data_10228_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10228
_Entry.PDB_ID 2EMZ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 SER HA H 8 4.438 4.692 -0.254 1
1 4 . 1 1 1 A 8 8 SER CA C 8 58.600 57.644 0.956 1
1 5 . 1 1 1 A 8 8 SER CB C 8 63.792 63.238 0.554 1
1 6 . 1 1 1 A 9 9 GLY H H 9 8.454 7.950 0.504 1
1 7 . 1 1 1 A 9 9 GLY HA2 H 9 3.938 4.181 -0.243 1
1 8 . 1 1 1 A 9 9 GLY HA3 H 9 3.938 4.186 -0.248 1
1 9 . 1 1 1 A 9 9 GLY CA C 9 45.227 45.040 0.187 1
1 10 . 1 1 1 A 9 9 GLY N N 9 110.842 109.753 1.089 1
1 11 . 1 1 1 A 10 10 GLU H H 10 8.211 8.885 -0.674 1
1 12 . 1 1 1 A 10 10 GLU HA H 10 4.206 4.652 -0.446 1
1 17 . 1 1 1 A 10 10 GLU CA C 10 56.709 56.297 0.412 1
1 18 . 1 1 1 A 10 10 GLU CB C 10 30.317 30.537 -0.220 1
1 20 . 1 1 1 A 10 10 GLU N N 10 120.029 125.725 -5.696 1
1 21 . 1 1 1 A 11 11 ARG HA H 11 4.425 4.751 -0.326 1
1 28 . 1 1 1 A 11 11 ARG CA C 11 53.417 53.486 -0.069 1
1 29 . 1 1 1 A 11 11 ARG CB C 11 29.953 30.872 -0.919 1
1 32 . 1 1 1 A 11 11 ARG N N 11 117.766 124.004 -6.238 1
1 33 . 1 1 1 A 12 12 PRO HA H 12 4.203 4.479 -0.276 1
1 40 . 1 1 1 A 12 12 PRO C C 12 176.483 176.376 0.107 1
1 41 . 1 1 1 A 12 12 PRO CA C 12 63.898 64.799 -0.901 1
1 42 . 1 1 1 A 12 12 PRO CB C 12 32.127 32.388 -0.261 1
1 45 . 1 1 1 A 13 13 PHE H H 13 7.791 7.291 0.500 1
1 46 . 1 1 1 A 13 13 PHE HA H 13 4.757 5.343 -0.586 1
1 54 . 1 1 1 A 13 13 PHE C C 13 174.511 174.411 0.100 1
1 55 . 1 1 1 A 13 13 PHE CA C 13 56.893 56.433 0.460 1
1 56 . 1 1 1 A 13 13 PHE CB C 13 39.090 42.473 -3.383 1
1 62 . 1 1 1 A 13 13 PHE N N 13 118.173 118.185 -0.012 1
1 63 . 1 1 1 A 14 14 LYS H H 14 8.611 8.678 -0.067 1
1 64 . 1 1 1 A 14 14 LYS HA H 14 5.071 4.773 0.298 1
1 73 . 1 1 1 A 14 14 LYS C C 14 175.322 174.312 1.010 1
1 74 . 1 1 1 A 14 14 LYS CA C 14 55.006 55.843 -0.837 1
1 75 . 1 1 1 A 14 14 LYS CB C 14 35.258 36.757 -1.499 1
1 79 . 1 1 1 A 14 14 LYS N N 14 124.455 120.873 3.582 1
1 80 . 1 1 1 A 15 15 CYS H H 15 9.115 9.195 -0.080 1
1 81 . 1 1 1 A 15 15 CYS HA H 15 4.549 4.807 -0.258 1
1 84 . 1 1 1 A 15 15 CYS C C 15 177.457 175.800 1.657 1
1 85 . 1 1 1 A 15 15 CYS CA C 15 59.450 58.421 1.029 1
1 86 . 1 1 1 A 15 15 CYS CB C 15 29.959 29.510 0.449 1
1 87 . 1 1 1 A 15 15 CYS N N 15 125.796 124.257 1.539 1
1 88 . 1 1 1 A 16 16 ASN H H 16 9.439 9.212 0.227 1
1 89 . 1 1 1 A 16 16 ASN HA H 16 4.552 4.661 -0.109 1
1 94 . 1 1 1 A 16 16 ASN C C 16 175.327 177.445 -2.118 1
1 95 . 1 1 1 A 16 16 ASN CA C 16 55.429 55.081 0.348 1
1 96 . 1 1 1 A 16 16 ASN CB C 16 38.518 38.655 -0.137 1
1 97 . 1 1 1 A 16 16 ASN N N 16 130.041 126.278 3.763 1
1 99 . 1 1 1 A 17 17 GLU H H 17 9.013 7.831 1.182 1
1 100 . 1 1 1 A 17 17 GLU HA H 17 4.244 3.976 0.268 1
1 105 . 1 1 1 A 17 17 GLU C C 17 177.345 178.140 -0.795 1
1 106 . 1 1 1 A 17 17 GLU CA C 17 58.195 58.787 -0.592 1
1 107 . 1 1 1 A 17 17 GLU CB C 17 29.394 29.120 0.274 1
1 109 . 1 1 1 A 17 17 GLU N N 17 121.584 119.686 1.898 1
1 110 . 1 1 1 A 18 18 CYS H H 18 8.410 7.440 0.970 1
1 111 . 1 1 1 A 18 18 CYS HA H 18 5.193 4.725 0.468 1
1 114 . 1 1 1 A 18 18 CYS C C 18 176.413 175.503 0.910 1
1 115 . 1 1 1 A 18 18 CYS CA C 18 58.391 59.794 -1.403 1
1 116 . 1 1 1 A 18 18 CYS CB C 18 32.346 29.945 2.401 1
1 117 . 1 1 1 A 18 18 CYS N N 18 116.182 115.038 1.144 1
1 118 . 1 1 1 A 19 19 GLY H H 19 8.045 7.999 0.046 1
1 119 . 1 1 1 A 19 19 GLY HA2 H 19 4.260 4.098 0.162 1
1 120 . 1 1 1 A 19 19 GLY HA3 H 19 3.829 4.106 -0.277 1
1 121 . 1 1 1 A 19 19 GLY C C 19 173.661 174.647 -0.986 1
1 122 . 1 1 1 A 19 19 GLY CA C 19 46.298 44.931 1.367 1
1 123 . 1 1 1 A 19 19 GLY N N 19 113.361 109.736 3.625 1
1 124 . 1 1 1 A 20 20 LYS H H 20 7.930 7.643 0.287 1
1 125 . 1 1 1 A 20 20 LYS HA H 20 3.967 4.201 -0.234 1
1 134 . 1 1 1 A 20 20 LYS C C 20 174.605 175.594 -0.989 1
1 135 . 1 1 1 A 20 20 LYS CA C 20 58.241 56.279 1.962 1
1 136 . 1 1 1 A 20 20 LYS CB C 20 33.836 33.121 0.715 1
1 140 . 1 1 1 A 20 20 LYS N N 20 123.055 122.720 0.335 1
1 141 . 1 1 1 A 21 21 GLY H H 21 8.013 8.355 -0.342 1
1 142 . 1 1 1 A 21 21 GLY HA2 H 21 4.880 4.218 0.662 1
1 143 . 1 1 1 A 21 21 GLY HA3 H 21 3.336 4.352 -1.016 1
1 144 . 1 1 1 A 21 21 GLY CA C 21 44.008 43.893 0.115 1
1 145 . 1 1 1 A 21 21 GLY N N 21 108.426 112.186 -3.760 1
1 146 . 1 1 1 A 22 22 PHE H H 22 8.731 8.766 -0.035 1
1 147 . 1 1 1 A 22 22 PHE HA H 22 4.731 5.132 -0.401 1
1 155 . 1 1 1 A 22 22 PHE CA C 22 57.510 56.529 0.981 1
1 156 . 1 1 1 A 22 22 PHE CB C 22 44.105 43.533 0.572 1
1 162 . 1 1 1 A 22 22 PHE N N 22 117.792 120.190 -2.398 1
1 163 . 1 1 1 A 23 23 GLY HA2 H 23 4.454 3.954 0.500 1
1 164 . 1 1 1 A 23 23 GLY HA3 H 23 4.094 3.958 0.136 1
1 165 . 1 1 1 A 23 23 GLY CA C 23 45.710 47.261 -1.551 1
1 166 . 1 1 1 A 23 23 GLY N N 23 109.000 110.280 -1.280 1
1 167 . 1 1 1 A 24 24 ARG H H 24 7.197 7.973 -0.776 1
1 168 . 1 1 1 A 24 24 ARG HA H 24 4.743 4.518 0.225 1
1 175 . 1 1 1 A 24 24 ARG CA C 24 53.655 54.258 -0.603 1
1 176 . 1 1 1 A 24 24 ARG CB C 24 33.460 31.579 1.881 1
1 179 . 1 1 1 A 24 24 ARG N N 24 114.927 119.494 -4.567 1
1 180 . 1 1 1 A 25 25 ARG HA H 25 2.980 2.687 0.293 1
1 187 . 1 1 1 A 25 25 ARG CA C 25 59.693 58.761 0.932 1
1 188 . 1 1 1 A 25 25 ARG CB C 25 29.253 30.078 -0.825 1
1 191 . 1 1 1 A 26 26 SER HA H 26 4.092 4.058 0.034 1
1 194 . 1 1 1 A 26 26 SER C C 26 177.471 176.435 1.036 1
1 195 . 1 1 1 A 26 26 SER CA C 26 60.832 62.122 -1.290 1
1 196 . 1 1 1 A 26 26 SER CB C 26 61.616 63.155 -1.539 1
1 197 . 1 1 1 A 26 26 SER N N 26 120.568 115.151 5.417 1
1 198 . 1 1 1 A 27 27 HIS H H 27 6.799 7.483 -0.684 1
1 199 . 1 1 1 A 27 27 HIS HA H 27 4.556 4.228 0.328 1
1 204 . 1 1 1 A 27 27 HIS C C 27 178.281 177.323 0.958 1
1 205 . 1 1 1 A 27 27 HIS CA C 27 56.589 59.233 -2.644 1
1 206 . 1 1 1 A 27 27 HIS CB C 27 31.722 29.764 1.958 1
1 209 . 1 1 1 A 27 27 HIS N N 27 122.717 119.048 3.669 1
1 210 . 1 1 1 A 28 28 LEU H H 28 7.026 7.948 -0.922 1
1 211 . 1 1 1 A 28 28 LEU HA H 28 3.249 2.723 0.526 1
1 221 . 1 1 1 A 28 28 LEU C C 28 177.146 177.667 -0.521 1
1 222 . 1 1 1 A 28 28 LEU CA C 28 57.742 56.930 0.812 1
1 223 . 1 1 1 A 28 28 LEU CB C 28 40.422 42.092 -1.670 1
1 227 . 1 1 1 A 28 28 LEU N N 28 121.528 120.769 0.759 1
1 228 . 1 1 1 A 29 29 ALA H H 29 8.188 8.432 -0.244 1
1 229 . 1 1 1 A 29 29 ALA HA H 29 3.979 4.042 -0.063 1
1 233 . 1 1 1 A 29 29 ALA C C 29 180.981 180.249 0.732 1
1 234 . 1 1 1 A 29 29 ALA CA C 29 55.545 55.454 0.091 1
1 235 . 1 1 1 A 29 29 ALA CB C 29 17.763 18.492 -0.729 1
1 236 . 1 1 1 A 29 29 ALA N N 29 120.526 120.594 -0.068 1
1 237 . 1 1 1 A 30 30 GLY H H 30 7.724 7.916 -0.192 1
1 238 . 1 1 1 A 30 30 GLY HA2 H 30 3.886 3.593 0.293 1
1 239 . 1 1 1 A 30 30 GLY HA3 H 30 3.785 3.611 0.174 1
1 240 . 1 1 1 A 30 30 GLY C C 30 175.878 175.584 0.294 1
1 241 . 1 1 1 A 30 30 GLY CA C 30 46.909 47.099 -0.190 1
1 242 . 1 1 1 A 30 30 GLY N N 30 103.375 106.524 -3.149 1
1 243 . 1 1 1 A 31 31 HIS H H 31 7.499 8.277 -0.778 1
1 244 . 1 1 1 A 31 31 HIS HA H 31 4.195 4.148 0.047 1
1 249 . 1 1 1 A 31 31 HIS C C 31 176.680 176.320 0.360 1
1 250 . 1 1 1 A 31 31 HIS CA C 31 59.232 59.072 0.160 1
1 251 . 1 1 1 A 31 31 HIS CB C 31 28.775 30.135 -1.360 1
1 254 . 1 1 1 A 31 31 HIS N N 31 122.268 121.843 0.425 1
1 255 . 1 1 1 A 32 32 LEU H H 32 8.464 7.320 1.144 1
1 256 . 1 1 1 A 32 32 LEU HA H 32 3.900 4.324 -0.424 1
1 266 . 1 1 1 A 32 32 LEU C C 32 179.964 178.443 1.521 1
1 267 . 1 1 1 A 32 32 LEU CA C 32 58.183 55.697 2.486 1
1 268 . 1 1 1 A 32 32 LEU CB C 32 41.777 42.373 -0.596 1
1 272 . 1 1 1 A 32 32 LEU N N 32 118.124 118.746 -0.622 1
1 273 . 1 1 1 A 33 33 ARG H H 33 7.236 8.223 -0.987 1
1 274 . 1 1 1 A 33 33 ARG HA H 33 4.097 4.063 0.034 1
1 281 . 1 1 1 A 33 33 ARG C C 33 178.375 178.525 -0.150 1
1 282 . 1 1 1 A 33 33 ARG CA C 33 58.637 59.083 -0.446 1
1 283 . 1 1 1 A 33 33 ARG CB C 33 29.760 30.010 -0.250 1
1 286 . 1 1 1 A 33 33 ARG N N 33 117.491 119.471 -1.980 1
1 287 . 1 1 1 A 34 34 LEU H H 34 7.702 7.658 0.044 1
1 288 . 1 1 1 A 34 34 LEU HA H 34 4.031 4.026 0.005 1
1 298 . 1 1 1 A 34 34 LEU C C 34 178.952 177.722 1.230 1
1 299 . 1 1 1 A 34 34 LEU CA C 34 56.816 57.194 -0.378 1
1 300 . 1 1 1 A 34 34 LEU CB C 34 40.886 41.128 -0.242 1
1 304 . 1 1 1 A 34 34 LEU N N 34 118.773 116.757 2.016 1
1 305 . 1 1 1 A 35 35 HIS H H 35 7.172 7.939 -0.767 1
1 306 . 1 1 1 A 35 35 HIS HA H 35 4.721 4.542 0.179 1
1 311 . 1 1 1 A 35 35 HIS C C 35 175.730 175.984 -0.254 1
1 312 . 1 1 1 A 35 35 HIS CA C 35 55.788 57.847 -2.059 1
1 313 . 1 1 1 A 35 35 HIS CB C 35 28.787 29.160 -0.373 1
1 316 . 1 1 1 A 35 35 HIS N N 35 115.314 118.294 -2.980 1
1 317 . 1 1 1 A 36 36 SER H H 36 7.773 7.858 -0.085 1
1 318 . 1 1 1 A 36 36 SER HA H 36 4.410 4.593 -0.183 1
1 321 . 1 1 1 A 36 36 SER C C 36 175.092 176.483 -1.391 1
1 322 . 1 1 1 A 36 36 SER CA C 36 59.320 60.182 -0.862 1
1 323 . 1 1 1 A 36 36 SER CB C 36 63.614 64.277 -0.663 1
1 324 . 1 1 1 A 36 36 SER N N 36 114.851 114.977 -0.126 1
1 325 . 1 1 1 A 37 37 ARG H H 37 8.264 7.585 0.679 1
1 326 . 1 1 1 A 37 37 ARG HA H 37 4.340 4.100 0.240 1
1 333 . 1 1 1 A 37 37 ARG C C 37 176.804 176.983 -0.179 1
1 334 . 1 1 1 A 37 37 ARG CA C 37 56.665 59.097 -2.432 1
1 335 . 1 1 1 A 37 37 ARG CB C 37 30.544 30.101 0.443 1
1 338 . 1 1 1 A 37 37 ARG N N 37 122.680 118.936 3.744 1
1 339 . 1 1 1 A 38 38 GLU H H 38 8.236 7.853 0.383 1
1 340 . 1 1 1 A 38 38 GLU HA H 38 4.242 4.438 -0.196 1
1 345 . 1 1 1 A 38 38 GLU C C 38 176.807 177.151 -0.344 1
1 346 . 1 1 1 A 38 38 GLU CA C 38 56.861 55.723 1.138 1
1 347 . 1 1 1 A 38 38 GLU CB C 38 30.121 28.975 1.146 1
1 349 . 1 1 1 A 38 38 GLU N N 38 120.831 116.792 4.039 1
1 350 . 1 1 1 A 39 39 LYS H H 39 8.214 7.879 0.335 1
1 351 . 1 1 1 A 39 39 LYS HA H 39 4.337 4.227 0.110 1
1 360 . 1 1 1 A 39 39 LYS C C 39 176.749 177.194 -0.445 1
1 361 . 1 1 1 A 39 39 LYS CA C 39 56.498 58.123 -1.625 1
1 362 . 1 1 1 A 39 39 LYS CB C 39 32.926 33.045 -0.119 1
1 366 . 1 1 1 A 39 39 LYS N N 39 121.436 120.763 0.673 1
1 367 . 1 1 1 A 40 40 SER H H 40 8.282 7.689 0.593 1
1 368 . 1 1 1 A 40 40 SER HA H 40 4.471 4.463 0.008 1
1 371 . 1 1 1 A 40 40 SER C C 40 174.618 173.028 1.590 1
1 372 . 1 1 1 A 40 40 SER CA C 40 58.313 57.590 0.723 1
1 373 . 1 1 1 A 40 40 SER CB C 40 63.713 62.247 1.466 1
1 374 . 1 1 1 A 40 40 SER N N 40 116.652 114.844 1.808 1
1 375 . 1 1 1 A 41 41 SER H H 41 8.315 8.423 -0.108 1
1 376 . 1 1 1 A 41 41 SER HA H 41 4.505 5.112 -0.607 1
1 379 . 1 1 1 A 41 41 SER C C 41 174.491 174.204 0.287 1
1 380 . 1 1 1 A 41 41 SER CA C 41 58.298 56.823 1.475 1
1 381 . 1 1 1 A 41 41 SER CB C 41 63.977 65.386 -1.409 1
1 382 . 1 1 1 A 41 41 SER N N 41 117.808 119.123 -1.315 1
1 383 . 1 1 1 A 42 42 GLY H H 42 8.209 8.576 -0.367 1
1 384 . 1 1 1 A 42 42 GLY HA2 H 42 4.137 4.170 -0.033 1
1 385 . 1 1 1 A 42 42 GLY HA3 H 42 4.137 4.170 -0.033 1
1 386 . 1 1 1 A 42 42 GLY C C 42 171.766 174.668 -2.902 1
1 387 . 1 1 1 A 42 42 GLY CA C 42 44.693 45.391 -0.698 1
1 388 . 1 1 1 A 42 42 GLY N N 42 110.577 109.574 1.003 1
1 389 . 1 1 1 A 43 43 PRO HA H 43 4.477 4.462 0.015 1
1 396 . 1 1 1 A 43 43 PRO C C 43 177.379 176.514 0.865 1
1 397 . 1 1 1 A 43 43 PRO CA C 43 63.211 64.656 -1.445 1
1 398 . 1 1 1 A 43 43 PRO CB C 43 32.181 32.140 0.041 1
1 401 . 1 1 1 A 44 44 SER H H 44 8.517 7.652 0.865 1
1 402 . 1 1 1 A 44 44 SER C C 44 174.661 172.869 1.792 1
1 403 . 1 1 1 A 44 44 SER CA C 44 58.543 57.586 0.957 1
1 404 . 1 1 1 A 44 44 SER CB C 44 64.118 67.485 -3.367 1
1 1 . 2 1 1 A 8 8 SER HA H 8 4.438 4.720 -0.282 1
1 4 . 2 1 1 A 8 8 SER CA C 8 58.600 57.098 1.502 1
1 5 . 2 1 1 A 8 8 SER CB C 8 63.792 63.569 0.223 1
1 6 . 2 1 1 A 9 9 GLY H H 9 8.454 7.379 1.075 1
1 7 . 2 1 1 A 9 9 GLY HA2 H 9 3.938 4.091 -0.153 1
1 8 . 2 1 1 A 9 9 GLY HA3 H 9 3.938 4.105 -0.167 1
1 9 . 2 1 1 A 9 9 GLY CA C 9 45.227 44.780 0.447 1
1 10 . 2 1 1 A 9 9 GLY N N 9 110.842 109.349 1.493 1
1 11 . 2 1 1 A 10 10 GLU H H 10 8.211 8.550 -0.339 1
1 12 . 2 1 1 A 10 10 GLU HA H 10 4.206 4.619 -0.413 1
1 17 . 2 1 1 A 10 10 GLU CA C 10 56.709 55.938 0.771 1
1 18 . 2 1 1 A 10 10 GLU CB C 10 30.317 29.851 0.466 1
1 20 . 2 1 1 A 10 10 GLU N N 10 120.029 120.132 -0.103 1
1 21 . 2 1 1 A 11 11 ARG HA H 11 4.425 4.505 -0.080 1
1 28 . 2 1 1 A 11 11 ARG CA C 11 53.417 54.284 -0.867 1
1 29 . 2 1 1 A 11 11 ARG CB C 11 29.953 29.627 0.326 1
1 32 . 2 1 1 A 11 11 ARG N N 11 117.766 120.807 -3.041 1
1 33 . 2 1 1 A 12 12 PRO HA H 12 4.203 4.501 -0.298 1
1 40 . 2 1 1 A 12 12 PRO C C 12 176.483 176.402 0.081 1
1 41 . 2 1 1 A 12 12 PRO CA C 12 63.898 64.989 -1.091 1
1 42 . 2 1 1 A 12 12 PRO CB C 12 32.127 32.437 -0.310 1
1 45 . 2 1 1 A 13 13 PHE H H 13 7.791 7.557 0.234 1
1 46 . 2 1 1 A 13 13 PHE HA H 13 4.757 5.275 -0.518 1
1 54 . 2 1 1 A 13 13 PHE C C 13 174.511 174.497 0.014 1
1 55 . 2 1 1 A 13 13 PHE CA C 13 56.893 56.496 0.397 1
1 56 . 2 1 1 A 13 13 PHE CB C 13 39.090 42.265 -3.175 1
1 62 . 2 1 1 A 13 13 PHE N N 13 118.173 118.191 -0.018 1
1 63 . 2 1 1 A 14 14 LYS H H 14 8.611 8.724 -0.113 1
1 64 . 2 1 1 A 14 14 LYS HA H 14 5.071 5.233 -0.162 1
1 73 . 2 1 1 A 14 14 LYS C C 14 175.322 174.226 1.096 1
1 74 . 2 1 1 A 14 14 LYS CA C 14 55.006 55.539 -0.533 1
1 75 . 2 1 1 A 14 14 LYS CB C 14 35.258 36.949 -1.691 1
1 79 . 2 1 1 A 14 14 LYS N N 14 124.455 120.691 3.764 1
1 80 . 2 1 1 A 15 15 CYS H H 15 9.115 9.207 -0.092 1
1 81 . 2 1 1 A 15 15 CYS HA H 15 4.549 4.871 -0.322 1
1 84 . 2 1 1 A 15 15 CYS C C 15 177.457 176.285 1.172 1
1 85 . 2 1 1 A 15 15 CYS CA C 15 59.450 57.950 1.500 1
1 86 . 2 1 1 A 15 15 CYS CB C 15 29.959 30.190 -0.231 1
1 87 . 2 1 1 A 15 15 CYS N N 15 125.796 123.984 1.812 1
1 88 . 2 1 1 A 16 16 ASN H H 16 9.439 9.377 0.062 1
1 89 . 2 1 1 A 16 16 ASN HA H 16 4.552 5.068 -0.516 1
1 94 . 2 1 1 A 16 16 ASN C C 16 175.327 175.708 -0.381 1
1 95 . 2 1 1 A 16 16 ASN CA C 16 55.429 53.270 2.159 1
1 96 . 2 1 1 A 16 16 ASN CB C 16 38.518 38.766 -0.248 1
1 97 . 2 1 1 A 16 16 ASN N N 16 130.041 126.968 3.073 1
1 99 . 2 1 1 A 17 17 GLU H H 17 9.013 7.537 1.476 1
1 100 . 2 1 1 A 17 17 GLU HA H 17 4.244 4.446 -0.202 1
1 105 . 2 1 1 A 17 17 GLU C C 17 177.345 177.851 -0.506 1
1 106 . 2 1 1 A 17 17 GLU CA C 17 58.195 57.338 0.857 1
1 107 . 2 1 1 A 17 17 GLU CB C 17 29.394 31.287 -1.893 1
1 109 . 2 1 1 A 17 17 GLU N N 17 121.584 118.157 3.427 1
1 110 . 2 1 1 A 18 18 CYS H H 18 8.410 7.630 0.780 1
1 111 . 2 1 1 A 18 18 CYS HA H 18 5.193 4.714 0.479 1
1 114 . 2 1 1 A 18 18 CYS C C 18 176.413 175.445 0.968 1
1 115 . 2 1 1 A 18 18 CYS CA C 18 58.391 59.753 -1.362 1
1 116 . 2 1 1 A 18 18 CYS CB C 18 32.346 29.991 2.355 1
1 117 . 2 1 1 A 18 18 CYS N N 18 116.182 114.885 1.297 1
1 118 . 2 1 1 A 19 19 GLY H H 19 8.045 8.003 0.042 1
1 119 . 2 1 1 A 19 19 GLY HA2 H 19 4.260 4.099 0.161 1
1 120 . 2 1 1 A 19 19 GLY HA3 H 19 3.829 4.105 -0.276 1
1 121 . 2 1 1 A 19 19 GLY C C 19 173.661 174.588 -0.927 1
1 122 . 2 1 1 A 19 19 GLY CA C 19 46.298 45.011 1.287 1
1 123 . 2 1 1 A 19 19 GLY N N 19 113.361 109.810 3.551 1
1 124 . 2 1 1 A 20 20 LYS H H 20 7.930 7.462 0.468 1
1 125 . 2 1 1 A 20 20 LYS HA H 20 3.967 4.284 -0.317 1
1 134 . 2 1 1 A 20 20 LYS C C 20 174.605 175.733 -1.128 1
1 135 . 2 1 1 A 20 20 LYS CA C 20 58.241 56.036 2.205 1
1 136 . 2 1 1 A 20 20 LYS CB C 20 33.836 33.532 0.304 1
1 140 . 2 1 1 A 20 20 LYS N N 20 123.055 122.200 0.855 1
1 141 . 2 1 1 A 21 21 GLY H H 21 8.013 8.141 -0.128 1
1 142 . 2 1 1 A 21 21 GLY HA2 H 21 4.880 4.306 0.574 1
1 143 . 2 1 1 A 21 21 GLY HA3 H 21 3.336 4.449 -1.113 1
1 144 . 2 1 1 A 21 21 GLY CA C 21 44.008 44.122 -0.114 1
1 145 . 2 1 1 A 21 21 GLY N N 21 108.426 111.335 -2.909 1
1 146 . 2 1 1 A 22 22 PHE H H 22 8.731 9.018 -0.287 1
1 147 . 2 1 1 A 22 22 PHE HA H 22 4.731 5.179 -0.448 1
1 155 . 2 1 1 A 22 22 PHE CA C 22 57.510 56.427 1.083 1
1 156 . 2 1 1 A 22 22 PHE CB C 22 44.105 43.664 0.441 1
1 162 . 2 1 1 A 22 22 PHE N N 22 117.792 121.355 -3.563 1
1 163 . 2 1 1 A 23 23 GLY HA2 H 23 4.454 3.931 0.523 1
1 164 . 2 1 1 A 23 23 GLY HA3 H 23 4.094 3.938 0.156 1
1 165 . 2 1 1 A 23 23 GLY CA C 23 45.710 46.778 -1.068 1
1 166 . 2 1 1 A 23 23 GLY N N 23 109.000 110.323 -1.323 1
1 167 . 2 1 1 A 24 24 ARG H H 24 7.197 7.782 -0.585 1
1 168 . 2 1 1 A 24 24 ARG HA H 24 4.743 4.363 0.380 1
1 175 . 2 1 1 A 24 24 ARG CA C 24 53.655 54.480 -0.825 1
1 176 . 2 1 1 A 24 24 ARG CB C 24 33.460 31.451 2.009 1
1 179 . 2 1 1 A 24 24 ARG N N 24 114.927 119.752 -4.825 1
1 180 . 2 1 1 A 25 25 ARG HA H 25 2.980 3.030 -0.050 1
1 187 . 2 1 1 A 25 25 ARG CA C 25 59.693 59.412 0.281 1
1 188 . 2 1 1 A 25 25 ARG CB C 25 29.253 30.102 -0.849 1
1 191 . 2 1 1 A 26 26 SER HA H 26 4.092 4.115 -0.023 1
1 194 . 2 1 1 A 26 26 SER C C 26 177.471 177.104 0.367 1
1 195 . 2 1 1 A 26 26 SER CA C 26 60.832 61.278 -0.446 1
1 196 . 2 1 1 A 26 26 SER CB C 26 61.616 62.286 -0.670 1
1 197 . 2 1 1 A 26 26 SER N N 26 120.568 114.361 6.207 1
1 198 . 2 1 1 A 27 27 HIS H H 27 6.799 7.583 -0.784 1
1 199 . 2 1 1 A 27 27 HIS HA H 27 4.556 4.240 0.316 1
1 204 . 2 1 1 A 27 27 HIS C C 27 178.281 177.584 0.697 1
1 205 . 2 1 1 A 27 27 HIS CA C 27 56.589 59.169 -2.580 1
1 206 . 2 1 1 A 27 27 HIS CB C 27 31.722 29.673 2.049 1
1 209 . 2 1 1 A 27 27 HIS N N 27 122.717 118.917 3.800 1
1 210 . 2 1 1 A 28 28 LEU H H 28 7.026 7.697 -0.671 1
1 211 . 2 1 1 A 28 28 LEU HA H 28 3.249 2.772 0.477 1
1 221 . 2 1 1 A 28 28 LEU C C 28 177.146 177.743 -0.597 1
1 222 . 2 1 1 A 28 28 LEU CA C 28 57.742 56.777 0.965 1
1 223 . 2 1 1 A 28 28 LEU CB C 28 40.422 42.191 -1.769 1
1 227 . 2 1 1 A 28 28 LEU N N 28 121.528 120.739 0.789 1
1 228 . 2 1 1 A 29 29 ALA H H 29 8.188 8.606 -0.418 1
1 229 . 2 1 1 A 29 29 ALA HA H 29 3.979 4.037 -0.058 1
1 233 . 2 1 1 A 29 29 ALA C C 29 180.981 180.356 0.625 1
1 234 . 2 1 1 A 29 29 ALA CA C 29 55.545 55.518 0.027 1
1 235 . 2 1 1 A 29 29 ALA CB C 29 17.763 18.297 -0.534 1
1 236 . 2 1 1 A 29 29 ALA N N 29 120.526 120.985 -0.459 1
1 237 . 2 1 1 A 30 30 GLY H H 30 7.724 7.998 -0.274 1
1 238 . 2 1 1 A 30 30 GLY HA2 H 30 3.886 3.622 0.264 1
1 239 . 2 1 1 A 30 30 GLY HA3 H 30 3.785 3.638 0.147 1
1 240 . 2 1 1 A 30 30 GLY C C 30 175.878 175.665 0.213 1
1 241 . 2 1 1 A 30 30 GLY CA C 30 46.909 47.089 -0.180 1
1 242 . 2 1 1 A 30 30 GLY N N 30 103.375 106.283 -2.908 1
1 243 . 2 1 1 A 31 31 HIS H H 31 7.499 8.255 -0.756 1
1 244 . 2 1 1 A 31 31 HIS HA H 31 4.195 4.122 0.073 1
1 249 . 2 1 1 A 31 31 HIS C C 31 176.680 176.678 0.002 1
1 250 . 2 1 1 A 31 31 HIS CA C 31 59.232 59.072 0.160 1
1 251 . 2 1 1 A 31 31 HIS CB C 31 28.775 30.125 -1.350 1
1 254 . 2 1 1 A 31 31 HIS N N 31 122.268 121.810 0.458 1
1 255 . 2 1 1 A 32 32 LEU H H 32 8.464 7.360 1.104 1
1 256 . 2 1 1 A 32 32 LEU HA H 32 3.900 4.268 -0.368 1
1 266 . 2 1 1 A 32 32 LEU C C 32 179.964 178.665 1.299 1
1 267 . 2 1 1 A 32 32 LEU CA C 32 58.183 56.627 1.556 1
1 268 . 2 1 1 A 32 32 LEU CB C 32 41.777 42.145 -0.368 1
1 272 . 2 1 1 A 32 32 LEU N N 32 118.124 118.666 -0.542 1
1 273 . 2 1 1 A 33 33 ARG H H 33 7.236 7.774 -0.538 1
1 274 . 2 1 1 A 33 33 ARG HA H 33 4.097 3.952 0.145 1
1 281 . 2 1 1 A 33 33 ARG C C 33 178.375 178.817 -0.442 1
1 282 . 2 1 1 A 33 33 ARG CA C 33 58.637 59.946 -1.309 1
1 283 . 2 1 1 A 33 33 ARG CB C 33 29.760 29.903 -0.143 1
1 286 . 2 1 1 A 33 33 ARG N N 33 117.491 119.292 -1.801 1
1 287 . 2 1 1 A 34 34 LEU H H 34 7.702 7.634 0.068 1
1 288 . 2 1 1 A 34 34 LEU HA H 34 4.031 3.990 0.041 1
1 298 . 2 1 1 A 34 34 LEU C C 34 178.952 179.092 -0.140 1
1 299 . 2 1 1 A 34 34 LEU CA C 34 56.816 57.857 -1.041 1
1 300 . 2 1 1 A 34 34 LEU CB C 34 40.886 40.951 -0.065 1
1 304 . 2 1 1 A 34 34 LEU N N 34 118.773 118.050 0.723 1
1 305 . 2 1 1 A 35 35 HIS H H 35 7.172 8.052 -0.880 1
1 306 . 2 1 1 A 35 35 HIS HA H 35 4.721 4.358 0.363 1
1 311 . 2 1 1 A 35 35 HIS C C 35 175.730 176.166 -0.436 1
1 312 . 2 1 1 A 35 35 HIS CA C 35 55.788 59.392 -3.604 1
1 313 . 2 1 1 A 35 35 HIS CB C 35 28.787 29.608 -0.821 1
1 316 . 2 1 1 A 35 35 HIS N N 35 115.314 118.824 -3.510 1
1 317 . 2 1 1 A 36 36 SER H H 36 7.773 7.751 0.022 1
1 318 . 2 1 1 A 36 36 SER HA H 36 4.410 4.242 0.168 1
1 321 . 2 1 1 A 36 36 SER C C 36 175.092 175.102 -0.010 1
1 322 . 2 1 1 A 36 36 SER CA C 36 59.320 58.849 0.471 1
1 323 . 2 1 1 A 36 36 SER CB C 36 63.614 62.805 0.809 1
1 324 . 2 1 1 A 36 36 SER N N 36 114.851 112.467 2.384 1
1 325 . 2 1 1 A 37 37 ARG H H 37 8.264 7.900 0.364 1
1 326 . 2 1 1 A 37 37 ARG HA H 37 4.340 4.545 -0.205 1
1 333 . 2 1 1 A 37 37 ARG C C 37 176.804 176.539 0.265 1
1 334 . 2 1 1 A 37 37 ARG CA C 37 56.665 56.665 0.000 1
1 335 . 2 1 1 A 37 37 ARG CB C 37 30.544 32.045 -1.501 1
1 338 . 2 1 1 A 37 37 ARG N N 37 122.680 119.263 3.417 1
1 339 . 2 1 1 A 38 38 GLU H H 38 8.236 8.116 0.120 1
1 340 . 2 1 1 A 38 38 GLU HA H 38 4.242 4.480 -0.238 1
1 345 . 2 1 1 A 38 38 GLU C C 38 176.807 175.760 1.047 1
1 346 . 2 1 1 A 38 38 GLU CA C 38 56.861 55.631 1.230 1
1 347 . 2 1 1 A 38 38 GLU CB C 38 30.121 29.344 0.777 1
1 349 . 2 1 1 A 38 38 GLU N N 38 120.831 115.901 4.930 1
1 350 . 2 1 1 A 39 39 LYS H H 39 8.214 8.035 0.179 1
1 351 . 2 1 1 A 39 39 LYS HA H 39 4.337 4.815 -0.478 1
1 360 . 2 1 1 A 39 39 LYS C C 39 176.749 176.087 0.662 1
1 361 . 2 1 1 A 39 39 LYS CA C 39 56.498 54.839 1.659 1
1 362 . 2 1 1 A 39 39 LYS CB C 39 32.926 34.952 -2.026 1
1 366 . 2 1 1 A 39 39 LYS N N 39 121.436 122.400 -0.964 1
1 367 . 2 1 1 A 40 40 SER H H 40 8.282 8.742 -0.460 1
1 368 . 2 1 1 A 40 40 SER HA H 40 4.471 4.566 -0.095 1
1 371 . 2 1 1 A 40 40 SER C C 40 174.618 173.925 0.693 1
1 372 . 2 1 1 A 40 40 SER CA C 40 58.313 58.564 -0.251 1
1 373 . 2 1 1 A 40 40 SER CB C 40 63.713 64.034 -0.321 1
1 374 . 2 1 1 A 40 40 SER N N 40 116.652 120.486 -3.834 1
1 375 . 2 1 1 A 41 41 SER H H 41 8.315 8.664 -0.349 1
1 376 . 2 1 1 A 41 41 SER HA H 41 4.505 4.770 -0.265 1
1 379 . 2 1 1 A 41 41 SER C C 41 174.491 174.227 0.264 1
1 380 . 2 1 1 A 41 41 SER CA C 41 58.298 56.616 1.682 1
1 381 . 2 1 1 A 41 41 SER CB C 41 63.977 63.993 -0.016 1
1 382 . 2 1 1 A 41 41 SER N N 41 117.808 119.371 -1.563 1
1 383 . 2 1 1 A 42 42 GLY H H 42 8.209 8.154 0.055 1
1 384 . 2 1 1 A 42 42 GLY HA2 H 42 4.137 4.097 0.040 1
1 385 . 2 1 1 A 42 42 GLY HA3 H 42 4.137 4.097 0.040 1
1 386 . 2 1 1 A 42 42 GLY C C 42 171.766 173.545 -1.779 1
1 387 . 2 1 1 A 42 42 GLY CA C 42 44.693 45.117 -0.424 1
1 388 . 2 1 1 A 42 42 GLY N N 42 110.577 114.759 -4.182 1
1 389 . 2 1 1 A 43 43 PRO HA H 43 4.477 4.748 -0.271 1
1 396 . 2 1 1 A 43 43 PRO C C 43 177.379 176.390 0.989 1
1 397 . 2 1 1 A 43 43 PRO CA C 43 63.211 62.240 0.971 1
1 398 . 2 1 1 A 43 43 PRO CB C 43 32.181 29.837 2.344 1
1 401 . 2 1 1 A 44 44 SER H H 44 8.517 8.611 -0.094 1
1 402 . 2 1 1 A 44 44 SER C C 44 174.661 174.273 0.388 1
1 403 . 2 1 1 A 44 44 SER CA C 44 58.543 60.308 -1.765 1
1 404 . 2 1 1 A 44 44 SER CB C 44 64.118 63.871 0.247 1
1 1 . 3 1 1 A 8 8 SER HA H 8 4.438 4.869 -0.431 1
1 4 . 3 1 1 A 8 8 SER CA C 8 58.600 57.039 1.561 1
1 5 . 3 1 1 A 8 8 SER CB C 8 63.792 63.760 0.032 1
1 6 . 3 1 1 A 9 9 GLY H H 9 8.454 8.182 0.272 1
1 7 . 3 1 1 A 9 9 GLY HA2 H 9 3.938 4.168 -0.230 1
1 8 . 3 1 1 A 9 9 GLY HA3 H 9 3.938 4.170 -0.232 1
1 9 . 3 1 1 A 9 9 GLY CA C 9 45.227 44.776 0.451 1
1 10 . 3 1 1 A 9 9 GLY N N 9 110.842 114.924 -4.082 1
1 11 . 3 1 1 A 10 10 GLU H H 10 8.211 8.551 -0.340 1
1 12 . 3 1 1 A 10 10 GLU HA H 10 4.206 4.300 -0.094 1
1 17 . 3 1 1 A 10 10 GLU CA C 10 56.709 56.963 -0.254 1
1 18 . 3 1 1 A 10 10 GLU CB C 10 30.317 30.460 -0.143 1
1 20 . 3 1 1 A 10 10 GLU N N 10 120.029 124.393 -4.364 1
1 21 . 3 1 1 A 11 11 ARG HA H 11 4.425 4.335 0.090 1
1 28 . 3 1 1 A 11 11 ARG CA C 11 53.417 54.831 -1.414 1
1 29 . 3 1 1 A 11 11 ARG CB C 11 29.953 30.101 -0.148 1
1 32 . 3 1 1 A 11 11 ARG N N 11 117.766 122.718 -4.952 1
1 33 . 3 1 1 A 12 12 PRO HA H 12 4.203 4.321 -0.118 1
1 40 . 3 1 1 A 12 12 PRO C C 12 176.483 176.099 0.384 1
1 41 . 3 1 1 A 12 12 PRO CA C 12 63.898 64.576 -0.678 1
1 42 . 3 1 1 A 12 12 PRO CB C 12 32.127 32.101 0.026 1
1 45 . 3 1 1 A 13 13 PHE H H 13 7.791 7.658 0.133 1
1 46 . 3 1 1 A 13 13 PHE HA H 13 4.757 5.296 -0.539 1
1 54 . 3 1 1 A 13 13 PHE C C 13 174.511 174.347 0.164 1
1 55 . 3 1 1 A 13 13 PHE CA C 13 56.893 56.206 0.687 1
1 56 . 3 1 1 A 13 13 PHE CB C 13 39.090 43.585 -4.495 1
1 62 . 3 1 1 A 13 13 PHE N N 13 118.173 117.842 0.331 1
1 63 . 3 1 1 A 14 14 LYS H H 14 8.611 8.835 -0.224 1
1 64 . 3 1 1 A 14 14 LYS HA H 14 5.071 4.940 0.131 1
1 73 . 3 1 1 A 14 14 LYS C C 14 175.322 173.493 1.829 1
1 74 . 3 1 1 A 14 14 LYS CA C 14 55.006 55.631 -0.625 1
1 75 . 3 1 1 A 14 14 LYS CB C 14 35.258 36.819 -1.561 1
1 79 . 3 1 1 A 14 14 LYS N N 14 124.455 120.273 4.182 1
1 80 . 3 1 1 A 15 15 CYS H H 15 9.115 8.635 0.480 1
1 81 . 3 1 1 A 15 15 CYS HA H 15 4.549 4.982 -0.433 1
1 84 . 3 1 1 A 15 15 CYS C C 15 177.457 175.722 1.735 1
1 85 . 3 1 1 A 15 15 CYS CA C 15 59.450 57.243 2.207 1
1 86 . 3 1 1 A 15 15 CYS CB C 15 29.959 30.708 -0.749 1
1 87 . 3 1 1 A 15 15 CYS N N 15 125.796 123.337 2.459 1
1 88 . 3 1 1 A 16 16 ASN H H 16 9.439 9.277 0.162 1
1 89 . 3 1 1 A 16 16 ASN HA H 16 4.552 4.600 -0.048 1
1 94 . 3 1 1 A 16 16 ASN C C 16 175.327 177.003 -1.676 1
1 95 . 3 1 1 A 16 16 ASN CA C 16 55.429 55.181 0.248 1
1 96 . 3 1 1 A 16 16 ASN CB C 16 38.518 38.458 0.060 1
1 97 . 3 1 1 A 16 16 ASN N N 16 130.041 126.961 3.080 1
1 99 . 3 1 1 A 17 17 GLU H H 17 9.013 7.580 1.433 1
1 100 . 3 1 1 A 17 17 GLU HA H 17 4.244 4.009 0.235 1
1 105 . 3 1 1 A 17 17 GLU C C 17 177.345 178.093 -0.748 1
1 106 . 3 1 1 A 17 17 GLU CA C 17 58.195 58.757 -0.562 1
1 107 . 3 1 1 A 17 17 GLU CB C 17 29.394 29.566 -0.172 1
1 109 . 3 1 1 A 17 17 GLU N N 17 121.584 118.322 3.262 1
1 110 . 3 1 1 A 18 18 CYS H H 18 8.410 7.478 0.932 1
1 111 . 3 1 1 A 18 18 CYS HA H 18 5.193 4.708 0.485 1
1 114 . 3 1 1 A 18 18 CYS C C 18 176.413 175.434 0.979 1
1 115 . 3 1 1 A 18 18 CYS CA C 18 58.391 59.860 -1.469 1
1 116 . 3 1 1 A 18 18 CYS CB C 18 32.346 29.935 2.411 1
1 117 . 3 1 1 A 18 18 CYS N N 18 116.182 115.073 1.109 1
1 118 . 3 1 1 A 19 19 GLY H H 19 8.045 8.003 0.042 1
1 119 . 3 1 1 A 19 19 GLY HA2 H 19 4.260 4.100 0.160 1
1 120 . 3 1 1 A 19 19 GLY HA3 H 19 3.829 4.111 -0.282 1
1 121 . 3 1 1 A 19 19 GLY C C 19 173.661 174.637 -0.976 1
1 122 . 3 1 1 A 19 19 GLY CA C 19 46.298 44.953 1.345 1
1 123 . 3 1 1 A 19 19 GLY N N 19 113.361 109.791 3.570 1
1 124 . 3 1 1 A 20 20 LYS H H 20 7.930 7.598 0.332 1
1 125 . 3 1 1 A 20 20 LYS HA H 20 3.967 4.263 -0.296 1
1 134 . 3 1 1 A 20 20 LYS C C 20 174.605 175.900 -1.295 1
1 135 . 3 1 1 A 20 20 LYS CA C 20 58.241 56.004 2.237 1
1 136 . 3 1 1 A 20 20 LYS CB C 20 33.836 33.008 0.828 1
1 140 . 3 1 1 A 20 20 LYS N N 20 123.055 122.629 0.426 1
1 141 . 3 1 1 A 21 21 GLY H H 21 8.013 8.626 -0.613 1
1 142 . 3 1 1 A 21 21 GLY HA2 H 21 4.880 4.231 0.649 1
1 143 . 3 1 1 A 21 21 GLY HA3 H 21 3.336 4.368 -1.032 1
1 144 . 3 1 1 A 21 21 GLY CA C 21 44.008 44.040 -0.032 1
1 145 . 3 1 1 A 21 21 GLY N N 21 108.426 112.830 -4.404 1
1 146 . 3 1 1 A 22 22 PHE H H 22 8.731 9.024 -0.293 1
1 147 . 3 1 1 A 22 22 PHE HA H 22 4.731 5.094 -0.363 1
1 155 . 3 1 1 A 22 22 PHE CA C 22 57.510 56.314 1.196 1
1 156 . 3 1 1 A 22 22 PHE CB C 22 44.105 43.204 0.901 1
1 162 . 3 1 1 A 22 22 PHE N N 22 117.792 121.765 -3.973 1
1 163 . 3 1 1 A 23 23 GLY HA2 H 23 4.454 3.921 0.533 1
1 164 . 3 1 1 A 23 23 GLY HA3 H 23 4.094 3.954 0.140 1
1 165 . 3 1 1 A 23 23 GLY CA C 23 45.710 46.737 -1.027 1
1 166 . 3 1 1 A 23 23 GLY N N 23 109.000 110.318 -1.318 1
1 167 . 3 1 1 A 24 24 ARG H H 24 7.197 7.673 -0.476 1
1 168 . 3 1 1 A 24 24 ARG HA H 24 4.743 4.579 0.164 1
1 175 . 3 1 1 A 24 24 ARG CA C 24 53.655 54.492 -0.837 1
1 176 . 3 1 1 A 24 24 ARG CB C 24 33.460 31.464 1.996 1
1 179 . 3 1 1 A 24 24 ARG N N 24 114.927 119.721 -4.794 1
1 180 . 3 1 1 A 25 25 ARG HA H 25 2.980 2.798 0.182 1
1 187 . 3 1 1 A 25 25 ARG CA C 25 59.693 58.958 0.735 1
1 188 . 3 1 1 A 25 25 ARG CB C 25 29.253 29.835 -0.582 1
1 191 . 3 1 1 A 26 26 SER HA H 26 4.092 4.141 -0.049 1
1 194 . 3 1 1 A 26 26 SER C C 26 177.471 177.071 0.400 1
1 195 . 3 1 1 A 26 26 SER CA C 26 60.832 61.267 -0.435 1
1 196 . 3 1 1 A 26 26 SER CB C 26 61.616 62.446 -0.830 1
1 197 . 3 1 1 A 26 26 SER N N 26 120.568 114.363 6.205 1
1 198 . 3 1 1 A 27 27 HIS H H 27 6.799 7.761 -0.962 1
1 199 . 3 1 1 A 27 27 HIS HA H 27 4.556 4.307 0.249 1
1 204 . 3 1 1 A 27 27 HIS C C 27 178.281 177.755 0.526 1
1 205 . 3 1 1 A 27 27 HIS CA C 27 56.589 59.354 -2.765 1
1 206 . 3 1 1 A 27 27 HIS CB C 27 31.722 29.629 2.093 1
1 209 . 3 1 1 A 27 27 HIS N N 27 122.717 118.913 3.804 1
1 210 . 3 1 1 A 28 28 LEU H H 28 7.026 7.787 -0.761 1
1 211 . 3 1 1 A 28 28 LEU HA H 28 3.249 2.700 0.549 1
1 221 . 3 1 1 A 28 28 LEU C C 28 177.146 177.794 -0.648 1
1 222 . 3 1 1 A 28 28 LEU CA C 28 57.742 56.749 0.993 1
1 223 . 3 1 1 A 28 28 LEU CB C 28 40.422 42.003 -1.581 1
1 227 . 3 1 1 A 28 28 LEU N N 28 121.528 120.546 0.982 1
1 228 . 3 1 1 A 29 29 ALA H H 29 8.188 8.348 -0.160 1
1 229 . 3 1 1 A 29 29 ALA HA H 29 3.979 3.986 -0.007 1
1 233 . 3 1 1 A 29 29 ALA C C 29 180.981 180.296 0.685 1
1 234 . 3 1 1 A 29 29 ALA CA C 29 55.545 55.426 0.119 1
1 235 . 3 1 1 A 29 29 ALA CB C 29 17.763 18.340 -0.577 1
1 236 . 3 1 1 A 29 29 ALA N N 29 120.526 120.667 -0.141 1
1 237 . 3 1 1 A 30 30 GLY H H 30 7.724 7.882 -0.158 1
1 238 . 3 1 1 A 30 30 GLY HA2 H 30 3.886 3.561 0.325 1
1 239 . 3 1 1 A 30 30 GLY HA3 H 30 3.785 3.582 0.203 1
1 240 . 3 1 1 A 30 30 GLY C C 30 175.878 175.689 0.189 1
1 241 . 3 1 1 A 30 30 GLY CA C 30 46.909 47.060 -0.151 1
1 242 . 3 1 1 A 30 30 GLY N N 30 103.375 105.932 -2.557 1
1 243 . 3 1 1 A 31 31 HIS H H 31 7.499 8.282 -0.783 1
1 244 . 3 1 1 A 31 31 HIS HA H 31 4.195 4.106 0.089 1
1 249 . 3 1 1 A 31 31 HIS C C 31 176.680 176.512 0.168 1
1 250 . 3 1 1 A 31 31 HIS CA C 31 59.232 59.188 0.044 1
1 251 . 3 1 1 A 31 31 HIS CB C 31 28.775 30.074 -1.299 1
1 254 . 3 1 1 A 31 31 HIS N N 31 122.268 121.814 0.454 1
1 255 . 3 1 1 A 32 32 LEU H H 32 8.464 7.264 1.200 1
1 256 . 3 1 1 A 32 32 LEU HA H 32 3.900 4.287 -0.387 1
1 266 . 3 1 1 A 32 32 LEU C C 32 179.964 178.680 1.284 1
1 267 . 3 1 1 A 32 32 LEU CA C 32 58.183 56.391 1.792 1
1 268 . 3 1 1 A 32 32 LEU CB C 32 41.777 42.288 -0.511 1
1 272 . 3 1 1 A 32 32 LEU N N 32 118.124 118.770 -0.646 1
1 273 . 3 1 1 A 33 33 ARG H H 33 7.236 7.907 -0.671 1
1 274 . 3 1 1 A 33 33 ARG HA H 33 4.097 4.040 0.057 1
1 281 . 3 1 1 A 33 33 ARG C C 33 178.375 178.738 -0.363 1
1 282 . 3 1 1 A 33 33 ARG CA C 33 58.637 59.271 -0.634 1
1 283 . 3 1 1 A 33 33 ARG CB C 33 29.760 29.896 -0.136 1
1 286 . 3 1 1 A 33 33 ARG N N 33 117.491 119.800 -2.309 1
1 287 . 3 1 1 A 34 34 LEU H H 34 7.702 7.159 0.543 1
1 288 . 3 1 1 A 34 34 LEU HA H 34 4.031 4.001 0.030 1
1 298 . 3 1 1 A 34 34 LEU C C 34 178.952 178.978 -0.026 1
1 299 . 3 1 1 A 34 34 LEU CA C 34 56.816 57.756 -0.940 1
1 300 . 3 1 1 A 34 34 LEU CB C 34 40.886 40.885 0.001 1
1 304 . 3 1 1 A 34 34 LEU N N 34 118.773 117.802 0.971 1
1 305 . 3 1 1 A 35 35 HIS H H 35 7.172 8.053 -0.881 1
1 306 . 3 1 1 A 35 35 HIS HA H 35 4.721 4.255 0.466 1
1 311 . 3 1 1 A 35 35 HIS C C 35 175.730 178.416 -2.686 1
1 312 . 3 1 1 A 35 35 HIS CA C 35 55.788 59.360 -3.572 1
1 313 . 3 1 1 A 35 35 HIS CB C 35 28.787 29.814 -1.027 1
1 316 . 3 1 1 A 35 35 HIS N N 35 115.314 119.205 -3.891 1
1 317 . 3 1 1 A 36 36 SER H H 36 7.773 8.042 -0.269 1
1 318 . 3 1 1 A 36 36 SER HA H 36 4.410 4.171 0.239 1
1 321 . 3 1 1 A 36 36 SER C C 36 175.092 177.129 -2.037 1
1 322 . 3 1 1 A 36 36 SER CA C 36 59.320 61.217 -1.897 1
1 323 . 3 1 1 A 36 36 SER CB C 36 63.614 62.493 1.121 1
1 324 . 3 1 1 A 36 36 SER N N 36 114.851 116.302 -1.451 1
1 325 . 3 1 1 A 37 37 ARG H H 37 8.264 8.156 0.108 1
1 326 . 3 1 1 A 37 37 ARG HA H 37 4.340 4.079 0.261 1
1 333 . 3 1 1 A 37 37 ARG C C 37 176.804 177.501 -0.697 1
1 334 . 3 1 1 A 37 37 ARG CA C 37 56.665 58.769 -2.104 1
1 335 . 3 1 1 A 37 37 ARG CB C 37 30.544 29.496 1.048 1
1 338 . 3 1 1 A 37 37 ARG N N 37 122.680 123.012 -0.332 1
1 339 . 3 1 1 A 38 38 GLU H H 38 8.236 7.370 0.866 1
1 340 . 3 1 1 A 38 38 GLU HA H 38 4.242 4.476 -0.234 1
1 345 . 3 1 1 A 38 38 GLU C C 38 176.807 175.097 1.710 1
1 346 . 3 1 1 A 38 38 GLU CA C 38 56.861 56.065 0.796 1
1 347 . 3 1 1 A 38 38 GLU CB C 38 30.121 29.895 0.226 1
1 349 . 3 1 1 A 38 38 GLU N N 38 120.831 116.312 4.519 1
1 350 . 3 1 1 A 39 39 LYS H H 39 8.214 7.238 0.976 1
1 351 . 3 1 1 A 39 39 LYS HA H 39 4.337 5.134 -0.797 1
1 360 . 3 1 1 A 39 39 LYS C C 39 176.749 175.004 1.745 1
1 361 . 3 1 1 A 39 39 LYS CA C 39 56.498 54.795 1.703 1
1 362 . 3 1 1 A 39 39 LYS CB C 39 32.926 36.001 -3.075 1
1 366 . 3 1 1 A 39 39 LYS N N 39 121.436 122.598 -1.162 1
1 367 . 3 1 1 A 40 40 SER H H 40 8.282 8.797 -0.515 1
1 368 . 3 1 1 A 40 40 SER HA H 40 4.471 5.164 -0.693 1
1 371 . 3 1 1 A 40 40 SER C C 40 174.618 173.443 1.175 1
1 372 . 3 1 1 A 40 40 SER CA C 40 58.313 57.328 0.985 1
1 373 . 3 1 1 A 40 40 SER CB C 40 63.713 64.897 -1.184 1
1 374 . 3 1 1 A 40 40 SER N N 40 116.652 121.084 -4.432 1
1 375 . 3 1 1 A 41 41 SER H H 41 8.315 9.007 -0.692 1
1 376 . 3 1 1 A 41 41 SER HA H 41 4.505 5.396 -0.891 1
1 379 . 3 1 1 A 41 41 SER C C 41 174.491 173.749 0.742 1
1 380 . 3 1 1 A 41 41 SER CA C 41 58.298 56.672 1.626 1
1 381 . 3 1 1 A 41 41 SER CB C 41 63.977 64.841 -0.864 1
1 382 . 3 1 1 A 41 41 SER N N 41 117.808 119.574 -1.766 1
1 383 . 3 1 1 A 42 42 GLY H H 42 8.209 8.882 -0.673 1
1 384 . 3 1 1 A 42 42 GLY HA2 H 42 4.137 4.368 -0.231 1
1 385 . 3 1 1 A 42 42 GLY HA3 H 42 4.137 4.368 -0.231 1
1 386 . 3 1 1 A 42 42 GLY C C 42 171.766 172.356 -0.590 1
1 387 . 3 1 1 A 42 42 GLY CA C 42 44.693 44.358 0.335 1
1 388 . 3 1 1 A 42 42 GLY N N 42 110.577 111.381 -0.804 1
1 389 . 3 1 1 A 43 43 PRO HA H 43 4.477 4.587 -0.110 1
1 396 . 3 1 1 A 43 43 PRO C C 43 177.379 176.433 0.946 1
1 397 . 3 1 1 A 43 43 PRO CA C 43 63.211 62.374 0.837 1
1 398 . 3 1 1 A 43 43 PRO CB C 43 32.181 33.052 -0.871 1
1 401 . 3 1 1 A 44 44 SER H H 44 8.517 8.421 0.096 1
1 402 . 3 1 1 A 44 44 SER C C 44 174.661 175.014 -0.353 1
1 403 . 3 1 1 A 44 44 SER CA C 44 58.543 60.527 -1.984 1
1 404 . 3 1 1 A 44 44 SER CB C 44 64.118 63.518 0.600 1
1 1 . 4 1 1 A 8 8 SER HA H 8 4.438 4.694 -0.256 1
1 4 . 4 1 1 A 8 8 SER CA C 8 58.600 58.560 0.040 1
1 5 . 4 1 1 A 8 8 SER CB C 8 63.792 64.570 -0.778 1
1 6 . 4 1 1 A 9 9 GLY H H 9 8.454 7.442 1.012 1
1 7 . 4 1 1 A 9 9 GLY HA2 H 9 3.938 4.038 -0.100 1
1 8 . 4 1 1 A 9 9 GLY HA3 H 9 3.938 4.039 -0.101 1
1 9 . 4 1 1 A 9 9 GLY CA C 9 45.227 46.009 -0.782 1
1 10 . 4 1 1 A 9 9 GLY N N 9 110.842 108.078 2.764 1
1 11 . 4 1 1 A 10 10 GLU H H 10 8.211 8.464 -0.253 1
1 12 . 4 1 1 A 10 10 GLU HA H 10 4.206 5.083 -0.877 1
1 17 . 4 1 1 A 10 10 GLU CA C 10 56.709 54.559 2.150 1
1 18 . 4 1 1 A 10 10 GLU CB C 10 30.317 33.530 -3.213 1
1 20 . 4 1 1 A 10 10 GLU N N 10 120.029 120.986 -0.957 1
1 21 . 4 1 1 A 11 11 ARG HA H 11 4.425 4.350 0.075 1
1 28 . 4 1 1 A 11 11 ARG CA C 11 53.417 55.028 -1.611 1
1 29 . 4 1 1 A 11 11 ARG CB C 11 29.953 30.135 -0.182 1
1 32 . 4 1 1 A 11 11 ARG N N 11 117.766 122.361 -4.595 1
1 33 . 4 1 1 A 12 12 PRO HA H 12 4.203 4.385 -0.182 1
1 40 . 4 1 1 A 12 12 PRO C C 12 176.483 176.234 0.249 1
1 41 . 4 1 1 A 12 12 PRO CA C 12 63.898 64.716 -0.818 1
1 42 . 4 1 1 A 12 12 PRO CB C 12 32.127 32.234 -0.107 1
1 45 . 4 1 1 A 13 13 PHE H H 13 7.791 7.742 0.049 1
1 46 . 4 1 1 A 13 13 PHE HA H 13 4.757 5.323 -0.566 1
1 54 . 4 1 1 A 13 13 PHE C C 13 174.511 174.272 0.239 1
1 55 . 4 1 1 A 13 13 PHE CA C 13 56.893 56.378 0.515 1
1 56 . 4 1 1 A 13 13 PHE CB C 13 39.090 43.685 -4.595 1
1 62 . 4 1 1 A 13 13 PHE N N 13 118.173 117.979 0.194 1
1 63 . 4 1 1 A 14 14 LYS H H 14 8.611 8.792 -0.181 1
1 64 . 4 1 1 A 14 14 LYS HA H 14 5.071 4.926 0.145 1
1 73 . 4 1 1 A 14 14 LYS C C 14 175.322 174.418 0.904 1
1 74 . 4 1 1 A 14 14 LYS CA C 14 55.006 55.807 -0.801 1
1 75 . 4 1 1 A 14 14 LYS CB C 14 35.258 36.947 -1.689 1
1 79 . 4 1 1 A 14 14 LYS N N 14 124.455 120.068 4.387 1
1 80 . 4 1 1 A 15 15 CYS H H 15 9.115 9.141 -0.026 1
1 81 . 4 1 1 A 15 15 CYS HA H 15 4.549 4.786 -0.237 1
1 84 . 4 1 1 A 15 15 CYS C C 15 177.457 176.312 1.145 1
1 85 . 4 1 1 A 15 15 CYS CA C 15 59.450 58.409 1.041 1
1 86 . 4 1 1 A 15 15 CYS CB C 15 29.959 29.351 0.608 1
1 87 . 4 1 1 A 15 15 CYS N N 15 125.796 124.025 1.771 1
1 88 . 4 1 1 A 16 16 ASN H H 16 9.439 9.397 0.042 1
1 89 . 4 1 1 A 16 16 ASN HA H 16 4.552 5.082 -0.530 1
1 94 . 4 1 1 A 16 16 ASN C C 16 175.327 175.723 -0.396 1
1 95 . 4 1 1 A 16 16 ASN CA C 16 55.429 53.279 2.150 1
1 96 . 4 1 1 A 16 16 ASN CB C 16 38.518 38.862 -0.344 1
1 97 . 4 1 1 A 16 16 ASN N N 16 130.041 127.260 2.781 1
1 99 . 4 1 1 A 17 17 GLU H H 17 9.013 7.568 1.445 1
1 100 . 4 1 1 A 17 17 GLU HA H 17 4.244 4.406 -0.162 1
1 105 . 4 1 1 A 17 17 GLU C C 17 177.345 178.082 -0.737 1
1 106 . 4 1 1 A 17 17 GLU CA C 17 58.195 57.234 0.961 1
1 107 . 4 1 1 A 17 17 GLU CB C 17 29.394 31.034 -1.640 1
1 109 . 4 1 1 A 17 17 GLU N N 17 121.584 118.279 3.305 1
1 110 . 4 1 1 A 18 18 CYS H H 18 8.410 8.138 0.272 1
1 111 . 4 1 1 A 18 18 CYS HA H 18 5.193 4.714 0.479 1
1 114 . 4 1 1 A 18 18 CYS C C 18 176.413 175.467 0.946 1
1 115 . 4 1 1 A 18 18 CYS CA C 18 58.391 59.720 -1.329 1
1 116 . 4 1 1 A 18 18 CYS CB C 18 32.346 29.991 2.355 1
1 117 . 4 1 1 A 18 18 CYS N N 18 116.182 114.727 1.455 1
1 118 . 4 1 1 A 19 19 GLY H H 19 8.045 8.054 -0.009 1
1 119 . 4 1 1 A 19 19 GLY HA2 H 19 4.260 4.094 0.166 1
1 120 . 4 1 1 A 19 19 GLY HA3 H 19 3.829 4.105 -0.276 1
1 121 . 4 1 1 A 19 19 GLY C C 19 173.661 174.364 -0.703 1
1 122 . 4 1 1 A 19 19 GLY CA C 19 46.298 45.152 1.146 1
1 123 . 4 1 1 A 19 19 GLY N N 19 113.361 110.051 3.310 1
1 124 . 4 1 1 A 20 20 LYS H H 20 7.930 7.924 0.006 1
1 125 . 4 1 1 A 20 20 LYS HA H 20 3.967 4.639 -0.672 1
1 134 . 4 1 1 A 20 20 LYS C C 20 174.605 175.681 -1.076 1
1 135 . 4 1 1 A 20 20 LYS CA C 20 58.241 54.827 3.414 1
1 136 . 4 1 1 A 20 20 LYS CB C 20 33.836 34.074 -0.238 1
1 140 . 4 1 1 A 20 20 LYS N N 20 123.055 121.707 1.348 1
1 141 . 4 1 1 A 21 21 GLY H H 21 8.013 8.492 -0.479 1
1 142 . 4 1 1 A 21 21 GLY HA2 H 21 4.880 4.239 0.641 1
1 143 . 4 1 1 A 21 21 GLY HA3 H 21 3.336 4.378 -1.042 1
1 144 . 4 1 1 A 21 21 GLY CA C 21 44.008 43.893 0.115 1
1 145 . 4 1 1 A 21 21 GLY N N 21 108.426 111.865 -3.439 1
1 146 . 4 1 1 A 22 22 PHE H H 22 8.731 8.767 -0.036 1
1 147 . 4 1 1 A 22 22 PHE HA H 22 4.731 5.127 -0.396 1
1 155 . 4 1 1 A 22 22 PHE CA C 22 57.510 56.535 0.975 1
1 156 . 4 1 1 A 22 22 PHE CB C 22 44.105 43.691 0.414 1
1 162 . 4 1 1 A 22 22 PHE N N 22 117.792 119.882 -2.090 1
1 163 . 4 1 1 A 23 23 GLY HA2 H 23 4.454 3.910 0.544 1
1 164 . 4 1 1 A 23 23 GLY HA3 H 23 4.094 3.934 0.160 1
1 165 . 4 1 1 A 23 23 GLY CA C 23 45.710 47.225 -1.515 1
1 166 . 4 1 1 A 23 23 GLY N N 23 109.000 110.454 -1.454 1
1 167 . 4 1 1 A 24 24 ARG H H 24 7.197 7.788 -0.591 1
1 168 . 4 1 1 A 24 24 ARG HA H 24 4.743 4.570 0.173 1
1 175 . 4 1 1 A 24 24 ARG CA C 24 53.655 54.270 -0.615 1
1 176 . 4 1 1 A 24 24 ARG CB C 24 33.460 32.395 1.065 1
1 179 . 4 1 1 A 24 24 ARG N N 24 114.927 120.383 -5.456 1
1 180 . 4 1 1 A 25 25 ARG HA H 25 2.980 2.741 0.239 1
1 187 . 4 1 1 A 25 25 ARG CA C 25 59.693 59.403 0.290 1
1 188 . 4 1 1 A 25 25 ARG CB C 25 29.253 29.803 -0.550 1
1 191 . 4 1 1 A 26 26 SER HA H 26 4.092 4.131 -0.039 1
1 194 . 4 1 1 A 26 26 SER C C 26 177.471 177.163 0.308 1
1 195 . 4 1 1 A 26 26 SER CA C 26 60.832 60.984 -0.152 1
1 196 . 4 1 1 A 26 26 SER CB C 26 61.616 63.058 -1.442 1
1 197 . 4 1 1 A 26 26 SER N N 26 120.568 113.785 6.783 1
1 198 . 4 1 1 A 27 27 HIS H H 27 6.799 7.772 -0.973 1
1 199 . 4 1 1 A 27 27 HIS HA H 27 4.556 4.287 0.269 1
1 204 . 4 1 1 A 27 27 HIS C C 27 178.281 177.431 0.850 1
1 205 . 4 1 1 A 27 27 HIS CA C 27 56.589 59.121 -2.532 1
1 206 . 4 1 1 A 27 27 HIS CB C 27 31.722 29.539 2.183 1
1 209 . 4 1 1 A 27 27 HIS N N 27 122.717 119.397 3.320 1
1 210 . 4 1 1 A 28 28 LEU H H 28 7.026 7.853 -0.827 1
1 211 . 4 1 1 A 28 28 LEU HA H 28 3.249 2.678 0.571 1
1 221 . 4 1 1 A 28 28 LEU C C 28 177.146 177.694 -0.548 1
1 222 . 4 1 1 A 28 28 LEU CA C 28 57.742 56.789 0.953 1
1 223 . 4 1 1 A 28 28 LEU CB C 28 40.422 42.033 -1.611 1
1 227 . 4 1 1 A 28 28 LEU N N 28 121.528 120.757 0.771 1
1 228 . 4 1 1 A 29 29 ALA H H 29 8.188 8.165 0.023 1
1 229 . 4 1 1 A 29 29 ALA HA H 29 3.979 4.004 -0.025 1
1 233 . 4 1 1 A 29 29 ALA C C 29 180.981 180.208 0.773 1
1 234 . 4 1 1 A 29 29 ALA CA C 29 55.545 55.414 0.131 1
1 235 . 4 1 1 A 29 29 ALA CB C 29 17.763 18.371 -0.608 1
1 236 . 4 1 1 A 29 29 ALA N N 29 120.526 120.538 -0.012 1
1 237 . 4 1 1 A 30 30 GLY H H 30 7.724 7.904 -0.180 1
1 238 . 4 1 1 A 30 30 GLY HA2 H 30 3.886 3.548 0.338 1
1 239 . 4 1 1 A 30 30 GLY HA3 H 30 3.785 3.571 0.214 1
1 240 . 4 1 1 A 30 30 GLY C C 30 175.878 175.589 0.289 1
1 241 . 4 1 1 A 30 30 GLY CA C 30 46.909 47.001 -0.092 1
1 242 . 4 1 1 A 30 30 GLY N N 30 103.375 106.275 -2.900 1
1 243 . 4 1 1 A 31 31 HIS H H 31 7.499 8.307 -0.808 1
1 244 . 4 1 1 A 31 31 HIS HA H 31 4.195 4.075 0.120 1
1 249 . 4 1 1 A 31 31 HIS C C 31 176.680 176.526 0.154 1
1 250 . 4 1 1 A 31 31 HIS CA C 31 59.232 59.173 0.059 1
1 251 . 4 1 1 A 31 31 HIS CB C 31 28.775 30.089 -1.314 1
1 254 . 4 1 1 A 31 31 HIS N N 31 122.268 121.824 0.444 1
1 255 . 4 1 1 A 32 32 LEU H H 32 8.464 7.306 1.158 1
1 256 . 4 1 1 A 32 32 LEU HA H 32 3.900 4.251 -0.351 1
1 266 . 4 1 1 A 32 32 LEU C C 32 179.964 178.630 1.334 1
1 267 . 4 1 1 A 32 32 LEU CA C 32 58.183 56.570 1.613 1
1 268 . 4 1 1 A 32 32 LEU CB C 32 41.777 42.180 -0.403 1
1 272 . 4 1 1 A 32 32 LEU N N 32 118.124 118.705 -0.581 1
1 273 . 4 1 1 A 33 33 ARG H H 33 7.236 8.098 -0.862 1
1 274 . 4 1 1 A 33 33 ARG HA H 33 4.097 3.940 0.157 1
1 281 . 4 1 1 A 33 33 ARG C C 33 178.375 178.900 -0.525 1
1 282 . 4 1 1 A 33 33 ARG CA C 33 58.637 59.638 -1.001 1
1 283 . 4 1 1 A 33 33 ARG CB C 33 29.760 29.989 -0.229 1
1 286 . 4 1 1 A 33 33 ARG N N 33 117.491 119.312 -1.821 1
1 287 . 4 1 1 A 34 34 LEU H H 34 7.702 7.104 0.598 1
1 288 . 4 1 1 A 34 34 LEU HA H 34 4.031 3.979 0.052 1
1 298 . 4 1 1 A 34 34 LEU C C 34 178.952 179.142 -0.190 1
1 299 . 4 1 1 A 34 34 LEU CA C 34 56.816 57.642 -0.826 1
1 300 . 4 1 1 A 34 34 LEU CB C 34 40.886 40.835 0.051 1
1 304 . 4 1 1 A 34 34 LEU N N 34 118.773 118.070 0.703 1
1 305 . 4 1 1 A 35 35 HIS H H 35 7.172 7.794 -0.622 1
1 306 . 4 1 1 A 35 35 HIS HA H 35 4.721 4.364 0.357 1
1 311 . 4 1 1 A 35 35 HIS C C 35 175.730 176.130 -0.400 1
1 312 . 4 1 1 A 35 35 HIS CA C 35 55.788 59.444 -3.656 1
1 313 . 4 1 1 A 35 35 HIS CB C 35 28.787 29.675 -0.888 1
1 316 . 4 1 1 A 35 35 HIS N N 35 115.314 118.515 -3.201 1
1 317 . 4 1 1 A 36 36 SER H H 36 7.773 7.482 0.291 1
1 318 . 4 1 1 A 36 36 SER HA H 36 4.410 4.552 -0.142 1
1 321 . 4 1 1 A 36 36 SER C C 36 175.092 175.276 -0.184 1
1 322 . 4 1 1 A 36 36 SER CA C 36 59.320 57.376 1.944 1
1 323 . 4 1 1 A 36 36 SER CB C 36 63.614 63.188 0.426 1
1 324 . 4 1 1 A 36 36 SER N N 36 114.851 110.021 4.830 1
1 325 . 4 1 1 A 37 37 ARG H H 37 8.264 7.861 0.403 1
1 326 . 4 1 1 A 37 37 ARG HA H 37 4.340 4.020 0.320 1
1 333 . 4 1 1 A 37 37 ARG C C 37 176.804 178.176 -1.372 1
1 334 . 4 1 1 A 37 37 ARG CA C 37 56.665 58.941 -2.276 1
1 335 . 4 1 1 A 37 37 ARG CB C 37 30.544 29.972 0.572 1
1 338 . 4 1 1 A 37 37 ARG N N 37 122.680 122.087 0.593 1
1 339 . 4 1 1 A 38 38 GLU H H 38 8.236 7.879 0.357 1
1 340 . 4 1 1 A 38 38 GLU HA H 38 4.242 4.152 0.090 1
1 345 . 4 1 1 A 38 38 GLU C C 38 176.807 178.408 -1.601 1
1 346 . 4 1 1 A 38 38 GLU CA C 38 56.861 58.842 -1.981 1
1 347 . 4 1 1 A 38 38 GLU CB C 38 30.121 29.987 0.134 1
1 349 . 4 1 1 A 38 38 GLU N N 38 120.831 119.730 1.101 1
1 350 . 4 1 1 A 39 39 LYS H H 39 8.214 8.049 0.165 1
1 351 . 4 1 1 A 39 39 LYS HA H 39 4.337 4.005 0.332 1
1 360 . 4 1 1 A 39 39 LYS C C 39 176.749 176.807 -0.058 1
1 361 . 4 1 1 A 39 39 LYS CA C 39 56.498 59.411 -2.913 1
1 362 . 4 1 1 A 39 39 LYS CB C 39 32.926 32.201 0.725 1
1 366 . 4 1 1 A 39 39 LYS N N 39 121.436 119.647 1.789 1
1 367 . 4 1 1 A 40 40 SER H H 40 8.282 7.887 0.395 1
1 368 . 4 1 1 A 40 40 SER HA H 40 4.471 4.492 -0.021 1
1 371 . 4 1 1 A 40 40 SER C C 40 174.618 175.059 -0.441 1
1 372 . 4 1 1 A 40 40 SER CA C 40 58.313 57.111 1.202 1
1 373 . 4 1 1 A 40 40 SER CB C 40 63.713 64.181 -0.468 1
1 374 . 4 1 1 A 40 40 SER N N 40 116.652 115.075 1.577 1
1 375 . 4 1 1 A 41 41 SER H H 41 8.315 8.543 -0.228 1
1 376 . 4 1 1 A 41 41 SER HA H 41 4.505 4.029 0.476 1
1 379 . 4 1 1 A 41 41 SER C C 41 174.491 173.681 0.810 1
1 380 . 4 1 1 A 41 41 SER CA C 41 58.298 59.409 -1.111 1
1 381 . 4 1 1 A 41 41 SER CB C 41 63.977 61.786 2.191 1
1 382 . 4 1 1 A 41 41 SER N N 41 117.808 117.058 0.750 1
1 383 . 4 1 1 A 42 42 GLY H H 42 8.209 7.817 0.392 1
1 384 . 4 1 1 A 42 42 GLY HA2 H 42 4.137 4.016 0.121 1
1 385 . 4 1 1 A 42 42 GLY HA3 H 42 4.137 4.016 0.121 1
1 386 . 4 1 1 A 42 42 GLY C C 42 171.766 171.835 -0.069 1
1 387 . 4 1 1 A 42 42 GLY CA C 42 44.693 45.384 -0.691 1
1 388 . 4 1 1 A 42 42 GLY N N 42 110.577 107.362 3.215 1
1 389 . 4 1 1 A 43 43 PRO HA H 43 4.477 4.702 -0.225 1
1 396 . 4 1 1 A 43 43 PRO C C 43 177.379 176.690 0.689 1
1 397 . 4 1 1 A 43 43 PRO CA C 43 63.211 62.223 0.988 1
1 398 . 4 1 1 A 43 43 PRO CB C 43 32.181 29.537 2.644 1
1 401 . 4 1 1 A 44 44 SER H H 44 8.517 8.558 -0.041 1
1 402 . 4 1 1 A 44 44 SER C C 44 174.661 174.545 0.116 1
1 403 . 4 1 1 A 44 44 SER CA C 44 58.543 58.298 0.245 1
1 404 . 4 1 1 A 44 44 SER CB C 44 64.118 64.614 -0.496 1
1 1 . 5 1 1 A 8 8 SER HA H 8 4.438 4.150 0.288 1
1 4 . 5 1 1 A 8 8 SER CA C 8 58.600 61.916 -3.316 1
1 5 . 5 1 1 A 8 8 SER CB C 8 63.792 62.952 0.840 1
1 6 . 5 1 1 A 9 9 GLY H H 9 8.454 7.521 0.933 1
1 7 . 5 1 1 A 9 9 GLY HA2 H 9 3.938 4.144 -0.206 1
1 8 . 5 1 1 A 9 9 GLY HA3 H 9 3.938 4.148 -0.210 1
1 9 . 5 1 1 A 9 9 GLY CA C 9 45.227 45.225 0.002 1
1 10 . 5 1 1 A 9 9 GLY N N 9 110.842 106.360 4.482 1
1 11 . 5 1 1 A 10 10 GLU H H 10 8.211 8.744 -0.533 1
1 12 . 5 1 1 A 10 10 GLU HA H 10 4.206 4.608 -0.402 1
1 17 . 5 1 1 A 10 10 GLU CA C 10 56.709 55.968 0.741 1
1 18 . 5 1 1 A 10 10 GLU CB C 10 30.317 30.113 0.204 1
1 20 . 5 1 1 A 10 10 GLU N N 10 120.029 125.425 -5.396 1
1 21 . 5 1 1 A 11 11 ARG HA H 11 4.425 4.485 -0.060 1
1 28 . 5 1 1 A 11 11 ARG CA C 11 53.417 54.476 -1.059 1
1 29 . 5 1 1 A 11 11 ARG CB C 11 29.953 29.780 0.173 1
1 32 . 5 1 1 A 11 11 ARG N N 11 117.766 125.995 -8.229 1
1 33 . 5 1 1 A 12 12 PRO HA H 12 4.203 4.384 -0.181 1
1 40 . 5 1 1 A 12 12 PRO C C 12 176.483 176.466 0.017 1
1 41 . 5 1 1 A 12 12 PRO CA C 12 63.898 65.261 -1.363 1
1 42 . 5 1 1 A 12 12 PRO CB C 12 32.127 32.194 -0.067 1
1 45 . 5 1 1 A 13 13 PHE H H 13 7.791 8.106 -0.315 1
1 46 . 5 1 1 A 13 13 PHE HA H 13 4.757 5.002 -0.245 1
1 54 . 5 1 1 A 13 13 PHE C C 13 174.511 174.909 -0.398 1
1 55 . 5 1 1 A 13 13 PHE CA C 13 56.893 56.956 -0.063 1
1 56 . 5 1 1 A 13 13 PHE CB C 13 39.090 41.933 -2.843 1
1 62 . 5 1 1 A 13 13 PHE N N 13 118.173 117.995 0.178 1
1 63 . 5 1 1 A 14 14 LYS H H 14 8.611 8.819 -0.208 1
1 64 . 5 1 1 A 14 14 LYS HA H 14 5.071 4.886 0.185 1
1 73 . 5 1 1 A 14 14 LYS C C 14 175.322 174.339 0.983 1
1 74 . 5 1 1 A 14 14 LYS CA C 14 55.006 55.954 -0.948 1
1 75 . 5 1 1 A 14 14 LYS CB C 14 35.258 36.757 -1.499 1
1 79 . 5 1 1 A 14 14 LYS N N 14 124.455 120.147 4.308 1
1 80 . 5 1 1 A 15 15 CYS H H 15 9.115 9.288 -0.173 1
1 81 . 5 1 1 A 15 15 CYS HA H 15 4.549 4.817 -0.268 1
1 84 . 5 1 1 A 15 15 CYS C C 15 177.457 175.658 1.799 1
1 85 . 5 1 1 A 15 15 CYS CA C 15 59.450 58.286 1.164 1
1 86 . 5 1 1 A 15 15 CYS CB C 15 29.959 29.555 0.404 1
1 87 . 5 1 1 A 15 15 CYS N N 15 125.796 124.234 1.562 1
1 88 . 5 1 1 A 16 16 ASN H H 16 9.439 9.147 0.292 1
1 89 . 5 1 1 A 16 16 ASN HA H 16 4.552 4.687 -0.135 1
1 94 . 5 1 1 A 16 16 ASN C C 16 175.327 177.337 -2.010 1
1 95 . 5 1 1 A 16 16 ASN CA C 16 55.429 54.760 0.669 1
1 96 . 5 1 1 A 16 16 ASN CB C 16 38.518 38.699 -0.181 1
1 97 . 5 1 1 A 16 16 ASN N N 16 130.041 126.022 4.019 1
1 99 . 5 1 1 A 17 17 GLU H H 17 9.013 7.826 1.187 1
1 100 . 5 1 1 A 17 17 GLU HA H 17 4.244 3.921 0.323 1
1 105 . 5 1 1 A 17 17 GLU C C 17 177.345 178.186 -0.841 1
1 106 . 5 1 1 A 17 17 GLU CA C 17 58.195 58.669 -0.474 1
1 107 . 5 1 1 A 17 17 GLU CB C 17 29.394 28.620 0.774 1
1 109 . 5 1 1 A 17 17 GLU N N 17 121.584 119.984 1.600 1
1 110 . 5 1 1 A 18 18 CYS H H 18 8.410 7.448 0.962 1
1 111 . 5 1 1 A 18 18 CYS HA H 18 5.193 4.726 0.467 1
1 114 . 5 1 1 A 18 18 CYS C C 18 176.413 175.521 0.892 1
1 115 . 5 1 1 A 18 18 CYS CA C 18 58.391 59.593 -1.202 1
1 116 . 5 1 1 A 18 18 CYS CB C 18 32.346 29.951 2.395 1
1 117 . 5 1 1 A 18 18 CYS N N 18 116.182 114.734 1.448 1
1 118 . 5 1 1 A 19 19 GLY H H 19 8.045 8.001 0.044 1
1 119 . 5 1 1 A 19 19 GLY HA2 H 19 4.260 4.103 0.157 1
1 120 . 5 1 1 A 19 19 GLY HA3 H 19 3.829 4.113 -0.284 1
1 121 . 5 1 1 A 19 19 GLY C C 19 173.661 174.640 -0.979 1
1 122 . 5 1 1 A 19 19 GLY CA C 19 46.298 44.998 1.300 1
1 123 . 5 1 1 A 19 19 GLY N N 19 113.361 109.769 3.592 1
1 124 . 5 1 1 A 20 20 LYS H H 20 7.930 7.564 0.366 1
1 125 . 5 1 1 A 20 20 LYS HA H 20 3.967 4.198 -0.231 1
1 134 . 5 1 1 A 20 20 LYS C C 20 174.605 175.691 -1.086 1
1 135 . 5 1 1 A 20 20 LYS CA C 20 58.241 56.285 1.956 1
1 136 . 5 1 1 A 20 20 LYS CB C 20 33.836 33.459 0.377 1
1 140 . 5 1 1 A 20 20 LYS N N 20 123.055 122.518 0.537 1
1 141 . 5 1 1 A 21 21 GLY H H 21 8.013 8.160 -0.147 1
1 142 . 5 1 1 A 21 21 GLY HA2 H 21 4.880 4.315 0.565 1
1 143 . 5 1 1 A 21 21 GLY HA3 H 21 3.336 4.459 -1.123 1
1 144 . 5 1 1 A 21 21 GLY CA C 21 44.008 44.145 -0.137 1
1 145 . 5 1 1 A 21 21 GLY N N 21 108.426 111.381 -2.955 1
1 146 . 5 1 1 A 22 22 PHE H H 22 8.731 9.016 -0.285 1
1 147 . 5 1 1 A 22 22 PHE HA H 22 4.731 5.151 -0.420 1
1 155 . 5 1 1 A 22 22 PHE CA C 22 57.510 56.502 1.008 1
1 156 . 5 1 1 A 22 22 PHE CB C 22 44.105 43.833 0.272 1
1 162 . 5 1 1 A 22 22 PHE N N 22 117.792 121.209 -3.417 1
1 163 . 5 1 1 A 23 23 GLY HA2 H 23 4.454 3.871 0.583 1
1 164 . 5 1 1 A 23 23 GLY HA3 H 23 4.094 3.915 0.179 1
1 165 . 5 1 1 A 23 23 GLY CA C 23 45.710 46.982 -1.272 1
1 166 . 5 1 1 A 23 23 GLY N N 23 109.000 110.347 -1.347 1
1 167 . 5 1 1 A 24 24 ARG H H 24 7.197 7.618 -0.421 1
1 168 . 5 1 1 A 24 24 ARG HA H 24 4.743 4.495 0.248 1
1 175 . 5 1 1 A 24 24 ARG CA C 24 53.655 54.225 -0.570 1
1 176 . 5 1 1 A 24 24 ARG CB C 24 33.460 31.946 1.514 1
1 179 . 5 1 1 A 24 24 ARG N N 24 114.927 119.922 -4.995 1
1 180 . 5 1 1 A 25 25 ARG HA H 25 2.980 2.788 0.192 1
1 187 . 5 1 1 A 25 25 ARG CA C 25 59.693 58.985 0.708 1
1 188 . 5 1 1 A 25 25 ARG CB C 25 29.253 29.792 -0.539 1
1 191 . 5 1 1 A 26 26 SER HA H 26 4.092 4.143 -0.051 1
1 194 . 5 1 1 A 26 26 SER C C 26 177.471 177.039 0.432 1
1 195 . 5 1 1 A 26 26 SER CA C 26 60.832 60.880 -0.048 1
1 196 . 5 1 1 A 26 26 SER CB C 26 61.616 63.061 -1.445 1
1 197 . 5 1 1 A 26 26 SER N N 26 120.568 113.479 7.089 1
1 198 . 5 1 1 A 27 27 HIS H H 27 6.799 7.702 -0.903 1
1 199 . 5 1 1 A 27 27 HIS HA H 27 4.556 4.261 0.295 1
1 204 . 5 1 1 A 27 27 HIS C C 27 178.281 177.357 0.924 1
1 205 . 5 1 1 A 27 27 HIS CA C 27 56.589 59.288 -2.699 1
1 206 . 5 1 1 A 27 27 HIS CB C 27 31.722 29.654 2.068 1
1 209 . 5 1 1 A 27 27 HIS N N 27 122.717 119.063 3.654 1
1 210 . 5 1 1 A 28 28 LEU H H 28 7.026 7.890 -0.864 1
1 211 . 5 1 1 A 28 28 LEU HA H 28 3.249 2.616 0.633 1
1 221 . 5 1 1 A 28 28 LEU C C 28 177.146 177.616 -0.470 1
1 222 . 5 1 1 A 28 28 LEU CA C 28 57.742 56.776 0.966 1
1 223 . 5 1 1 A 28 28 LEU CB C 28 40.422 42.028 -1.606 1
1 227 . 5 1 1 A 28 28 LEU N N 28 121.528 120.571 0.957 1
1 228 . 5 1 1 A 29 29 ALA H H 29 8.188 8.328 -0.140 1
1 229 . 5 1 1 A 29 29 ALA HA H 29 3.979 4.014 -0.035 1
1 233 . 5 1 1 A 29 29 ALA C C 29 180.981 180.308 0.673 1
1 234 . 5 1 1 A 29 29 ALA CA C 29 55.545 55.440 0.105 1
1 235 . 5 1 1 A 29 29 ALA CB C 29 17.763 18.412 -0.649 1
1 236 . 5 1 1 A 29 29 ALA N N 29 120.526 120.661 -0.135 1
1 237 . 5 1 1 A 30 30 GLY H H 30 7.724 7.867 -0.143 1
1 238 . 5 1 1 A 30 30 GLY HA2 H 30 3.886 3.560 0.326 1
1 239 . 5 1 1 A 30 30 GLY HA3 H 30 3.785 3.583 0.202 1
1 240 . 5 1 1 A 30 30 GLY C C 30 175.878 175.646 0.232 1
1 241 . 5 1 1 A 30 30 GLY CA C 30 46.909 47.062 -0.153 1
1 242 . 5 1 1 A 30 30 GLY N N 30 103.375 105.992 -2.617 1
1 243 . 5 1 1 A 31 31 HIS H H 31 7.499 8.280 -0.781 1
1 244 . 5 1 1 A 31 31 HIS HA H 31 4.195 4.122 0.073 1
1 249 . 5 1 1 A 31 31 HIS C C 31 176.680 176.674 0.006 1
1 250 . 5 1 1 A 31 31 HIS CA C 31 59.232 59.197 0.035 1
1 251 . 5 1 1 A 31 31 HIS CB C 31 28.775 29.955 -1.180 1
1 254 . 5 1 1 A 31 31 HIS N N 31 122.268 121.814 0.454 1
1 255 . 5 1 1 A 32 32 LEU H H 32 8.464 7.236 1.228 1
1 256 . 5 1 1 A 32 32 LEU HA H 32 3.900 4.239 -0.339 1
1 266 . 5 1 1 A 32 32 LEU C C 32 179.964 178.667 1.297 1
1 267 . 5 1 1 A 32 32 LEU CA C 32 58.183 56.842 1.341 1
1 268 . 5 1 1 A 32 32 LEU CB C 32 41.777 42.068 -0.291 1
1 272 . 5 1 1 A 32 32 LEU N N 32 118.124 118.751 -0.627 1
1 273 . 5 1 1 A 33 33 ARG H H 33 7.236 7.773 -0.537 1
1 274 . 5 1 1 A 33 33 ARG HA H 33 4.097 3.941 0.156 1
1 281 . 5 1 1 A 33 33 ARG C C 33 178.375 178.870 -0.495 1
1 282 . 5 1 1 A 33 33 ARG CA C 33 58.637 60.007 -1.370 1
1 283 . 5 1 1 A 33 33 ARG CB C 33 29.760 29.835 -0.075 1
1 286 . 5 1 1 A 33 33 ARG N N 33 117.491 119.265 -1.774 1
1 287 . 5 1 1 A 34 34 LEU H H 34 7.702 7.517 0.185 1
1 288 . 5 1 1 A 34 34 LEU HA H 34 4.031 3.979 0.052 1
1 298 . 5 1 1 A 34 34 LEU C C 34 178.952 178.782 0.170 1
1 299 . 5 1 1 A 34 34 LEU CA C 34 56.816 57.633 -0.817 1
1 300 . 5 1 1 A 34 34 LEU CB C 34 40.886 40.940 -0.054 1
1 304 . 5 1 1 A 34 34 LEU N N 34 118.773 118.446 0.327 1
1 305 . 5 1 1 A 35 35 HIS H H 35 7.172 8.070 -0.898 1
1 306 . 5 1 1 A 35 35 HIS HA H 35 4.721 4.245 0.476 1
1 311 . 5 1 1 A 35 35 HIS C C 35 175.730 176.708 -0.978 1
1 312 . 5 1 1 A 35 35 HIS CA C 35 55.788 59.419 -3.631 1
1 313 . 5 1 1 A 35 35 HIS CB C 35 28.787 29.150 -0.363 1
1 316 . 5 1 1 A 35 35 HIS N N 35 115.314 118.707 -3.393 1
1 317 . 5 1 1 A 36 36 SER H H 36 7.773 7.210 0.563 1
1 318 . 5 1 1 A 36 36 SER HA H 36 4.410 4.453 -0.043 1
1 321 . 5 1 1 A 36 36 SER C C 36 175.092 174.123 0.969 1
1 322 . 5 1 1 A 36 36 SER CA C 36 59.320 61.190 -1.870 1
1 323 . 5 1 1 A 36 36 SER CB C 36 63.614 63.550 0.064 1
1 324 . 5 1 1 A 36 36 SER N N 36 114.851 112.999 1.852 1
1 325 . 5 1 1 A 37 37 ARG H H 37 8.264 7.101 1.163 1
1 326 . 5 1 1 A 37 37 ARG HA H 37 4.340 4.250 0.090 1
1 333 . 5 1 1 A 37 37 ARG C C 37 176.804 176.437 0.367 1
1 334 . 5 1 1 A 37 37 ARG CA C 37 56.665 56.571 0.094 1
1 335 . 5 1 1 A 37 37 ARG CB C 37 30.544 30.520 0.024 1
1 338 . 5 1 1 A 37 37 ARG N N 37 122.680 117.618 5.062 1
1 339 . 5 1 1 A 38 38 GLU H H 38 8.236 8.995 -0.759 1
1 340 . 5 1 1 A 38 38 GLU HA H 38 4.242 3.954 0.288 1
1 345 . 5 1 1 A 38 38 GLU C C 38 176.807 176.302 0.505 1
1 346 . 5 1 1 A 38 38 GLU CA C 38 56.861 57.224 -0.363 1
1 347 . 5 1 1 A 38 38 GLU CB C 38 30.121 28.500 1.621 1
1 349 . 5 1 1 A 38 38 GLU N N 38 120.831 120.502 0.329 1
1 350 . 5 1 1 A 39 39 LYS H H 39 8.214 7.823 0.391 1
1 351 . 5 1 1 A 39 39 LYS HA H 39 4.337 4.189 0.148 1
1 360 . 5 1 1 A 39 39 LYS C C 39 176.749 177.703 -0.954 1
1 361 . 5 1 1 A 39 39 LYS CA C 39 56.498 56.612 -0.114 1
1 362 . 5 1 1 A 39 39 LYS CB C 39 32.926 33.714 -0.788 1
1 366 . 5 1 1 A 39 39 LYS N N 39 121.436 120.514 0.922 1
1 367 . 5 1 1 A 40 40 SER H H 40 8.282 8.858 -0.576 1
1 368 . 5 1 1 A 40 40 SER HA H 40 4.471 4.111 0.360 1
1 371 . 5 1 1 A 40 40 SER C C 40 174.618 175.491 -0.873 1
1 372 . 5 1 1 A 40 40 SER CA C 40 58.313 62.135 -3.822 1
1 373 . 5 1 1 A 40 40 SER CB C 40 63.713 62.993 0.720 1
1 374 . 5 1 1 A 40 40 SER N N 40 116.652 121.453 -4.801 1
1 375 . 5 1 1 A 41 41 SER H H 41 8.315 7.761 0.554 1
1 376 . 5 1 1 A 41 41 SER HA H 41 4.505 4.144 0.361 1
1 379 . 5 1 1 A 41 41 SER C C 41 174.491 174.092 0.399 1
1 380 . 5 1 1 A 41 41 SER CA C 41 58.298 59.986 -1.688 1
1 381 . 5 1 1 A 41 41 SER CB C 41 63.977 62.692 1.285 1
1 382 . 5 1 1 A 41 41 SER N N 41 117.808 115.184 2.624 1
1 383 . 5 1 1 A 42 42 GLY H H 42 8.209 8.586 -0.377 1
1 384 . 5 1 1 A 42 42 GLY HA2 H 42 4.137 4.094 0.043 1
1 385 . 5 1 1 A 42 42 GLY HA3 H 42 4.137 4.094 0.043 1
1 386 . 5 1 1 A 42 42 GLY C C 42 171.766 172.675 -0.909 1
1 387 . 5 1 1 A 42 42 GLY CA C 42 44.693 44.038 0.655 1
1 388 . 5 1 1 A 42 42 GLY N N 42 110.577 113.309 -2.732 1
1 389 . 5 1 1 A 43 43 PRO HA H 43 4.477 4.635 -0.158 1
1 396 . 5 1 1 A 43 43 PRO C C 43 177.379 175.588 1.791 1
1 397 . 5 1 1 A 43 43 PRO CA C 43 63.211 62.678 0.533 1
1 398 . 5 1 1 A 43 43 PRO CB C 43 32.181 32.374 -0.193 1
1 401 . 5 1 1 A 44 44 SER H H 44 8.517 8.521 -0.004 1
1 402 . 5 1 1 A 44 44 SER C C 44 174.661 173.159 1.502 1
1 403 . 5 1 1 A 44 44 SER CA C 44 58.543 57.512 1.031 1
1 404 . 5 1 1 A 44 44 SER CB C 44 64.118 64.000 0.118 1
1 1 . 6 1 1 A 8 8 SER HA H 8 4.438 4.391 0.047 1
1 4 . 6 1 1 A 8 8 SER CA C 8 58.600 59.278 -0.678 1
1 5 . 6 1 1 A 8 8 SER CB C 8 63.792 63.746 0.046 1
1 6 . 6 1 1 A 9 9 GLY H H 9 8.454 8.392 0.062 1
1 7 . 6 1 1 A 9 9 GLY HA2 H 9 3.938 4.173 -0.235 1
1 8 . 6 1 1 A 9 9 GLY HA3 H 9 3.938 4.175 -0.237 1
1 9 . 6 1 1 A 9 9 GLY CA C 9 45.227 45.748 -0.521 1
1 10 . 6 1 1 A 9 9 GLY N N 9 110.842 113.480 -2.638 1
1 11 . 6 1 1 A 10 10 GLU H H 10 8.211 8.140 0.071 1
1 12 . 6 1 1 A 10 10 GLU HA H 10 4.206 4.358 -0.152 1
1 17 . 6 1 1 A 10 10 GLU CA C 10 56.709 56.815 -0.106 1
1 18 . 6 1 1 A 10 10 GLU CB C 10 30.317 30.235 0.082 1
1 20 . 6 1 1 A 10 10 GLU N N 10 120.029 120.683 -0.654 1
1 21 . 6 1 1 A 11 11 ARG HA H 11 4.425 4.859 -0.434 1
1 28 . 6 1 1 A 11 11 ARG CA C 11 53.417 52.991 0.426 1
1 29 . 6 1 1 A 11 11 ARG CB C 11 29.953 32.588 -2.635 1
1 32 . 6 1 1 A 11 11 ARG N N 11 117.766 125.108 -7.342 1
1 33 . 6 1 1 A 12 12 PRO HA H 12 4.203 4.337 -0.134 1
1 40 . 6 1 1 A 12 12 PRO C C 12 176.483 176.156 0.327 1
1 41 . 6 1 1 A 12 12 PRO CA C 12 63.898 64.652 -0.754 1
1 42 . 6 1 1 A 12 12 PRO CB C 12 32.127 32.325 -0.198 1
1 45 . 6 1 1 A 13 13 PHE H H 13 7.791 7.321 0.470 1
1 46 . 6 1 1 A 13 13 PHE HA H 13 4.757 5.301 -0.544 1
1 54 . 6 1 1 A 13 13 PHE C C 13 174.511 174.355 0.156 1
1 55 . 6 1 1 A 13 13 PHE CA C 13 56.893 56.099 0.794 1
1 56 . 6 1 1 A 13 13 PHE CB C 13 39.090 43.241 -4.151 1
1 62 . 6 1 1 A 13 13 PHE N N 13 118.173 117.861 0.312 1
1 63 . 6 1 1 A 14 14 LYS H H 14 8.611 8.785 -0.174 1
1 64 . 6 1 1 A 14 14 LYS HA H 14 5.071 5.079 -0.008 1
1 73 . 6 1 1 A 14 14 LYS C C 14 175.322 173.942 1.380 1
1 74 . 6 1 1 A 14 14 LYS CA C 14 55.006 55.555 -0.549 1
1 75 . 6 1 1 A 14 14 LYS CB C 14 35.258 36.987 -1.729 1
1 79 . 6 1 1 A 14 14 LYS N N 14 124.455 120.883 3.572 1
1 80 . 6 1 1 A 15 15 CYS H H 15 9.115 9.213 -0.098 1
1 81 . 6 1 1 A 15 15 CYS HA H 15 4.549 5.020 -0.471 1
1 84 . 6 1 1 A 15 15 CYS C C 15 177.457 175.217 2.240 1
1 85 . 6 1 1 A 15 15 CYS CA C 15 59.450 57.520 1.930 1
1 86 . 6 1 1 A 15 15 CYS CB C 15 29.959 30.265 -0.306 1
1 87 . 6 1 1 A 15 15 CYS N N 15 125.796 124.088 1.708 1
1 88 . 6 1 1 A 16 16 ASN H H 16 9.439 9.150 0.289 1
1 89 . 6 1 1 A 16 16 ASN HA H 16 4.552 4.674 -0.122 1
1 94 . 6 1 1 A 16 16 ASN C C 16 175.327 177.392 -2.065 1
1 95 . 6 1 1 A 16 16 ASN CA C 16 55.429 54.930 0.499 1
1 96 . 6 1 1 A 16 16 ASN CB C 16 38.518 38.682 -0.164 1
1 97 . 6 1 1 A 16 16 ASN N N 16 130.041 126.238 3.803 1
1 99 . 6 1 1 A 17 17 GLU H H 17 9.013 8.029 0.984 1
1 100 . 6 1 1 A 17 17 GLU HA H 17 4.244 4.002 0.242 1
1 105 . 6 1 1 A 17 17 GLU C C 17 177.345 178.264 -0.919 1
1 106 . 6 1 1 A 17 17 GLU CA C 17 58.195 58.787 -0.592 1
1 107 . 6 1 1 A 17 17 GLU CB C 17 29.394 28.681 0.713 1
1 109 . 6 1 1 A 17 17 GLU N N 17 121.584 120.344 1.240 1
1 110 . 6 1 1 A 18 18 CYS H H 18 8.410 7.537 0.873 1
1 111 . 6 1 1 A 18 18 CYS HA H 18 5.193 4.730 0.463 1
1 114 . 6 1 1 A 18 18 CYS C C 18 176.413 175.520 0.893 1
1 115 . 6 1 1 A 18 18 CYS CA C 18 58.391 59.866 -1.475 1
1 116 . 6 1 1 A 18 18 CYS CB C 18 32.346 29.885 2.461 1
1 117 . 6 1 1 A 18 18 CYS N N 18 116.182 115.065 1.117 1
1 118 . 6 1 1 A 19 19 GLY H H 19 8.045 8.024 0.021 1
1 119 . 6 1 1 A 19 19 GLY HA2 H 19 4.260 4.102 0.158 1
1 120 . 6 1 1 A 19 19 GLY HA3 H 19 3.829 4.114 -0.285 1
1 121 . 6 1 1 A 19 19 GLY C C 19 173.661 174.675 -1.014 1
1 122 . 6 1 1 A 19 19 GLY CA C 19 46.298 45.017 1.281 1
1 123 . 6 1 1 A 19 19 GLY N N 19 113.361 109.818 3.543 1
1 124 . 6 1 1 A 20 20 LYS H H 20 7.930 7.536 0.394 1
1 125 . 6 1 1 A 20 20 LYS HA H 20 3.967 4.173 -0.206 1
1 134 . 6 1 1 A 20 20 LYS C C 20 174.605 175.531 -0.926 1
1 135 . 6 1 1 A 20 20 LYS CA C 20 58.241 56.446 1.795 1
1 136 . 6 1 1 A 20 20 LYS CB C 20 33.836 33.309 0.527 1
1 140 . 6 1 1 A 20 20 LYS N N 20 123.055 122.549 0.506 1
1 141 . 6 1 1 A 21 21 GLY H H 21 8.013 8.086 -0.073 1
1 142 . 6 1 1 A 21 21 GLY HA2 H 21 4.880 4.287 0.593 1
1 143 . 6 1 1 A 21 21 GLY HA3 H 21 3.336 4.422 -1.086 1
1 144 . 6 1 1 A 21 21 GLY CA C 21 44.008 44.134 -0.126 1
1 145 . 6 1 1 A 21 21 GLY N N 21 108.426 111.321 -2.895 1
1 146 . 6 1 1 A 22 22 PHE H H 22 8.731 8.620 0.111 1
1 147 . 6 1 1 A 22 22 PHE HA H 22 4.731 5.184 -0.453 1
1 155 . 6 1 1 A 22 22 PHE CA C 22 57.510 56.756 0.754 1
1 156 . 6 1 1 A 22 22 PHE CB C 22 44.105 43.786 0.319 1
1 162 . 6 1 1 A 22 22 PHE N N 22 117.792 120.740 -2.948 1
1 163 . 6 1 1 A 23 23 GLY HA2 H 23 4.454 4.037 0.417 1
1 164 . 6 1 1 A 23 23 GLY HA3 H 23 4.094 4.060 0.034 1
1 165 . 6 1 1 A 23 23 GLY CA C 23 45.710 46.636 -0.926 1
1 166 . 6 1 1 A 23 23 GLY N N 23 109.000 110.782 -1.782 1
1 167 . 6 1 1 A 24 24 ARG H H 24 7.197 7.848 -0.651 1
1 168 . 6 1 1 A 24 24 ARG HA H 24 4.743 4.659 0.084 1
1 175 . 6 1 1 A 24 24 ARG CA C 24 53.655 54.537 -0.882 1
1 176 . 6 1 1 A 24 24 ARG CB C 24 33.460 31.755 1.705 1
1 179 . 6 1 1 A 24 24 ARG N N 24 114.927 120.342 -5.415 1
1 180 . 6 1 1 A 25 25 ARG HA H 25 2.980 2.605 0.375 1
1 187 . 6 1 1 A 25 25 ARG CA C 25 59.693 59.209 0.484 1
1 188 . 6 1 1 A 25 25 ARG CB C 25 29.253 29.814 -0.561 1
1 191 . 6 1 1 A 26 26 SER HA H 26 4.092 3.988 0.104 1
1 194 . 6 1 1 A 26 26 SER C C 26 177.471 176.168 1.303 1
1 195 . 6 1 1 A 26 26 SER CA C 26 60.832 62.076 -1.244 1
1 196 . 6 1 1 A 26 26 SER CB C 26 61.616 62.943 -1.327 1
1 197 . 6 1 1 A 26 26 SER N N 26 120.568 116.026 4.542 1
1 198 . 6 1 1 A 27 27 HIS H H 27 6.799 7.593 -0.794 1
1 199 . 6 1 1 A 27 27 HIS HA H 27 4.556 4.257 0.299 1
1 204 . 6 1 1 A 27 27 HIS C C 27 178.281 177.603 0.678 1
1 205 . 6 1 1 A 27 27 HIS CA C 27 56.589 59.335 -2.746 1
1 206 . 6 1 1 A 27 27 HIS CB C 27 31.722 29.634 2.088 1
1 209 . 6 1 1 A 27 27 HIS N N 27 122.717 119.085 3.632 1
1 210 . 6 1 1 A 28 28 LEU H H 28 7.026 7.513 -0.487 1
1 211 . 6 1 1 A 28 28 LEU HA H 28 3.249 2.610 0.639 1
1 221 . 6 1 1 A 28 28 LEU C C 28 177.146 177.599 -0.453 1
1 222 . 6 1 1 A 28 28 LEU CA C 28 57.742 56.786 0.956 1
1 223 . 6 1 1 A 28 28 LEU CB C 28 40.422 42.044 -1.622 1
1 227 . 6 1 1 A 28 28 LEU N N 28 121.528 120.571 0.957 1
1 228 . 6 1 1 A 29 29 ALA H H 29 8.188 8.336 -0.148 1
1 229 . 6 1 1 A 29 29 ALA HA H 29 3.979 3.987 -0.008 1
1 233 . 6 1 1 A 29 29 ALA C C 29 180.981 180.209 0.772 1
1 234 . 6 1 1 A 29 29 ALA CA C 29 55.545 55.407 0.138 1
1 235 . 6 1 1 A 29 29 ALA CB C 29 17.763 18.404 -0.641 1
1 236 . 6 1 1 A 29 29 ALA N N 29 120.526 120.533 -0.007 1
1 237 . 6 1 1 A 30 30 GLY H H 30 7.724 7.873 -0.149 1
1 238 . 6 1 1 A 30 30 GLY HA2 H 30 3.886 3.574 0.312 1
1 239 . 6 1 1 A 30 30 GLY HA3 H 30 3.785 3.589 0.196 1
1 240 . 6 1 1 A 30 30 GLY C C 30 175.878 175.617 0.261 1
1 241 . 6 1 1 A 30 30 GLY CA C 30 46.909 47.063 -0.154 1
1 242 . 6 1 1 A 30 30 GLY N N 30 103.375 106.328 -2.953 1
1 243 . 6 1 1 A 31 31 HIS H H 31 7.499 8.295 -0.796 1
1 244 . 6 1 1 A 31 31 HIS HA H 31 4.195 4.082 0.113 1
1 249 . 6 1 1 A 31 31 HIS C C 31 176.680 176.268 0.412 1
1 250 . 6 1 1 A 31 31 HIS CA C 31 59.232 59.054 0.178 1
1 251 . 6 1 1 A 31 31 HIS CB C 31 28.775 30.024 -1.249 1
1 254 . 6 1 1 A 31 31 HIS N N 31 122.268 121.836 0.432 1
1 255 . 6 1 1 A 32 32 LEU H H 32 8.464 7.296 1.168 1
1 256 . 6 1 1 A 32 32 LEU HA H 32 3.900 4.300 -0.400 1
1 266 . 6 1 1 A 32 32 LEU C C 32 179.964 178.380 1.584 1
1 267 . 6 1 1 A 32 32 LEU CA C 32 58.183 55.675 2.508 1
1 268 . 6 1 1 A 32 32 LEU CB C 32 41.777 42.366 -0.589 1
1 272 . 6 1 1 A 32 32 LEU N N 32 118.124 118.727 -0.603 1
1 273 . 6 1 1 A 33 33 ARG H H 33 7.236 8.151 -0.915 1
1 274 . 6 1 1 A 33 33 ARG HA H 33 4.097 4.044 0.053 1
1 281 . 6 1 1 A 33 33 ARG C C 33 178.375 178.784 -0.409 1
1 282 . 6 1 1 A 33 33 ARG CA C 33 58.637 59.242 -0.605 1
1 283 . 6 1 1 A 33 33 ARG CB C 33 29.760 29.845 -0.085 1
1 286 . 6 1 1 A 33 33 ARG N N 33 117.491 119.735 -2.244 1
1 287 . 6 1 1 A 34 34 LEU H H 34 7.702 7.628 0.074 1
1 288 . 6 1 1 A 34 34 LEU HA H 34 4.031 3.996 0.035 1
1 298 . 6 1 1 A 34 34 LEU C C 34 178.952 179.122 -0.170 1
1 299 . 6 1 1 A 34 34 LEU CA C 34 56.816 57.637 -0.821 1
1 300 . 6 1 1 A 34 34 LEU CB C 34 40.886 41.005 -0.119 1
1 304 . 6 1 1 A 34 34 LEU N N 34 118.773 117.693 1.080 1
1 305 . 6 1 1 A 35 35 HIS H H 35 7.172 7.883 -0.711 1
1 306 . 6 1 1 A 35 35 HIS HA H 35 4.721 4.390 0.331 1
1 311 . 6 1 1 A 35 35 HIS C C 35 175.730 176.530 -0.800 1
1 312 . 6 1 1 A 35 35 HIS CA C 35 55.788 59.426 -3.638 1
1 313 . 6 1 1 A 35 35 HIS CB C 35 28.787 29.800 -1.013 1
1 316 . 6 1 1 A 35 35 HIS N N 35 115.314 118.821 -3.507 1
1 317 . 6 1 1 A 36 36 SER H H 36 7.773 7.612 0.161 1
1 318 . 6 1 1 A 36 36 SER HA H 36 4.410 4.402 0.008 1
1 321 . 6 1 1 A 36 36 SER C C 36 175.092 175.024 0.068 1
1 322 . 6 1 1 A 36 36 SER CA C 36 59.320 57.831 1.489 1
1 323 . 6 1 1 A 36 36 SER CB C 36 63.614 62.107 1.507 1
1 324 . 6 1 1 A 36 36 SER N N 36 114.851 112.559 2.292 1
1 325 . 6 1 1 A 37 37 ARG H H 37 8.264 8.313 -0.049 1
1 326 . 6 1 1 A 37 37 ARG HA H 37 4.340 4.631 -0.291 1
1 333 . 6 1 1 A 37 37 ARG C C 37 176.804 176.954 -0.150 1
1 334 . 6 1 1 A 37 37 ARG CA C 37 56.665 57.161 -0.496 1
1 335 . 6 1 1 A 37 37 ARG CB C 37 30.544 32.928 -2.384 1
1 338 . 6 1 1 A 37 37 ARG N N 37 122.680 123.603 -0.923 1
1 339 . 6 1 1 A 38 38 GLU H H 38 8.236 8.137 0.099 1
1 340 . 6 1 1 A 38 38 GLU HA H 38 4.242 4.354 -0.112 1
1 345 . 6 1 1 A 38 38 GLU C C 38 176.807 175.850 0.957 1
1 346 . 6 1 1 A 38 38 GLU CA C 38 56.861 56.292 0.569 1
1 347 . 6 1 1 A 38 38 GLU CB C 38 30.121 29.079 1.042 1
1 349 . 6 1 1 A 38 38 GLU N N 38 120.831 114.891 5.940 1
1 350 . 6 1 1 A 39 39 LYS H H 39 8.214 7.833 0.381 1
1 351 . 6 1 1 A 39 39 LYS HA H 39 4.337 4.890 -0.553 1
1 360 . 6 1 1 A 39 39 LYS C C 39 176.749 174.200 2.549 1
1 361 . 6 1 1 A 39 39 LYS CA C 39 56.498 55.143 1.355 1
1 362 . 6 1 1 A 39 39 LYS CB C 39 32.926 36.371 -3.445 1
1 366 . 6 1 1 A 39 39 LYS N N 39 121.436 118.460 2.976 1
1 367 . 6 1 1 A 40 40 SER H H 40 8.282 8.935 -0.653 1
1 368 . 6 1 1 A 40 40 SER HA H 40 4.471 5.380 -0.909 1
1 371 . 6 1 1 A 40 40 SER C C 40 174.618 173.120 1.498 1
1 372 . 6 1 1 A 40 40 SER CA C 40 58.313 56.239 2.074 1
1 373 . 6 1 1 A 40 40 SER CB C 40 63.713 66.256 -2.543 1
1 374 . 6 1 1 A 40 40 SER N N 40 116.652 116.120 0.532 1
1 375 . 6 1 1 A 41 41 SER H H 41 8.315 8.618 -0.303 1
1 376 . 6 1 1 A 41 41 SER HA H 41 4.505 4.906 -0.401 1
1 379 . 6 1 1 A 41 41 SER C C 41 174.491 175.064 -0.573 1
1 380 . 6 1 1 A 41 41 SER CA C 41 58.298 57.405 0.893 1
1 381 . 6 1 1 A 41 41 SER CB C 41 63.977 65.162 -1.185 1
1 382 . 6 1 1 A 41 41 SER N N 41 117.808 120.954 -3.146 1
1 383 . 6 1 1 A 42 42 GLY H H 42 8.209 8.350 -0.141 1
1 384 . 6 1 1 A 42 42 GLY HA2 H 42 4.137 4.007 0.130 1
1 385 . 6 1 1 A 42 42 GLY HA3 H 42 4.137 4.007 0.130 1
1 386 . 6 1 1 A 42 42 GLY C C 42 171.766 174.199 -2.433 1
1 387 . 6 1 1 A 42 42 GLY CA C 42 44.693 45.701 -1.008 1
1 388 . 6 1 1 A 42 42 GLY N N 42 110.577 110.111 0.466 1
1 389 . 6 1 1 A 43 43 PRO HA H 43 4.477 4.638 -0.161 1
1 396 . 6 1 1 A 43 43 PRO C C 43 177.379 176.109 1.270 1
1 397 . 6 1 1 A 43 43 PRO CA C 43 63.211 62.819 0.392 1
1 398 . 6 1 1 A 43 43 PRO CB C 43 32.181 31.450 0.731 1
1 401 . 6 1 1 A 44 44 SER H H 44 8.517 8.495 0.022 1
1 402 . 6 1 1 A 44 44 SER C C 44 174.661 172.729 1.932 1
1 403 . 6 1 1 A 44 44 SER CA C 44 58.543 58.010 0.533 1
1 404 . 6 1 1 A 44 44 SER CB C 44 64.118 66.844 -2.726 1
1 1 . 7 1 1 A 8 8 SER HA H 8 4.438 5.127 -0.689 1
1 4 . 7 1 1 A 8 8 SER CA C 8 58.600 57.476 1.124 1
1 5 . 7 1 1 A 8 8 SER CB C 8 63.792 65.417 -1.625 1
1 6 . 7 1 1 A 9 9 GLY H H 9 8.454 8.379 0.075 1
1 7 . 7 1 1 A 9 9 GLY HA2 H 9 3.938 4.114 -0.176 1
1 8 . 7 1 1 A 9 9 GLY HA3 H 9 3.938 4.125 -0.187 1
1 9 . 7 1 1 A 9 9 GLY CA C 9 45.227 45.935 -0.708 1
1 10 . 7 1 1 A 9 9 GLY N N 9 110.842 110.880 -0.038 1
1 11 . 7 1 1 A 10 10 GLU H H 10 8.211 8.413 -0.202 1
1 12 . 7 1 1 A 10 10 GLU HA H 10 4.206 4.536 -0.330 1
1 17 . 7 1 1 A 10 10 GLU CA C 10 56.709 55.840 0.869 1
1 18 . 7 1 1 A 10 10 GLU CB C 10 30.317 28.257 2.060 1
1 20 . 7 1 1 A 10 10 GLU N N 10 120.029 123.457 -3.428 1
1 21 . 7 1 1 A 11 11 ARG HA H 11 4.425 4.821 -0.396 1
1 28 . 7 1 1 A 11 11 ARG CA C 11 53.417 53.388 0.029 1
1 29 . 7 1 1 A 11 11 ARG CB C 11 29.953 31.399 -1.446 1
1 32 . 7 1 1 A 11 11 ARG N N 11 117.766 124.953 -7.187 1
1 33 . 7 1 1 A 12 12 PRO HA H 12 4.203 4.435 -0.232 1
1 40 . 7 1 1 A 12 12 PRO C C 12 176.483 176.355 0.128 1
1 41 . 7 1 1 A 12 12 PRO CA C 12 63.898 64.911 -1.013 1
1 42 . 7 1 1 A 12 12 PRO CB C 12 32.127 32.491 -0.364 1
1 45 . 7 1 1 A 13 13 PHE H H 13 7.791 7.270 0.521 1
1 46 . 7 1 1 A 13 13 PHE HA H 13 4.757 5.346 -0.589 1
1 54 . 7 1 1 A 13 13 PHE C C 13 174.511 174.405 0.106 1
1 55 . 7 1 1 A 13 13 PHE CA C 13 56.893 56.224 0.669 1
1 56 . 7 1 1 A 13 13 PHE CB C 13 39.090 42.867 -3.777 1
1 62 . 7 1 1 A 13 13 PHE N N 13 118.173 118.125 0.048 1
1 63 . 7 1 1 A 14 14 LYS H H 14 8.611 8.770 -0.159 1
1 64 . 7 1 1 A 14 14 LYS HA H 14 5.071 5.001 0.070 1
1 73 . 7 1 1 A 14 14 LYS C C 14 175.322 174.279 1.043 1
1 74 . 7 1 1 A 14 14 LYS CA C 14 55.006 55.590 -0.584 1
1 75 . 7 1 1 A 14 14 LYS CB C 14 35.258 36.994 -1.736 1
1 79 . 7 1 1 A 14 14 LYS N N 14 124.455 120.153 4.302 1
1 80 . 7 1 1 A 15 15 CYS H H 15 9.115 8.966 0.149 1
1 81 . 7 1 1 A 15 15 CYS HA H 15 4.549 4.853 -0.304 1
1 84 . 7 1 1 A 15 15 CYS C C 15 177.457 176.178 1.279 1
1 85 . 7 1 1 A 15 15 CYS CA C 15 59.450 58.073 1.377 1
1 86 . 7 1 1 A 15 15 CYS CB C 15 29.959 30.074 -0.115 1
1 87 . 7 1 1 A 15 15 CYS N N 15 125.796 123.989 1.807 1
1 88 . 7 1 1 A 16 16 ASN H H 16 9.439 9.377 0.062 1
1 89 . 7 1 1 A 16 16 ASN HA H 16 4.552 5.054 -0.502 1
1 94 . 7 1 1 A 16 16 ASN C C 16 175.327 175.712 -0.385 1
1 95 . 7 1 1 A 16 16 ASN CA C 16 55.429 53.357 2.072 1
1 96 . 7 1 1 A 16 16 ASN CB C 16 38.518 38.831 -0.313 1
1 97 . 7 1 1 A 16 16 ASN N N 16 130.041 127.052 2.989 1
1 99 . 7 1 1 A 17 17 GLU H H 17 9.013 7.542 1.471 1
1 100 . 7 1 1 A 17 17 GLU HA H 17 4.244 4.429 -0.185 1
1 105 . 7 1 1 A 17 17 GLU C C 17 177.345 178.071 -0.726 1
1 106 . 7 1 1 A 17 17 GLU CA C 17 58.195 57.319 0.876 1
1 107 . 7 1 1 A 17 17 GLU CB C 17 29.394 31.030 -1.636 1
1 109 . 7 1 1 A 17 17 GLU N N 17 121.584 118.244 3.340 1
1 110 . 7 1 1 A 18 18 CYS H H 18 8.410 8.109 0.301 1
1 111 . 7 1 1 A 18 18 CYS HA H 18 5.193 4.706 0.487 1
1 114 . 7 1 1 A 18 18 CYS C C 18 176.413 175.446 0.967 1
1 115 . 7 1 1 A 18 18 CYS CA C 18 58.391 59.827 -1.436 1
1 116 . 7 1 1 A 18 18 CYS CB C 18 32.346 29.875 2.471 1
1 117 . 7 1 1 A 18 18 CYS N N 18 116.182 114.870 1.312 1
1 118 . 7 1 1 A 19 19 GLY H H 19 8.045 7.999 0.046 1
1 119 . 7 1 1 A 19 19 GLY HA2 H 19 4.260 4.102 0.158 1
1 120 . 7 1 1 A 19 19 GLY HA3 H 19 3.829 4.110 -0.281 1
1 121 . 7 1 1 A 19 19 GLY C C 19 173.661 174.581 -0.920 1
1 122 . 7 1 1 A 19 19 GLY CA C 19 46.298 45.018 1.280 1
1 123 . 7 1 1 A 19 19 GLY N N 19 113.361 109.805 3.556 1
1 124 . 7 1 1 A 20 20 LYS H H 20 7.930 7.983 -0.053 1
1 125 . 7 1 1 A 20 20 LYS HA H 20 3.967 4.328 -0.361 1
1 134 . 7 1 1 A 20 20 LYS C C 20 174.605 175.743 -1.138 1
1 135 . 7 1 1 A 20 20 LYS CA C 20 58.241 55.997 2.244 1
1 136 . 7 1 1 A 20 20 LYS CB C 20 33.836 33.596 0.240 1
1 140 . 7 1 1 A 20 20 LYS N N 20 123.055 122.088 0.967 1
1 141 . 7 1 1 A 21 21 GLY H H 21 8.013 8.150 -0.137 1
1 142 . 7 1 1 A 21 21 GLY HA2 H 21 4.880 4.330 0.550 1
1 143 . 7 1 1 A 21 21 GLY HA3 H 21 3.336 4.466 -1.130 1
1 144 . 7 1 1 A 21 21 GLY CA C 21 44.008 44.138 -0.130 1
1 145 . 7 1 1 A 21 21 GLY N N 21 108.426 111.351 -2.925 1
1 146 . 7 1 1 A 22 22 PHE H H 22 8.731 9.034 -0.303 1
1 147 . 7 1 1 A 22 22 PHE HA H 22 4.731 5.121 -0.390 1
1 155 . 7 1 1 A 22 22 PHE CA C 22 57.510 56.498 1.012 1
1 156 . 7 1 1 A 22 22 PHE CB C 22 44.105 43.750 0.355 1
1 162 . 7 1 1 A 22 22 PHE N N 22 117.792 121.192 -3.400 1
1 163 . 7 1 1 A 23 23 GLY HA2 H 23 4.454 3.943 0.511 1
1 164 . 7 1 1 A 23 23 GLY HA3 H 23 4.094 3.967 0.127 1
1 165 . 7 1 1 A 23 23 GLY CA C 23 45.710 46.699 -0.989 1
1 166 . 7 1 1 A 23 23 GLY N N 23 109.000 110.700 -1.700 1
1 167 . 7 1 1 A 24 24 ARG H H 24 7.197 7.744 -0.547 1
1 168 . 7 1 1 A 24 24 ARG HA H 24 4.743 4.509 0.234 1
1 175 . 7 1 1 A 24 24 ARG CA C 24 53.655 54.253 -0.598 1
1 176 . 7 1 1 A 24 24 ARG CB C 24 33.460 32.281 1.179 1
1 179 . 7 1 1 A 24 24 ARG N N 24 114.927 120.375 -5.448 1
1 180 . 7 1 1 A 25 25 ARG HA H 25 2.980 2.652 0.328 1
1 187 . 7 1 1 A 25 25 ARG CA C 25 59.693 59.408 0.285 1
1 188 . 7 1 1 A 25 25 ARG CB C 25 29.253 29.872 -0.619 1
1 191 . 7 1 1 A 26 26 SER HA H 26 4.092 4.139 -0.047 1
1 194 . 7 1 1 A 26 26 SER C C 26 177.471 177.173 0.298 1
1 195 . 7 1 1 A 26 26 SER CA C 26 60.832 60.995 -0.163 1
1 196 . 7 1 1 A 26 26 SER CB C 26 61.616 63.043 -1.427 1
1 197 . 7 1 1 A 26 26 SER N N 26 120.568 113.712 6.856 1
1 198 . 7 1 1 A 27 27 HIS H H 27 6.799 7.712 -0.913 1
1 199 . 7 1 1 A 27 27 HIS HA H 27 4.556 4.252 0.304 1
1 204 . 7 1 1 A 27 27 HIS C C 27 178.281 177.667 0.614 1
1 205 . 7 1 1 A 27 27 HIS CA C 27 56.589 59.173 -2.584 1
1 206 . 7 1 1 A 27 27 HIS CB C 27 31.722 29.689 2.033 1
1 209 . 7 1 1 A 27 27 HIS N N 27 122.717 119.368 3.349 1
1 210 . 7 1 1 A 28 28 LEU H H 28 7.026 7.800 -0.774 1
1 211 . 7 1 1 A 28 28 LEU HA H 28 3.249 2.690 0.559 1
1 221 . 7 1 1 A 28 28 LEU C C 28 177.146 177.686 -0.540 1
1 222 . 7 1 1 A 28 28 LEU CA C 28 57.742 56.821 0.921 1
1 223 . 7 1 1 A 28 28 LEU CB C 28 40.422 41.986 -1.564 1
1 227 . 7 1 1 A 28 28 LEU N N 28 121.528 120.592 0.936 1
1 228 . 7 1 1 A 29 29 ALA H H 29 8.188 8.345 -0.157 1
1 229 . 7 1 1 A 29 29 ALA HA H 29 3.979 4.025 -0.046 1
1 233 . 7 1 1 A 29 29 ALA C C 29 180.981 180.306 0.675 1
1 234 . 7 1 1 A 29 29 ALA CA C 29 55.545 55.472 0.073 1
1 235 . 7 1 1 A 29 29 ALA CB C 29 17.763 18.316 -0.553 1
1 236 . 7 1 1 A 29 29 ALA N N 29 120.526 120.580 -0.054 1
1 237 . 7 1 1 A 30 30 GLY H H 30 7.724 7.950 -0.226 1
1 238 . 7 1 1 A 30 30 GLY HA2 H 30 3.886 3.568 0.318 1
1 239 . 7 1 1 A 30 30 GLY HA3 H 30 3.785 3.590 0.195 1
1 240 . 7 1 1 A 30 30 GLY C C 30 175.878 175.696 0.182 1
1 241 . 7 1 1 A 30 30 GLY CA C 30 46.909 47.068 -0.159 1
1 242 . 7 1 1 A 30 30 GLY N N 30 103.375 105.820 -2.445 1
1 243 . 7 1 1 A 31 31 HIS H H 31 7.499 8.272 -0.773 1
1 244 . 7 1 1 A 31 31 HIS HA H 31 4.195 4.097 0.098 1
1 249 . 7 1 1 A 31 31 HIS C C 31 176.680 176.589 0.091 1
1 250 . 7 1 1 A 31 31 HIS CA C 31 59.232 59.093 0.139 1
1 251 . 7 1 1 A 31 31 HIS CB C 31 28.775 29.936 -1.161 1
1 254 . 7 1 1 A 31 31 HIS N N 31 122.268 121.800 0.468 1
1 255 . 7 1 1 A 32 32 LEU H H 32 8.464 7.245 1.219 1
1 256 . 7 1 1 A 32 32 LEU HA H 32 3.900 4.282 -0.382 1
1 266 . 7 1 1 A 32 32 LEU C C 32 179.964 178.707 1.257 1
1 267 . 7 1 1 A 32 32 LEU CA C 32 58.183 56.380 1.803 1
1 268 . 7 1 1 A 32 32 LEU CB C 32 41.777 42.185 -0.408 1
1 272 . 7 1 1 A 32 32 LEU N N 32 118.124 118.627 -0.503 1
1 273 . 7 1 1 A 33 33 ARG H H 33 7.236 7.692 -0.456 1
1 274 . 7 1 1 A 33 33 ARG HA H 33 4.097 4.040 0.057 1
1 281 . 7 1 1 A 33 33 ARG C C 33 178.375 178.530 -0.155 1
1 282 . 7 1 1 A 33 33 ARG CA C 33 58.637 59.265 -0.628 1
1 283 . 7 1 1 A 33 33 ARG CB C 33 29.760 30.017 -0.257 1
1 286 . 7 1 1 A 33 33 ARG N N 33 117.491 119.306 -1.815 1
1 287 . 7 1 1 A 34 34 LEU H H 34 7.702 7.117 0.585 1
1 288 . 7 1 1 A 34 34 LEU HA H 34 4.031 3.987 0.044 1
1 298 . 7 1 1 A 34 34 LEU C C 34 178.952 179.127 -0.175 1
1 299 . 7 1 1 A 34 34 LEU CA C 34 56.816 57.648 -0.832 1
1 300 . 7 1 1 A 34 34 LEU CB C 34 40.886 41.063 -0.177 1
1 304 . 7 1 1 A 34 34 LEU N N 34 118.773 117.664 1.109 1
1 305 . 7 1 1 A 35 35 HIS H H 35 7.172 7.746 -0.574 1
1 306 . 7 1 1 A 35 35 HIS HA H 35 4.721 4.390 0.331 1
1 311 . 7 1 1 A 35 35 HIS C C 35 175.730 176.132 -0.402 1
1 312 . 7 1 1 A 35 35 HIS CA C 35 55.788 59.469 -3.681 1
1 313 . 7 1 1 A 35 35 HIS CB C 35 28.787 29.819 -1.032 1
1 316 . 7 1 1 A 35 35 HIS N N 35 115.314 119.027 -3.713 1
1 317 . 7 1 1 A 36 36 SER H H 36 7.773 7.580 0.193 1
1 318 . 7 1 1 A 36 36 SER HA H 36 4.410 4.656 -0.246 1
1 321 . 7 1 1 A 36 36 SER C C 36 175.092 174.094 0.998 1
1 322 . 7 1 1 A 36 36 SER CA C 36 59.320 57.974 1.346 1
1 323 . 7 1 1 A 36 36 SER CB C 36 63.614 63.065 0.549 1
1 324 . 7 1 1 A 36 36 SER N N 36 114.851 111.351 3.500 1
1 325 . 7 1 1 A 37 37 ARG H H 37 8.264 7.381 0.883 1
1 326 . 7 1 1 A 37 37 ARG HA H 37 4.340 4.310 0.030 1
1 333 . 7 1 1 A 37 37 ARG C C 37 176.804 176.474 0.330 1
1 334 . 7 1 1 A 37 37 ARG CA C 37 56.665 55.675 0.990 1
1 335 . 7 1 1 A 37 37 ARG CB C 37 30.544 31.734 -1.190 1
1 338 . 7 1 1 A 37 37 ARG N N 37 122.680 123.977 -1.297 1
1 339 . 7 1 1 A 38 38 GLU H H 38 8.236 9.105 -0.869 1
1 340 . 7 1 1 A 38 38 GLU HA H 38 4.242 3.979 0.263 1
1 345 . 7 1 1 A 38 38 GLU C C 38 176.807 176.385 0.422 1
1 346 . 7 1 1 A 38 38 GLU CA C 38 56.861 57.227 -0.366 1
1 347 . 7 1 1 A 38 38 GLU CB C 38 30.121 28.488 1.633 1
1 349 . 7 1 1 A 38 38 GLU N N 38 120.831 125.742 -4.911 1
1 350 . 7 1 1 A 39 39 LYS H H 39 8.214 7.768 0.446 1
1 351 . 7 1 1 A 39 39 LYS HA H 39 4.337 4.007 0.330 1
1 360 . 7 1 1 A 39 39 LYS C C 39 176.749 177.016 -0.267 1
1 361 . 7 1 1 A 39 39 LYS CA C 39 56.498 57.568 -1.070 1
1 362 . 7 1 1 A 39 39 LYS CB C 39 32.926 32.493 0.433 1
1 366 . 7 1 1 A 39 39 LYS N N 39 121.436 120.655 0.781 1
1 367 . 7 1 1 A 40 40 SER H H 40 8.282 8.832 -0.550 1
1 368 . 7 1 1 A 40 40 SER HA H 40 4.471 4.080 0.391 1
1 371 . 7 1 1 A 40 40 SER C C 40 174.618 173.305 1.313 1
1 372 . 7 1 1 A 40 40 SER CA C 40 58.313 58.998 -0.685 1
1 373 . 7 1 1 A 40 40 SER CB C 40 63.713 61.484 2.229 1
1 374 . 7 1 1 A 40 40 SER N N 40 116.652 121.914 -5.262 1
1 375 . 7 1 1 A 41 41 SER H H 41 8.315 7.861 0.454 1
1 376 . 7 1 1 A 41 41 SER HA H 41 4.505 4.370 0.135 1
1 379 . 7 1 1 A 41 41 SER C C 41 174.491 175.176 -0.685 1
1 380 . 7 1 1 A 41 41 SER CA C 41 58.298 59.816 -1.518 1
1 381 . 7 1 1 A 41 41 SER CB C 41 63.977 63.834 0.143 1
1 382 . 7 1 1 A 41 41 SER N N 41 117.808 116.821 0.987 1
1 383 . 7 1 1 A 42 42 GLY H H 42 8.209 8.608 -0.399 1
1 384 . 7 1 1 A 42 42 GLY HA2 H 42 4.137 3.949 0.188 1
1 385 . 7 1 1 A 42 42 GLY HA3 H 42 4.137 3.950 0.187 1
1 386 . 7 1 1 A 42 42 GLY C C 42 171.766 173.714 -1.948 1
1 387 . 7 1 1 A 42 42 GLY CA C 42 44.693 45.216 -0.523 1
1 388 . 7 1 1 A 42 42 GLY N N 42 110.577 112.204 -1.627 1
1 389 . 7 1 1 A 43 43 PRO HA H 43 4.477 4.520 -0.043 1
1 396 . 7 1 1 A 43 43 PRO C C 43 177.379 177.219 0.160 1
1 397 . 7 1 1 A 43 43 PRO CA C 43 63.211 62.489 0.722 1
1 398 . 7 1 1 A 43 43 PRO CB C 43 32.181 32.496 -0.315 1
1 401 . 7 1 1 A 44 44 SER H H 44 8.517 8.799 -0.282 1
1 402 . 7 1 1 A 44 44 SER C C 44 174.661 174.869 -0.208 1
1 403 . 7 1 1 A 44 44 SER CA C 44 58.543 61.197 -2.654 1
1 404 . 7 1 1 A 44 44 SER CB C 44 64.118 63.170 0.948 1
1 1 . 8 1 1 A 8 8 SER HA H 8 4.438 4.796 -0.358 1
1 4 . 8 1 1 A 8 8 SER CA C 8 58.600 58.121 0.479 1
1 5 . 8 1 1 A 8 8 SER CB C 8 63.792 64.085 -0.293 1
1 6 . 8 1 1 A 9 9 GLY H H 9 8.454 8.379 0.075 1
1 7 . 8 1 1 A 9 9 GLY HA2 H 9 3.938 4.125 -0.187 1
1 8 . 8 1 1 A 9 9 GLY HA3 H 9 3.938 4.132 -0.194 1
1 9 . 8 1 1 A 9 9 GLY CA C 9 45.227 45.659 -0.432 1
1 10 . 8 1 1 A 9 9 GLY N N 9 110.842 108.672 2.170 1
1 11 . 8 1 1 A 10 10 GLU H H 10 8.211 8.709 -0.498 1
1 12 . 8 1 1 A 10 10 GLU HA H 10 4.206 4.619 -0.413 1
1 17 . 8 1 1 A 10 10 GLU CA C 10 56.709 55.538 1.171 1
1 18 . 8 1 1 A 10 10 GLU CB C 10 30.317 29.494 0.823 1
1 20 . 8 1 1 A 10 10 GLU N N 10 120.029 125.551 -5.522 1
1 21 . 8 1 1 A 11 11 ARG HA H 11 4.425 4.868 -0.443 1
1 28 . 8 1 1 A 11 11 ARG CA C 11 53.417 52.915 0.502 1
1 29 . 8 1 1 A 11 11 ARG CB C 11 29.953 31.229 -1.276 1
1 32 . 8 1 1 A 11 11 ARG N N 11 117.766 125.782 -8.016 1
1 33 . 8 1 1 A 12 12 PRO HA H 12 4.203 4.422 -0.219 1
1 40 . 8 1 1 A 12 12 PRO C C 12 176.483 176.300 0.183 1
1 41 . 8 1 1 A 12 12 PRO CA C 12 63.898 64.662 -0.764 1
1 42 . 8 1 1 A 12 12 PRO CB C 12 32.127 32.354 -0.227 1
1 45 . 8 1 1 A 13 13 PHE H H 13 7.791 7.333 0.458 1
1 46 . 8 1 1 A 13 13 PHE HA H 13 4.757 5.292 -0.535 1
1 54 . 8 1 1 A 13 13 PHE C C 13 174.511 174.311 0.200 1
1 55 . 8 1 1 A 13 13 PHE CA C 13 56.893 56.142 0.751 1
1 56 . 8 1 1 A 13 13 PHE CB C 13 39.090 42.956 -3.866 1
1 62 . 8 1 1 A 13 13 PHE N N 13 118.173 117.888 0.285 1
1 63 . 8 1 1 A 14 14 LYS H H 14 8.611 8.842 -0.231 1
1 64 . 8 1 1 A 14 14 LYS HA H 14 5.071 5.325 -0.254 1
1 73 . 8 1 1 A 14 14 LYS C C 14 175.322 173.605 1.717 1
1 74 . 8 1 1 A 14 14 LYS CA C 14 55.006 55.424 -0.418 1
1 75 . 8 1 1 A 14 14 LYS CB C 14 35.258 36.792 -1.534 1
1 79 . 8 1 1 A 14 14 LYS N N 14 124.455 120.264 4.191 1
1 80 . 8 1 1 A 15 15 CYS H H 15 9.115 9.112 0.003 1
1 81 . 8 1 1 A 15 15 CYS HA H 15 4.549 5.093 -0.544 1
1 84 . 8 1 1 A 15 15 CYS C C 15 177.457 175.642 1.815 1
1 85 . 8 1 1 A 15 15 CYS CA C 15 59.450 57.133 2.317 1
1 86 . 8 1 1 A 15 15 CYS CB C 15 29.959 30.728 -0.769 1
1 87 . 8 1 1 A 15 15 CYS N N 15 125.796 122.871 2.925 1
1 88 . 8 1 1 A 16 16 ASN H H 16 9.439 9.337 0.102 1
1 89 . 8 1 1 A 16 16 ASN HA H 16 4.552 4.885 -0.333 1
1 94 . 8 1 1 A 16 16 ASN C C 16 175.327 175.522 -0.195 1
1 95 . 8 1 1 A 16 16 ASN CA C 16 55.429 53.617 1.812 1
1 96 . 8 1 1 A 16 16 ASN CB C 16 38.518 38.803 -0.285 1
1 97 . 8 1 1 A 16 16 ASN N N 16 130.041 126.816 3.225 1
1 99 . 8 1 1 A 17 17 GLU H H 17 9.013 7.559 1.454 1
1 100 . 8 1 1 A 17 17 GLU HA H 17 4.244 4.406 -0.162 1
1 105 . 8 1 1 A 17 17 GLU C C 17 177.345 178.129 -0.784 1
1 106 . 8 1 1 A 17 17 GLU CA C 17 58.195 57.286 0.909 1
1 107 . 8 1 1 A 17 17 GLU CB C 17 29.394 31.141 -1.747 1
1 109 . 8 1 1 A 17 17 GLU N N 17 121.584 117.998 3.586 1
1 110 . 8 1 1 A 18 18 CYS H H 18 8.410 8.126 0.284 1
1 111 . 8 1 1 A 18 18 CYS HA H 18 5.193 4.725 0.468 1
1 114 . 8 1 1 A 18 18 CYS C C 18 176.413 175.452 0.961 1
1 115 . 8 1 1 A 18 18 CYS CA C 18 58.391 59.639 -1.248 1
1 116 . 8 1 1 A 18 18 CYS CB C 18 32.346 30.002 2.344 1
1 117 . 8 1 1 A 18 18 CYS N N 18 116.182 114.703 1.479 1
1 118 . 8 1 1 A 19 19 GLY H H 19 8.045 8.009 0.036 1
1 119 . 8 1 1 A 19 19 GLY HA2 H 19 4.260 4.104 0.156 1
1 120 . 8 1 1 A 19 19 GLY HA3 H 19 3.829 4.113 -0.284 1
1 121 . 8 1 1 A 19 19 GLY C C 19 173.661 174.584 -0.923 1
1 122 . 8 1 1 A 19 19 GLY CA C 19 46.298 45.009 1.289 1
1 123 . 8 1 1 A 19 19 GLY N N 19 113.361 109.844 3.517 1
1 124 . 8 1 1 A 20 20 LYS H H 20 7.930 7.994 -0.064 1
1 125 . 8 1 1 A 20 20 LYS HA H 20 3.967 4.333 -0.366 1
1 134 . 8 1 1 A 20 20 LYS C C 20 174.605 175.948 -1.343 1
1 135 . 8 1 1 A 20 20 LYS CA C 20 58.241 56.041 2.200 1
1 136 . 8 1 1 A 20 20 LYS CB C 20 33.836 33.615 0.221 1
1 140 . 8 1 1 A 20 20 LYS N N 20 123.055 122.108 0.947 1
1 141 . 8 1 1 A 21 21 GLY H H 21 8.013 8.189 -0.176 1
1 142 . 8 1 1 A 21 21 GLY HA2 H 21 4.880 4.329 0.551 1
1 143 . 8 1 1 A 21 21 GLY HA3 H 21 3.336 4.478 -1.142 1
1 144 . 8 1 1 A 21 21 GLY CA C 21 44.008 44.166 -0.158 1
1 145 . 8 1 1 A 21 21 GLY N N 21 108.426 111.170 -2.744 1
1 146 . 8 1 1 A 22 22 PHE H H 22 8.731 8.676 0.055 1
1 147 . 8 1 1 A 22 22 PHE HA H 22 4.731 5.153 -0.422 1
1 155 . 8 1 1 A 22 22 PHE CA C 22 57.510 56.510 1.000 1
1 156 . 8 1 1 A 22 22 PHE CB C 22 44.105 43.818 0.287 1
1 162 . 8 1 1 A 22 22 PHE N N 22 117.792 121.587 -3.795 1
1 163 . 8 1 1 A 23 23 GLY HA2 H 23 4.454 3.957 0.497 1
1 164 . 8 1 1 A 23 23 GLY HA3 H 23 4.094 4.013 0.081 1
1 165 . 8 1 1 A 23 23 GLY CA C 23 45.710 46.698 -0.988 1
1 166 . 8 1 1 A 23 23 GLY N N 23 109.000 110.743 -1.743 1
1 167 . 8 1 1 A 24 24 ARG H H 24 7.197 7.624 -0.427 1
1 168 . 8 1 1 A 24 24 ARG HA H 24 4.743 4.381 0.362 1
1 175 . 8 1 1 A 24 24 ARG CA C 24 53.655 54.852 -1.197 1
1 176 . 8 1 1 A 24 24 ARG CB C 24 33.460 31.113 2.347 1
1 179 . 8 1 1 A 24 24 ARG N N 24 114.927 120.092 -5.165 1
1 180 . 8 1 1 A 25 25 ARG HA H 25 2.980 2.726 0.254 1
1 187 . 8 1 1 A 25 25 ARG CA C 25 59.693 59.542 0.151 1
1 188 . 8 1 1 A 25 25 ARG CB C 25 29.253 29.585 -0.332 1
1 191 . 8 1 1 A 26 26 SER HA H 26 4.092 4.161 -0.069 1
1 194 . 8 1 1 A 26 26 SER C C 26 177.471 177.305 0.166 1
1 195 . 8 1 1 A 26 26 SER CA C 26 60.832 61.031 -0.199 1
1 196 . 8 1 1 A 26 26 SER CB C 26 61.616 62.744 -1.128 1
1 197 . 8 1 1 A 26 26 SER N N 26 120.568 114.012 6.556 1
1 198 . 8 1 1 A 27 27 HIS H H 27 6.799 7.744 -0.945 1
1 199 . 8 1 1 A 27 27 HIS HA H 27 4.556 4.273 0.283 1
1 204 . 8 1 1 A 27 27 HIS C C 27 178.281 177.532 0.749 1
1 205 . 8 1 1 A 27 27 HIS CA C 27 56.589 58.958 -2.369 1
1 206 . 8 1 1 A 27 27 HIS CB C 27 31.722 29.620 2.102 1
1 209 . 8 1 1 A 27 27 HIS N N 27 122.717 119.434 3.283 1
1 210 . 8 1 1 A 28 28 LEU H H 28 7.026 7.436 -0.410 1
1 211 . 8 1 1 A 28 28 LEU HA H 28 3.249 2.720 0.529 1
1 221 . 8 1 1 A 28 28 LEU C C 28 177.146 177.602 -0.456 1
1 222 . 8 1 1 A 28 28 LEU CA C 28 57.742 56.989 0.753 1
1 223 . 8 1 1 A 28 28 LEU CB C 28 40.422 41.962 -1.540 1
1 227 . 8 1 1 A 28 28 LEU N N 28 121.528 120.452 1.076 1
1 228 . 8 1 1 A 29 29 ALA H H 29 8.188 8.388 -0.200 1
1 229 . 8 1 1 A 29 29 ALA HA H 29 3.979 4.020 -0.041 1
1 233 . 8 1 1 A 29 29 ALA C C 29 180.981 180.313 0.668 1
1 234 . 8 1 1 A 29 29 ALA CA C 29 55.545 55.449 0.096 1
1 235 . 8 1 1 A 29 29 ALA CB C 29 17.763 18.377 -0.614 1
1 236 . 8 1 1 A 29 29 ALA N N 29 120.526 120.203 0.323 1
1 237 . 8 1 1 A 30 30 GLY H H 30 7.724 8.034 -0.310 1
1 238 . 8 1 1 A 30 30 GLY HA2 H 30 3.886 3.564 0.322 1
1 239 . 8 1 1 A 30 30 GLY HA3 H 30 3.785 3.584 0.201 1
1 240 . 8 1 1 A 30 30 GLY C C 30 175.878 175.689 0.189 1
1 241 . 8 1 1 A 30 30 GLY CA C 30 46.909 47.063 -0.154 1
1 242 . 8 1 1 A 30 30 GLY N N 30 103.375 105.936 -2.561 1
1 243 . 8 1 1 A 31 31 HIS H H 31 7.499 8.295 -0.796 1
1 244 . 8 1 1 A 31 31 HIS HA H 31 4.195 4.086 0.109 1
1 249 . 8 1 1 A 31 31 HIS C C 31 176.680 176.575 0.105 1
1 250 . 8 1 1 A 31 31 HIS CA C 31 59.232 59.173 0.059 1
1 251 . 8 1 1 A 31 31 HIS CB C 31 28.775 30.030 -1.255 1
1 254 . 8 1 1 A 31 31 HIS N N 31 122.268 121.799 0.469 1
1 255 . 8 1 1 A 32 32 LEU H H 32 8.464 7.299 1.165 1
1 256 . 8 1 1 A 32 32 LEU HA H 32 3.900 4.263 -0.363 1
1 266 . 8 1 1 A 32 32 LEU C C 32 179.964 178.758 1.206 1
1 267 . 8 1 1 A 32 32 LEU CA C 32 58.183 56.485 1.698 1
1 268 . 8 1 1 A 32 32 LEU CB C 32 41.777 42.164 -0.387 1
1 272 . 8 1 1 A 32 32 LEU N N 32 118.124 118.617 -0.493 1
1 273 . 8 1 1 A 33 33 ARG H H 33 7.236 7.917 -0.681 1
1 274 . 8 1 1 A 33 33 ARG HA H 33 4.097 4.029 0.068 1
1 281 . 8 1 1 A 33 33 ARG C C 33 178.375 178.638 -0.263 1
1 282 . 8 1 1 A 33 33 ARG CA C 33 58.637 59.265 -0.628 1
1 283 . 8 1 1 A 33 33 ARG CB C 33 29.760 30.016 -0.256 1
1 286 . 8 1 1 A 33 33 ARG N N 33 117.491 119.674 -2.183 1
1 287 . 8 1 1 A 34 34 LEU H H 34 7.702 7.045 0.657 1
1 288 . 8 1 1 A 34 34 LEU HA H 34 4.031 4.030 0.001 1
1 298 . 8 1 1 A 34 34 LEU C C 34 178.952 179.195 -0.243 1
1 299 . 8 1 1 A 34 34 LEU CA C 34 56.816 57.236 -0.420 1
1 300 . 8 1 1 A 34 34 LEU CB C 34 40.886 41.144 -0.258 1
1 304 . 8 1 1 A 34 34 LEU N N 34 118.773 117.442 1.331 1
1 305 . 8 1 1 A 35 35 HIS H H 35 7.172 7.880 -0.708 1
1 306 . 8 1 1 A 35 35 HIS HA H 35 4.721 4.164 0.557 1
1 311 . 8 1 1 A 35 35 HIS C C 35 175.730 177.664 -1.934 1
1 312 . 8 1 1 A 35 35 HIS CA C 35 55.788 59.894 -4.106 1
1 313 . 8 1 1 A 35 35 HIS CB C 35 28.787 29.816 -1.029 1
1 316 . 8 1 1 A 35 35 HIS N N 35 115.314 118.833 -3.519 1
1 317 . 8 1 1 A 36 36 SER H H 36 7.773 7.797 -0.024 1
1 318 . 8 1 1 A 36 36 SER HA H 36 4.410 4.228 0.182 1
1 321 . 8 1 1 A 36 36 SER C C 36 175.092 176.644 -1.552 1
1 322 . 8 1 1 A 36 36 SER CA C 36 59.320 60.896 -1.576 1
1 323 . 8 1 1 A 36 36 SER CB C 36 63.614 63.372 0.242 1
1 324 . 8 1 1 A 36 36 SER N N 36 114.851 115.255 -0.404 1
1 325 . 8 1 1 A 37 37 ARG H H 37 8.264 7.906 0.358 1
1 326 . 8 1 1 A 37 37 ARG HA H 37 4.340 3.927 0.413 1
1 333 . 8 1 1 A 37 37 ARG C C 37 176.804 178.640 -1.836 1
1 334 . 8 1 1 A 37 37 ARG CA C 37 56.665 59.748 -3.083 1
1 335 . 8 1 1 A 37 37 ARG CB C 37 30.544 30.045 0.499 1
1 338 . 8 1 1 A 37 37 ARG N N 37 122.680 121.348 1.332 1
1 339 . 8 1 1 A 38 38 GLU H H 38 8.236 7.836 0.400 1
1 340 . 8 1 1 A 38 38 GLU HA H 38 4.242 4.199 0.043 1
1 345 . 8 1 1 A 38 38 GLU C C 38 176.807 178.634 -1.827 1
1 346 . 8 1 1 A 38 38 GLU CA C 38 56.861 58.602 -1.741 1
1 347 . 8 1 1 A 38 38 GLU CB C 38 30.121 30.142 -0.021 1
1 349 . 8 1 1 A 38 38 GLU N N 38 120.831 119.286 1.545 1
1 350 . 8 1 1 A 39 39 LYS H H 39 8.214 7.837 0.377 1
1 351 . 8 1 1 A 39 39 LYS HA H 39 4.337 4.031 0.306 1
1 360 . 8 1 1 A 39 39 LYS C C 39 176.749 177.524 -0.775 1
1 361 . 8 1 1 A 39 39 LYS CA C 39 56.498 58.938 -2.440 1
1 362 . 8 1 1 A 39 39 LYS CB C 39 32.926 32.072 0.854 1
1 366 . 8 1 1 A 39 39 LYS N N 39 121.436 120.343 1.093 1
1 367 . 8 1 1 A 40 40 SER H H 40 8.282 7.634 0.648 1
1 368 . 8 1 1 A 40 40 SER HA H 40 4.471 4.531 -0.060 1
1 371 . 8 1 1 A 40 40 SER C C 40 174.618 172.628 1.990 1
1 372 . 8 1 1 A 40 40 SER CA C 40 58.313 56.951 1.362 1
1 373 . 8 1 1 A 40 40 SER CB C 40 63.713 62.761 0.952 1
1 374 . 8 1 1 A 40 40 SER N N 40 116.652 114.893 1.759 1
1 375 . 8 1 1 A 41 41 SER H H 41 8.315 8.978 -0.663 1
1 376 . 8 1 1 A 41 41 SER HA H 41 4.505 5.049 -0.544 1
1 379 . 8 1 1 A 41 41 SER C C 41 174.491 173.905 0.586 1
1 380 . 8 1 1 A 41 41 SER CA C 41 58.298 57.682 0.616 1
1 381 . 8 1 1 A 41 41 SER CB C 41 63.977 64.227 -0.250 1
1 382 . 8 1 1 A 41 41 SER N N 41 117.808 123.362 -5.554 1
1 383 . 8 1 1 A 42 42 GLY H H 42 8.209 8.736 -0.527 1
1 384 . 8 1 1 A 42 42 GLY HA2 H 42 4.137 4.350 -0.213 1
1 385 . 8 1 1 A 42 42 GLY HA3 H 42 4.137 4.350 -0.213 1
1 386 . 8 1 1 A 42 42 GLY C C 42 171.766 174.330 -2.564 1
1 387 . 8 1 1 A 42 42 GLY CA C 42 44.693 43.880 0.813 1
1 388 . 8 1 1 A 42 42 GLY N N 42 110.577 113.727 -3.150 1
1 389 . 8 1 1 A 43 43 PRO HA H 43 4.477 4.546 -0.069 1
1 396 . 8 1 1 A 43 43 PRO C C 43 177.379 176.321 1.058 1
1 397 . 8 1 1 A 43 43 PRO CA C 43 63.211 63.843 -0.632 1
1 398 . 8 1 1 A 43 43 PRO CB C 43 32.181 31.825 0.356 1
1 401 . 8 1 1 A 44 44 SER H H 44 8.517 8.277 0.240 1
1 402 . 8 1 1 A 44 44 SER C C 44 174.661 174.147 0.514 1
1 403 . 8 1 1 A 44 44 SER CA C 44 58.543 58.032 0.511 1
1 404 . 8 1 1 A 44 44 SER CB C 44 64.118 63.113 1.005 1
1 1 . 9 1 1 A 8 8 SER HA H 8 4.438 5.135 -0.697 1
1 4 . 9 1 1 A 8 8 SER CA C 8 58.600 57.754 0.846 1
1 5 . 9 1 1 A 8 8 SER CB C 8 63.792 65.059 -1.267 1
1 6 . 9 1 1 A 9 9 GLY H H 9 8.454 8.411 0.043 1
1 7 . 9 1 1 A 9 9 GLY HA2 H 9 3.938 4.026 -0.088 1
1 8 . 9 1 1 A 9 9 GLY HA3 H 9 3.938 4.030 -0.092 1
1 9 . 9 1 1 A 9 9 GLY CA C 9 45.227 45.655 -0.428 1
1 10 . 9 1 1 A 9 9 GLY N N 9 110.842 113.160 -2.318 1
1 11 . 9 1 1 A 10 10 GLU H H 10 8.211 8.058 0.153 1
1 12 . 9 1 1 A 10 10 GLU HA H 10 4.206 4.420 -0.214 1
1 17 . 9 1 1 A 10 10 GLU CA C 10 56.709 56.224 0.485 1
1 18 . 9 1 1 A 10 10 GLU CB C 10 30.317 29.396 0.921 1
1 20 . 9 1 1 A 10 10 GLU N N 10 120.029 119.459 0.570 1
1 21 . 9 1 1 A 11 11 ARG HA H 11 4.425 4.854 -0.429 1
1 28 . 9 1 1 A 11 11 ARG CA C 11 53.417 53.090 0.327 1
1 29 . 9 1 1 A 11 11 ARG CB C 11 29.953 31.424 -1.471 1
1 32 . 9 1 1 A 11 11 ARG N N 11 117.766 119.254 -1.488 1
1 33 . 9 1 1 A 12 12 PRO HA H 12 4.203 4.381 -0.178 1
1 40 . 9 1 1 A 12 12 PRO C C 12 176.483 176.265 0.218 1
1 41 . 9 1 1 A 12 12 PRO CA C 12 63.898 64.835 -0.937 1
1 42 . 9 1 1 A 12 12 PRO CB C 12 32.127 32.417 -0.290 1
1 45 . 9 1 1 A 13 13 PHE H H 13 7.791 7.268 0.523 1
1 46 . 9 1 1 A 13 13 PHE HA H 13 4.757 5.324 -0.567 1
1 54 . 9 1 1 A 13 13 PHE C C 13 174.511 174.401 0.110 1
1 55 . 9 1 1 A 13 13 PHE CA C 13 56.893 56.217 0.676 1
1 56 . 9 1 1 A 13 13 PHE CB C 13 39.090 42.811 -3.721 1
1 62 . 9 1 1 A 13 13 PHE N N 13 118.173 118.107 0.066 1
1 63 . 9 1 1 A 14 14 LYS H H 14 8.611 8.866 -0.255 1
1 64 . 9 1 1 A 14 14 LYS HA H 14 5.071 5.038 0.033 1
1 73 . 9 1 1 A 14 14 LYS C C 14 175.322 174.161 1.161 1
1 74 . 9 1 1 A 14 14 LYS CA C 14 55.006 55.597 -0.591 1
1 75 . 9 1 1 A 14 14 LYS CB C 14 35.258 36.936 -1.678 1
1 79 . 9 1 1 A 14 14 LYS N N 14 124.455 120.118 4.337 1
1 80 . 9 1 1 A 15 15 CYS H H 15 9.115 9.223 -0.108 1
1 81 . 9 1 1 A 15 15 CYS HA H 15 4.549 5.011 -0.462 1
1 84 . 9 1 1 A 15 15 CYS C C 15 177.457 175.094 2.363 1
1 85 . 9 1 1 A 15 15 CYS CA C 15 59.450 57.757 1.693 1
1 86 . 9 1 1 A 15 15 CYS CB C 15 29.959 29.810 0.149 1
1 87 . 9 1 1 A 15 15 CYS N N 15 125.796 123.720 2.076 1
1 88 . 9 1 1 A 16 16 ASN H H 16 9.439 8.969 0.470 1
1 89 . 9 1 1 A 16 16 ASN HA H 16 4.552 4.719 -0.167 1
1 94 . 9 1 1 A 16 16 ASN C C 16 175.327 177.377 -2.050 1
1 95 . 9 1 1 A 16 16 ASN CA C 16 55.429 54.495 0.934 1
1 96 . 9 1 1 A 16 16 ASN CB C 16 38.518 38.899 -0.381 1
1 97 . 9 1 1 A 16 16 ASN N N 16 130.041 125.758 4.283 1
1 99 . 9 1 1 A 17 17 GLU H H 17 9.013 7.951 1.062 1
1 100 . 9 1 1 A 17 17 GLU HA H 17 4.244 3.942 0.302 1
1 105 . 9 1 1 A 17 17 GLU C C 17 177.345 178.338 -0.993 1
1 106 . 9 1 1 A 17 17 GLU CA C 17 58.195 58.827 -0.632 1
1 107 . 9 1 1 A 17 17 GLU CB C 17 29.394 28.434 0.960 1
1 109 . 9 1 1 A 17 17 GLU N N 17 121.584 120.983 0.601 1
1 110 . 9 1 1 A 18 18 CYS H H 18 8.410 7.526 0.884 1
1 111 . 9 1 1 A 18 18 CYS HA H 18 5.193 4.721 0.472 1
1 114 . 9 1 1 A 18 18 CYS C C 18 176.413 175.573 0.840 1
1 115 . 9 1 1 A 18 18 CYS CA C 18 58.391 59.636 -1.245 1
1 116 . 9 1 1 A 18 18 CYS CB C 18 32.346 30.012 2.334 1
1 117 . 9 1 1 A 18 18 CYS N N 18 116.182 114.843 1.339 1
1 118 . 9 1 1 A 19 19 GLY H H 19 8.045 8.022 0.023 1
1 119 . 9 1 1 A 19 19 GLY HA2 H 19 4.260 4.105 0.155 1
1 120 . 9 1 1 A 19 19 GLY HA3 H 19 3.829 4.118 -0.289 1
1 121 . 9 1 1 A 19 19 GLY C C 19 173.661 174.688 -1.027 1
1 122 . 9 1 1 A 19 19 GLY CA C 19 46.298 44.960 1.338 1
1 123 . 9 1 1 A 19 19 GLY N N 19 113.361 109.840 3.521 1
1 124 . 9 1 1 A 20 20 LYS H H 20 7.930 7.524 0.406 1
1 125 . 9 1 1 A 20 20 LYS HA H 20 3.967 4.197 -0.230 1
1 134 . 9 1 1 A 20 20 LYS C C 20 174.605 175.501 -0.896 1
1 135 . 9 1 1 A 20 20 LYS CA C 20 58.241 56.419 1.822 1
1 136 . 9 1 1 A 20 20 LYS CB C 20 33.836 33.381 0.455 1
1 140 . 9 1 1 A 20 20 LYS N N 20 123.055 122.578 0.477 1
1 141 . 9 1 1 A 21 21 GLY H H 21 8.013 8.167 -0.154 1
1 142 . 9 1 1 A 21 21 GLY HA2 H 21 4.880 4.326 0.554 1
1 143 . 9 1 1 A 21 21 GLY HA3 H 21 3.336 4.470 -1.134 1
1 144 . 9 1 1 A 21 21 GLY CA C 21 44.008 44.172 -0.164 1
1 145 . 9 1 1 A 21 21 GLY N N 21 108.426 111.457 -3.031 1
1 146 . 9 1 1 A 22 22 PHE H H 22 8.731 8.967 -0.236 1
1 147 . 9 1 1 A 22 22 PHE HA H 22 4.731 5.155 -0.424 1
1 155 . 9 1 1 A 22 22 PHE CA C 22 57.510 56.461 1.049 1
1 156 . 9 1 1 A 22 22 PHE CB C 22 44.105 43.736 0.369 1
1 162 . 9 1 1 A 22 22 PHE N N 22 117.792 120.731 -2.939 1
1 163 . 9 1 1 A 23 23 GLY HA2 H 23 4.454 3.912 0.542 1
1 164 . 9 1 1 A 23 23 GLY HA3 H 23 4.094 3.952 0.142 1
1 165 . 9 1 1 A 23 23 GLY CA C 23 45.710 46.790 -1.080 1
1 166 . 9 1 1 A 23 23 GLY N N 23 109.000 110.341 -1.341 1
1 167 . 9 1 1 A 24 24 ARG H H 24 7.197 7.623 -0.426 1
1 168 . 9 1 1 A 24 24 ARG HA H 24 4.743 4.518 0.225 1
1 175 . 9 1 1 A 24 24 ARG CA C 24 53.655 54.526 -0.871 1
1 176 . 9 1 1 A 24 24 ARG CB C 24 33.460 31.444 2.016 1
1 179 . 9 1 1 A 24 24 ARG N N 24 114.927 119.779 -4.852 1
1 180 . 9 1 1 A 25 25 ARG HA H 25 2.980 2.822 0.158 1
1 187 . 9 1 1 A 25 25 ARG CA C 25 59.693 59.390 0.303 1
1 188 . 9 1 1 A 25 25 ARG CB C 25 29.253 29.721 -0.468 1
1 191 . 9 1 1 A 26 26 SER HA H 26 4.092 4.098 -0.006 1
1 194 . 9 1 1 A 26 26 SER C C 26 177.471 177.108 0.363 1
1 195 . 9 1 1 A 26 26 SER CA C 26 60.832 61.470 -0.638 1
1 196 . 9 1 1 A 26 26 SER CB C 26 61.616 62.341 -0.725 1
1 197 . 9 1 1 A 26 26 SER N N 26 120.568 114.757 5.811 1
1 198 . 9 1 1 A 27 27 HIS H H 27 6.799 7.702 -0.903 1
1 199 . 9 1 1 A 27 27 HIS HA H 27 4.556 4.260 0.296 1
1 204 . 9 1 1 A 27 27 HIS C C 27 178.281 177.546 0.735 1
1 205 . 9 1 1 A 27 27 HIS CA C 27 56.589 59.279 -2.690 1
1 206 . 9 1 1 A 27 27 HIS CB C 27 31.722 29.736 1.986 1
1 209 . 9 1 1 A 27 27 HIS N N 27 122.717 119.059 3.658 1
1 210 . 9 1 1 A 28 28 LEU H H 28 7.026 7.699 -0.673 1
1 211 . 9 1 1 A 28 28 LEU HA H 28 3.249 2.704 0.545 1
1 221 . 9 1 1 A 28 28 LEU C C 28 177.146 177.732 -0.586 1
1 222 . 9 1 1 A 28 28 LEU CA C 28 57.742 56.996 0.746 1
1 223 . 9 1 1 A 28 28 LEU CB C 28 40.422 41.908 -1.486 1
1 227 . 9 1 1 A 28 28 LEU N N 28 121.528 120.654 0.874 1
1 228 . 9 1 1 A 29 29 ALA H H 29 8.188 8.528 -0.340 1
1 229 . 9 1 1 A 29 29 ALA HA H 29 3.979 4.007 -0.028 1
1 233 . 9 1 1 A 29 29 ALA C C 29 180.981 180.310 0.671 1
1 234 . 9 1 1 A 29 29 ALA CA C 29 55.545 55.435 0.110 1
1 235 . 9 1 1 A 29 29 ALA CB C 29 17.763 18.357 -0.594 1
1 236 . 9 1 1 A 29 29 ALA N N 29 120.526 120.188 0.338 1
1 237 . 9 1 1 A 30 30 GLY H H 30 7.724 7.939 -0.215 1
1 238 . 9 1 1 A 30 30 GLY HA2 H 30 3.886 3.554 0.332 1
1 239 . 9 1 1 A 30 30 GLY HA3 H 30 3.785 3.579 0.206 1
1 240 . 9 1 1 A 30 30 GLY C C 30 175.878 175.658 0.220 1
1 241 . 9 1 1 A 30 30 GLY CA C 30 46.909 47.080 -0.171 1
1 242 . 9 1 1 A 30 30 GLY N N 30 103.375 105.999 -2.624 1
1 243 . 9 1 1 A 31 31 HIS H H 31 7.499 8.282 -0.783 1
1 244 . 9 1 1 A 31 31 HIS HA H 31 4.195 4.080 0.115 1
1 249 . 9 1 1 A 31 31 HIS C C 31 176.680 176.477 0.203 1
1 250 . 9 1 1 A 31 31 HIS CA C 31 59.232 59.161 0.071 1
1 251 . 9 1 1 A 31 31 HIS CB C 31 28.775 29.984 -1.209 1
1 254 . 9 1 1 A 31 31 HIS N N 31 122.268 121.808 0.460 1
1 255 . 9 1 1 A 32 32 LEU H H 32 8.464 7.326 1.138 1
1 256 . 9 1 1 A 32 32 LEU HA H 32 3.900 4.250 -0.350 1
1 266 . 9 1 1 A 32 32 LEU C C 32 179.964 178.535 1.429 1
1 267 . 9 1 1 A 32 32 LEU CA C 32 58.183 56.424 1.759 1
1 268 . 9 1 1 A 32 32 LEU CB C 32 41.777 42.258 -0.481 1
1 272 . 9 1 1 A 32 32 LEU N N 32 118.124 118.680 -0.556 1
1 273 . 9 1 1 A 33 33 ARG H H 33 7.236 8.049 -0.813 1
1 274 . 9 1 1 A 33 33 ARG HA H 33 4.097 3.938 0.159 1
1 281 . 9 1 1 A 33 33 ARG C C 33 178.375 178.889 -0.514 1
1 282 . 9 1 1 A 33 33 ARG CA C 33 58.637 59.630 -0.993 1
1 283 . 9 1 1 A 33 33 ARG CB C 33 29.760 29.938 -0.178 1
1 286 . 9 1 1 A 33 33 ARG N N 33 117.491 119.369 -1.878 1
1 287 . 9 1 1 A 34 34 LEU H H 34 7.702 7.546 0.156 1
1 288 . 9 1 1 A 34 34 LEU HA H 34 4.031 4.005 0.026 1
1 298 . 9 1 1 A 34 34 LEU C C 34 178.952 179.153 -0.201 1
1 299 . 9 1 1 A 34 34 LEU CA C 34 56.816 57.753 -0.937 1
1 300 . 9 1 1 A 34 34 LEU CB C 34 40.886 40.865 0.021 1
1 304 . 9 1 1 A 34 34 LEU N N 34 118.773 118.239 0.534 1
1 305 . 9 1 1 A 35 35 HIS H H 35 7.172 7.664 -0.492 1
1 306 . 9 1 1 A 35 35 HIS HA H 35 4.721 4.385 0.336 1
1 311 . 9 1 1 A 35 35 HIS C C 35 175.730 176.322 -0.592 1
1 312 . 9 1 1 A 35 35 HIS CA C 35 55.788 59.127 -3.339 1
1 313 . 9 1 1 A 35 35 HIS CB C 35 28.787 29.786 -0.999 1
1 316 . 9 1 1 A 35 35 HIS N N 35 115.314 118.447 -3.133 1
1 317 . 9 1 1 A 36 36 SER H H 36 7.773 7.628 0.145 1
1 318 . 9 1 1 A 36 36 SER HA H 36 4.410 4.529 -0.119 1
1 321 . 9 1 1 A 36 36 SER C C 36 175.092 174.517 0.575 1
1 322 . 9 1 1 A 36 36 SER CA C 36 59.320 56.984 2.336 1
1 323 . 9 1 1 A 36 36 SER CB C 36 63.614 62.434 1.180 1
1 324 . 9 1 1 A 36 36 SER N N 36 114.851 113.257 1.594 1
1 325 . 9 1 1 A 37 37 ARG H H 37 8.264 8.274 -0.010 1
1 326 . 9 1 1 A 37 37 ARG HA H 37 4.340 4.549 -0.209 1
1 333 . 9 1 1 A 37 37 ARG C C 37 176.804 176.862 -0.058 1
1 334 . 9 1 1 A 37 37 ARG CA C 37 56.665 56.695 -0.030 1
1 335 . 9 1 1 A 37 37 ARG CB C 37 30.544 31.731 -1.187 1
1 338 . 9 1 1 A 37 37 ARG N N 37 122.680 125.087 -2.407 1
1 339 . 9 1 1 A 38 38 GLU H H 38 8.236 8.233 0.003 1
1 340 . 9 1 1 A 38 38 GLU HA H 38 4.242 4.529 -0.287 1
1 345 . 9 1 1 A 38 38 GLU C C 38 176.807 175.725 1.082 1
1 346 . 9 1 1 A 38 38 GLU CA C 38 56.861 55.493 1.368 1
1 347 . 9 1 1 A 38 38 GLU CB C 38 30.121 29.858 0.263 1
1 349 . 9 1 1 A 38 38 GLU N N 38 120.831 117.942 2.889 1
1 350 . 9 1 1 A 39 39 LYS H H 39 8.214 7.443 0.771 1
1 351 . 9 1 1 A 39 39 LYS HA H 39 4.337 4.315 0.022 1
1 360 . 9 1 1 A 39 39 LYS C C 39 176.749 176.821 -0.072 1
1 361 . 9 1 1 A 39 39 LYS CA C 39 56.498 55.960 0.538 1
1 362 . 9 1 1 A 39 39 LYS CB C 39 32.926 32.301 0.625 1
1 366 . 9 1 1 A 39 39 LYS N N 39 121.436 120.697 0.739 1
1 367 . 9 1 1 A 40 40 SER H H 40 8.282 8.878 -0.596 1
1 368 . 9 1 1 A 40 40 SER HA H 40 4.471 4.400 0.071 1
1 371 . 9 1 1 A 40 40 SER C C 40 174.618 173.748 0.870 1
1 372 . 9 1 1 A 40 40 SER CA C 40 58.313 61.332 -3.019 1
1 373 . 9 1 1 A 40 40 SER CB C 40 63.713 63.471 0.242 1
1 374 . 9 1 1 A 40 40 SER N N 40 116.652 122.292 -5.640 1
1 375 . 9 1 1 A 41 41 SER H H 41 8.315 7.943 0.372 1
1 376 . 9 1 1 A 41 41 SER HA H 41 4.505 4.868 -0.363 1
1 379 . 9 1 1 A 41 41 SER C C 41 174.491 174.590 -0.099 1
1 380 . 9 1 1 A 41 41 SER CA C 41 58.298 56.564 1.734 1
1 381 . 9 1 1 A 41 41 SER CB C 41 63.977 65.371 -1.394 1
1 382 . 9 1 1 A 41 41 SER N N 41 117.808 115.187 2.621 1
1 383 . 9 1 1 A 42 42 GLY H H 42 8.209 8.599 -0.390 1
1 384 . 9 1 1 A 42 42 GLY HA2 H 42 4.137 4.002 0.135 1
1 385 . 9 1 1 A 42 42 GLY HA3 H 42 4.137 4.003 0.134 1
1 386 . 9 1 1 A 42 42 GLY C C 42 171.766 173.114 -1.348 1
1 387 . 9 1 1 A 42 42 GLY CA C 42 44.693 44.703 -0.010 1
1 388 . 9 1 1 A 42 42 GLY N N 42 110.577 113.820 -3.243 1
1 389 . 9 1 1 A 43 43 PRO HA H 43 4.477 4.598 -0.121 1
1 396 . 9 1 1 A 43 43 PRO C C 43 177.379 175.894 1.485 1
1 397 . 9 1 1 A 43 43 PRO CA C 43 63.211 62.368 0.843 1
1 398 . 9 1 1 A 43 43 PRO CB C 43 32.181 33.065 -0.884 1
1 401 . 9 1 1 A 44 44 SER H H 44 8.517 8.504 0.013 1
1 402 . 9 1 1 A 44 44 SER C C 44 174.661 174.140 0.521 1
1 403 . 9 1 1 A 44 44 SER CA C 44 58.543 57.256 1.287 1
1 404 . 9 1 1 A 44 44 SER CB C 44 64.118 63.891 0.227 1
1 1 . 10 1 1 A 8 8 SER HA H 8 4.438 4.930 -0.492 1
1 4 . 10 1 1 A 8 8 SER CA C 8 58.600 56.734 1.866 1
1 5 . 10 1 1 A 8 8 SER CB C 8 63.792 64.188 -0.396 1
1 6 . 10 1 1 A 9 9 GLY H H 9 8.454 8.419 0.035 1
1 7 . 10 1 1 A 9 9 GLY HA2 H 9 3.938 4.192 -0.254 1
1 8 . 10 1 1 A 9 9 GLY HA3 H 9 3.938 4.196 -0.258 1
1 9 . 10 1 1 A 9 9 GLY CA C 9 45.227 45.470 -0.243 1
1 10 . 10 1 1 A 9 9 GLY N N 9 110.842 114.564 -3.722 1
1 11 . 10 1 1 A 10 10 GLU H H 10 8.211 8.613 -0.402 1
1 12 . 10 1 1 A 10 10 GLU HA H 10 4.206 4.091 0.115 1
1 17 . 10 1 1 A 10 10 GLU CA C 10 56.709 58.984 -2.275 1
1 18 . 10 1 1 A 10 10 GLU CB C 10 30.317 29.945 0.372 1
1 20 . 10 1 1 A 10 10 GLU N N 10 120.029 118.109 1.920 1
1 21 . 10 1 1 A 11 11 ARG HA H 11 4.425 4.458 -0.033 1
1 28 . 10 1 1 A 11 11 ARG CA C 11 53.417 54.950 -1.533 1
1 29 . 10 1 1 A 11 11 ARG CB C 11 29.953 30.043 -0.090 1
1 32 . 10 1 1 A 11 11 ARG N N 11 117.766 119.312 -1.546 1
1 33 . 10 1 1 A 12 12 PRO HA H 12 4.203 4.339 -0.136 1
1 40 . 10 1 1 A 12 12 PRO C C 12 176.483 176.131 0.352 1
1 41 . 10 1 1 A 12 12 PRO CA C 12 63.898 64.661 -0.763 1
1 42 . 10 1 1 A 12 12 PRO CB C 12 32.127 32.142 -0.015 1
1 45 . 10 1 1 A 13 13 PHE H H 13 7.791 7.627 0.164 1
1 46 . 10 1 1 A 13 13 PHE HA H 13 4.757 5.246 -0.489 1
1 54 . 10 1 1 A 13 13 PHE C C 13 174.511 174.331 0.180 1
1 55 . 10 1 1 A 13 13 PHE CA C 13 56.893 56.391 0.502 1
1 56 . 10 1 1 A 13 13 PHE CB C 13 39.090 43.479 -4.389 1
1 62 . 10 1 1 A 13 13 PHE N N 13 118.173 117.994 0.179 1
1 63 . 10 1 1 A 14 14 LYS H H 14 8.611 8.772 -0.161 1
1 64 . 10 1 1 A 14 14 LYS HA H 14 5.071 4.780 0.291 1
1 73 . 10 1 1 A 14 14 LYS C C 14 175.322 174.354 0.968 1
1 74 . 10 1 1 A 14 14 LYS CA C 14 55.006 55.795 -0.789 1
1 75 . 10 1 1 A 14 14 LYS CB C 14 35.258 37.000 -1.742 1
1 79 . 10 1 1 A 14 14 LYS N N 14 124.455 120.056 4.399 1
1 80 . 10 1 1 A 15 15 CYS H H 15 9.115 8.708 0.407 1
1 81 . 10 1 1 A 15 15 CYS HA H 15 4.549 4.847 -0.298 1
1 84 . 10 1 1 A 15 15 CYS C C 15 177.457 176.088 1.369 1
1 85 . 10 1 1 A 15 15 CYS CA C 15 59.450 57.928 1.522 1
1 86 . 10 1 1 A 15 15 CYS CB C 15 29.959 29.935 0.024 1
1 87 . 10 1 1 A 15 15 CYS N N 15 125.796 124.198 1.598 1
1 88 . 10 1 1 A 16 16 ASN H H 16 9.439 9.378 0.061 1
1 89 . 10 1 1 A 16 16 ASN HA H 16 4.552 5.080 -0.528 1
1 94 . 10 1 1 A 16 16 ASN C C 16 175.327 175.706 -0.379 1
1 95 . 10 1 1 A 16 16 ASN CA C 16 55.429 53.270 2.159 1
1 96 . 10 1 1 A 16 16 ASN CB C 16 38.518 38.772 -0.254 1
1 97 . 10 1 1 A 16 16 ASN N N 16 130.041 127.052 2.989 1
1 99 . 10 1 1 A 17 17 GLU H H 17 9.013 7.533 1.480 1
1 100 . 10 1 1 A 17 17 GLU HA H 17 4.244 4.446 -0.202 1
1 105 . 10 1 1 A 17 17 GLU C C 17 177.345 177.862 -0.517 1
1 106 . 10 1 1 A 17 17 GLU CA C 17 58.195 57.394 0.801 1
1 107 . 10 1 1 A 17 17 GLU CB C 17 29.394 31.081 -1.687 1
1 109 . 10 1 1 A 17 17 GLU N N 17 121.584 118.271 3.313 1
1 110 . 10 1 1 A 18 18 CYS H H 18 8.410 7.638 0.772 1
1 111 . 10 1 1 A 18 18 CYS HA H 18 5.193 4.703 0.490 1
1 114 . 10 1 1 A 18 18 CYS C C 18 176.413 175.319 1.094 1
1 115 . 10 1 1 A 18 18 CYS CA C 18 58.391 59.758 -1.367 1
1 116 . 10 1 1 A 18 18 CYS CB C 18 32.346 29.974 2.372 1
1 117 . 10 1 1 A 18 18 CYS N N 18 116.182 114.579 1.603 1
1 118 . 10 1 1 A 19 19 GLY H H 19 8.045 8.014 0.031 1
1 119 . 10 1 1 A 19 19 GLY HA2 H 19 4.260 4.093 0.167 1
1 120 . 10 1 1 A 19 19 GLY HA3 H 19 3.829 4.100 -0.271 1
1 121 . 10 1 1 A 19 19 GLY C C 19 173.661 174.216 -0.555 1
1 122 . 10 1 1 A 19 19 GLY CA C 19 46.298 45.128 1.170 1
1 123 . 10 1 1 A 19 19 GLY N N 19 113.361 109.915 3.446 1
1 124 . 10 1 1 A 20 20 LYS H H 20 7.930 7.906 0.024 1
1 125 . 10 1 1 A 20 20 LYS HA H 20 3.967 4.647 -0.680 1
1 134 . 10 1 1 A 20 20 LYS C C 20 174.605 175.543 -0.938 1
1 135 . 10 1 1 A 20 20 LYS CA C 20 58.241 54.805 3.436 1
1 136 . 10 1 1 A 20 20 LYS CB C 20 33.836 33.799 0.037 1
1 140 . 10 1 1 A 20 20 LYS N N 20 123.055 121.291 1.764 1
1 141 . 10 1 1 A 21 21 GLY H H 21 8.013 8.770 -0.757 1
1 142 . 10 1 1 A 21 21 GLY HA2 H 21 4.880 4.240 0.640 1
1 143 . 10 1 1 A 21 21 GLY HA3 H 21 3.336 4.376 -1.040 1
1 144 . 10 1 1 A 21 21 GLY CA C 21 44.008 44.065 -0.057 1
1 145 . 10 1 1 A 21 21 GLY N N 21 108.426 112.757 -4.331 1
1 146 . 10 1 1 A 22 22 PHE H H 22 8.731 9.115 -0.384 1
1 147 . 10 1 1 A 22 22 PHE HA H 22 4.731 5.076 -0.345 1
1 155 . 10 1 1 A 22 22 PHE CA C 22 57.510 56.548 0.962 1
1 156 . 10 1 1 A 22 22 PHE CB C 22 44.105 43.184 0.921 1
1 162 . 10 1 1 A 22 22 PHE N N 22 117.792 122.177 -4.385 1
1 163 . 10 1 1 A 23 23 GLY HA2 H 23 4.454 3.947 0.507 1
1 164 . 10 1 1 A 23 23 GLY HA3 H 23 4.094 3.991 0.103 1
1 165 . 10 1 1 A 23 23 GLY CA C 23 45.710 46.769 -1.059 1
1 166 . 10 1 1 A 23 23 GLY N N 23 109.000 110.562 -1.562 1
1 167 . 10 1 1 A 24 24 ARG H H 24 7.197 7.643 -0.446 1
1 168 . 10 1 1 A 24 24 ARG HA H 24 4.743 4.572 0.171 1
1 175 . 10 1 1 A 24 24 ARG CA C 24 53.655 54.591 -0.936 1
1 176 . 10 1 1 A 24 24 ARG CB C 24 33.460 31.522 1.938 1
1 179 . 10 1 1 A 24 24 ARG N N 24 114.927 120.052 -5.125 1
1 180 . 10 1 1 A 25 25 ARG HA H 25 2.980 2.868 0.112 1
1 187 . 10 1 1 A 25 25 ARG CA C 25 59.693 59.276 0.417 1
1 188 . 10 1 1 A 25 25 ARG CB C 25 29.253 29.845 -0.592 1
1 191 . 10 1 1 A 26 26 SER HA H 26 4.092 4.126 -0.034 1
1 194 . 10 1 1 A 26 26 SER C C 26 177.471 177.283 0.188 1
1 195 . 10 1 1 A 26 26 SER CA C 26 60.832 61.162 -0.330 1
1 196 . 10 1 1 A 26 26 SER CB C 26 61.616 62.652 -1.036 1
1 197 . 10 1 1 A 26 26 SER N N 26 120.568 114.713 5.855 1
1 198 . 10 1 1 A 27 27 HIS H H 27 6.799 7.736 -0.937 1
1 199 . 10 1 1 A 27 27 HIS HA H 27 4.556 4.235 0.321 1
1 204 . 10 1 1 A 27 27 HIS C C 27 178.281 177.706 0.575 1
1 205 . 10 1 1 A 27 27 HIS CA C 27 56.589 59.245 -2.656 1
1 206 . 10 1 1 A 27 27 HIS CB C 27 31.722 29.876 1.846 1
1 209 . 10 1 1 A 27 27 HIS N N 27 122.717 118.987 3.730 1
1 210 . 10 1 1 A 28 28 LEU H H 28 7.026 7.694 -0.668 1
1 211 . 10 1 1 A 28 28 LEU HA H 28 3.249 2.591 0.658 1
1 221 . 10 1 1 A 28 28 LEU C C 28 177.146 177.906 -0.760 1
1 222 . 10 1 1 A 28 28 LEU CA C 28 57.742 56.947 0.795 1
1 223 . 10 1 1 A 28 28 LEU CB C 28 40.422 41.620 -1.198 1
1 227 . 10 1 1 A 28 28 LEU N N 28 121.528 120.494 1.034 1
1 228 . 10 1 1 A 29 29 ALA H H 29 8.188 8.242 -0.054 1
1 229 . 10 1 1 A 29 29 ALA HA H 29 3.979 3.980 -0.001 1
1 233 . 10 1 1 A 29 29 ALA C C 29 180.981 180.292 0.689 1
1 234 . 10 1 1 A 29 29 ALA CA C 29 55.545 55.452 0.093 1
1 235 . 10 1 1 A 29 29 ALA CB C 29 17.763 18.196 -0.433 1
1 236 . 10 1 1 A 29 29 ALA N N 29 120.526 120.716 -0.190 1
1 237 . 10 1 1 A 30 30 GLY H H 30 7.724 7.874 -0.150 1
1 238 . 10 1 1 A 30 30 GLY HA2 H 30 3.886 3.570 0.316 1
1 239 . 10 1 1 A 30 30 GLY HA3 H 30 3.785 3.593 0.192 1
1 240 . 10 1 1 A 30 30 GLY C C 30 175.878 175.688 0.190 1
1 241 . 10 1 1 A 30 30 GLY CA C 30 46.909 47.062 -0.153 1
1 242 . 10 1 1 A 30 30 GLY N N 30 103.375 105.796 -2.421 1
1 243 . 10 1 1 A 31 31 HIS H H 31 7.499 8.293 -0.794 1
1 244 . 10 1 1 A 31 31 HIS HA H 31 4.195 4.094 0.101 1
1 249 . 10 1 1 A 31 31 HIS C C 31 176.680 176.663 0.017 1
1 250 . 10 1 1 A 31 31 HIS CA C 31 59.232 59.060 0.172 1
1 251 . 10 1 1 A 31 31 HIS CB C 31 28.775 29.916 -1.141 1
1 254 . 10 1 1 A 31 31 HIS N N 31 122.268 121.775 0.493 1
1 255 . 10 1 1 A 32 32 LEU H H 32 8.464 7.249 1.215 1
1 256 . 10 1 1 A 32 32 LEU HA H 32 3.900 4.277 -0.377 1
1 266 . 10 1 1 A 32 32 LEU C C 32 179.964 178.677 1.287 1
1 267 . 10 1 1 A 32 32 LEU CA C 32 58.183 56.766 1.417 1
1 268 . 10 1 1 A 32 32 LEU CB C 32 41.777 42.102 -0.325 1
1 272 . 10 1 1 A 32 32 LEU N N 32 118.124 118.732 -0.608 1
1 273 . 10 1 1 A 33 33 ARG H H 33 7.236 7.770 -0.534 1
1 274 . 10 1 1 A 33 33 ARG HA H 33 4.097 3.950 0.147 1
1 281 . 10 1 1 A 33 33 ARG C C 33 178.375 178.659 -0.284 1
1 282 . 10 1 1 A 33 33 ARG CA C 33 58.637 59.995 -1.358 1
1 283 . 10 1 1 A 33 33 ARG CB C 33 29.760 29.919 -0.159 1
1 286 . 10 1 1 A 33 33 ARG N N 33 117.491 119.287 -1.796 1
1 287 . 10 1 1 A 34 34 LEU H H 34 7.702 7.670 0.032 1
1 288 . 10 1 1 A 34 34 LEU HA H 34 4.031 3.951 0.080 1
1 298 . 10 1 1 A 34 34 LEU C C 34 178.952 179.047 -0.095 1
1 299 . 10 1 1 A 34 34 LEU CA C 34 56.816 57.865 -1.049 1
1 300 . 10 1 1 A 34 34 LEU CB C 34 40.886 40.887 -0.001 1
1 304 . 10 1 1 A 34 34 LEU N N 34 118.773 118.378 0.395 1
1 305 . 10 1 1 A 35 35 HIS H H 35 7.172 8.120 -0.948 1
1 306 . 10 1 1 A 35 35 HIS HA H 35 4.721 4.350 0.371 1
1 311 . 10 1 1 A 35 35 HIS C C 35 175.730 178.455 -2.725 1
1 312 . 10 1 1 A 35 35 HIS CA C 35 55.788 59.359 -3.571 1
1 313 . 10 1 1 A 35 35 HIS CB C 35 28.787 29.684 -0.897 1
1 316 . 10 1 1 A 35 35 HIS N N 35 115.314 119.055 -3.741 1
1 317 . 10 1 1 A 36 36 SER H H 36 7.773 8.106 -0.333 1
1 318 . 10 1 1 A 36 36 SER HA H 36 4.410 4.175 0.235 1
1 321 . 10 1 1 A 36 36 SER C C 36 175.092 176.914 -1.822 1
1 322 . 10 1 1 A 36 36 SER CA C 36 59.320 61.181 -1.861 1
1 323 . 10 1 1 A 36 36 SER CB C 36 63.614 62.525 1.089 1
1 324 . 10 1 1 A 36 36 SER N N 36 114.851 115.001 -0.150 1
1 325 . 10 1 1 A 37 37 ARG H H 37 8.264 8.250 0.014 1
1 326 . 10 1 1 A 37 37 ARG HA H 37 4.340 4.099 0.241 1
1 333 . 10 1 1 A 37 37 ARG C C 37 176.804 176.467 0.337 1
1 334 . 10 1 1 A 37 37 ARG CA C 37 56.665 58.771 -2.106 1
1 335 . 10 1 1 A 37 37 ARG CB C 37 30.544 29.882 0.662 1
1 338 . 10 1 1 A 37 37 ARG N N 37 122.680 120.467 2.213 1
1 339 . 10 1 1 A 38 38 GLU H H 38 8.236 7.755 0.481 1
1 340 . 10 1 1 A 38 38 GLU HA H 38 4.242 4.470 -0.228 1
1 345 . 10 1 1 A 38 38 GLU C C 38 176.807 175.252 1.555 1
1 346 . 10 1 1 A 38 38 GLU CA C 38 56.861 55.111 1.750 1
1 347 . 10 1 1 A 38 38 GLU CB C 38 30.121 29.150 0.971 1
1 349 . 10 1 1 A 38 38 GLU N N 38 120.831 119.506 1.325 1
1 350 . 10 1 1 A 39 39 LYS H H 39 8.214 8.706 -0.492 1
1 351 . 10 1 1 A 39 39 LYS HA H 39 4.337 4.506 -0.169 1
1 360 . 10 1 1 A 39 39 LYS C C 39 176.749 175.377 1.372 1
1 361 . 10 1 1 A 39 39 LYS CA C 39 56.498 56.115 0.383 1
1 362 . 10 1 1 A 39 39 LYS CB C 39 32.926 35.417 -2.491 1
1 366 . 10 1 1 A 39 39 LYS N N 39 121.436 126.364 -4.928 1
1 367 . 10 1 1 A 40 40 SER H H 40 8.282 8.737 -0.455 1
1 368 . 10 1 1 A 40 40 SER HA H 40 4.471 4.064 0.407 1
1 371 . 10 1 1 A 40 40 SER C C 40 174.618 173.733 0.885 1
1 372 . 10 1 1 A 40 40 SER CA C 40 58.313 59.258 -0.945 1
1 373 . 10 1 1 A 40 40 SER CB C 40 63.713 61.619 2.094 1
1 374 . 10 1 1 A 40 40 SER N N 40 116.652 121.168 -4.516 1
1 375 . 10 1 1 A 41 41 SER H H 41 8.315 7.832 0.483 1
1 376 . 10 1 1 A 41 41 SER HA H 41 4.505 4.801 -0.296 1
1 379 . 10 1 1 A 41 41 SER C C 41 174.491 174.558 -0.067 1
1 380 . 10 1 1 A 41 41 SER CA C 41 58.298 59.607 -1.309 1
1 381 . 10 1 1 A 41 41 SER CB C 41 63.977 65.522 -1.545 1
1 382 . 10 1 1 A 41 41 SER N N 41 117.808 113.853 3.955 1
1 383 . 10 1 1 A 42 42 GLY H H 42 8.209 7.748 0.461 1
1 384 . 10 1 1 A 42 42 GLY HA2 H 42 4.137 4.363 -0.226 1
1 385 . 10 1 1 A 42 42 GLY HA3 H 42 4.137 4.363 -0.226 1
1 386 . 10 1 1 A 42 42 GLY C C 42 171.766 171.655 0.111 1
1 387 . 10 1 1 A 42 42 GLY CA C 42 44.693 45.878 -1.185 1
1 388 . 10 1 1 A 42 42 GLY N N 42 110.577 106.485 4.092 1
1 389 . 10 1 1 A 43 43 PRO HA H 43 4.477 4.647 -0.170 1
1 396 . 10 1 1 A 43 43 PRO C C 43 177.379 176.783 0.596 1
1 397 . 10 1 1 A 43 43 PRO CA C 43 63.211 62.774 0.437 1
1 398 . 10 1 1 A 43 43 PRO CB C 43 32.181 33.407 -1.226 1
1 401 . 10 1 1 A 44 44 SER H H 44 8.517 8.728 -0.211 1
1 402 . 10 1 1 A 44 44 SER C C 44 174.661 172.610 2.051 1
1 403 . 10 1 1 A 44 44 SER CA C 44 58.543 57.732 0.811 1
1 404 . 10 1 1 A 44 44 SER CB C 44 64.118 63.350 0.768 1
1 1 . 11 1 1 A 8 8 SER HA H 8 4.438 4.766 -0.328 1
1 4 . 11 1 1 A 8 8 SER CA C 8 58.600 57.028 1.572 1
1 5 . 11 1 1 A 8 8 SER CB C 8 63.792 63.795 -0.003 1
1 6 . 11 1 1 A 9 9 GLY H H 9 8.454 7.477 0.977 1
1 7 . 11 1 1 A 9 9 GLY HA2 H 9 3.938 4.162 -0.224 1
1 8 . 11 1 1 A 9 9 GLY HA3 H 9 3.938 4.162 -0.224 1
1 9 . 11 1 1 A 9 9 GLY CA C 9 45.227 45.062 0.165 1
1 10 . 11 1 1 A 9 9 GLY N N 9 110.842 109.318 1.524 1
1 11 . 11 1 1 A 10 10 GLU H H 10 8.211 8.479 -0.268 1
1 12 . 11 1 1 A 10 10 GLU HA H 10 4.206 5.219 -1.013 1
1 17 . 11 1 1 A 10 10 GLU CA C 10 56.709 54.691 2.018 1
1 18 . 11 1 1 A 10 10 GLU CB C 10 30.317 34.012 -3.695 1
1 20 . 11 1 1 A 10 10 GLU N N 10 120.029 121.190 -1.161 1
1 21 . 11 1 1 A 11 11 ARG HA H 11 4.425 4.815 -0.390 1
1 28 . 11 1 1 A 11 11 ARG CA C 11 53.417 53.079 0.338 1
1 29 . 11 1 1 A 11 11 ARG CB C 11 29.953 31.437 -1.484 1
1 32 . 11 1 1 A 11 11 ARG N N 11 117.766 122.551 -4.785 1
1 33 . 11 1 1 A 12 12 PRO HA H 12 4.203 4.443 -0.240 1
1 40 . 11 1 1 A 12 12 PRO C C 12 176.483 176.392 0.091 1
1 41 . 11 1 1 A 12 12 PRO CA C 12 63.898 65.081 -1.183 1
1 42 . 11 1 1 A 12 12 PRO CB C 12 32.127 32.329 -0.202 1
1 45 . 11 1 1 A 13 13 PHE H H 13 7.791 7.915 -0.124 1
1 46 . 11 1 1 A 13 13 PHE HA H 13 4.757 5.232 -0.475 1
1 54 . 11 1 1 A 13 13 PHE C C 13 174.511 174.551 -0.040 1
1 55 . 11 1 1 A 13 13 PHE CA C 13 56.893 56.731 0.162 1
1 56 . 11 1 1 A 13 13 PHE CB C 13 39.090 41.928 -2.838 1
1 62 . 11 1 1 A 13 13 PHE N N 13 118.173 117.975 0.198 1
1 63 . 11 1 1 A 14 14 LYS H H 14 8.611 8.734 -0.123 1
1 64 . 11 1 1 A 14 14 LYS HA H 14 5.071 4.943 0.128 1
1 73 . 11 1 1 A 14 14 LYS C C 14 175.322 174.177 1.145 1
1 74 . 11 1 1 A 14 14 LYS CA C 14 55.006 55.770 -0.764 1
1 75 . 11 1 1 A 14 14 LYS CB C 14 35.258 36.836 -1.578 1
1 79 . 11 1 1 A 14 14 LYS N N 14 124.455 120.915 3.540 1
1 80 . 11 1 1 A 15 15 CYS H H 15 9.115 9.270 -0.155 1
1 81 . 11 1 1 A 15 15 CYS HA H 15 4.549 4.886 -0.337 1
1 84 . 11 1 1 A 15 15 CYS C C 15 177.457 175.175 2.282 1
1 85 . 11 1 1 A 15 15 CYS CA C 15 59.450 57.894 1.556 1
1 86 . 11 1 1 A 15 15 CYS CB C 15 29.959 29.666 0.293 1
1 87 . 11 1 1 A 15 15 CYS N N 15 125.796 124.197 1.599 1
1 88 . 11 1 1 A 16 16 ASN H H 16 9.439 9.085 0.354 1
1 89 . 11 1 1 A 16 16 ASN HA H 16 4.552 4.674 -0.122 1
1 94 . 11 1 1 A 16 16 ASN C C 16 175.327 177.414 -2.087 1
1 95 . 11 1 1 A 16 16 ASN CA C 16 55.429 54.894 0.535 1
1 96 . 11 1 1 A 16 16 ASN CB C 16 38.518 38.745 -0.227 1
1 97 . 11 1 1 A 16 16 ASN N N 16 130.041 126.198 3.843 1
1 99 . 11 1 1 A 17 17 GLU H H 17 9.013 7.911 1.102 1
1 100 . 11 1 1 A 17 17 GLU HA H 17 4.244 3.972 0.272 1
1 105 . 11 1 1 A 17 17 GLU C C 17 177.345 178.373 -1.028 1
1 106 . 11 1 1 A 17 17 GLU CA C 17 58.195 58.789 -0.594 1
1 107 . 11 1 1 A 17 17 GLU CB C 17 29.394 28.588 0.806 1
1 109 . 11 1 1 A 17 17 GLU N N 17 121.584 120.478 1.106 1
1 110 . 11 1 1 A 18 18 CYS H H 18 8.410 7.530 0.880 1
1 111 . 11 1 1 A 18 18 CYS HA H 18 5.193 4.737 0.456 1
1 114 . 11 1 1 A 18 18 CYS C C 18 176.413 175.568 0.845 1
1 115 . 11 1 1 A 18 18 CYS CA C 18 58.391 59.469 -1.078 1
1 116 . 11 1 1 A 18 18 CYS CB C 18 32.346 29.992 2.354 1
1 117 . 11 1 1 A 18 18 CYS N N 18 116.182 114.749 1.433 1
1 118 . 11 1 1 A 19 19 GLY H H 19 8.045 8.008 0.037 1
1 119 . 11 1 1 A 19 19 GLY HA2 H 19 4.260 4.097 0.163 1
1 120 . 11 1 1 A 19 19 GLY HA3 H 19 3.829 4.105 -0.276 1
1 121 . 11 1 1 A 19 19 GLY C C 19 173.661 174.686 -1.025 1
1 122 . 11 1 1 A 19 19 GLY CA C 19 46.298 45.037 1.261 1
1 123 . 11 1 1 A 19 19 GLY N N 19 113.361 109.827 3.534 1
1 124 . 11 1 1 A 20 20 LYS H H 20 7.930 7.933 -0.003 1
1 125 . 11 1 1 A 20 20 LYS HA H 20 3.967 4.206 -0.239 1
1 134 . 11 1 1 A 20 20 LYS C C 20 174.605 175.624 -1.019 1
1 135 . 11 1 1 A 20 20 LYS CA C 20 58.241 56.216 2.025 1
1 136 . 11 1 1 A 20 20 LYS CB C 20 33.836 33.369 0.467 1
1 140 . 11 1 1 A 20 20 LYS N N 20 123.055 122.196 0.859 1
1 141 . 11 1 1 A 21 21 GLY H H 21 8.013 8.098 -0.085 1
1 142 . 11 1 1 A 21 21 GLY HA2 H 21 4.880 4.299 0.581 1
1 143 . 11 1 1 A 21 21 GLY HA3 H 21 3.336 4.421 -1.085 1
1 144 . 11 1 1 A 21 21 GLY CA C 21 44.008 44.300 -0.292 1
1 145 . 11 1 1 A 21 21 GLY N N 21 108.426 110.457 -2.031 1
1 146 . 11 1 1 A 22 22 PHE H H 22 8.731 9.040 -0.309 1
1 147 . 11 1 1 A 22 22 PHE HA H 22 4.731 5.150 -0.419 1
1 155 . 11 1 1 A 22 22 PHE CA C 22 57.510 56.563 0.947 1
1 156 . 11 1 1 A 22 22 PHE CB C 22 44.105 43.759 0.346 1
1 162 . 11 1 1 A 22 22 PHE N N 22 117.792 121.357 -3.565 1
1 163 . 11 1 1 A 23 23 GLY HA2 H 23 4.454 3.974 0.480 1
1 164 . 11 1 1 A 23 23 GLY HA3 H 23 4.094 3.984 0.110 1
1 165 . 11 1 1 A 23 23 GLY CA C 23 45.710 46.809 -1.099 1
1 166 . 11 1 1 A 23 23 GLY N N 23 109.000 110.213 -1.213 1
1 167 . 11 1 1 A 24 24 ARG H H 24 7.197 7.440 -0.243 1
1 168 . 11 1 1 A 24 24 ARG HA H 24 4.743 4.550 0.193 1
1 175 . 11 1 1 A 24 24 ARG CA C 24 53.655 54.375 -0.720 1
1 176 . 11 1 1 A 24 24 ARG CB C 24 33.460 31.468 1.992 1
1 179 . 11 1 1 A 24 24 ARG N N 24 114.927 119.585 -4.658 1
1 180 . 11 1 1 A 25 25 ARG HA H 25 2.980 2.643 0.337 1
1 187 . 11 1 1 A 25 25 ARG CA C 25 59.693 58.833 0.860 1
1 188 . 11 1 1 A 25 25 ARG CB C 25 29.253 30.003 -0.750 1
1 191 . 11 1 1 A 26 26 SER HA H 26 4.092 4.066 0.026 1
1 194 . 11 1 1 A 26 26 SER C C 26 177.471 177.055 0.416 1
1 195 . 11 1 1 A 26 26 SER CA C 26 60.832 60.900 -0.068 1
1 196 . 11 1 1 A 26 26 SER CB C 26 61.616 62.940 -1.324 1
1 197 . 11 1 1 A 26 26 SER N N 26 120.568 113.377 7.191 1
1 198 . 11 1 1 A 27 27 HIS H H 27 6.799 7.531 -0.732 1
1 199 . 11 1 1 A 27 27 HIS HA H 27 4.556 4.205 0.351 1
1 204 . 11 1 1 A 27 27 HIS C C 27 178.281 177.575 0.706 1
1 205 . 11 1 1 A 27 27 HIS CA C 27 56.589 58.977 -2.388 1
1 206 . 11 1 1 A 27 27 HIS CB C 27 31.722 29.641 2.081 1
1 209 . 11 1 1 A 27 27 HIS N N 27 122.717 118.904 3.813 1
1 210 . 11 1 1 A 28 28 LEU H H 28 7.026 7.972 -0.946 1
1 211 . 11 1 1 A 28 28 LEU HA H 28 3.249 2.830 0.419 1
1 221 . 11 1 1 A 28 28 LEU C C 28 177.146 177.724 -0.578 1
1 222 . 11 1 1 A 28 28 LEU CA C 28 57.742 56.842 0.900 1
1 223 . 11 1 1 A 28 28 LEU CB C 28 40.422 42.041 -1.619 1
1 227 . 11 1 1 A 28 28 LEU N N 28 121.528 120.567 0.961 1
1 228 . 11 1 1 A 29 29 ALA H H 29 8.188 8.271 -0.083 1
1 229 . 11 1 1 A 29 29 ALA HA H 29 3.979 4.040 -0.061 1
1 233 . 11 1 1 A 29 29 ALA C C 29 180.981 180.323 0.658 1
1 234 . 11 1 1 A 29 29 ALA CA C 29 55.545 55.456 0.089 1
1 235 . 11 1 1 A 29 29 ALA CB C 29 17.763 18.396 -0.633 1
1 236 . 11 1 1 A 29 29 ALA N N 29 120.526 120.589 -0.063 1
1 237 . 11 1 1 A 30 30 GLY H H 30 7.724 7.920 -0.196 1
1 238 . 11 1 1 A 30 30 GLY HA2 H 30 3.886 3.572 0.314 1
1 239 . 11 1 1 A 30 30 GLY HA3 H 30 3.785 3.593 0.192 1
1 240 . 11 1 1 A 30 30 GLY C C 30 175.878 175.645 0.233 1
1 241 . 11 1 1 A 30 30 GLY CA C 30 46.909 47.108 -0.199 1
1 242 . 11 1 1 A 30 30 GLY N N 30 103.375 105.977 -2.602 1
1 243 . 11 1 1 A 31 31 HIS H H 31 7.499 8.333 -0.834 1
1 244 . 11 1 1 A 31 31 HIS HA H 31 4.195 4.124 0.071 1
1 249 . 11 1 1 A 31 31 HIS C C 31 176.680 176.477 0.203 1
1 250 . 11 1 1 A 31 31 HIS CA C 31 59.232 59.215 0.017 1
1 251 . 11 1 1 A 31 31 HIS CB C 31 28.775 30.174 -1.399 1
1 254 . 11 1 1 A 31 31 HIS N N 31 122.268 121.849 0.419 1
1 255 . 11 1 1 A 32 32 LEU H H 32 8.464 7.356 1.108 1
1 256 . 11 1 1 A 32 32 LEU HA H 32 3.900 4.303 -0.403 1
1 266 . 11 1 1 A 32 32 LEU C C 32 179.964 178.606 1.358 1
1 267 . 11 1 1 A 32 32 LEU CA C 32 58.183 56.520 1.663 1
1 268 . 11 1 1 A 32 32 LEU CB C 32 41.777 42.240 -0.463 1
1 272 . 11 1 1 A 32 32 LEU N N 32 118.124 118.827 -0.703 1
1 273 . 11 1 1 A 33 33 ARG H H 33 7.236 8.059 -0.823 1
1 274 . 11 1 1 A 33 33 ARG HA H 33 4.097 4.006 0.091 1
1 281 . 11 1 1 A 33 33 ARG C C 33 178.375 178.838 -0.463 1
1 282 . 11 1 1 A 33 33 ARG CA C 33 58.637 59.628 -0.991 1
1 283 . 11 1 1 A 33 33 ARG CB C 33 29.760 30.087 -0.327 1
1 286 . 11 1 1 A 33 33 ARG N N 33 117.491 119.370 -1.879 1
1 287 . 11 1 1 A 34 34 LEU H H 34 7.702 7.532 0.170 1
1 288 . 11 1 1 A 34 34 LEU HA H 34 4.031 4.027 0.004 1
1 298 . 11 1 1 A 34 34 LEU C C 34 178.952 178.098 0.854 1
1 299 . 11 1 1 A 34 34 LEU CA C 34 56.816 57.190 -0.374 1
1 300 . 11 1 1 A 34 34 LEU CB C 34 40.886 41.053 -0.167 1
1 304 . 11 1 1 A 34 34 LEU N N 34 118.773 117.670 1.103 1
1 305 . 11 1 1 A 35 35 HIS H H 35 7.172 8.001 -0.829 1
1 306 . 11 1 1 A 35 35 HIS HA H 35 4.721 4.266 0.455 1
1 311 . 11 1 1 A 35 35 HIS C C 35 175.730 177.005 -1.275 1
1 312 . 11 1 1 A 35 35 HIS CA C 35 55.788 59.895 -4.107 1
1 313 . 11 1 1 A 35 35 HIS CB C 35 28.787 29.372 -0.585 1
1 316 . 11 1 1 A 35 35 HIS N N 35 115.314 118.344 -3.030 1
1 317 . 11 1 1 A 36 36 SER H H 36 7.773 7.707 0.066 1
1 318 . 11 1 1 A 36 36 SER HA H 36 4.410 4.243 0.167 1
1 321 . 11 1 1 A 36 36 SER C C 36 175.092 175.928 -0.836 1
1 322 . 11 1 1 A 36 36 SER CA C 36 59.320 61.695 -2.375 1
1 323 . 11 1 1 A 36 36 SER CB C 36 63.614 63.906 -0.292 1
1 324 . 11 1 1 A 36 36 SER N N 36 114.851 116.302 -1.451 1
1 325 . 11 1 1 A 37 37 ARG H H 37 8.264 7.746 0.518 1
1 326 . 11 1 1 A 37 37 ARG HA H 37 4.340 4.160 0.180 1
1 333 . 11 1 1 A 37 37 ARG C C 37 176.804 176.241 0.563 1
1 334 . 11 1 1 A 37 37 ARG CA C 37 56.665 58.650 -1.985 1
1 335 . 11 1 1 A 37 37 ARG CB C 37 30.544 29.694 0.850 1
1 338 . 11 1 1 A 37 37 ARG N N 37 122.680 120.445 2.235 1
1 339 . 11 1 1 A 38 38 GLU H H 38 8.236 7.823 0.413 1
1 340 . 11 1 1 A 38 38 GLU HA H 38 4.242 4.792 -0.550 1
1 345 . 11 1 1 A 38 38 GLU C C 38 176.807 174.566 2.241 1
1 346 . 11 1 1 A 38 38 GLU CA C 38 56.861 55.606 1.255 1
1 347 . 11 1 1 A 38 38 GLU CB C 38 30.121 31.632 -1.511 1
1 349 . 11 1 1 A 38 38 GLU N N 38 120.831 118.906 1.925 1
1 350 . 11 1 1 A 39 39 LYS H H 39 8.214 8.597 -0.383 1
1 351 . 11 1 1 A 39 39 LYS HA H 39 4.337 4.675 -0.338 1
1 360 . 11 1 1 A 39 39 LYS C C 39 176.749 177.755 -1.006 1
1 361 . 11 1 1 A 39 39 LYS CA C 39 56.498 54.570 1.928 1
1 362 . 11 1 1 A 39 39 LYS CB C 39 32.926 34.296 -1.370 1
1 366 . 11 1 1 A 39 39 LYS N N 39 121.436 128.010 -6.574 1
1 367 . 11 1 1 A 40 40 SER H H 40 8.282 8.983 -0.701 1
1 368 . 11 1 1 A 40 40 SER HA H 40 4.471 4.139 0.332 1
1 371 . 11 1 1 A 40 40 SER C C 40 174.618 175.565 -0.947 1
1 372 . 11 1 1 A 40 40 SER CA C 40 58.313 62.328 -4.015 1
1 373 . 11 1 1 A 40 40 SER CB C 40 63.713 63.050 0.663 1
1 374 . 11 1 1 A 40 40 SER N N 40 116.652 115.878 0.774 1
1 375 . 11 1 1 A 41 41 SER H H 41 8.315 7.754 0.561 1
1 376 . 11 1 1 A 41 41 SER HA H 41 4.505 4.705 -0.200 1
1 379 . 11 1 1 A 41 41 SER C C 41 174.491 174.045 0.446 1
1 380 . 11 1 1 A 41 41 SER CA C 41 58.298 57.168 1.130 1
1 381 . 11 1 1 A 41 41 SER CB C 41 63.977 63.933 0.044 1
1 382 . 11 1 1 A 41 41 SER N N 41 117.808 113.698 4.110 1
1 383 . 11 1 1 A 42 42 GLY H H 42 8.209 8.590 -0.381 1
1 384 . 11 1 1 A 42 42 GLY HA2 H 42 4.137 4.064 0.073 1
1 385 . 11 1 1 A 42 42 GLY HA3 H 42 4.137 4.064 0.073 1
1 386 . 11 1 1 A 42 42 GLY C C 42 171.766 172.811 -1.045 1
1 387 . 11 1 1 A 42 42 GLY CA C 42 44.693 44.404 0.289 1
1 388 . 11 1 1 A 42 42 GLY N N 42 110.577 111.072 -0.495 1
1 389 . 11 1 1 A 43 43 PRO HA H 43 4.477 4.523 -0.046 1
1 396 . 11 1 1 A 43 43 PRO C C 43 177.379 176.812 0.567 1
1 397 . 11 1 1 A 43 43 PRO CA C 43 63.211 62.390 0.821 1
1 398 . 11 1 1 A 43 43 PRO CB C 43 32.181 32.823 -0.642 1
1 401 . 11 1 1 A 44 44 SER H H 44 8.517 8.470 0.047 1
1 402 . 11 1 1 A 44 44 SER C C 44 174.661 174.724 -0.063 1
1 403 . 11 1 1 A 44 44 SER CA C 44 58.543 58.961 -0.418 1
1 404 . 11 1 1 A 44 44 SER CB C 44 64.118 63.358 0.760 1
1 1 . 12 1 1 A 8 8 SER HA H 8 4.438 5.110 -0.672 1
1 4 . 12 1 1 A 8 8 SER CA C 8 58.600 56.224 2.376 1
1 5 . 12 1 1 A 8 8 SER CB C 8 63.792 65.781 -1.989 1
1 6 . 12 1 1 A 9 9 GLY H H 9 8.454 8.384 0.070 1
1 7 . 12 1 1 A 9 9 GLY HA2 H 9 3.938 4.057 -0.119 1
1 8 . 12 1 1 A 9 9 GLY HA3 H 9 3.938 4.058 -0.120 1
1 9 . 12 1 1 A 9 9 GLY CA C 9 45.227 46.218 -0.991 1
1 10 . 12 1 1 A 9 9 GLY N N 9 110.842 110.285 0.557 1
1 11 . 12 1 1 A 10 10 GLU H H 10 8.211 8.603 -0.392 1
1 12 . 12 1 1 A 10 10 GLU HA H 10 4.206 4.569 -0.363 1
1 17 . 12 1 1 A 10 10 GLU CA C 10 56.709 55.993 0.716 1
1 18 . 12 1 1 A 10 10 GLU CB C 10 30.317 29.761 0.556 1
1 20 . 12 1 1 A 10 10 GLU N N 10 120.029 123.431 -3.402 1
1 21 . 12 1 1 A 11 11 ARG HA H 11 4.425 4.862 -0.437 1
1 28 . 12 1 1 A 11 11 ARG CA C 11 53.417 53.013 0.404 1
1 29 . 12 1 1 A 11 11 ARG CB C 11 29.953 32.382 -2.429 1
1 32 . 12 1 1 A 11 11 ARG N N 11 117.766 118.534 -0.768 1
1 33 . 12 1 1 A 12 12 PRO HA H 12 4.203 4.372 -0.169 1
1 40 . 12 1 1 A 12 12 PRO C C 12 176.483 176.252 0.231 1
1 41 . 12 1 1 A 12 12 PRO CA C 12 63.898 64.815 -0.917 1
1 42 . 12 1 1 A 12 12 PRO CB C 12 32.127 32.404 -0.277 1
1 45 . 12 1 1 A 13 13 PHE H H 13 7.791 7.244 0.547 1
1 46 . 12 1 1 A 13 13 PHE HA H 13 4.757 5.350 -0.593 1
1 54 . 12 1 1 A 13 13 PHE C C 13 174.511 174.350 0.161 1
1 55 . 12 1 1 A 13 13 PHE CA C 13 56.893 56.453 0.440 1
1 56 . 12 1 1 A 13 13 PHE CB C 13 39.090 42.639 -3.549 1
1 62 . 12 1 1 A 13 13 PHE N N 13 118.173 118.117 0.056 1
1 63 . 12 1 1 A 14 14 LYS H H 14 8.611 8.824 -0.213 1
1 64 . 12 1 1 A 14 14 LYS HA H 14 5.071 4.989 0.082 1
1 73 . 12 1 1 A 14 14 LYS C C 14 175.322 174.170 1.152 1
1 74 . 12 1 1 A 14 14 LYS CA C 14 55.006 55.680 -0.674 1
1 75 . 12 1 1 A 14 14 LYS CB C 14 35.258 37.009 -1.751 1
1 79 . 12 1 1 A 14 14 LYS N N 14 124.455 120.768 3.687 1
1 80 . 12 1 1 A 15 15 CYS H H 15 9.115 9.224 -0.109 1
1 81 . 12 1 1 A 15 15 CYS HA H 15 4.549 4.972 -0.423 1
1 84 . 12 1 1 A 15 15 CYS C C 15 177.457 175.720 1.737 1
1 85 . 12 1 1 A 15 15 CYS CA C 15 59.450 57.651 1.799 1
1 86 . 12 1 1 A 15 15 CYS CB C 15 29.959 30.090 -0.131 1
1 87 . 12 1 1 A 15 15 CYS N N 15 125.796 124.089 1.707 1
1 88 . 12 1 1 A 16 16 ASN H H 16 9.439 9.301 0.138 1
1 89 . 12 1 1 A 16 16 ASN HA H 16 4.552 4.617 -0.065 1
1 94 . 12 1 1 A 16 16 ASN C C 16 175.327 177.243 -1.916 1
1 95 . 12 1 1 A 16 16 ASN CA C 16 55.429 55.310 0.119 1
1 96 . 12 1 1 A 16 16 ASN CB C 16 38.518 38.438 0.080 1
1 97 . 12 1 1 A 16 16 ASN N N 16 130.041 126.765 3.276 1
1 99 . 12 1 1 A 17 17 GLU H H 17 9.013 7.953 1.060 1
1 100 . 12 1 1 A 17 17 GLU HA H 17 4.244 3.997 0.247 1
1 105 . 12 1 1 A 17 17 GLU C C 17 177.345 178.293 -0.948 1
1 106 . 12 1 1 A 17 17 GLU CA C 17 58.195 58.692 -0.497 1
1 107 . 12 1 1 A 17 17 GLU CB C 17 29.394 28.617 0.777 1
1 109 . 12 1 1 A 17 17 GLU N N 17 121.584 118.745 2.839 1
1 110 . 12 1 1 A 18 18 CYS H H 18 8.410 7.508 0.902 1
1 111 . 12 1 1 A 18 18 CYS HA H 18 5.193 4.723 0.470 1
1 114 . 12 1 1 A 18 18 CYS C C 18 176.413 175.515 0.898 1
1 115 . 12 1 1 A 18 18 CYS CA C 18 58.391 59.686 -1.295 1
1 116 . 12 1 1 A 18 18 CYS CB C 18 32.346 29.964 2.382 1
1 117 . 12 1 1 A 18 18 CYS N N 18 116.182 114.886 1.296 1
1 118 . 12 1 1 A 19 19 GLY H H 19 8.045 8.003 0.042 1
1 119 . 12 1 1 A 19 19 GLY HA2 H 19 4.260 4.095 0.165 1
1 120 . 12 1 1 A 19 19 GLY HA3 H 19 3.829 4.105 -0.276 1
1 121 . 12 1 1 A 19 19 GLY C C 19 173.661 174.677 -1.016 1
1 122 . 12 1 1 A 19 19 GLY CA C 19 46.298 45.008 1.290 1
1 123 . 12 1 1 A 19 19 GLY N N 19 113.361 109.799 3.562 1
1 124 . 12 1 1 A 20 20 LYS H H 20 7.930 7.521 0.409 1
1 125 . 12 1 1 A 20 20 LYS HA H 20 3.967 4.177 -0.210 1
1 134 . 12 1 1 A 20 20 LYS C C 20 174.605 175.630 -1.025 1
1 135 . 12 1 1 A 20 20 LYS CA C 20 58.241 56.333 1.908 1
1 136 . 12 1 1 A 20 20 LYS CB C 20 33.836 33.327 0.509 1
1 140 . 12 1 1 A 20 20 LYS N N 20 123.055 122.300 0.755 1
1 141 . 12 1 1 A 21 21 GLY H H 21 8.013 8.124 -0.111 1
1 142 . 12 1 1 A 21 21 GLY HA2 H 21 4.880 4.301 0.579 1
1 143 . 12 1 1 A 21 21 GLY HA3 H 21 3.336 4.435 -1.099 1
1 144 . 12 1 1 A 21 21 GLY CA C 21 44.008 44.197 -0.189 1
1 145 . 12 1 1 A 21 21 GLY N N 21 108.426 111.124 -2.698 1
1 146 . 12 1 1 A 22 22 PHE H H 22 8.731 9.011 -0.280 1
1 147 . 12 1 1 A 22 22 PHE HA H 22 4.731 5.151 -0.420 1
1 155 . 12 1 1 A 22 22 PHE CA C 22 57.510 56.620 0.890 1
1 156 . 12 1 1 A 22 22 PHE CB C 22 44.105 43.959 0.146 1
1 162 . 12 1 1 A 22 22 PHE N N 22 117.792 120.740 -2.948 1
1 163 . 12 1 1 A 23 23 GLY HA2 H 23 4.454 4.027 0.427 1
1 164 . 12 1 1 A 23 23 GLY HA3 H 23 4.094 4.027 0.067 1
1 165 . 12 1 1 A 23 23 GLY CA C 23 45.710 46.717 -1.007 1
1 166 . 12 1 1 A 23 23 GLY N N 23 109.000 110.625 -1.625 1
1 167 . 12 1 1 A 24 24 ARG H H 24 7.197 7.453 -0.256 1
1 168 . 12 1 1 A 24 24 ARG HA H 24 4.743 4.595 0.148 1
1 175 . 12 1 1 A 24 24 ARG CA C 24 53.655 54.546 -0.891 1
1 176 . 12 1 1 A 24 24 ARG CB C 24 33.460 31.231 2.229 1
1 179 . 12 1 1 A 24 24 ARG N N 24 114.927 119.904 -4.977 1
1 180 . 12 1 1 A 25 25 ARG HA H 25 2.980 2.725 0.255 1
1 187 . 12 1 1 A 25 25 ARG CA C 25 59.693 59.305 0.388 1
1 188 . 12 1 1 A 25 25 ARG CB C 25 29.253 29.596 -0.343 1
1 191 . 12 1 1 A 26 26 SER HA H 26 4.092 4.062 0.030 1
1 194 . 12 1 1 A 26 26 SER C C 26 177.471 177.134 0.337 1
1 195 . 12 1 1 A 26 26 SER CA C 26 60.832 61.145 -0.313 1
1 196 . 12 1 1 A 26 26 SER CB C 26 61.616 62.311 -0.695 1
1 197 . 12 1 1 A 26 26 SER N N 26 120.568 114.839 5.729 1
1 198 . 12 1 1 A 27 27 HIS H H 27 6.799 7.437 -0.638 1
1 199 . 12 1 1 A 27 27 HIS HA H 27 4.556 4.227 0.329 1
1 204 . 12 1 1 A 27 27 HIS C C 27 178.281 177.573 0.708 1
1 205 . 12 1 1 A 27 27 HIS CA C 27 56.589 59.106 -2.517 1
1 206 . 12 1 1 A 27 27 HIS CB C 27 31.722 29.672 2.050 1
1 209 . 12 1 1 A 27 27 HIS N N 27 122.717 119.072 3.645 1
1 210 . 12 1 1 A 28 28 LEU H H 28 7.026 7.451 -0.425 1
1 211 . 12 1 1 A 28 28 LEU HA H 28 3.249 2.660 0.589 1
1 221 . 12 1 1 A 28 28 LEU C C 28 177.146 177.803 -0.657 1
1 222 . 12 1 1 A 28 28 LEU CA C 28 57.742 56.766 0.976 1
1 223 . 12 1 1 A 28 28 LEU CB C 28 40.422 41.944 -1.522 1
1 227 . 12 1 1 A 28 28 LEU N N 28 121.528 120.382 1.146 1
1 228 . 12 1 1 A 29 29 ALA H H 29 8.188 8.427 -0.239 1
1 229 . 12 1 1 A 29 29 ALA HA H 29 3.979 3.998 -0.019 1
1 233 . 12 1 1 A 29 29 ALA C C 29 180.981 180.298 0.683 1
1 234 . 12 1 1 A 29 29 ALA CA C 29 55.545 55.458 0.087 1
1 235 . 12 1 1 A 29 29 ALA CB C 29 17.763 18.205 -0.442 1
1 236 . 12 1 1 A 29 29 ALA N N 29 120.526 120.504 0.022 1
1 237 . 12 1 1 A 30 30 GLY H H 30 7.724 7.915 -0.191 1
1 238 . 12 1 1 A 30 30 GLY HA2 H 30 3.886 3.579 0.307 1
1 239 . 12 1 1 A 30 30 GLY HA3 H 30 3.785 3.595 0.190 1
1 240 . 12 1 1 A 30 30 GLY C C 30 175.878 175.651 0.227 1
1 241 . 12 1 1 A 30 30 GLY CA C 30 46.909 47.070 -0.161 1
1 242 . 12 1 1 A 30 30 GLY N N 30 103.375 105.811 -2.436 1
1 243 . 12 1 1 A 31 31 HIS H H 31 7.499 8.298 -0.799 1
1 244 . 12 1 1 A 31 31 HIS HA H 31 4.195 4.098 0.097 1
1 249 . 12 1 1 A 31 31 HIS C C 31 176.680 176.521 0.159 1
1 250 . 12 1 1 A 31 31 HIS CA C 31 59.232 59.117 0.115 1
1 251 . 12 1 1 A 31 31 HIS CB C 31 28.775 30.010 -1.235 1
1 254 . 12 1 1 A 31 31 HIS N N 31 122.268 121.823 0.445 1
1 255 . 12 1 1 A 32 32 LEU H H 32 8.464 7.253 1.211 1
1 256 . 12 1 1 A 32 32 LEU HA H 32 3.900 4.247 -0.347 1
1 266 . 12 1 1 A 32 32 LEU C C 32 179.964 178.571 1.393 1
1 267 . 12 1 1 A 32 32 LEU CA C 32 58.183 56.381 1.802 1
1 268 . 12 1 1 A 32 32 LEU CB C 32 41.777 42.312 -0.535 1
1 272 . 12 1 1 A 32 32 LEU N N 32 118.124 118.722 -0.598 1
1 273 . 12 1 1 A 33 33 ARG H H 33 7.236 7.891 -0.655 1
1 274 . 12 1 1 A 33 33 ARG HA H 33 4.097 4.044 0.053 1
1 281 . 12 1 1 A 33 33 ARG C C 33 178.375 178.767 -0.392 1
1 282 . 12 1 1 A 33 33 ARG CA C 33 58.637 59.286 -0.649 1
1 283 . 12 1 1 A 33 33 ARG CB C 33 29.760 29.955 -0.195 1
1 286 . 12 1 1 A 33 33 ARG N N 33 117.491 119.795 -2.304 1
1 287 . 12 1 1 A 34 34 LEU H H 34 7.702 7.588 0.114 1
1 288 . 12 1 1 A 34 34 LEU HA H 34 4.031 4.040 -0.009 1
1 298 . 12 1 1 A 34 34 LEU C C 34 178.952 177.742 1.210 1
1 299 . 12 1 1 A 34 34 LEU CA C 34 56.816 57.139 -0.323 1
1 300 . 12 1 1 A 34 34 LEU CB C 34 40.886 41.158 -0.272 1
1 304 . 12 1 1 A 34 34 LEU N N 34 118.773 116.856 1.917 1
1 305 . 12 1 1 A 35 35 HIS H H 35 7.172 7.937 -0.765 1
1 306 . 12 1 1 A 35 35 HIS HA H 35 4.721 4.403 0.318 1
1 311 . 12 1 1 A 35 35 HIS C C 35 175.730 175.999 -0.269 1
1 312 . 12 1 1 A 35 35 HIS CA C 35 55.788 58.610 -2.822 1
1 313 . 12 1 1 A 35 35 HIS CB C 35 28.787 30.220 -1.433 1
1 316 . 12 1 1 A 35 35 HIS N N 35 115.314 117.177 -1.863 1
1 317 . 12 1 1 A 36 36 SER H H 36 7.773 7.620 0.153 1
1 318 . 12 1 1 A 36 36 SER HA H 36 4.410 4.847 -0.437 1
1 321 . 12 1 1 A 36 36 SER C C 36 175.092 174.708 0.384 1
1 322 . 12 1 1 A 36 36 SER CA C 36 59.320 57.298 2.022 1
1 323 . 12 1 1 A 36 36 SER CB C 36 63.614 63.932 -0.318 1
1 324 . 12 1 1 A 36 36 SER N N 36 114.851 112.150 2.701 1
1 325 . 12 1 1 A 37 37 ARG H H 37 8.264 7.794 0.470 1
1 326 . 12 1 1 A 37 37 ARG HA H 37 4.340 4.596 -0.256 1
1 333 . 12 1 1 A 37 37 ARG C C 37 176.804 175.561 1.243 1
1 334 . 12 1 1 A 37 37 ARG CA C 37 56.665 56.626 0.039 1
1 335 . 12 1 1 A 37 37 ARG CB C 37 30.544 32.191 -1.647 1
1 338 . 12 1 1 A 37 37 ARG N N 37 122.680 118.669 4.011 1
1 339 . 12 1 1 A 38 38 GLU H H 38 8.236 7.879 0.357 1
1 340 . 12 1 1 A 38 38 GLU HA H 38 4.242 4.525 -0.283 1
1 345 . 12 1 1 A 38 38 GLU C C 38 176.807 174.734 2.073 1
1 346 . 12 1 1 A 38 38 GLU CA C 38 56.861 55.353 1.508 1
1 347 . 12 1 1 A 38 38 GLU CB C 38 30.121 30.186 -0.065 1
1 349 . 12 1 1 A 38 38 GLU N N 38 120.831 119.308 1.523 1
1 350 . 12 1 1 A 39 39 LYS H H 39 8.214 7.910 0.304 1
1 351 . 12 1 1 A 39 39 LYS HA H 39 4.337 5.191 -0.854 1
1 360 . 12 1 1 A 39 39 LYS C C 39 176.749 174.893 1.856 1
1 361 . 12 1 1 A 39 39 LYS CA C 39 56.498 54.428 2.070 1
1 362 . 12 1 1 A 39 39 LYS CB C 39 32.926 36.196 -3.270 1
1 366 . 12 1 1 A 39 39 LYS N N 39 121.436 118.551 2.885 1
1 367 . 12 1 1 A 40 40 SER H H 40 8.282 8.628 -0.346 1
1 368 . 12 1 1 A 40 40 SER HA H 40 4.471 4.984 -0.513 1
1 371 . 12 1 1 A 40 40 SER C C 40 174.618 173.263 1.355 1
1 372 . 12 1 1 A 40 40 SER CA C 40 58.313 56.919 1.394 1
1 373 . 12 1 1 A 40 40 SER CB C 40 63.713 66.309 -2.596 1
1 374 . 12 1 1 A 40 40 SER N N 40 116.652 115.799 0.853 1
1 375 . 12 1 1 A 41 41 SER H H 41 8.315 8.804 -0.489 1
1 376 . 12 1 1 A 41 41 SER HA H 41 4.505 4.495 0.010 1
1 379 . 12 1 1 A 41 41 SER C C 41 174.491 174.805 -0.314 1
1 380 . 12 1 1 A 41 41 SER CA C 41 58.298 59.672 -1.374 1
1 381 . 12 1 1 A 41 41 SER CB C 41 63.977 62.970 1.007 1
1 382 . 12 1 1 A 41 41 SER N N 41 117.808 119.443 -1.635 1
1 383 . 12 1 1 A 42 42 GLY H H 42 8.209 8.546 -0.337 1
1 384 . 12 1 1 A 42 42 GLY HA2 H 42 4.137 4.075 0.062 1
1 385 . 12 1 1 A 42 42 GLY HA3 H 42 4.137 4.076 0.061 1
1 386 . 12 1 1 A 42 42 GLY C C 42 171.766 175.014 -3.248 1
1 387 . 12 1 1 A 42 42 GLY CA C 42 44.693 44.344 0.349 1
1 388 . 12 1 1 A 42 42 GLY N N 42 110.577 113.105 -2.528 1
1 389 . 12 1 1 A 43 43 PRO HA H 43 4.477 4.502 -0.025 1
1 396 . 12 1 1 A 43 43 PRO C C 43 177.379 176.280 1.099 1
1 397 . 12 1 1 A 43 43 PRO CA C 43 63.211 64.282 -1.071 1
1 398 . 12 1 1 A 43 43 PRO CB C 43 32.181 31.857 0.324 1
1 401 . 12 1 1 A 44 44 SER H H 44 8.517 7.756 0.761 1
1 402 . 12 1 1 A 44 44 SER C C 44 174.661 174.208 0.453 1
1 403 . 12 1 1 A 44 44 SER CA C 44 58.543 60.698 -2.155 1
1 404 . 12 1 1 A 44 44 SER CB C 44 64.118 63.579 0.539 1
1 1 . 13 1 1 A 8 8 SER HA H 8 4.438 5.044 -0.606 1
1 4 . 13 1 1 A 8 8 SER CA C 8 58.600 56.546 2.054 1
1 5 . 13 1 1 A 8 8 SER CB C 8 63.792 65.514 -1.722 1
1 6 . 13 1 1 A 9 9 GLY H H 9 8.454 8.383 0.071 1
1 7 . 13 1 1 A 9 9 GLY HA2 H 9 3.938 4.150 -0.212 1
1 8 . 13 1 1 A 9 9 GLY HA3 H 9 3.938 4.160 -0.222 1
1 9 . 13 1 1 A 9 9 GLY CA C 9 45.227 45.202 0.025 1
1 10 . 13 1 1 A 9 9 GLY N N 9 110.842 113.577 -2.735 1
1 11 . 13 1 1 A 10 10 GLU H H 10 8.211 8.760 -0.549 1
1 12 . 13 1 1 A 10 10 GLU HA H 10 4.206 4.494 -0.288 1
1 17 . 13 1 1 A 10 10 GLU CA C 10 56.709 55.648 1.061 1
1 18 . 13 1 1 A 10 10 GLU CB C 10 30.317 28.289 2.028 1
1 20 . 13 1 1 A 10 10 GLU N N 10 120.029 124.431 -4.402 1
1 21 . 13 1 1 A 11 11 ARG HA H 11 4.425 4.485 -0.060 1
1 28 . 13 1 1 A 11 11 ARG CA C 11 53.417 54.317 -0.900 1
1 29 . 13 1 1 A 11 11 ARG CB C 11 29.953 29.756 0.197 1
1 32 . 13 1 1 A 11 11 ARG N N 11 117.766 124.012 -6.246 1
1 33 . 13 1 1 A 12 12 PRO HA H 12 4.203 4.429 -0.226 1
1 40 . 13 1 1 A 12 12 PRO C C 12 176.483 176.266 0.217 1
1 41 . 13 1 1 A 12 12 PRO CA C 12 63.898 64.734 -0.836 1
1 42 . 13 1 1 A 12 12 PRO CB C 12 32.127 32.296 -0.169 1
1 45 . 13 1 1 A 13 13 PHE H H 13 7.791 7.337 0.454 1
1 46 . 13 1 1 A 13 13 PHE HA H 13 4.757 5.272 -0.515 1
1 54 . 13 1 1 A 13 13 PHE C C 13 174.511 174.342 0.169 1
1 55 . 13 1 1 A 13 13 PHE CA C 13 56.893 56.334 0.559 1
1 56 . 13 1 1 A 13 13 PHE CB C 13 39.090 43.086 -3.996 1
1 62 . 13 1 1 A 13 13 PHE N N 13 118.173 118.139 0.034 1
1 63 . 13 1 1 A 14 14 LYS H H 14 8.611 8.800 -0.189 1
1 64 . 13 1 1 A 14 14 LYS HA H 14 5.071 4.772 0.299 1
1 73 . 13 1 1 A 14 14 LYS C C 14 175.322 174.254 1.068 1
1 74 . 13 1 1 A 14 14 LYS CA C 14 55.006 55.718 -0.712 1
1 75 . 13 1 1 A 14 14 LYS CB C 14 35.258 36.998 -1.740 1
1 79 . 13 1 1 A 14 14 LYS N N 14 124.455 120.145 4.310 1
1 80 . 13 1 1 A 15 15 CYS H H 15 9.115 8.764 0.351 1
1 81 . 13 1 1 A 15 15 CYS HA H 15 4.549 4.881 -0.332 1
1 84 . 13 1 1 A 15 15 CYS C C 15 177.457 176.254 1.203 1
1 85 . 13 1 1 A 15 15 CYS CA C 15 59.450 57.956 1.494 1
1 86 . 13 1 1 A 15 15 CYS CB C 15 29.959 30.180 -0.221 1
1 87 . 13 1 1 A 15 15 CYS N N 15 125.796 123.987 1.809 1
1 88 . 13 1 1 A 16 16 ASN H H 16 9.439 9.413 0.026 1
1 89 . 13 1 1 A 16 16 ASN HA H 16 4.552 5.110 -0.558 1
1 94 . 13 1 1 A 16 16 ASN C C 16 175.327 175.699 -0.372 1
1 95 . 13 1 1 A 16 16 ASN CA C 16 55.429 53.275 2.154 1
1 96 . 13 1 1 A 16 16 ASN CB C 16 38.518 38.777 -0.259 1
1 97 . 13 1 1 A 16 16 ASN N N 16 130.041 127.022 3.019 1
1 99 . 13 1 1 A 17 17 GLU H H 17 9.013 7.530 1.483 1
1 100 . 13 1 1 A 17 17 GLU HA H 17 4.244 4.443 -0.199 1
1 105 . 13 1 1 A 17 17 GLU C C 17 177.345 177.841 -0.496 1
1 106 . 13 1 1 A 17 17 GLU CA C 17 58.195 57.318 0.877 1
1 107 . 13 1 1 A 17 17 GLU CB C 17 29.394 31.277 -1.883 1
1 109 . 13 1 1 A 17 17 GLU N N 17 121.584 118.095 3.489 1
1 110 . 13 1 1 A 18 18 CYS H H 18 8.410 7.628 0.782 1
1 111 . 13 1 1 A 18 18 CYS HA H 18 5.193 4.693 0.500 1
1 114 . 13 1 1 A 18 18 CYS C C 18 176.413 175.442 0.971 1
1 115 . 13 1 1 A 18 18 CYS CA C 18 58.391 59.715 -1.324 1
1 116 . 13 1 1 A 18 18 CYS CB C 18 32.346 29.917 2.429 1
1 117 . 13 1 1 A 18 18 CYS N N 18 116.182 114.569 1.613 1
1 118 . 13 1 1 A 19 19 GLY H H 19 8.045 8.009 0.036 1
1 119 . 13 1 1 A 19 19 GLY HA2 H 19 4.260 4.105 0.155 1
1 120 . 13 1 1 A 19 19 GLY HA3 H 19 3.829 4.113 -0.284 1
1 121 . 13 1 1 A 19 19 GLY C C 19 173.661 174.356 -0.695 1
1 122 . 13 1 1 A 19 19 GLY CA C 19 46.298 45.043 1.255 1
1 123 . 13 1 1 A 19 19 GLY N N 19 113.361 109.840 3.521 1
1 124 . 13 1 1 A 20 20 LYS H H 20 7.930 8.050 -0.120 1
1 125 . 13 1 1 A 20 20 LYS HA H 20 3.967 4.579 -0.612 1
1 134 . 13 1 1 A 20 20 LYS C C 20 174.605 175.626 -1.021 1
1 135 . 13 1 1 A 20 20 LYS CA C 20 58.241 55.089 3.152 1
1 136 . 13 1 1 A 20 20 LYS CB C 20 33.836 33.315 0.521 1
1 140 . 13 1 1 A 20 20 LYS N N 20 123.055 121.969 1.086 1
1 141 . 13 1 1 A 21 21 GLY H H 21 8.013 8.687 -0.674 1
1 142 . 13 1 1 A 21 21 GLY HA2 H 21 4.880 4.240 0.640 1
1 143 . 13 1 1 A 21 21 GLY HA3 H 21 3.336 4.377 -1.041 1
1 144 . 13 1 1 A 21 21 GLY CA C 21 44.008 44.027 -0.019 1
1 145 . 13 1 1 A 21 21 GLY N N 21 108.426 112.715 -4.289 1
1 146 . 13 1 1 A 22 22 PHE H H 22 8.731 9.045 -0.314 1
1 147 . 13 1 1 A 22 22 PHE HA H 22 4.731 5.066 -0.335 1
1 155 . 13 1 1 A 22 22 PHE CA C 22 57.510 56.547 0.963 1
1 156 . 13 1 1 A 22 22 PHE CB C 22 44.105 43.155 0.950 1
1 162 . 13 1 1 A 22 22 PHE N N 22 117.792 121.751 -3.959 1
1 163 . 13 1 1 A 23 23 GLY HA2 H 23 4.454 3.918 0.536 1
1 164 . 13 1 1 A 23 23 GLY HA3 H 23 4.094 3.957 0.137 1
1 165 . 13 1 1 A 23 23 GLY CA C 23 45.710 46.775 -1.065 1
1 166 . 13 1 1 A 23 23 GLY N N 23 109.000 110.313 -1.313 1
1 167 . 13 1 1 A 24 24 ARG H H 24 7.197 7.672 -0.475 1
1 168 . 13 1 1 A 24 24 ARG HA H 24 4.743 4.484 0.259 1
1 175 . 13 1 1 A 24 24 ARG CA C 24 53.655 54.413 -0.758 1
1 176 . 13 1 1 A 24 24 ARG CB C 24 33.460 31.823 1.637 1
1 179 . 13 1 1 A 24 24 ARG N N 24 114.927 119.953 -5.026 1
1 180 . 13 1 1 A 25 25 ARG HA H 25 2.980 2.788 0.192 1
1 187 . 13 1 1 A 25 25 ARG CA C 25 59.693 59.259 0.434 1
1 188 . 13 1 1 A 25 25 ARG CB C 25 29.253 29.950 -0.697 1
1 191 . 13 1 1 A 26 26 SER HA H 26 4.092 4.145 -0.053 1
1 194 . 13 1 1 A 26 26 SER C C 26 177.471 177.101 0.370 1
1 195 . 13 1 1 A 26 26 SER CA C 26 60.832 61.448 -0.616 1
1 196 . 13 1 1 A 26 26 SER CB C 26 61.616 62.364 -0.748 1
1 197 . 13 1 1 A 26 26 SER N N 26 120.568 114.406 6.162 1
1 198 . 13 1 1 A 27 27 HIS H H 27 6.799 7.658 -0.859 1
1 199 . 13 1 1 A 27 27 HIS HA H 27 4.556 4.262 0.294 1
1 204 . 13 1 1 A 27 27 HIS C C 27 178.281 177.629 0.652 1
1 205 . 13 1 1 A 27 27 HIS CA C 27 56.589 59.147 -2.558 1
1 206 . 13 1 1 A 27 27 HIS CB C 27 31.722 29.617 2.105 1
1 209 . 13 1 1 A 27 27 HIS N N 27 122.717 119.051 3.666 1
1 210 . 13 1 1 A 28 28 LEU H H 28 7.026 7.697 -0.671 1
1 211 . 13 1 1 A 28 28 LEU HA H 28 3.249 2.666 0.583 1
1 221 . 13 1 1 A 28 28 LEU C C 28 177.146 177.702 -0.556 1
1 222 . 13 1 1 A 28 28 LEU CA C 28 57.742 56.851 0.891 1
1 223 . 13 1 1 A 28 28 LEU CB C 28 40.422 41.875 -1.453 1
1 227 . 13 1 1 A 28 28 LEU N N 28 121.528 120.535 0.993 1
1 228 . 13 1 1 A 29 29 ALA H H 29 8.188 8.499 -0.311 1
1 229 . 13 1 1 A 29 29 ALA HA H 29 3.979 4.011 -0.032 1
1 233 . 13 1 1 A 29 29 ALA C C 29 180.981 180.233 0.748 1
1 234 . 13 1 1 A 29 29 ALA CA C 29 55.545 55.437 0.108 1
1 235 . 13 1 1 A 29 29 ALA CB C 29 17.763 18.455 -0.692 1
1 236 . 13 1 1 A 29 29 ALA N N 29 120.526 120.387 0.139 1
1 237 . 13 1 1 A 30 30 GLY H H 30 7.724 7.900 -0.176 1
1 238 . 13 1 1 A 30 30 GLY HA2 H 30 3.886 3.565 0.321 1
1 239 . 13 1 1 A 30 30 GLY HA3 H 30 3.785 3.588 0.197 1
1 240 . 13 1 1 A 30 30 GLY C C 30 175.878 175.622 0.256 1
1 241 . 13 1 1 A 30 30 GLY CA C 30 46.909 47.091 -0.182 1
1 242 . 13 1 1 A 30 30 GLY N N 30 103.375 106.313 -2.938 1
1 243 . 13 1 1 A 31 31 HIS H H 31 7.499 8.276 -0.777 1
1 244 . 13 1 1 A 31 31 HIS HA H 31 4.195 4.107 0.088 1
1 249 . 13 1 1 A 31 31 HIS C C 31 176.680 176.411 0.269 1
1 250 . 13 1 1 A 31 31 HIS CA C 31 59.232 59.176 0.056 1
1 251 . 13 1 1 A 31 31 HIS CB C 31 28.775 30.075 -1.300 1
1 254 . 13 1 1 A 31 31 HIS N N 31 122.268 121.814 0.454 1
1 255 . 13 1 1 A 32 32 LEU H H 32 8.464 7.340 1.124 1
1 256 . 13 1 1 A 32 32 LEU HA H 32 3.900 4.302 -0.402 1
1 266 . 13 1 1 A 32 32 LEU C C 32 179.964 178.660 1.304 1
1 267 . 13 1 1 A 32 32 LEU CA C 32 58.183 56.399 1.784 1
1 268 . 13 1 1 A 32 32 LEU CB C 32 41.777 42.299 -0.522 1
1 272 . 13 1 1 A 32 32 LEU N N 32 118.124 118.787 -0.663 1
1 273 . 13 1 1 A 33 33 ARG H H 33 7.236 8.058 -0.822 1
1 274 . 13 1 1 A 33 33 ARG HA H 33 4.097 3.977 0.120 1
1 281 . 13 1 1 A 33 33 ARG C C 33 178.375 178.722 -0.347 1
1 282 . 13 1 1 A 33 33 ARG CA C 33 58.637 59.630 -0.993 1
1 283 . 13 1 1 A 33 33 ARG CB C 33 29.760 30.121 -0.361 1
1 286 . 13 1 1 A 33 33 ARG N N 33 117.491 119.373 -1.882 1
1 287 . 13 1 1 A 34 34 LEU H H 34 7.702 7.492 0.210 1
1 288 . 13 1 1 A 34 34 LEU HA H 34 4.031 4.006 0.025 1
1 298 . 13 1 1 A 34 34 LEU C C 34 178.952 178.790 0.162 1
1 299 . 13 1 1 A 34 34 LEU CA C 34 56.816 57.360 -0.544 1
1 300 . 13 1 1 A 34 34 LEU CB C 34 40.886 41.135 -0.249 1
1 304 . 13 1 1 A 34 34 LEU N N 34 118.773 117.712 1.061 1
1 305 . 13 1 1 A 35 35 HIS H H 35 7.172 7.974 -0.802 1
1 306 . 13 1 1 A 35 35 HIS HA H 35 4.721 4.200 0.521 1
1 311 . 13 1 1 A 35 35 HIS C C 35 175.730 176.413 -0.683 1
1 312 . 13 1 1 A 35 35 HIS CA C 35 55.788 59.895 -4.107 1
1 313 . 13 1 1 A 35 35 HIS CB C 35 28.787 30.514 -1.727 1
1 316 . 13 1 1 A 35 35 HIS N N 35 115.314 118.404 -3.090 1
1 317 . 13 1 1 A 36 36 SER H H 36 7.773 7.374 0.399 1
1 318 . 13 1 1 A 36 36 SER HA H 36 4.410 4.459 -0.049 1
1 321 . 13 1 1 A 36 36 SER C C 36 175.092 173.453 1.639 1
1 322 . 13 1 1 A 36 36 SER CA C 36 59.320 57.394 1.926 1
1 323 . 13 1 1 A 36 36 SER CB C 36 63.614 62.990 0.624 1
1 324 . 13 1 1 A 36 36 SER N N 36 114.851 111.619 3.232 1
1 325 . 13 1 1 A 37 37 ARG H H 37 8.264 7.504 0.760 1
1 326 . 13 1 1 A 37 37 ARG HA H 37 4.340 4.447 -0.107 1
1 333 . 13 1 1 A 37 37 ARG C C 37 176.804 175.661 1.143 1
1 334 . 13 1 1 A 37 37 ARG CA C 37 56.665 55.576 1.089 1
1 335 . 13 1 1 A 37 37 ARG CB C 37 30.544 31.178 -0.634 1
1 338 . 13 1 1 A 37 37 ARG N N 37 122.680 119.716 2.964 1
1 339 . 13 1 1 A 38 38 GLU H H 38 8.236 9.015 -0.779 1
1 340 . 13 1 1 A 38 38 GLU HA H 38 4.242 3.896 0.346 1
1 345 . 13 1 1 A 38 38 GLU C C 38 176.807 175.930 0.877 1
1 346 . 13 1 1 A 38 38 GLU CA C 38 56.861 57.313 -0.452 1
1 347 . 13 1 1 A 38 38 GLU CB C 38 30.121 27.629 2.492 1
1 349 . 13 1 1 A 38 38 GLU N N 38 120.831 116.801 4.030 1
1 350 . 13 1 1 A 39 39 LYS H H 39 8.214 7.918 0.296 1
1 351 . 13 1 1 A 39 39 LYS HA H 39 4.337 4.597 -0.260 1
1 360 . 13 1 1 A 39 39 LYS C C 39 176.749 178.199 -1.450 1
1 361 . 13 1 1 A 39 39 LYS CA C 39 56.498 57.794 -1.296 1
1 362 . 13 1 1 A 39 39 LYS CB C 39 32.926 34.772 -1.846 1
1 366 . 13 1 1 A 39 39 LYS N N 39 121.436 119.000 2.436 1
1 367 . 13 1 1 A 40 40 SER H H 40 8.282 8.117 0.165 1
1 368 . 13 1 1 A 40 40 SER HA H 40 4.471 4.237 0.234 1
1 371 . 13 1 1 A 40 40 SER C C 40 174.618 174.514 0.104 1
1 372 . 13 1 1 A 40 40 SER CA C 40 58.313 61.403 -3.090 1
1 373 . 13 1 1 A 40 40 SER CB C 40 63.713 62.843 0.870 1
1 374 . 13 1 1 A 40 40 SER N N 40 116.652 114.852 1.800 1
1 375 . 13 1 1 A 41 41 SER H H 41 8.315 7.899 0.416 1
1 376 . 13 1 1 A 41 41 SER HA H 41 4.505 4.347 0.158 1
1 379 . 13 1 1 A 41 41 SER C C 41 174.491 174.279 0.212 1
1 380 . 13 1 1 A 41 41 SER CA C 41 58.298 59.649 -1.351 1
1 381 . 13 1 1 A 41 41 SER CB C 41 63.977 63.572 0.405 1
1 382 . 13 1 1 A 41 41 SER N N 41 117.808 117.151 0.657 1
1 383 . 13 1 1 A 42 42 GLY H H 42 8.209 8.936 -0.727 1
1 384 . 13 1 1 A 42 42 GLY HA2 H 42 4.137 4.191 -0.054 1
1 385 . 13 1 1 A 42 42 GLY HA3 H 42 4.137 4.191 -0.054 1
1 386 . 13 1 1 A 42 42 GLY C C 42 171.766 173.535 -1.769 1
1 387 . 13 1 1 A 42 42 GLY CA C 42 44.693 44.720 -0.027 1
1 388 . 13 1 1 A 42 42 GLY N N 42 110.577 114.125 -3.548 1
1 389 . 13 1 1 A 43 43 PRO HA H 43 4.477 4.729 -0.252 1
1 396 . 13 1 1 A 43 43 PRO C C 43 177.379 175.975 1.404 1
1 397 . 13 1 1 A 43 43 PRO CA C 43 63.211 62.812 0.399 1
1 398 . 13 1 1 A 43 43 PRO CB C 43 32.181 33.355 -1.174 1
1 401 . 13 1 1 A 44 44 SER H H 44 8.517 8.304 0.213 1
1 402 . 13 1 1 A 44 44 SER C C 44 174.661 174.712 -0.051 1
1 403 . 13 1 1 A 44 44 SER CA C 44 58.543 57.089 1.454 1
1 404 . 13 1 1 A 44 44 SER CB C 44 64.118 63.173 0.945 1
1 1 . 14 1 1 A 8 8 SER HA H 8 4.438 4.790 -0.352 1
1 4 . 14 1 1 A 8 8 SER CA C 8 58.600 57.780 0.820 1
1 5 . 14 1 1 A 8 8 SER CB C 8 63.792 63.118 0.674 1
1 6 . 14 1 1 A 9 9 GLY H H 9 8.454 7.723 0.731 1
1 7 . 14 1 1 A 9 9 GLY HA2 H 9 3.938 4.206 -0.268 1
1 8 . 14 1 1 A 9 9 GLY HA3 H 9 3.938 4.212 -0.274 1
1 9 . 14 1 1 A 9 9 GLY CA C 9 45.227 45.167 0.060 1
1 10 . 14 1 1 A 9 9 GLY N N 9 110.842 108.759 2.083 1
1 11 . 14 1 1 A 10 10 GLU H H 10 8.211 8.921 -0.710 1
1 12 . 14 1 1 A 10 10 GLU HA H 10 4.206 4.640 -0.434 1
1 17 . 14 1 1 A 10 10 GLU CA C 10 56.709 55.920 0.789 1
1 18 . 14 1 1 A 10 10 GLU CB C 10 30.317 29.330 0.987 1
1 20 . 14 1 1 A 10 10 GLU N N 10 120.029 125.177 -5.148 1
1 21 . 14 1 1 A 11 11 ARG HA H 11 4.425 4.846 -0.421 1
1 28 . 14 1 1 A 11 11 ARG CA C 11 53.417 53.043 0.374 1
1 29 . 14 1 1 A 11 11 ARG CB C 11 29.953 31.648 -1.695 1
1 32 . 14 1 1 A 11 11 ARG N N 11 117.766 119.501 -1.735 1
1 33 . 14 1 1 A 12 12 PRO HA H 12 4.203 4.324 -0.121 1
1 40 . 14 1 1 A 12 12 PRO C C 12 176.483 176.165 0.318 1
1 41 . 14 1 1 A 12 12 PRO CA C 12 63.898 64.696 -0.798 1
1 42 . 14 1 1 A 12 12 PRO CB C 12 32.127 32.336 -0.209 1
1 45 . 14 1 1 A 13 13 PHE H H 13 7.791 7.181 0.610 1
1 46 . 14 1 1 A 13 13 PHE HA H 13 4.757 5.335 -0.578 1
1 54 . 14 1 1 A 13 13 PHE C C 13 174.511 174.343 0.168 1
1 55 . 14 1 1 A 13 13 PHE CA C 13 56.893 56.246 0.647 1
1 56 . 14 1 1 A 13 13 PHE CB C 13 39.090 43.040 -3.950 1
1 62 . 14 1 1 A 13 13 PHE N N 13 118.173 118.086 0.087 1
1 63 . 14 1 1 A 14 14 LYS H H 14 8.611 8.821 -0.210 1
1 64 . 14 1 1 A 14 14 LYS HA H 14 5.071 4.964 0.107 1
1 73 . 14 1 1 A 14 14 LYS C C 14 175.322 174.029 1.293 1
1 74 . 14 1 1 A 14 14 LYS CA C 14 55.006 55.751 -0.745 1
1 75 . 14 1 1 A 14 14 LYS CB C 14 35.258 37.013 -1.755 1
1 79 . 14 1 1 A 14 14 LYS N N 14 124.455 120.209 4.246 1
1 80 . 14 1 1 A 15 15 CYS H H 15 9.115 9.222 -0.107 1
1 81 . 14 1 1 A 15 15 CYS HA H 15 4.549 5.018 -0.469 1
1 84 . 14 1 1 A 15 15 CYS C C 15 177.457 175.074 2.383 1
1 85 . 14 1 1 A 15 15 CYS CA C 15 59.450 57.731 1.719 1
1 86 . 14 1 1 A 15 15 CYS CB C 15 29.959 30.080 -0.121 1
1 87 . 14 1 1 A 15 15 CYS N N 15 125.796 124.083 1.713 1
1 88 . 14 1 1 A 16 16 ASN H H 16 9.439 9.097 0.342 1
1 89 . 14 1 1 A 16 16 ASN HA H 16 4.552 4.661 -0.109 1
1 94 . 14 1 1 A 16 16 ASN C C 16 175.327 177.464 -2.137 1
1 95 . 14 1 1 A 16 16 ASN CA C 16 55.429 54.899 0.530 1
1 96 . 14 1 1 A 16 16 ASN CB C 16 38.518 38.697 -0.179 1
1 97 . 14 1 1 A 16 16 ASN N N 16 130.041 125.958 4.083 1
1 99 . 14 1 1 A 17 17 GLU H H 17 9.013 7.903 1.110 1
1 100 . 14 1 1 A 17 17 GLU HA H 17 4.244 3.954 0.290 1
1 105 . 14 1 1 A 17 17 GLU C C 17 177.345 178.328 -0.983 1
1 106 . 14 1 1 A 17 17 GLU CA C 17 58.195 58.825 -0.630 1
1 107 . 14 1 1 A 17 17 GLU CB C 17 29.394 28.480 0.914 1
1 109 . 14 1 1 A 17 17 GLU N N 17 121.584 120.543 1.041 1
1 110 . 14 1 1 A 18 18 CYS H H 18 8.410 7.503 0.907 1
1 111 . 14 1 1 A 18 18 CYS HA H 18 5.193 4.728 0.465 1
1 114 . 14 1 1 A 18 18 CYS C C 18 176.413 175.548 0.865 1
1 115 . 14 1 1 A 18 18 CYS CA C 18 58.391 59.563 -1.172 1
1 116 . 14 1 1 A 18 18 CYS CB C 18 32.346 30.038 2.308 1
1 117 . 14 1 1 A 18 18 CYS N N 18 116.182 114.834 1.348 1
1 118 . 14 1 1 A 19 19 GLY H H 19 8.045 8.033 0.012 1
1 119 . 14 1 1 A 19 19 GLY HA2 H 19 4.260 4.095 0.165 1
1 120 . 14 1 1 A 19 19 GLY HA3 H 19 3.829 4.106 -0.277 1
1 121 . 14 1 1 A 19 19 GLY C C 19 173.661 174.707 -1.046 1
1 122 . 14 1 1 A 19 19 GLY CA C 19 46.298 45.055 1.243 1
1 123 . 14 1 1 A 19 19 GLY N N 19 113.361 109.863 3.498 1
1 124 . 14 1 1 A 20 20 LYS H H 20 7.930 7.973 -0.043 1
1 125 . 14 1 1 A 20 20 LYS HA H 20 3.967 4.311 -0.344 1
1 134 . 14 1 1 A 20 20 LYS C C 20 174.605 175.690 -1.085 1
1 135 . 14 1 1 A 20 20 LYS CA C 20 58.241 56.010 2.231 1
1 136 . 14 1 1 A 20 20 LYS CB C 20 33.836 33.496 0.340 1
1 140 . 14 1 1 A 20 20 LYS N N 20 123.055 121.947 1.108 1
1 141 . 14 1 1 A 21 21 GLY H H 21 8.013 8.121 -0.108 1
1 142 . 14 1 1 A 21 21 GLY HA2 H 21 4.880 4.331 0.549 1
1 143 . 14 1 1 A 21 21 GLY HA3 H 21 3.336 4.478 -1.142 1
1 144 . 14 1 1 A 21 21 GLY CA C 21 44.008 44.155 -0.147 1
1 145 . 14 1 1 A 21 21 GLY N N 21 108.426 111.343 -2.917 1
1 146 . 14 1 1 A 22 22 PHE H H 22 8.731 8.995 -0.264 1
1 147 . 14 1 1 A 22 22 PHE HA H 22 4.731 5.130 -0.399 1
1 155 . 14 1 1 A 22 22 PHE CA C 22 57.510 56.408 1.102 1
1 156 . 14 1 1 A 22 22 PHE CB C 22 44.105 43.495 0.610 1
1 162 . 14 1 1 A 22 22 PHE N N 22 117.792 120.711 -2.919 1
1 163 . 14 1 1 A 23 23 GLY HA2 H 23 4.454 3.913 0.541 1
1 164 . 14 1 1 A 23 23 GLY HA3 H 23 4.094 3.946 0.148 1
1 165 . 14 1 1 A 23 23 GLY CA C 23 45.710 46.754 -1.044 1
1 166 . 14 1 1 A 23 23 GLY N N 23 109.000 110.843 -1.843 1
1 167 . 14 1 1 A 24 24 ARG H H 24 7.197 7.683 -0.486 1
1 168 . 14 1 1 A 24 24 ARG HA H 24 4.743 4.608 0.135 1
1 175 . 14 1 1 A 24 24 ARG CA C 24 53.655 54.432 -0.777 1
1 176 . 14 1 1 A 24 24 ARG CB C 24 33.460 32.208 1.252 1
1 179 . 14 1 1 A 24 24 ARG N N 24 114.927 120.525 -5.598 1
1 180 . 14 1 1 A 25 25 ARG HA H 25 2.980 2.774 0.206 1
1 187 . 14 1 1 A 25 25 ARG CA C 25 59.693 59.594 0.099 1
1 188 . 14 1 1 A 25 25 ARG CB C 25 29.253 29.773 -0.520 1
1 191 . 14 1 1 A 26 26 SER HA H 26 4.092 4.120 -0.028 1
1 194 . 14 1 1 A 26 26 SER C C 26 177.471 177.392 0.079 1
1 195 . 14 1 1 A 26 26 SER CA C 26 60.832 60.902 -0.070 1
1 196 . 14 1 1 A 26 26 SER CB C 26 61.616 63.007 -1.391 1
1 197 . 14 1 1 A 26 26 SER N N 26 120.568 113.755 6.813 1
1 198 . 14 1 1 A 27 27 HIS H H 27 6.799 7.665 -0.866 1
1 199 . 14 1 1 A 27 27 HIS HA H 27 4.556 4.255 0.301 1
1 204 . 14 1 1 A 27 27 HIS C C 27 178.281 177.422 0.859 1
1 205 . 14 1 1 A 27 27 HIS CA C 27 56.589 59.140 -2.551 1
1 206 . 14 1 1 A 27 27 HIS CB C 27 31.722 29.584 2.138 1
1 209 . 14 1 1 A 27 27 HIS N N 27 122.717 119.344 3.373 1
1 210 . 14 1 1 A 28 28 LEU H H 28 7.026 7.626 -0.600 1
1 211 . 14 1 1 A 28 28 LEU HA H 28 3.249 2.723 0.526 1
1 221 . 14 1 1 A 28 28 LEU C C 28 177.146 177.725 -0.579 1
1 222 . 14 1 1 A 28 28 LEU CA C 28 57.742 57.039 0.703 1
1 223 . 14 1 1 A 28 28 LEU CB C 28 40.422 41.803 -1.381 1
1 227 . 14 1 1 A 28 28 LEU N N 28 121.528 120.502 1.026 1
1 228 . 14 1 1 A 29 29 ALA H H 29 8.188 8.398 -0.210 1
1 229 . 14 1 1 A 29 29 ALA HA H 29 3.979 3.993 -0.014 1
1 233 . 14 1 1 A 29 29 ALA C C 29 180.981 180.216 0.765 1
1 234 . 14 1 1 A 29 29 ALA CA C 29 55.545 55.402 0.143 1
1 235 . 14 1 1 A 29 29 ALA CB C 29 17.763 18.428 -0.665 1
1 236 . 14 1 1 A 29 29 ALA N N 29 120.526 120.257 0.269 1
1 237 . 14 1 1 A 30 30 GLY H H 30 7.724 7.934 -0.210 1
1 238 . 14 1 1 A 30 30 GLY HA2 H 30 3.886 3.545 0.341 1
1 239 . 14 1 1 A 30 30 GLY HA3 H 30 3.785 3.570 0.215 1
1 240 . 14 1 1 A 30 30 GLY C C 30 175.878 175.580 0.298 1
1 241 . 14 1 1 A 30 30 GLY CA C 30 46.909 47.072 -0.163 1
1 242 . 14 1 1 A 30 30 GLY N N 30 103.375 106.347 -2.972 1
1 243 . 14 1 1 A 31 31 HIS H H 31 7.499 8.269 -0.770 1
1 244 . 14 1 1 A 31 31 HIS HA H 31 4.195 4.061 0.134 1
1 249 . 14 1 1 A 31 31 HIS C C 31 176.680 176.434 0.246 1
1 250 . 14 1 1 A 31 31 HIS CA C 31 59.232 59.157 0.075 1
1 251 . 14 1 1 A 31 31 HIS CB C 31 28.775 30.061 -1.286 1
1 254 . 14 1 1 A 31 31 HIS N N 31 122.268 121.810 0.458 1
1 255 . 14 1 1 A 32 32 LEU H H 32 8.464 7.329 1.135 1
1 256 . 14 1 1 A 32 32 LEU HA H 32 3.900 4.252 -0.352 1
1 266 . 14 1 1 A 32 32 LEU C C 32 179.964 178.502 1.462 1
1 267 . 14 1 1 A 32 32 LEU CA C 32 58.183 56.425 1.758 1
1 268 . 14 1 1 A 32 32 LEU CB C 32 41.777 42.237 -0.460 1
1 272 . 14 1 1 A 32 32 LEU N N 32 118.124 118.776 -0.652 1
1 273 . 14 1 1 A 33 33 ARG H H 33 7.236 8.154 -0.918 1
1 274 . 14 1 1 A 33 33 ARG HA H 33 4.097 3.945 0.152 1
1 281 . 14 1 1 A 33 33 ARG C C 33 178.375 178.891 -0.516 1
1 282 . 14 1 1 A 33 33 ARG CA C 33 58.637 59.632 -0.995 1
1 283 . 14 1 1 A 33 33 ARG CB C 33 29.760 29.936 -0.176 1
1 286 . 14 1 1 A 33 33 ARG N N 33 117.491 119.365 -1.874 1
1 287 . 14 1 1 A 34 34 LEU H H 34 7.702 7.551 0.151 1
1 288 . 14 1 1 A 34 34 LEU HA H 34 4.031 3.977 0.054 1
1 298 . 14 1 1 A 34 34 LEU C C 34 178.952 178.982 -0.030 1
1 299 . 14 1 1 A 34 34 LEU CA C 34 56.816 57.757 -0.941 1
1 300 . 14 1 1 A 34 34 LEU CB C 34 40.886 40.842 0.044 1
1 304 . 14 1 1 A 34 34 LEU N N 34 118.773 118.233 0.540 1
1 305 . 14 1 1 A 35 35 HIS H H 35 7.172 7.747 -0.575 1
1 306 . 14 1 1 A 35 35 HIS HA H 35 4.721 4.365 0.356 1
1 311 . 14 1 1 A 35 35 HIS C C 35 175.730 176.103 -0.373 1
1 312 . 14 1 1 A 35 35 HIS CA C 35 55.788 59.369 -3.581 1
1 313 . 14 1 1 A 35 35 HIS CB C 35 28.787 29.794 -1.007 1
1 316 . 14 1 1 A 35 35 HIS N N 35 115.314 118.487 -3.173 1
1 317 . 14 1 1 A 36 36 SER H H 36 7.773 7.231 0.542 1
1 318 . 14 1 1 A 36 36 SER HA H 36 4.410 4.890 -0.480 1
1 321 . 14 1 1 A 36 36 SER C C 36 175.092 174.898 0.194 1
1 322 . 14 1 1 A 36 36 SER CA C 36 59.320 57.282 2.038 1
1 323 . 14 1 1 A 36 36 SER CB C 36 63.614 63.273 0.341 1
1 324 . 14 1 1 A 36 36 SER N N 36 114.851 111.525 3.326 1
1 325 . 14 1 1 A 37 37 ARG H H 37 8.264 7.333 0.931 1
1 326 . 14 1 1 A 37 37 ARG HA H 37 4.340 4.479 -0.139 1
1 333 . 14 1 1 A 37 37 ARG C C 37 176.804 176.938 -0.134 1
1 334 . 14 1 1 A 37 37 ARG CA C 37 56.665 57.228 -0.563 1
1 335 . 14 1 1 A 37 37 ARG CB C 37 30.544 31.647 -1.103 1
1 338 . 14 1 1 A 37 37 ARG N N 37 122.680 119.298 3.382 1
1 339 . 14 1 1 A 38 38 GLU H H 38 8.236 8.079 0.157 1
1 340 . 14 1 1 A 38 38 GLU HA H 38 4.242 4.517 -0.275 1
1 345 . 14 1 1 A 38 38 GLU C C 38 176.807 175.448 1.359 1
1 346 . 14 1 1 A 38 38 GLU CA C 38 56.861 55.519 1.342 1
1 347 . 14 1 1 A 38 38 GLU CB C 38 30.121 30.419 -0.298 1
1 349 . 14 1 1 A 38 38 GLU N N 38 120.831 118.142 2.689 1
1 350 . 14 1 1 A 39 39 LYS H H 39 8.214 7.476 0.738 1
1 351 . 14 1 1 A 39 39 LYS HA H 39 4.337 4.218 0.119 1
1 360 . 14 1 1 A 39 39 LYS C C 39 176.749 176.495 0.254 1
1 361 . 14 1 1 A 39 39 LYS CA C 39 56.498 57.486 -0.988 1
1 362 . 14 1 1 A 39 39 LYS CB C 39 32.926 32.829 0.097 1
1 366 . 14 1 1 A 39 39 LYS N N 39 121.436 121.319 0.117 1
1 367 . 14 1 1 A 40 40 SER H H 40 8.282 8.622 -0.340 1
1 368 . 14 1 1 A 40 40 SER HA H 40 4.471 4.481 -0.010 1
1 371 . 14 1 1 A 40 40 SER C C 40 174.618 174.029 0.589 1
1 372 . 14 1 1 A 40 40 SER CA C 40 58.313 57.859 0.454 1
1 373 . 14 1 1 A 40 40 SER CB C 40 63.713 64.105 -0.392 1
1 374 . 14 1 1 A 40 40 SER N N 40 116.652 119.183 -2.531 1
1 375 . 14 1 1 A 41 41 SER H H 41 8.315 8.517 -0.202 1
1 376 . 14 1 1 A 41 41 SER HA H 41 4.505 4.643 -0.138 1
1 379 . 14 1 1 A 41 41 SER C C 41 174.491 174.846 -0.355 1
1 380 . 14 1 1 A 41 41 SER CA C 41 58.298 58.739 -0.441 1
1 381 . 14 1 1 A 41 41 SER CB C 41 63.977 63.557 0.420 1
1 382 . 14 1 1 A 41 41 SER N N 41 117.808 117.705 0.103 1
1 383 . 14 1 1 A 42 42 GLY H H 42 8.209 8.762 -0.553 1
1 384 . 14 1 1 A 42 42 GLY HA2 H 42 4.137 3.943 0.194 1
1 385 . 14 1 1 A 42 42 GLY HA3 H 42 4.137 3.943 0.194 1
1 386 . 14 1 1 A 42 42 GLY C C 42 171.766 174.204 -2.438 1
1 387 . 14 1 1 A 42 42 GLY CA C 42 44.693 46.870 -2.177 1
1 388 . 14 1 1 A 42 42 GLY N N 42 110.577 112.446 -1.869 1
1 389 . 14 1 1 A 43 43 PRO HA H 43 4.477 4.796 -0.319 1
1 396 . 14 1 1 A 43 43 PRO C C 43 177.379 175.205 2.174 1
1 397 . 14 1 1 A 43 43 PRO CA C 43 63.211 62.781 0.430 1
1 398 . 14 1 1 A 43 43 PRO CB C 43 32.181 32.705 -0.524 1
1 401 . 14 1 1 A 44 44 SER H H 44 8.517 9.006 -0.489 1
1 402 . 14 1 1 A 44 44 SER C C 44 174.661 172.728 1.933 1
1 403 . 14 1 1 A 44 44 SER CA C 44 58.543 57.015 1.528 1
1 404 . 14 1 1 A 44 44 SER CB C 44 64.118 65.463 -1.345 1
1 1 . 15 1 1 A 8 8 SER HA H 8 4.438 4.597 -0.159 1
1 4 . 15 1 1 A 8 8 SER CA C 8 58.600 57.297 1.303 1
1 5 . 15 1 1 A 8 8 SER CB C 8 63.792 63.466 0.326 1
1 6 . 15 1 1 A 9 9 GLY H H 9 8.454 7.424 1.030 1
1 7 . 15 1 1 A 9 9 GLY HA2 H 9 3.938 4.123 -0.185 1
1 8 . 15 1 1 A 9 9 GLY HA3 H 9 3.938 4.134 -0.196 1
1 9 . 15 1 1 A 9 9 GLY CA C 9 45.227 44.812 0.415 1
1 10 . 15 1 1 A 9 9 GLY N N 9 110.842 109.071 1.771 1
1 11 . 15 1 1 A 10 10 GLU H H 10 8.211 8.775 -0.564 1
1 12 . 15 1 1 A 10 10 GLU HA H 10 4.206 4.554 -0.348 1
1 17 . 15 1 1 A 10 10 GLU CA C 10 56.709 55.897 0.812 1
1 18 . 15 1 1 A 10 10 GLU CB C 10 30.317 28.386 1.931 1
1 20 . 15 1 1 A 10 10 GLU N N 10 120.029 122.459 -2.430 1
1 21 . 15 1 1 A 11 11 ARG HA H 11 4.425 4.512 -0.087 1
1 28 . 15 1 1 A 11 11 ARG CA C 11 53.417 54.328 -0.911 1
1 29 . 15 1 1 A 11 11 ARG CB C 11 29.953 29.598 0.355 1
1 32 . 15 1 1 A 11 11 ARG N N 11 117.766 121.280 -3.514 1
1 33 . 15 1 1 A 12 12 PRO HA H 12 4.203 4.446 -0.243 1
1 40 . 15 1 1 A 12 12 PRO C C 12 176.483 176.518 -0.035 1
1 41 . 15 1 1 A 12 12 PRO CA C 12 63.898 65.186 -1.288 1
1 42 . 15 1 1 A 12 12 PRO CB C 12 32.127 32.288 -0.161 1
1 45 . 15 1 1 A 13 13 PHE H H 13 7.791 7.593 0.198 1
1 46 . 15 1 1 A 13 13 PHE HA H 13 4.757 5.022 -0.265 1
1 54 . 15 1 1 A 13 13 PHE C C 13 174.511 174.785 -0.274 1
1 55 . 15 1 1 A 13 13 PHE CA C 13 56.893 57.076 -0.183 1
1 56 . 15 1 1 A 13 13 PHE CB C 13 39.090 41.638 -2.548 1
1 62 . 15 1 1 A 13 13 PHE N N 13 118.173 118.163 0.010 1
1 63 . 15 1 1 A 14 14 LYS H H 14 8.611 8.663 -0.052 1
1 64 . 15 1 1 A 14 14 LYS HA H 14 5.071 4.734 0.337 1
1 73 . 15 1 1 A 14 14 LYS C C 14 175.322 174.478 0.844 1
1 74 . 15 1 1 A 14 14 LYS CA C 14 55.006 55.917 -0.911 1
1 75 . 15 1 1 A 14 14 LYS CB C 14 35.258 36.802 -1.544 1
1 79 . 15 1 1 A 14 14 LYS N N 14 124.455 120.452 4.003 1
1 80 . 15 1 1 A 15 15 CYS H H 15 9.115 8.850 0.265 1
1 81 . 15 1 1 A 15 15 CYS HA H 15 4.549 4.733 -0.184 1
1 84 . 15 1 1 A 15 15 CYS C C 15 177.457 176.063 1.394 1
1 85 . 15 1 1 A 15 15 CYS CA C 15 59.450 58.487 0.963 1
1 86 . 15 1 1 A 15 15 CYS CB C 15 29.959 29.197 0.762 1
1 87 . 15 1 1 A 15 15 CYS N N 15 125.796 124.466 1.330 1
1 88 . 15 1 1 A 16 16 ASN H H 16 9.439 9.320 0.119 1
1 89 . 15 1 1 A 16 16 ASN HA H 16 4.552 4.662 -0.110 1
1 94 . 15 1 1 A 16 16 ASN C C 16 175.327 177.062 -1.735 1
1 95 . 15 1 1 A 16 16 ASN CA C 16 55.429 54.748 0.681 1
1 96 . 15 1 1 A 16 16 ASN CB C 16 38.518 38.550 -0.032 1
1 97 . 15 1 1 A 16 16 ASN N N 16 130.041 127.516 2.525 1
1 99 . 15 1 1 A 17 17 GLU H H 17 9.013 7.593 1.420 1
1 100 . 15 1 1 A 17 17 GLU HA H 17 4.244 3.989 0.255 1
1 105 . 15 1 1 A 17 17 GLU C C 17 177.345 178.021 -0.676 1
1 106 . 15 1 1 A 17 17 GLU CA C 17 58.195 58.743 -0.548 1
1 107 . 15 1 1 A 17 17 GLU CB C 17 29.394 29.558 -0.164 1
1 109 . 15 1 1 A 17 17 GLU N N 17 121.584 118.250 3.334 1
1 110 . 15 1 1 A 18 18 CYS H H 18 8.410 7.526 0.884 1
1 111 . 15 1 1 A 18 18 CYS HA H 18 5.193 4.719 0.474 1
1 114 . 15 1 1 A 18 18 CYS C C 18 176.413 175.503 0.910 1
1 115 . 15 1 1 A 18 18 CYS CA C 18 58.391 59.625 -1.234 1
1 116 . 15 1 1 A 18 18 CYS CB C 18 32.346 29.949 2.397 1
1 117 . 15 1 1 A 18 18 CYS N N 18 116.182 114.720 1.462 1
1 118 . 15 1 1 A 19 19 GLY H H 19 8.045 8.004 0.041 1
1 119 . 15 1 1 A 19 19 GLY HA2 H 19 4.260 4.097 0.163 1
1 120 . 15 1 1 A 19 19 GLY HA3 H 19 3.829 4.105 -0.276 1
1 121 . 15 1 1 A 19 19 GLY C C 19 173.661 174.604 -0.943 1
1 122 . 15 1 1 A 19 19 GLY CA C 19 46.298 44.899 1.399 1
1 123 . 15 1 1 A 19 19 GLY N N 19 113.361 109.805 3.556 1
1 124 . 15 1 1 A 20 20 LYS H H 20 7.930 7.613 0.317 1
1 125 . 15 1 1 A 20 20 LYS HA H 20 3.967 4.296 -0.329 1
1 134 . 15 1 1 A 20 20 LYS C C 20 174.605 175.492 -0.887 1
1 135 . 15 1 1 A 20 20 LYS CA C 20 58.241 55.961 2.280 1
1 136 . 15 1 1 A 20 20 LYS CB C 20 33.836 32.342 1.494 1
1 140 . 15 1 1 A 20 20 LYS N N 20 123.055 122.474 0.581 1
1 141 . 15 1 1 A 21 21 GLY H H 21 8.013 8.673 -0.660 1
1 142 . 15 1 1 A 21 21 GLY HA2 H 21 4.880 4.257 0.623 1
1 143 . 15 1 1 A 21 21 GLY HA3 H 21 3.336 4.408 -1.072 1
1 144 . 15 1 1 A 21 21 GLY CA C 21 44.008 44.002 0.006 1
1 145 . 15 1 1 A 21 21 GLY N N 21 108.426 112.924 -4.498 1
1 146 . 15 1 1 A 22 22 PHE H H 22 8.731 8.859 -0.128 1
1 147 . 15 1 1 A 22 22 PHE HA H 22 4.731 5.071 -0.340 1
1 155 . 15 1 1 A 22 22 PHE CA C 22 57.510 56.439 1.071 1
1 156 . 15 1 1 A 22 22 PHE CB C 22 44.105 43.470 0.635 1
1 162 . 15 1 1 A 22 22 PHE N N 22 117.792 120.556 -2.764 1
1 163 . 15 1 1 A 23 23 GLY HA2 H 23 4.454 3.908 0.546 1
1 164 . 15 1 1 A 23 23 GLY HA3 H 23 4.094 3.927 0.167 1
1 165 . 15 1 1 A 23 23 GLY CA C 23 45.710 46.846 -1.136 1
1 166 . 15 1 1 A 23 23 GLY N N 23 109.000 110.249 -1.249 1
1 167 . 15 1 1 A 24 24 ARG H H 24 7.197 7.683 -0.486 1
1 168 . 15 1 1 A 24 24 ARG HA H 24 4.743 4.389 0.354 1
1 175 . 15 1 1 A 24 24 ARG CA C 24 53.655 54.322 -0.667 1
1 176 . 15 1 1 A 24 24 ARG CB C 24 33.460 31.590 1.870 1
1 179 . 15 1 1 A 24 24 ARG N N 24 114.927 120.011 -5.084 1
1 180 . 15 1 1 A 25 25 ARG HA H 25 2.980 2.698 0.282 1
1 187 . 15 1 1 A 25 25 ARG CA C 25 59.693 58.891 0.802 1
1 188 . 15 1 1 A 25 25 ARG CB C 25 29.253 30.193 -0.940 1
1 191 . 15 1 1 A 26 26 SER HA H 26 4.092 4.200 -0.108 1
1 194 . 15 1 1 A 26 26 SER C C 26 177.471 176.919 0.552 1
1 195 . 15 1 1 A 26 26 SER CA C 26 60.832 61.460 -0.628 1
1 196 . 15 1 1 A 26 26 SER CB C 26 61.616 62.521 -0.905 1
1 197 . 15 1 1 A 26 26 SER N N 26 120.568 114.097 6.471 1
1 198 . 15 1 1 A 27 27 HIS H H 27 6.799 7.647 -0.848 1
1 199 . 15 1 1 A 27 27 HIS HA H 27 4.556 4.226 0.330 1
1 204 . 15 1 1 A 27 27 HIS C C 27 178.281 177.476 0.805 1
1 205 . 15 1 1 A 27 27 HIS CA C 27 56.589 59.227 -2.638 1
1 206 . 15 1 1 A 27 27 HIS CB C 27 31.722 29.745 1.977 1
1 209 . 15 1 1 A 27 27 HIS N N 27 122.717 118.870 3.847 1
1 210 . 15 1 1 A 28 28 LEU H H 28 7.026 8.023 -0.997 1
1 211 . 15 1 1 A 28 28 LEU HA H 28 3.249 2.738 0.511 1
1 221 . 15 1 1 A 28 28 LEU C C 28 177.146 177.838 -0.692 1
1 222 . 15 1 1 A 28 28 LEU CA C 28 57.742 56.752 0.990 1
1 223 . 15 1 1 A 28 28 LEU CB C 28 40.422 42.198 -1.776 1
1 227 . 15 1 1 A 28 28 LEU N N 28 121.528 120.541 0.987 1
1 228 . 15 1 1 A 29 29 ALA H H 29 8.188 8.296 -0.108 1
1 229 . 15 1 1 A 29 29 ALA HA H 29 3.979 4.039 -0.060 1
1 233 . 15 1 1 A 29 29 ALA C C 29 180.981 180.351 0.630 1
1 234 . 15 1 1 A 29 29 ALA CA C 29 55.545 55.563 -0.018 1
1 235 . 15 1 1 A 29 29 ALA CB C 29 17.763 18.183 -0.420 1
1 236 . 15 1 1 A 29 29 ALA N N 29 120.526 120.821 -0.295 1
1 237 . 15 1 1 A 30 30 GLY H H 30 7.724 7.953 -0.229 1
1 238 . 15 1 1 A 30 30 GLY HA2 H 30 3.886 3.617 0.269 1
1 239 . 15 1 1 A 30 30 GLY HA3 H 30 3.785 3.641 0.144 1
1 240 . 15 1 1 A 30 30 GLY C C 30 175.878 175.609 0.269 1
1 241 . 15 1 1 A 30 30 GLY CA C 30 46.909 46.953 -0.044 1
1 242 . 15 1 1 A 30 30 GLY N N 30 103.375 105.902 -2.527 1
1 243 . 15 1 1 A 31 31 HIS H H 31 7.499 8.273 -0.774 1
1 244 . 15 1 1 A 31 31 HIS HA H 31 4.195 4.107 0.088 1
1 249 . 15 1 1 A 31 31 HIS C C 31 176.680 176.444 0.236 1
1 250 . 15 1 1 A 31 31 HIS CA C 31 59.232 59.139 0.093 1
1 251 . 15 1 1 A 31 31 HIS CB C 31 28.775 29.972 -1.197 1
1 254 . 15 1 1 A 31 31 HIS N N 31 122.268 121.922 0.346 1
1 255 . 15 1 1 A 32 32 LEU H H 32 8.464 7.316 1.148 1
1 256 . 15 1 1 A 32 32 LEU HA H 32 3.900 4.319 -0.419 1
1 266 . 15 1 1 A 32 32 LEU C C 32 179.964 178.327 1.637 1
1 267 . 15 1 1 A 32 32 LEU CA C 32 58.183 56.104 2.079 1
1 268 . 15 1 1 A 32 32 LEU CB C 32 41.777 42.437 -0.660 1
1 272 . 15 1 1 A 32 32 LEU N N 32 118.124 118.758 -0.634 1
1 273 . 15 1 1 A 33 33 ARG H H 33 7.236 8.041 -0.805 1
1 274 . 15 1 1 A 33 33 ARG HA H 33 4.097 4.051 0.046 1
1 281 . 15 1 1 A 33 33 ARG C C 33 178.375 178.712 -0.337 1
1 282 . 15 1 1 A 33 33 ARG CA C 33 58.637 59.432 -0.795 1
1 283 . 15 1 1 A 33 33 ARG CB C 33 29.760 29.969 -0.209 1
1 286 . 15 1 1 A 33 33 ARG N N 33 117.491 119.568 -2.077 1
1 287 . 15 1 1 A 34 34 LEU H H 34 7.702 7.553 0.149 1
1 288 . 15 1 1 A 34 34 LEU HA H 34 4.031 4.014 0.017 1
1 298 . 15 1 1 A 34 34 LEU C C 34 178.952 178.541 0.411 1
1 299 . 15 1 1 A 34 34 LEU CA C 34 56.816 57.226 -0.410 1
1 300 . 15 1 1 A 34 34 LEU CB C 34 40.886 41.144 -0.258 1
1 304 . 15 1 1 A 34 34 LEU N N 34 118.773 117.444 1.329 1
1 305 . 15 1 1 A 35 35 HIS H H 35 7.172 7.907 -0.735 1
1 306 . 15 1 1 A 35 35 HIS HA H 35 4.721 4.195 0.526 1
1 311 . 15 1 1 A 35 35 HIS C C 35 175.730 176.945 -1.215 1
1 312 . 15 1 1 A 35 35 HIS CA C 35 55.788 60.264 -4.476 1
1 313 . 15 1 1 A 35 35 HIS CB C 35 28.787 29.202 -0.415 1
1 316 . 15 1 1 A 35 35 HIS N N 35 115.314 118.495 -3.181 1
1 317 . 15 1 1 A 36 36 SER H H 36 7.773 7.327 0.446 1
1 318 . 15 1 1 A 36 36 SER HA H 36 4.410 4.324 0.086 1
1 321 . 15 1 1 A 36 36 SER C C 36 175.092 174.982 0.110 1
1 322 . 15 1 1 A 36 36 SER CA C 36 59.320 61.125 -1.805 1
1 323 . 15 1 1 A 36 36 SER CB C 36 63.614 63.382 0.232 1
1 324 . 15 1 1 A 36 36 SER N N 36 114.851 113.544 1.307 1
1 325 . 15 1 1 A 37 37 ARG H H 37 8.264 7.062 1.202 1
1 326 . 15 1 1 A 37 37 ARG HA H 37 4.340 4.209 0.131 1
1 333 . 15 1 1 A 37 37 ARG C C 37 176.804 176.453 0.351 1
1 334 . 15 1 1 A 37 37 ARG CA C 37 56.665 56.627 0.038 1
1 335 . 15 1 1 A 37 37 ARG CB C 37 30.544 30.076 0.468 1
1 338 . 15 1 1 A 37 37 ARG N N 37 122.680 119.205 3.475 1
1 339 . 15 1 1 A 38 38 GLU H H 38 8.236 8.982 -0.746 1
1 340 . 15 1 1 A 38 38 GLU HA H 38 4.242 3.946 0.296 1
1 345 . 15 1 1 A 38 38 GLU C C 38 176.807 176.024 0.783 1
1 346 . 15 1 1 A 38 38 GLU CA C 38 56.861 57.484 -0.623 1
1 347 . 15 1 1 A 38 38 GLU CB C 38 30.121 28.741 1.380 1
1 349 . 15 1 1 A 38 38 GLU N N 38 120.831 120.396 0.435 1
1 350 . 15 1 1 A 39 39 LYS H H 39 8.214 7.844 0.370 1
1 351 . 15 1 1 A 39 39 LYS HA H 39 4.337 4.413 -0.076 1
1 360 . 15 1 1 A 39 39 LYS C C 39 176.749 175.835 0.914 1
1 361 . 15 1 1 A 39 39 LYS CA C 39 56.498 55.976 0.522 1
1 362 . 15 1 1 A 39 39 LYS CB C 39 32.926 34.066 -1.140 1
1 366 . 15 1 1 A 39 39 LYS N N 39 121.436 120.820 0.616 1
1 367 . 15 1 1 A 40 40 SER H H 40 8.282 8.659 -0.377 1
1 368 . 15 1 1 A 40 40 SER HA H 40 4.471 4.376 0.095 1
1 371 . 15 1 1 A 40 40 SER C C 40 174.618 174.319 0.299 1
1 372 . 15 1 1 A 40 40 SER CA C 40 58.313 58.505 -0.192 1
1 373 . 15 1 1 A 40 40 SER CB C 40 63.713 63.309 0.404 1
1 374 . 15 1 1 A 40 40 SER N N 40 116.652 120.638 -3.986 1
1 375 . 15 1 1 A 41 41 SER H H 41 8.315 8.654 -0.339 1
1 376 . 15 1 1 A 41 41 SER HA H 41 4.505 4.397 0.108 1
1 379 . 15 1 1 A 41 41 SER C C 41 174.491 174.118 0.373 1
1 380 . 15 1 1 A 41 41 SER CA C 41 58.298 59.482 -1.184 1
1 381 . 15 1 1 A 41 41 SER CB C 41 63.977 63.176 0.801 1
1 382 . 15 1 1 A 41 41 SER N N 41 117.808 123.169 -5.361 1
1 383 . 15 1 1 A 42 42 GLY H H 42 8.209 8.271 -0.062 1
1 384 . 15 1 1 A 42 42 GLY HA2 H 42 4.137 4.181 -0.044 1
1 385 . 15 1 1 A 42 42 GLY HA3 H 42 4.137 4.181 -0.044 1
1 386 . 15 1 1 A 42 42 GLY C C 42 171.766 171.735 0.031 1
1 387 . 15 1 1 A 42 42 GLY CA C 42 44.693 45.371 -0.678 1
1 388 . 15 1 1 A 42 42 GLY N N 42 110.577 113.078 -2.501 1
1 389 . 15 1 1 A 43 43 PRO HA H 43 4.477 4.736 -0.259 1
1 396 . 15 1 1 A 43 43 PRO C C 43 177.379 175.063 2.316 1
1 397 . 15 1 1 A 43 43 PRO CA C 43 63.211 62.319 0.892 1
1 398 . 15 1 1 A 43 43 PRO CB C 43 32.181 29.557 2.624 1
1 401 . 15 1 1 A 44 44 SER H H 44 8.517 8.278 0.239 1
1 402 . 15 1 1 A 44 44 SER C C 44 174.661 173.327 1.334 1
1 403 . 15 1 1 A 44 44 SER CA C 44 58.543 56.958 1.585 1
1 404 . 15 1 1 A 44 44 SER CB C 44 64.118 64.278 -0.160 1
1 1 . 16 1 1 A 8 8 SER HA H 8 4.438 4.201 0.237 1
1 4 . 16 1 1 A 8 8 SER CA C 8 58.600 61.310 -2.710 1
1 5 . 16 1 1 A 8 8 SER CB C 8 63.792 63.355 0.437 1
1 6 . 16 1 1 A 9 9 GLY H H 9 8.454 7.699 0.755 1
1 7 . 16 1 1 A 9 9 GLY HA2 H 9 3.938 4.039 -0.101 1
1 8 . 16 1 1 A 9 9 GLY HA3 H 9 3.938 4.042 -0.104 1
1 9 . 16 1 1 A 9 9 GLY CA C 9 45.227 45.387 -0.160 1
1 10 . 16 1 1 A 9 9 GLY N N 9 110.842 107.338 3.504 1
1 11 . 16 1 1 A 10 10 GLU H H 10 8.211 8.466 -0.255 1
1 12 . 16 1 1 A 10 10 GLU HA H 10 4.206 3.852 0.354 1
1 17 . 16 1 1 A 10 10 GLU CA C 10 56.709 57.499 -0.790 1
1 18 . 16 1 1 A 10 10 GLU CB C 10 30.317 27.839 2.478 1
1 20 . 16 1 1 A 10 10 GLU N N 10 120.029 111.257 8.772 1
1 21 . 16 1 1 A 11 11 ARG HA H 11 4.425 4.454 -0.029 1
1 28 . 16 1 1 A 11 11 ARG CA C 11 53.417 54.746 -1.329 1
1 29 . 16 1 1 A 11 11 ARG CB C 11 29.953 29.595 0.358 1
1 32 . 16 1 1 A 11 11 ARG N N 11 117.766 120.626 -2.860 1
1 33 . 16 1 1 A 12 12 PRO HA H 12 4.203 4.413 -0.210 1
1 40 . 16 1 1 A 12 12 PRO C C 12 176.483 176.312 0.171 1
1 41 . 16 1 1 A 12 12 PRO CA C 12 63.898 64.867 -0.969 1
1 42 . 16 1 1 A 12 12 PRO CB C 12 32.127 32.445 -0.318 1
1 45 . 16 1 1 A 13 13 PHE H H 13 7.791 7.336 0.455 1
1 46 . 16 1 1 A 13 13 PHE HA H 13 4.757 5.344 -0.587 1
1 54 . 16 1 1 A 13 13 PHE C C 13 174.511 174.354 0.157 1
1 55 . 16 1 1 A 13 13 PHE CA C 13 56.893 56.331 0.562 1
1 56 . 16 1 1 A 13 13 PHE CB C 13 39.090 42.886 -3.796 1
1 62 . 16 1 1 A 13 13 PHE N N 13 118.173 118.119 0.054 1
1 63 . 16 1 1 A 14 14 LYS H H 14 8.611 8.740 -0.129 1
1 64 . 16 1 1 A 14 14 LYS HA H 14 5.071 5.047 0.024 1
1 73 . 16 1 1 A 14 14 LYS C C 14 175.322 174.421 0.901 1
1 74 . 16 1 1 A 14 14 LYS CA C 14 55.006 55.844 -0.838 1
1 75 . 16 1 1 A 14 14 LYS CB C 14 35.258 36.734 -1.476 1
1 79 . 16 1 1 A 14 14 LYS N N 14 124.455 120.177 4.278 1
1 80 . 16 1 1 A 15 15 CYS H H 15 9.115 9.208 -0.093 1
1 81 . 16 1 1 A 15 15 CYS HA H 15 4.549 4.741 -0.192 1
1 84 . 16 1 1 A 15 15 CYS C C 15 177.457 176.097 1.360 1
1 85 . 16 1 1 A 15 15 CYS CA C 15 59.450 58.408 1.042 1
1 86 . 16 1 1 A 15 15 CYS CB C 15 29.959 29.082 0.877 1
1 87 . 16 1 1 A 15 15 CYS N N 15 125.796 124.011 1.785 1
1 88 . 16 1 1 A 16 16 ASN H H 16 9.439 9.163 0.276 1
1 89 . 16 1 1 A 16 16 ASN HA H 16 4.552 4.921 -0.369 1
1 94 . 16 1 1 A 16 16 ASN C C 16 175.327 175.454 -0.127 1
1 95 . 16 1 1 A 16 16 ASN CA C 16 55.429 53.641 1.788 1
1 96 . 16 1 1 A 16 16 ASN CB C 16 38.518 38.824 -0.306 1
1 97 . 16 1 1 A 16 16 ASN N N 16 130.041 126.546 3.495 1
1 99 . 16 1 1 A 17 17 GLU H H 17 9.013 7.505 1.508 1
1 100 . 16 1 1 A 17 17 GLU HA H 17 4.244 4.422 -0.178 1
1 105 . 16 1 1 A 17 17 GLU C C 17 177.345 178.075 -0.730 1
1 106 . 16 1 1 A 17 17 GLU CA C 17 58.195 57.303 0.892 1
1 107 . 16 1 1 A 17 17 GLU CB C 17 29.394 30.887 -1.493 1
1 109 . 16 1 1 A 17 17 GLU N N 17 121.584 117.957 3.627 1
1 110 . 16 1 1 A 18 18 CYS H H 18 8.410 8.176 0.234 1
1 111 . 16 1 1 A 18 18 CYS HA H 18 5.193 4.683 0.510 1
1 114 . 16 1 1 A 18 18 CYS C C 18 176.413 175.326 1.087 1
1 115 . 16 1 1 A 18 18 CYS CA C 18 58.391 59.720 -1.329 1
1 116 . 16 1 1 A 18 18 CYS CB C 18 32.346 29.916 2.430 1
1 117 . 16 1 1 A 18 18 CYS N N 18 116.182 114.876 1.306 1
1 118 . 16 1 1 A 19 19 GLY H H 19 8.045 8.000 0.045 1
1 119 . 16 1 1 A 19 19 GLY HA2 H 19 4.260 4.103 0.157 1
1 120 . 16 1 1 A 19 19 GLY HA3 H 19 3.829 4.109 -0.280 1
1 121 . 16 1 1 A 19 19 GLY C C 19 173.661 174.578 -0.917 1
1 122 . 16 1 1 A 19 19 GLY CA C 19 46.298 44.992 1.306 1
1 123 . 16 1 1 A 19 19 GLY N N 19 113.361 109.823 3.538 1
1 124 . 16 1 1 A 20 20 LYS H H 20 7.930 7.973 -0.043 1
1 125 . 16 1 1 A 20 20 LYS HA H 20 3.967 4.331 -0.364 1
1 134 . 16 1 1 A 20 20 LYS C C 20 174.605 175.940 -1.335 1
1 135 . 16 1 1 A 20 20 LYS CA C 20 58.241 55.847 2.394 1
1 136 . 16 1 1 A 20 20 LYS CB C 20 33.836 33.623 0.213 1
1 140 . 16 1 1 A 20 20 LYS N N 20 123.055 121.909 1.146 1
1 141 . 16 1 1 A 21 21 GLY H H 21 8.013 8.172 -0.159 1
1 142 . 16 1 1 A 21 21 GLY HA2 H 21 4.880 4.324 0.556 1
1 143 . 16 1 1 A 21 21 GLY HA3 H 21 3.336 4.467 -1.131 1
1 144 . 16 1 1 A 21 21 GLY CA C 21 44.008 44.266 -0.258 1
1 145 . 16 1 1 A 21 21 GLY N N 21 108.426 110.458 -2.032 1
1 146 . 16 1 1 A 22 22 PHE H H 22 8.731 9.080 -0.349 1
1 147 . 16 1 1 A 22 22 PHE HA H 22 4.731 5.135 -0.404 1
1 155 . 16 1 1 A 22 22 PHE CA C 22 57.510 56.541 0.969 1
1 156 . 16 1 1 A 22 22 PHE CB C 22 44.105 43.747 0.358 1
1 162 . 16 1 1 A 22 22 PHE N N 22 117.792 121.005 -3.213 1
1 163 . 16 1 1 A 23 23 GLY HA2 H 23 4.454 3.929 0.525 1
1 164 . 16 1 1 A 23 23 GLY HA3 H 23 4.094 3.991 0.103 1
1 165 . 16 1 1 A 23 23 GLY CA C 23 45.710 46.412 -0.702 1
1 166 . 16 1 1 A 23 23 GLY N N 23 109.000 110.698 -1.698 1
1 167 . 16 1 1 A 24 24 ARG H H 24 7.197 7.579 -0.382 1
1 168 . 16 1 1 A 24 24 ARG HA H 24 4.743 4.475 0.268 1
1 175 . 16 1 1 A 24 24 ARG CA C 24 53.655 54.285 -0.630 1
1 176 . 16 1 1 A 24 24 ARG CB C 24 33.460 32.303 1.157 1
1 179 . 16 1 1 A 24 24 ARG N N 24 114.927 120.215 -5.288 1
1 180 . 16 1 1 A 25 25 ARG HA H 25 2.980 2.798 0.182 1
1 187 . 16 1 1 A 25 25 ARG CA C 25 59.693 59.442 0.251 1
1 188 . 16 1 1 A 25 25 ARG CB C 25 29.253 29.760 -0.507 1
1 191 . 16 1 1 A 26 26 SER HA H 26 4.092 4.210 -0.118 1
1 194 . 16 1 1 A 26 26 SER C C 26 177.471 177.254 0.217 1
1 195 . 16 1 1 A 26 26 SER CA C 26 60.832 60.740 0.092 1
1 196 . 16 1 1 A 26 26 SER CB C 26 61.616 63.114 -1.498 1
1 197 . 16 1 1 A 26 26 SER N N 26 120.568 113.963 6.605 1
1 198 . 16 1 1 A 27 27 HIS H H 27 6.799 7.695 -0.896 1
1 199 . 16 1 1 A 27 27 HIS HA H 27 4.556 4.260 0.296 1
1 204 . 16 1 1 A 27 27 HIS C C 27 178.281 177.643 0.638 1
1 205 . 16 1 1 A 27 27 HIS CA C 27 56.589 59.244 -2.655 1
1 206 . 16 1 1 A 27 27 HIS CB C 27 31.722 29.888 1.834 1
1 209 . 16 1 1 A 27 27 HIS N N 27 122.717 119.111 3.606 1
1 210 . 16 1 1 A 28 28 LEU H H 28 7.026 7.636 -0.610 1
1 211 . 16 1 1 A 28 28 LEU HA H 28 3.249 2.515 0.734 1
1 221 . 16 1 1 A 28 28 LEU C C 28 177.146 177.918 -0.772 1
1 222 . 16 1 1 A 28 28 LEU CA C 28 57.742 56.932 0.810 1
1 223 . 16 1 1 A 28 28 LEU CB C 28 40.422 41.459 -1.037 1
1 227 . 16 1 1 A 28 28 LEU N N 28 121.528 120.633 0.895 1
1 228 . 16 1 1 A 29 29 ALA H H 29 8.188 8.412 -0.224 1
1 229 . 16 1 1 A 29 29 ALA HA H 29 3.979 3.987 -0.008 1
1 233 . 16 1 1 A 29 29 ALA C C 29 180.981 180.315 0.666 1
1 234 . 16 1 1 A 29 29 ALA CA C 29 55.545 55.508 0.037 1
1 235 . 16 1 1 A 29 29 ALA CB C 29 17.763 18.171 -0.408 1
1 236 . 16 1 1 A 29 29 ALA N N 29 120.526 120.651 -0.125 1
1 237 . 16 1 1 A 30 30 GLY H H 30 7.724 7.895 -0.171 1
1 238 . 16 1 1 A 30 30 GLY HA2 H 30 3.886 3.580 0.306 1
1 239 . 16 1 1 A 30 30 GLY HA3 H 30 3.785 3.604 0.181 1
1 240 . 16 1 1 A 30 30 GLY C C 30 175.878 175.639 0.239 1
1 241 . 16 1 1 A 30 30 GLY CA C 30 46.909 47.066 -0.157 1
1 242 . 16 1 1 A 30 30 GLY N N 30 103.375 105.762 -2.387 1
1 243 . 16 1 1 A 31 31 HIS H H 31 7.499 8.197 -0.698 1
1 244 . 16 1 1 A 31 31 HIS HA H 31 4.195 4.082 0.113 1
1 249 . 16 1 1 A 31 31 HIS C C 31 176.680 176.409 0.271 1
1 250 . 16 1 1 A 31 31 HIS CA C 31 59.232 59.084 0.148 1
1 251 . 16 1 1 A 31 31 HIS CB C 31 28.775 29.925 -1.150 1
1 254 . 16 1 1 A 31 31 HIS N N 31 122.268 121.752 0.516 1
1 255 . 16 1 1 A 32 32 LEU H H 32 8.464 7.265 1.199 1
1 256 . 16 1 1 A 32 32 LEU HA H 32 3.900 4.303 -0.403 1
1 266 . 16 1 1 A 32 32 LEU C C 32 179.964 178.433 1.531 1
1 267 . 16 1 1 A 32 32 LEU CA C 32 58.183 55.961 2.222 1
1 268 . 16 1 1 A 32 32 LEU CB C 32 41.777 42.416 -0.639 1
1 272 . 16 1 1 A 32 32 LEU N N 32 118.124 118.746 -0.622 1
1 273 . 16 1 1 A 33 33 ARG H H 33 7.236 7.904 -0.668 1
1 274 . 16 1 1 A 33 33 ARG HA H 33 4.097 4.060 0.037 1
1 281 . 16 1 1 A 33 33 ARG C C 33 178.375 178.618 -0.243 1
1 282 . 16 1 1 A 33 33 ARG CA C 33 58.637 59.218 -0.581 1
1 283 . 16 1 1 A 33 33 ARG CB C 33 29.760 30.094 -0.334 1
1 286 . 16 1 1 A 33 33 ARG N N 33 117.491 119.434 -1.943 1
1 287 . 16 1 1 A 34 34 LEU H H 34 7.702 7.637 0.065 1
1 288 . 16 1 1 A 34 34 LEU HA H 34 4.031 4.027 0.004 1
1 298 . 16 1 1 A 34 34 LEU C C 34 178.952 178.067 0.885 1
1 299 . 16 1 1 A 34 34 LEU CA C 34 56.816 57.178 -0.362 1
1 300 . 16 1 1 A 34 34 LEU CB C 34 40.886 41.030 -0.144 1
1 304 . 16 1 1 A 34 34 LEU N N 34 118.773 116.973 1.800 1
1 305 . 16 1 1 A 35 35 HIS H H 35 7.172 7.899 -0.727 1
1 306 . 16 1 1 A 35 35 HIS HA H 35 4.721 4.227 0.494 1
1 311 . 16 1 1 A 35 35 HIS C C 35 175.730 177.616 -1.886 1
1 312 . 16 1 1 A 35 35 HIS CA C 35 55.788 60.056 -4.268 1
1 313 . 16 1 1 A 35 35 HIS CB C 35 28.787 29.380 -0.593 1
1 316 . 16 1 1 A 35 35 HIS N N 35 115.314 118.386 -3.072 1
1 317 . 16 1 1 A 36 36 SER H H 36 7.773 7.871 -0.098 1
1 318 . 16 1 1 A 36 36 SER HA H 36 4.410 4.101 0.309 1
1 321 . 16 1 1 A 36 36 SER C C 36 175.092 175.678 -0.586 1
1 322 . 16 1 1 A 36 36 SER CA C 36 59.320 61.709 -2.389 1
1 323 . 16 1 1 A 36 36 SER CB C 36 63.614 63.341 0.273 1
1 324 . 16 1 1 A 36 36 SER N N 36 114.851 116.466 -1.615 1
1 325 . 16 1 1 A 37 37 ARG H H 37 8.264 7.663 0.601 1
1 326 . 16 1 1 A 37 37 ARG HA H 37 4.340 4.117 0.223 1
1 333 . 16 1 1 A 37 37 ARG C C 37 176.804 176.588 0.216 1
1 334 . 16 1 1 A 37 37 ARG CA C 37 56.665 58.959 -2.294 1
1 335 . 16 1 1 A 37 37 ARG CB C 37 30.544 29.836 0.708 1
1 338 . 16 1 1 A 37 37 ARG N N 37 122.680 120.206 2.474 1
1 339 . 16 1 1 A 38 38 GLU H H 38 8.236 7.878 0.358 1
1 340 . 16 1 1 A 38 38 GLU HA H 38 4.242 4.535 -0.293 1
1 345 . 16 1 1 A 38 38 GLU C C 38 176.807 176.380 0.427 1
1 346 . 16 1 1 A 38 38 GLU CA C 38 56.861 54.890 1.971 1
1 347 . 16 1 1 A 38 38 GLU CB C 38 30.121 30.126 -0.005 1
1 349 . 16 1 1 A 38 38 GLU N N 38 120.831 119.131 1.700 1
1 350 . 16 1 1 A 39 39 LYS H H 39 8.214 7.890 0.324 1
1 351 . 16 1 1 A 39 39 LYS HA H 39 4.337 4.629 -0.292 1
1 360 . 16 1 1 A 39 39 LYS C C 39 176.749 178.665 -1.916 1
1 361 . 16 1 1 A 39 39 LYS CA C 39 56.498 56.997 -0.499 1
1 362 . 16 1 1 A 39 39 LYS CB C 39 32.926 34.135 -1.209 1
1 366 . 16 1 1 A 39 39 LYS N N 39 121.436 123.055 -1.619 1
1 367 . 16 1 1 A 40 40 SER H H 40 8.282 8.267 0.015 1
1 368 . 16 1 1 A 40 40 SER HA H 40 4.471 4.046 0.425 1
1 371 . 16 1 1 A 40 40 SER C C 40 174.618 177.352 -2.734 1
1 372 . 16 1 1 A 40 40 SER CA C 40 58.313 61.799 -3.486 1
1 373 . 16 1 1 A 40 40 SER CB C 40 63.713 63.005 0.708 1
1 374 . 16 1 1 A 40 40 SER N N 40 116.652 116.149 0.503 1
1 375 . 16 1 1 A 41 41 SER H H 41 8.315 7.781 0.534 1
1 376 . 16 1 1 A 41 41 SER HA H 41 4.505 4.289 0.216 1
1 379 . 16 1 1 A 41 41 SER C C 41 174.491 174.903 -0.412 1
1 380 . 16 1 1 A 41 41 SER CA C 41 58.298 61.805 -3.507 1
1 381 . 16 1 1 A 41 41 SER CB C 41 63.977 62.818 1.159 1
1 382 . 16 1 1 A 41 41 SER N N 41 117.808 115.829 1.979 1
1 383 . 16 1 1 A 42 42 GLY H H 42 8.209 8.056 0.153 1
1 384 . 16 1 1 A 42 42 GLY HA2 H 42 4.137 3.898 0.239 1
1 385 . 16 1 1 A 42 42 GLY HA3 H 42 4.137 3.904 0.233 1
1 386 . 16 1 1 A 42 42 GLY C C 42 171.766 174.186 -2.420 1
1 387 . 16 1 1 A 42 42 GLY CA C 42 44.693 47.067 -2.374 1
1 388 . 16 1 1 A 42 42 GLY N N 42 110.577 109.363 1.214 1
1 389 . 16 1 1 A 43 43 PRO HA H 43 4.477 4.449 0.028 1
1 396 . 16 1 1 A 43 43 PRO C C 43 177.379 176.872 0.507 1
1 397 . 16 1 1 A 43 43 PRO CA C 43 63.211 63.278 -0.067 1
1 398 . 16 1 1 A 43 43 PRO CB C 43 32.181 32.291 -0.110 1
1 401 . 16 1 1 A 44 44 SER H H 44 8.517 8.635 -0.118 1
1 402 . 16 1 1 A 44 44 SER C C 44 174.661 173.553 1.108 1
1 403 . 16 1 1 A 44 44 SER CA C 44 58.543 58.824 -0.281 1
1 404 . 16 1 1 A 44 44 SER CB C 44 64.118 61.786 2.332 1
1 1 . 17 1 1 A 8 8 SER HA H 8 4.438 4.963 -0.525 1
1 4 . 17 1 1 A 8 8 SER CA C 8 58.600 56.600 2.000 1
1 5 . 17 1 1 A 8 8 SER CB C 8 63.792 64.671 -0.879 1
1 6 . 17 1 1 A 9 9 GLY H H 9 8.454 8.407 0.047 1
1 7 . 17 1 1 A 9 9 GLY HA2 H 9 3.938 4.121 -0.183 1
1 8 . 17 1 1 A 9 9 GLY HA3 H 9 3.938 4.128 -0.190 1
1 9 . 17 1 1 A 9 9 GLY CA C 9 45.227 45.953 -0.726 1
1 10 . 17 1 1 A 9 9 GLY N N 9 110.842 113.717 -2.875 1
1 11 . 17 1 1 A 10 10 GLU H H 10 8.211 8.745 -0.534 1
1 12 . 17 1 1 A 10 10 GLU HA H 10 4.206 4.998 -0.792 1
1 17 . 17 1 1 A 10 10 GLU CA C 10 56.709 55.315 1.394 1
1 18 . 17 1 1 A 10 10 GLU CB C 10 30.317 31.477 -1.160 1
1 20 . 17 1 1 A 10 10 GLU N N 10 120.029 123.685 -3.656 1
1 21 . 17 1 1 A 11 11 ARG HA H 11 4.425 4.862 -0.437 1
1 28 . 17 1 1 A 11 11 ARG CA C 11 53.417 53.108 0.309 1
1 29 . 17 1 1 A 11 11 ARG CB C 11 29.953 31.041 -1.088 1
1 32 . 17 1 1 A 11 11 ARG N N 11 117.766 125.261 -7.495 1
1 33 . 17 1 1 A 12 12 PRO HA H 12 4.203 4.418 -0.215 1
1 40 . 17 1 1 A 12 12 PRO C C 12 176.483 176.379 0.104 1
1 41 . 17 1 1 A 12 12 PRO CA C 12 63.898 65.060 -1.162 1
1 42 . 17 1 1 A 12 12 PRO CB C 12 32.127 32.346 -0.219 1
1 45 . 17 1 1 A 13 13 PHE H H 13 7.791 7.516 0.275 1
1 46 . 17 1 1 A 13 13 PHE HA H 13 4.757 5.298 -0.541 1
1 54 . 17 1 1 A 13 13 PHE C C 13 174.511 174.426 0.085 1
1 55 . 17 1 1 A 13 13 PHE CA C 13 56.893 56.296 0.597 1
1 56 . 17 1 1 A 13 13 PHE CB C 13 39.090 42.591 -3.501 1
1 62 . 17 1 1 A 13 13 PHE N N 13 118.173 118.076 0.097 1
1 63 . 17 1 1 A 14 14 LYS H H 14 8.611 8.848 -0.237 1
1 64 . 17 1 1 A 14 14 LYS HA H 14 5.071 4.845 0.226 1
1 73 . 17 1 1 A 14 14 LYS C C 14 175.322 174.054 1.268 1
1 74 . 17 1 1 A 14 14 LYS CA C 14 55.006 55.671 -0.665 1
1 75 . 17 1 1 A 14 14 LYS CB C 14 35.258 36.812 -1.554 1
1 79 . 17 1 1 A 14 14 LYS N N 14 124.455 120.252 4.203 1
1 80 . 17 1 1 A 15 15 CYS H H 15 9.115 9.233 -0.118 1
1 81 . 17 1 1 A 15 15 CYS HA H 15 4.549 5.023 -0.474 1
1 84 . 17 1 1 A 15 15 CYS C C 15 177.457 175.237 2.220 1
1 85 . 17 1 1 A 15 15 CYS CA C 15 59.450 57.637 1.813 1
1 86 . 17 1 1 A 15 15 CYS CB C 15 29.959 30.206 -0.247 1
1 87 . 17 1 1 A 15 15 CYS N N 15 125.796 124.276 1.520 1
1 88 . 17 1 1 A 16 16 ASN H H 16 9.439 9.141 0.298 1
1 89 . 17 1 1 A 16 16 ASN HA H 16 4.552 4.667 -0.115 1
1 94 . 17 1 1 A 16 16 ASN C C 16 175.327 177.484 -2.157 1
1 95 . 17 1 1 A 16 16 ASN CA C 16 55.429 54.917 0.512 1
1 96 . 17 1 1 A 16 16 ASN CB C 16 38.518 38.664 -0.146 1
1 97 . 17 1 1 A 16 16 ASN N N 16 130.041 126.227 3.814 1
1 99 . 17 1 1 A 17 17 GLU H H 17 9.013 7.891 1.122 1
1 100 . 17 1 1 A 17 17 GLU HA H 17 4.244 3.966 0.278 1
1 105 . 17 1 1 A 17 17 GLU C C 17 177.345 178.222 -0.877 1
1 106 . 17 1 1 A 17 17 GLU CA C 17 58.195 58.837 -0.642 1
1 107 . 17 1 1 A 17 17 GLU CB C 17 29.394 28.568 0.826 1
1 109 . 17 1 1 A 17 17 GLU N N 17 121.584 120.328 1.256 1
1 110 . 17 1 1 A 18 18 CYS H H 18 8.410 7.517 0.893 1
1 111 . 17 1 1 A 18 18 CYS HA H 18 5.193 4.720 0.473 1
1 114 . 17 1 1 A 18 18 CYS C C 18 176.413 175.523 0.890 1
1 115 . 17 1 1 A 18 18 CYS CA C 18 58.391 59.768 -1.377 1
1 116 . 17 1 1 A 18 18 CYS CB C 18 32.346 30.006 2.340 1
1 117 . 17 1 1 A 18 18 CYS N N 18 116.182 115.011 1.171 1
1 118 . 17 1 1 A 19 19 GLY H H 19 8.045 8.025 0.020 1
1 119 . 17 1 1 A 19 19 GLY HA2 H 19 4.260 4.107 0.153 1
1 120 . 17 1 1 A 19 19 GLY HA3 H 19 3.829 4.118 -0.289 1
1 121 . 17 1 1 A 19 19 GLY C C 19 173.661 174.432 -0.771 1
1 122 . 17 1 1 A 19 19 GLY CA C 19 46.298 45.026 1.272 1
1 123 . 17 1 1 A 19 19 GLY N N 19 113.361 109.820 3.541 1
1 124 . 17 1 1 A 20 20 LYS H H 20 7.930 7.560 0.370 1
1 125 . 17 1 1 A 20 20 LYS HA H 20 3.967 4.402 -0.435 1
1 134 . 17 1 1 A 20 20 LYS C C 20 174.605 175.624 -1.019 1
1 135 . 17 1 1 A 20 20 LYS CA C 20 58.241 55.559 2.682 1
1 136 . 17 1 1 A 20 20 LYS CB C 20 33.836 33.497 0.339 1
1 140 . 17 1 1 A 20 20 LYS N N 20 123.055 121.951 1.104 1
1 141 . 17 1 1 A 21 21 GLY H H 21 8.013 8.405 -0.392 1
1 142 . 17 1 1 A 21 21 GLY HA2 H 21 4.880 4.233 0.647 1
1 143 . 17 1 1 A 21 21 GLY HA3 H 21 3.336 4.363 -1.027 1
1 144 . 17 1 1 A 21 21 GLY CA C 21 44.008 43.913 0.095 1
1 145 . 17 1 1 A 21 21 GLY N N 21 108.426 112.102 -3.676 1
1 146 . 17 1 1 A 22 22 PHE H H 22 8.731 8.794 -0.063 1
1 147 . 17 1 1 A 22 22 PHE HA H 22 4.731 5.157 -0.426 1
1 155 . 17 1 1 A 22 22 PHE CA C 22 57.510 56.501 1.009 1
1 156 . 17 1 1 A 22 22 PHE CB C 22 44.105 43.679 0.426 1
1 162 . 17 1 1 A 22 22 PHE N N 22 117.792 119.726 -1.934 1
1 163 . 17 1 1 A 23 23 GLY HA2 H 23 4.454 3.965 0.489 1
1 164 . 17 1 1 A 23 23 GLY HA3 H 23 4.094 3.987 0.107 1
1 165 . 17 1 1 A 23 23 GLY CA C 23 45.710 46.812 -1.102 1
1 166 . 17 1 1 A 23 23 GLY N N 23 109.000 110.354 -1.354 1
1 167 . 17 1 1 A 24 24 ARG H H 24 7.197 7.797 -0.600 1
1 168 . 17 1 1 A 24 24 ARG HA H 24 4.743 4.507 0.236 1
1 175 . 17 1 1 A 24 24 ARG CA C 24 53.655 54.552 -0.897 1
1 176 . 17 1 1 A 24 24 ARG CB C 24 33.460 31.405 2.055 1
1 179 . 17 1 1 A 24 24 ARG N N 24 114.927 119.802 -4.875 1
1 180 . 17 1 1 A 25 25 ARG HA H 25 2.980 2.803 0.177 1
1 187 . 17 1 1 A 25 25 ARG CA C 25 59.693 59.211 0.482 1
1 188 . 17 1 1 A 25 25 ARG CB C 25 29.253 29.917 -0.664 1
1 191 . 17 1 1 A 26 26 SER HA H 26 4.092 4.135 -0.043 1
1 194 . 17 1 1 A 26 26 SER C C 26 177.471 177.058 0.413 1
1 195 . 17 1 1 A 26 26 SER CA C 26 60.832 61.225 -0.393 1
1 196 . 17 1 1 A 26 26 SER CB C 26 61.616 62.397 -0.781 1
1 197 . 17 1 1 A 26 26 SER N N 26 120.568 114.472 6.096 1
1 198 . 17 1 1 A 27 27 HIS H H 27 6.799 7.586 -0.787 1
1 199 . 17 1 1 A 27 27 HIS HA H 27 4.556 4.205 0.351 1
1 204 . 17 1 1 A 27 27 HIS C C 27 178.281 177.601 0.680 1
1 205 . 17 1 1 A 27 27 HIS CA C 27 56.589 59.167 -2.578 1
1 206 . 17 1 1 A 27 27 HIS CB C 27 31.722 29.901 1.821 1
1 209 . 17 1 1 A 27 27 HIS N N 27 122.717 119.064 3.653 1
1 210 . 17 1 1 A 28 28 LEU H H 28 7.026 7.814 -0.788 1
1 211 . 17 1 1 A 28 28 LEU HA H 28 3.249 2.737 0.512 1
1 221 . 17 1 1 A 28 28 LEU C C 28 177.146 177.725 -0.579 1
1 222 . 17 1 1 A 28 28 LEU CA C 28 57.742 57.081 0.661 1
1 223 . 17 1 1 A 28 28 LEU CB C 28 40.422 41.650 -1.228 1
1 227 . 17 1 1 A 28 28 LEU N N 28 121.528 120.500 1.028 1
1 228 . 17 1 1 A 29 29 ALA H H 29 8.188 8.361 -0.173 1
1 229 . 17 1 1 A 29 29 ALA HA H 29 3.979 4.019 -0.040 1
1 233 . 17 1 1 A 29 29 ALA C C 29 180.981 180.329 0.652 1
1 234 . 17 1 1 A 29 29 ALA CA C 29 55.545 55.452 0.093 1
1 235 . 17 1 1 A 29 29 ALA CB C 29 17.763 18.360 -0.597 1
1 236 . 17 1 1 A 29 29 ALA N N 29 120.526 120.376 0.150 1
1 237 . 17 1 1 A 30 30 GLY H H 30 7.724 7.956 -0.232 1
1 238 . 17 1 1 A 30 30 GLY HA2 H 30 3.886 3.572 0.314 1
1 239 . 17 1 1 A 30 30 GLY HA3 H 30 3.785 3.595 0.190 1
1 240 . 17 1 1 A 30 30 GLY C C 30 175.878 175.686 0.192 1
1 241 . 17 1 1 A 30 30 GLY CA C 30 46.909 47.097 -0.188 1
1 242 . 17 1 1 A 30 30 GLY N N 30 103.375 106.258 -2.883 1
1 243 . 17 1 1 A 31 31 HIS H H 31 7.499 8.265 -0.766 1
1 244 . 17 1 1 A 31 31 HIS HA H 31 4.195 4.085 0.110 1
1 249 . 17 1 1 A 31 31 HIS C C 31 176.680 176.568 0.112 1
1 250 . 17 1 1 A 31 31 HIS CA C 31 59.232 59.178 0.054 1
1 251 . 17 1 1 A 31 31 HIS CB C 31 28.775 30.013 -1.238 1
1 254 . 17 1 1 A 31 31 HIS N N 31 122.268 121.796 0.472 1
1 255 . 17 1 1 A 32 32 LEU H H 32 8.464 7.356 1.108 1
1 256 . 17 1 1 A 32 32 LEU HA H 32 3.900 4.273 -0.373 1
1 266 . 17 1 1 A 32 32 LEU C C 32 179.964 178.624 1.340 1
1 267 . 17 1 1 A 32 32 LEU CA C 32 58.183 56.491 1.692 1
1 268 . 17 1 1 A 32 32 LEU CB C 32 41.777 42.190 -0.413 1
1 272 . 17 1 1 A 32 32 LEU N N 32 118.124 118.777 -0.653 1
1 273 . 17 1 1 A 33 33 ARG H H 33 7.236 7.903 -0.667 1
1 274 . 17 1 1 A 33 33 ARG HA H 33 4.097 4.008 0.089 1
1 281 . 17 1 1 A 33 33 ARG C C 33 178.375 178.664 -0.289 1
1 282 . 17 1 1 A 33 33 ARG CA C 33 58.637 59.361 -0.724 1
1 283 . 17 1 1 A 33 33 ARG CB C 33 29.760 29.960 -0.200 1
1 286 . 17 1 1 A 33 33 ARG N N 33 117.491 119.767 -2.276 1
1 287 . 17 1 1 A 34 34 LEU H H 34 7.702 7.080 0.622 1
1 288 . 17 1 1 A 34 34 LEU HA H 34 4.031 4.005 0.026 1
1 298 . 17 1 1 A 34 34 LEU C C 34 178.952 179.134 -0.182 1
1 299 . 17 1 1 A 34 34 LEU CA C 34 56.816 57.346 -0.530 1
1 300 . 17 1 1 A 34 34 LEU CB C 34 40.886 41.108 -0.222 1
1 304 . 17 1 1 A 34 34 LEU N N 34 118.773 117.703 1.070 1
1 305 . 17 1 1 A 35 35 HIS H H 35 7.172 7.699 -0.527 1
1 306 . 17 1 1 A 35 35 HIS HA H 35 4.721 4.280 0.441 1
1 311 . 17 1 1 A 35 35 HIS C C 35 175.730 176.063 -0.333 1
1 312 . 17 1 1 A 35 35 HIS CA C 35 55.788 59.503 -3.715 1
1 313 . 17 1 1 A 35 35 HIS CB C 35 28.787 29.877 -1.090 1
1 316 . 17 1 1 A 35 35 HIS N N 35 115.314 118.729 -3.415 1
1 317 . 17 1 1 A 36 36 SER H H 36 7.773 7.927 -0.154 1
1 318 . 17 1 1 A 36 36 SER HA H 36 4.410 4.670 -0.260 1
1 321 . 17 1 1 A 36 36 SER C C 36 175.092 174.533 0.559 1
1 322 . 17 1 1 A 36 36 SER CA C 36 59.320 58.206 1.114 1
1 323 . 17 1 1 A 36 36 SER CB C 36 63.614 62.983 0.631 1
1 324 . 17 1 1 A 36 36 SER N N 36 114.851 114.447 0.404 1
1 325 . 17 1 1 A 37 37 ARG H H 37 8.264 8.075 0.189 1
1 326 . 17 1 1 A 37 37 ARG HA H 37 4.340 4.312 0.028 1
1 333 . 17 1 1 A 37 37 ARG C C 37 176.804 177.131 -0.327 1
1 334 . 17 1 1 A 37 37 ARG CA C 37 56.665 57.444 -0.779 1
1 335 . 17 1 1 A 37 37 ARG CB C 37 30.544 31.109 -0.565 1
1 338 . 17 1 1 A 37 37 ARG N N 37 122.680 121.719 0.961 1
1 339 . 17 1 1 A 38 38 GLU H H 38 8.236 7.960 0.276 1
1 340 . 17 1 1 A 38 38 GLU HA H 38 4.242 4.524 -0.282 1
1 345 . 17 1 1 A 38 38 GLU C C 38 176.807 175.746 1.061 1
1 346 . 17 1 1 A 38 38 GLU CA C 38 56.861 55.514 1.347 1
1 347 . 17 1 1 A 38 38 GLU CB C 38 30.121 30.117 0.004 1
1 349 . 17 1 1 A 38 38 GLU N N 38 120.831 116.495 4.336 1
1 350 . 17 1 1 A 39 39 LYS H H 39 8.214 7.401 0.813 1
1 351 . 17 1 1 A 39 39 LYS HA H 39 4.337 4.345 -0.008 1
1 360 . 17 1 1 A 39 39 LYS C C 39 176.749 176.558 0.191 1
1 361 . 17 1 1 A 39 39 LYS CA C 39 56.498 56.395 0.103 1
1 362 . 17 1 1 A 39 39 LYS CB C 39 32.926 33.331 -0.405 1
1 366 . 17 1 1 A 39 39 LYS N N 39 121.436 121.352 0.084 1
1 367 . 17 1 1 A 40 40 SER H H 40 8.282 8.355 -0.073 1
1 368 . 17 1 1 A 40 40 SER HA H 40 4.471 4.356 0.115 1
1 371 . 17 1 1 A 40 40 SER C C 40 174.618 175.840 -1.222 1
1 372 . 17 1 1 A 40 40 SER CA C 40 58.313 58.624 -0.311 1
1 373 . 17 1 1 A 40 40 SER CB C 40 63.713 63.790 -0.077 1
1 374 . 17 1 1 A 40 40 SER N N 40 116.652 116.673 -0.021 1
1 375 . 17 1 1 A 41 41 SER H H 41 8.315 8.660 -0.345 1
1 376 . 17 1 1 A 41 41 SER HA H 41 4.505 4.212 0.293 1
1 379 . 17 1 1 A 41 41 SER C C 41 174.491 174.548 -0.057 1
1 380 . 17 1 1 A 41 41 SER CA C 41 58.298 62.097 -3.799 1
1 381 . 17 1 1 A 41 41 SER CB C 41 63.977 62.939 1.038 1
1 382 . 17 1 1 A 41 41 SER N N 41 117.808 119.903 -2.095 1
1 383 . 17 1 1 A 42 42 GLY H H 42 8.209 7.651 0.558 1
1 384 . 17 1 1 A 42 42 GLY HA2 H 42 4.137 4.175 -0.038 1
1 385 . 17 1 1 A 42 42 GLY HA3 H 42 4.137 4.175 -0.038 1
1 386 . 17 1 1 A 42 42 GLY C C 42 171.766 171.620 0.146 1
1 387 . 17 1 1 A 42 42 GLY CA C 42 44.693 44.984 -0.291 1
1 388 . 17 1 1 A 42 42 GLY N N 42 110.577 105.099 5.478 1
1 389 . 17 1 1 A 43 43 PRO HA H 43 4.477 4.723 -0.246 1
1 396 . 17 1 1 A 43 43 PRO C C 43 177.379 176.795 0.584 1
1 397 . 17 1 1 A 43 43 PRO CA C 43 63.211 62.501 0.710 1
1 398 . 17 1 1 A 43 43 PRO CB C 43 32.181 30.609 1.572 1
1 401 . 17 1 1 A 44 44 SER H H 44 8.517 8.368 0.149 1
1 402 . 17 1 1 A 44 44 SER C C 44 174.661 174.053 0.608 1
1 403 . 17 1 1 A 44 44 SER CA C 44 58.543 59.674 -1.131 1
1 404 . 17 1 1 A 44 44 SER CB C 44 64.118 64.993 -0.875 1
1 1 . 18 1 1 A 8 8 SER HA H 8 4.438 4.997 -0.559 1
1 4 . 18 1 1 A 8 8 SER CA C 8 58.600 57.619 0.981 1
1 5 . 18 1 1 A 8 8 SER CB C 8 63.792 65.772 -1.980 1
1 6 . 18 1 1 A 9 9 GLY H H 9 8.454 8.418 0.036 1
1 7 . 18 1 1 A 9 9 GLY HA2 H 9 3.938 4.011 -0.073 1
1 8 . 18 1 1 A 9 9 GLY HA3 H 9 3.938 4.019 -0.081 1
1 9 . 18 1 1 A 9 9 GLY CA C 9 45.227 45.700 -0.473 1
1 10 . 18 1 1 A 9 9 GLY N N 9 110.842 111.687 -0.845 1
1 11 . 18 1 1 A 10 10 GLU H H 10 8.211 8.033 0.178 1
1 12 . 18 1 1 A 10 10 GLU HA H 10 4.206 4.362 -0.156 1
1 17 . 18 1 1 A 10 10 GLU CA C 10 56.709 56.356 0.353 1
1 18 . 18 1 1 A 10 10 GLU CB C 10 30.317 30.441 -0.124 1
1 20 . 18 1 1 A 10 10 GLU N N 10 120.029 121.175 -1.146 1
1 21 . 18 1 1 A 11 11 ARG HA H 11 4.425 4.832 -0.407 1
1 28 . 18 1 1 A 11 11 ARG CA C 11 53.417 52.987 0.430 1
1 29 . 18 1 1 A 11 11 ARG CB C 11 29.953 31.399 -1.446 1
1 32 . 18 1 1 A 11 11 ARG N N 11 117.766 125.637 -7.871 1
1 33 . 18 1 1 A 12 12 PRO HA H 12 4.203 4.447 -0.244 1
1 40 . 18 1 1 A 12 12 PRO C C 12 176.483 176.449 0.034 1
1 41 . 18 1 1 A 12 12 PRO CA C 12 63.898 65.142 -1.244 1
1 42 . 18 1 1 A 12 12 PRO CB C 12 32.127 32.388 -0.261 1
1 45 . 18 1 1 A 13 13 PHE H H 13 7.791 7.415 0.376 1
1 46 . 18 1 1 A 13 13 PHE HA H 13 4.757 5.239 -0.482 1
1 54 . 18 1 1 A 13 13 PHE C C 13 174.511 174.574 -0.063 1
1 55 . 18 1 1 A 13 13 PHE CA C 13 56.893 56.564 0.329 1
1 56 . 18 1 1 A 13 13 PHE CB C 13 39.090 42.217 -3.127 1
1 62 . 18 1 1 A 13 13 PHE N N 13 118.173 118.124 0.049 1
1 63 . 18 1 1 A 14 14 LYS H H 14 8.611 8.739 -0.128 1
1 64 . 18 1 1 A 14 14 LYS HA H 14 5.071 4.901 0.170 1
1 73 . 18 1 1 A 14 14 LYS C C 14 175.322 174.329 0.993 1
1 74 . 18 1 1 A 14 14 LYS CA C 14 55.006 55.888 -0.882 1
1 75 . 18 1 1 A 14 14 LYS CB C 14 35.258 36.840 -1.582 1
1 79 . 18 1 1 A 14 14 LYS N N 14 124.455 120.553 3.902 1
1 80 . 18 1 1 A 15 15 CYS H H 15 9.115 9.272 -0.157 1
1 81 . 18 1 1 A 15 15 CYS HA H 15 4.549 4.811 -0.262 1
1 84 . 18 1 1 A 15 15 CYS C C 15 177.457 175.605 1.852 1
1 85 . 18 1 1 A 15 15 CYS CA C 15 59.450 58.112 1.338 1
1 86 . 18 1 1 A 15 15 CYS CB C 15 29.959 29.570 0.389 1
1 87 . 18 1 1 A 15 15 CYS N N 15 125.796 124.409 1.387 1
1 88 . 18 1 1 A 16 16 ASN H H 16 9.439 9.208 0.231 1
1 89 . 18 1 1 A 16 16 ASN HA H 16 4.552 4.692 -0.140 1
1 94 . 18 1 1 A 16 16 ASN C C 16 175.327 177.359 -2.032 1
1 95 . 18 1 1 A 16 16 ASN CA C 16 55.429 54.824 0.605 1
1 96 . 18 1 1 A 16 16 ASN CB C 16 38.518 38.766 -0.248 1
1 97 . 18 1 1 A 16 16 ASN N N 16 130.041 125.930 4.111 1
1 99 . 18 1 1 A 17 17 GLU H H 17 9.013 7.899 1.114 1
1 100 . 18 1 1 A 17 17 GLU HA H 17 4.244 3.993 0.251 1
1 105 . 18 1 1 A 17 17 GLU C C 17 177.345 178.154 -0.809 1
1 106 . 18 1 1 A 17 17 GLU CA C 17 58.195 58.790 -0.595 1
1 107 . 18 1 1 A 17 17 GLU CB C 17 29.394 28.797 0.597 1
1 109 . 18 1 1 A 17 17 GLU N N 17 121.584 119.941 1.643 1
1 110 . 18 1 1 A 18 18 CYS H H 18 8.410 7.488 0.922 1
1 111 . 18 1 1 A 18 18 CYS HA H 18 5.193 4.728 0.465 1
1 114 . 18 1 1 A 18 18 CYS C C 18 176.413 175.527 0.886 1
1 115 . 18 1 1 A 18 18 CYS CA C 18 58.391 59.864 -1.473 1
1 116 . 18 1 1 A 18 18 CYS CB C 18 32.346 29.973 2.373 1
1 117 . 18 1 1 A 18 18 CYS N N 18 116.182 115.043 1.139 1
1 118 . 18 1 1 A 19 19 GLY H H 19 8.045 8.019 0.026 1
1 119 . 18 1 1 A 19 19 GLY HA2 H 19 4.260 4.103 0.157 1
1 120 . 18 1 1 A 19 19 GLY HA3 H 19 3.829 4.113 -0.284 1
1 121 . 18 1 1 A 19 19 GLY C C 19 173.661 174.584 -0.923 1
1 122 . 18 1 1 A 19 19 GLY CA C 19 46.298 45.044 1.254 1
1 123 . 18 1 1 A 19 19 GLY N N 19 113.361 109.823 3.538 1
1 124 . 18 1 1 A 20 20 LYS H H 20 7.930 7.513 0.417 1
1 125 . 18 1 1 A 20 20 LYS HA H 20 3.967 4.321 -0.354 1
1 134 . 18 1 1 A 20 20 LYS C C 20 174.605 175.649 -1.044 1
1 135 . 18 1 1 A 20 20 LYS CA C 20 58.241 55.928 2.313 1
1 136 . 18 1 1 A 20 20 LYS CB C 20 33.836 33.538 0.298 1
1 140 . 18 1 1 A 20 20 LYS N N 20 123.055 122.088 0.967 1
1 141 . 18 1 1 A 21 21 GLY H H 21 8.013 8.151 -0.138 1
1 142 . 18 1 1 A 21 21 GLY HA2 H 21 4.880 4.228 0.652 1
1 143 . 18 1 1 A 21 21 GLY HA3 H 21 3.336 4.351 -1.015 1
1 144 . 18 1 1 A 21 21 GLY CA C 21 44.008 44.052 -0.044 1
1 145 . 18 1 1 A 21 21 GLY N N 21 108.426 111.531 -3.105 1
1 146 . 18 1 1 A 22 22 PHE H H 22 8.731 8.865 -0.134 1
1 147 . 18 1 1 A 22 22 PHE HA H 22 4.731 5.179 -0.448 1
1 155 . 18 1 1 A 22 22 PHE CA C 22 57.510 56.547 0.963 1
1 156 . 18 1 1 A 22 22 PHE CB C 22 44.105 43.739 0.366 1
1 162 . 18 1 1 A 22 22 PHE N N 22 117.792 121.176 -3.384 1
1 163 . 18 1 1 A 23 23 GLY HA2 H 23 4.454 3.960 0.494 1
1 164 . 18 1 1 A 23 23 GLY HA3 H 23 4.094 3.972 0.122 1
1 165 . 18 1 1 A 23 23 GLY CA C 23 45.710 47.053 -1.343 1
1 166 . 18 1 1 A 23 23 GLY N N 23 109.000 110.312 -1.312 1
1 167 . 18 1 1 A 24 24 ARG H H 24 7.197 7.578 -0.381 1
1 168 . 18 1 1 A 24 24 ARG HA H 24 4.743 4.537 0.206 1
1 175 . 18 1 1 A 24 24 ARG CA C 24 53.655 54.052 -0.397 1
1 176 . 18 1 1 A 24 24 ARG CB C 24 33.460 32.063 1.397 1
1 179 . 18 1 1 A 24 24 ARG N N 24 114.927 119.920 -4.993 1
1 180 . 18 1 1 A 25 25 ARG HA H 25 2.980 2.655 0.325 1
1 187 . 18 1 1 A 25 25 ARG CA C 25 59.693 58.804 0.889 1
1 188 . 18 1 1 A 25 25 ARG CB C 25 29.253 30.077 -0.824 1
1 191 . 18 1 1 A 26 26 SER HA H 26 4.092 4.060 0.032 1
1 194 . 18 1 1 A 26 26 SER C C 26 177.471 176.363 1.108 1
1 195 . 18 1 1 A 26 26 SER CA C 26 60.832 62.163 -1.331 1
1 196 . 18 1 1 A 26 26 SER CB C 26 61.616 63.191 -1.575 1
1 197 . 18 1 1 A 26 26 SER N N 26 120.568 114.946 5.622 1
1 198 . 18 1 1 A 27 27 HIS H H 27 6.799 7.477 -0.678 1
1 199 . 18 1 1 A 27 27 HIS HA H 27 4.556 4.202 0.354 1
1 204 . 18 1 1 A 27 27 HIS C C 27 178.281 177.496 0.785 1
1 205 . 18 1 1 A 27 27 HIS CA C 27 56.589 59.283 -2.694 1
1 206 . 18 1 1 A 27 27 HIS CB C 27 31.722 29.753 1.969 1
1 209 . 18 1 1 A 27 27 HIS N N 27 122.717 119.187 3.530 1
1 210 . 18 1 1 A 28 28 LEU H H 28 7.026 8.065 -1.039 1
1 211 . 18 1 1 A 28 28 LEU HA H 28 3.249 2.681 0.568 1
1 221 . 18 1 1 A 28 28 LEU C C 28 177.146 177.862 -0.716 1
1 222 . 18 1 1 A 28 28 LEU CA C 28 57.742 56.914 0.828 1
1 223 . 18 1 1 A 28 28 LEU CB C 28 40.422 41.818 -1.396 1
1 227 . 18 1 1 A 28 28 LEU N N 28 121.528 120.566 0.962 1
1 228 . 18 1 1 A 29 29 ALA H H 29 8.188 8.418 -0.230 1
1 229 . 18 1 1 A 29 29 ALA HA H 29 3.979 4.016 -0.037 1
1 233 . 18 1 1 A 29 29 ALA C C 29 180.981 180.350 0.631 1
1 234 . 18 1 1 A 29 29 ALA CA C 29 55.545 55.484 0.061 1
1 235 . 18 1 1 A 29 29 ALA CB C 29 17.763 18.233 -0.470 1
1 236 . 18 1 1 A 29 29 ALA N N 29 120.526 120.344 0.182 1
1 237 . 18 1 1 A 30 30 GLY H H 30 7.724 7.972 -0.248 1
1 238 . 18 1 1 A 30 30 GLY HA2 H 30 3.886 3.608 0.278 1
1 239 . 18 1 1 A 30 30 GLY HA3 H 30 3.785 3.626 0.159 1
1 240 . 18 1 1 A 30 30 GLY C C 30 175.878 175.662 0.216 1
1 241 . 18 1 1 A 30 30 GLY CA C 30 46.909 47.049 -0.140 1
1 242 . 18 1 1 A 30 30 GLY N N 30 103.375 106.262 -2.887 1
1 243 . 18 1 1 A 31 31 HIS H H 31 7.499 8.273 -0.774 1
1 244 . 18 1 1 A 31 31 HIS HA H 31 4.195 4.103 0.092 1
1 249 . 18 1 1 A 31 31 HIS C C 31 176.680 176.704 -0.024 1
1 250 . 18 1 1 A 31 31 HIS CA C 31 59.232 59.113 0.119 1
1 251 . 18 1 1 A 31 31 HIS CB C 31 28.775 30.008 -1.233 1
1 254 . 18 1 1 A 31 31 HIS N N 31 122.268 121.802 0.466 1
1 255 . 18 1 1 A 32 32 LEU H H 32 8.464 7.366 1.098 1
1 256 . 18 1 1 A 32 32 LEU HA H 32 3.900 4.264 -0.364 1
1 266 . 18 1 1 A 32 32 LEU C C 32 179.964 178.655 1.309 1
1 267 . 18 1 1 A 32 32 LEU CA C 32 58.183 56.505 1.678 1
1 268 . 18 1 1 A 32 32 LEU CB C 32 41.777 42.190 -0.413 1
1 272 . 18 1 1 A 32 32 LEU N N 32 118.124 118.706 -0.582 1
1 273 . 18 1 1 A 33 33 ARG H H 33 7.236 7.716 -0.480 1
1 274 . 18 1 1 A 33 33 ARG HA H 33 4.097 3.971 0.126 1
1 281 . 18 1 1 A 33 33 ARG C C 33 178.375 178.729 -0.354 1
1 282 . 18 1 1 A 33 33 ARG CA C 33 58.637 59.674 -1.037 1
1 283 . 18 1 1 A 33 33 ARG CB C 33 29.760 30.111 -0.351 1
1 286 . 18 1 1 A 33 33 ARG N N 33 117.491 119.289 -1.798 1
1 287 . 18 1 1 A 34 34 LEU H H 34 7.702 7.563 0.139 1
1 288 . 18 1 1 A 34 34 LEU HA H 34 4.031 4.004 0.027 1
1 298 . 18 1 1 A 34 34 LEU C C 34 178.952 179.109 -0.157 1
1 299 . 18 1 1 A 34 34 LEU CA C 34 56.816 57.737 -0.921 1
1 300 . 18 1 1 A 34 34 LEU CB C 34 40.886 40.953 -0.067 1
1 304 . 18 1 1 A 34 34 LEU N N 34 118.773 117.894 0.879 1
1 305 . 18 1 1 A 35 35 HIS H H 35 7.172 7.866 -0.694 1
1 306 . 18 1 1 A 35 35 HIS HA H 35 4.721 4.273 0.448 1
1 311 . 18 1 1 A 35 35 HIS C C 35 175.730 177.646 -1.916 1
1 312 . 18 1 1 A 35 35 HIS CA C 35 55.788 59.890 -4.102 1
1 313 . 18 1 1 A 35 35 HIS CB C 35 28.787 29.683 -0.896 1
1 316 . 18 1 1 A 35 35 HIS N N 35 115.314 119.264 -3.950 1
1 317 . 18 1 1 A 36 36 SER H H 36 7.773 7.968 -0.195 1
1 318 . 18 1 1 A 36 36 SER HA H 36 4.410 4.206 0.204 1
1 321 . 18 1 1 A 36 36 SER C C 36 175.092 176.133 -1.041 1
1 322 . 18 1 1 A 36 36 SER CA C 36 59.320 61.828 -2.508 1
1 323 . 18 1 1 A 36 36 SER CB C 36 63.614 62.856 0.758 1
1 324 . 18 1 1 A 36 36 SER N N 36 114.851 115.120 -0.269 1
1 325 . 18 1 1 A 37 37 ARG H H 37 8.264 7.729 0.535 1
1 326 . 18 1 1 A 37 37 ARG HA H 37 4.340 3.973 0.367 1
1 333 . 18 1 1 A 37 37 ARG C C 37 176.804 177.810 -1.006 1
1 334 . 18 1 1 A 37 37 ARG CA C 37 56.665 59.434 -2.769 1
1 335 . 18 1 1 A 37 37 ARG CB C 37 30.544 29.698 0.846 1
1 338 . 18 1 1 A 37 37 ARG N N 37 122.680 121.380 1.300 1
1 339 . 18 1 1 A 38 38 GLU H H 38 8.236 7.240 0.996 1
1 340 . 18 1 1 A 38 38 GLU HA H 38 4.242 4.490 -0.248 1
1 345 . 18 1 1 A 38 38 GLU C C 38 176.807 175.571 1.236 1
1 346 . 18 1 1 A 38 38 GLU CA C 38 56.861 55.220 1.641 1
1 347 . 18 1 1 A 38 38 GLU CB C 38 30.121 28.655 1.466 1
1 349 . 18 1 1 A 38 38 GLU N N 38 120.831 118.161 2.670 1
1 350 . 18 1 1 A 39 39 LYS H H 39 8.214 7.449 0.765 1
1 351 . 18 1 1 A 39 39 LYS HA H 39 4.337 4.839 -0.502 1
1 360 . 18 1 1 A 39 39 LYS C C 39 176.749 175.516 1.233 1
1 361 . 18 1 1 A 39 39 LYS CA C 39 56.498 55.079 1.419 1
1 362 . 18 1 1 A 39 39 LYS CB C 39 32.926 34.722 -1.796 1
1 366 . 18 1 1 A 39 39 LYS N N 39 121.436 122.338 -0.902 1
1 367 . 18 1 1 A 40 40 SER H H 40 8.282 9.013 -0.731 1
1 368 . 18 1 1 A 40 40 SER HA H 40 4.471 4.951 -0.480 1
1 371 . 18 1 1 A 40 40 SER C C 40 174.618 172.901 1.717 1
1 372 . 18 1 1 A 40 40 SER CA C 40 58.313 55.841 2.472 1
1 373 . 18 1 1 A 40 40 SER CB C 40 63.713 66.538 -2.825 1
1 374 . 18 1 1 A 40 40 SER N N 40 116.652 117.683 -1.031 1
1 375 . 18 1 1 A 41 41 SER H H 41 8.315 8.542 -0.227 1
1 376 . 18 1 1 A 41 41 SER HA H 41 4.505 3.990 0.515 1
1 379 . 18 1 1 A 41 41 SER C C 41 174.491 173.365 1.126 1
1 380 . 18 1 1 A 41 41 SER CA C 41 58.298 59.236 -0.938 1
1 381 . 18 1 1 A 41 41 SER CB C 41 63.977 61.742 2.235 1
1 382 . 18 1 1 A 41 41 SER N N 41 117.808 116.911 0.897 1
1 383 . 18 1 1 A 42 42 GLY H H 42 8.209 8.017 0.192 1
1 384 . 18 1 1 A 42 42 GLY HA2 H 42 4.137 4.191 -0.054 1
1 385 . 18 1 1 A 42 42 GLY HA3 H 42 4.137 4.191 -0.054 1
1 386 . 18 1 1 A 42 42 GLY C C 42 171.766 174.440 -2.674 1
1 387 . 18 1 1 A 42 42 GLY CA C 42 44.693 44.223 0.470 1
1 388 . 18 1 1 A 42 42 GLY N N 42 110.577 107.326 3.251 1
1 389 . 18 1 1 A 43 43 PRO HA H 43 4.477 4.458 0.019 1
1 396 . 18 1 1 A 43 43 PRO C C 43 177.379 175.786 1.593 1
1 397 . 18 1 1 A 43 43 PRO CA C 43 63.211 63.907 -0.696 1
1 398 . 18 1 1 A 43 43 PRO CB C 43 32.181 31.334 0.847 1
1 401 . 18 1 1 A 44 44 SER H H 44 8.517 7.665 0.852 1
1 402 . 18 1 1 A 44 44 SER C C 44 174.661 173.379 1.282 1
1 403 . 18 1 1 A 44 44 SER CA C 44 58.543 56.960 1.583 1
1 404 . 18 1 1 A 44 44 SER CB C 44 64.118 64.868 -0.750 1
1 1 . 19 1 1 A 8 8 SER HA H 8 4.438 4.786 -0.348 1
1 4 . 19 1 1 A 8 8 SER CA C 8 58.600 57.630 0.970 1
1 5 . 19 1 1 A 8 8 SER CB C 8 63.792 63.678 0.114 1
1 6 . 19 1 1 A 9 9 GLY H H 9 8.454 7.336 1.118 1
1 7 . 19 1 1 A 9 9 GLY HA2 H 9 3.938 4.058 -0.120 1
1 8 . 19 1 1 A 9 9 GLY HA3 H 9 3.938 4.060 -0.122 1
1 9 . 19 1 1 A 9 9 GLY CA C 9 45.227 45.715 -0.488 1
1 10 . 19 1 1 A 9 9 GLY N N 9 110.842 108.916 1.926 1
1 11 . 19 1 1 A 10 10 GLU H H 10 8.211 8.764 -0.553 1
1 12 . 19 1 1 A 10 10 GLU HA H 10 4.206 5.166 -0.960 1
1 17 . 19 1 1 A 10 10 GLU CA C 10 56.709 54.954 1.755 1
1 18 . 19 1 1 A 10 10 GLU CB C 10 30.317 32.159 -1.842 1
1 20 . 19 1 1 A 10 10 GLU N N 10 120.029 119.065 0.964 1
1 21 . 19 1 1 A 11 11 ARG HA H 11 4.425 4.621 -0.196 1
1 28 . 19 1 1 A 11 11 ARG CA C 11 53.417 54.023 -0.606 1
1 29 . 19 1 1 A 11 11 ARG CB C 11 29.953 30.003 -0.050 1
1 32 . 19 1 1 A 11 11 ARG N N 11 117.766 123.072 -5.306 1
1 33 . 19 1 1 A 12 12 PRO HA H 12 4.203 4.418 -0.215 1
1 40 . 19 1 1 A 12 12 PRO C C 12 176.483 176.348 0.135 1
1 41 . 19 1 1 A 12 12 PRO CA C 12 63.898 65.032 -1.134 1
1 42 . 19 1 1 A 12 12 PRO CB C 12 32.127 32.390 -0.263 1
1 45 . 19 1 1 A 13 13 PHE H H 13 7.791 7.464 0.327 1
1 46 . 19 1 1 A 13 13 PHE HA H 13 4.757 5.308 -0.551 1
1 54 . 19 1 1 A 13 13 PHE C C 13 174.511 174.497 0.014 1
1 55 . 19 1 1 A 13 13 PHE CA C 13 56.893 56.509 0.384 1
1 56 . 19 1 1 A 13 13 PHE CB C 13 39.090 42.349 -3.259 1
1 62 . 19 1 1 A 13 13 PHE N N 13 118.173 118.115 0.058 1
1 63 . 19 1 1 A 14 14 LYS H H 14 8.611 8.790 -0.179 1
1 64 . 19 1 1 A 14 14 LYS HA H 14 5.071 5.119 -0.048 1
1 73 . 19 1 1 A 14 14 LYS C C 14 175.322 174.003 1.319 1
1 74 . 19 1 1 A 14 14 LYS CA C 14 55.006 55.616 -0.610 1
1 75 . 19 1 1 A 14 14 LYS CB C 14 35.258 37.015 -1.757 1
1 79 . 19 1 1 A 14 14 LYS N N 14 124.455 120.760 3.695 1
1 80 . 19 1 1 A 15 15 CYS H H 15 9.115 9.216 -0.101 1
1 81 . 19 1 1 A 15 15 CYS HA H 15 4.549 4.995 -0.446 1
1 84 . 19 1 1 A 15 15 CYS C C 15 177.457 174.962 2.495 1
1 85 . 19 1 1 A 15 15 CYS CA C 15 59.450 57.675 1.775 1
1 86 . 19 1 1 A 15 15 CYS CB C 15 29.959 30.012 -0.053 1
1 87 . 19 1 1 A 15 15 CYS N N 15 125.796 123.753 2.043 1
1 88 . 19 1 1 A 16 16 ASN H H 16 9.439 8.878 0.561 1
1 89 . 19 1 1 A 16 16 ASN HA H 16 4.552 4.719 -0.167 1
1 94 . 19 1 1 A 16 16 ASN C C 16 175.327 177.172 -1.845 1
1 95 . 19 1 1 A 16 16 ASN CA C 16 55.429 54.377 1.052 1
1 96 . 19 1 1 A 16 16 ASN CB C 16 38.518 38.958 -0.440 1
1 97 . 19 1 1 A 16 16 ASN N N 16 130.041 125.720 4.321 1
1 99 . 19 1 1 A 17 17 GLU H H 17 9.013 7.799 1.214 1
1 100 . 19 1 1 A 17 17 GLU HA H 17 4.244 3.981 0.263 1
1 105 . 19 1 1 A 17 17 GLU C C 17 177.345 178.153 -0.808 1
1 106 . 19 1 1 A 17 17 GLU CA C 17 58.195 58.838 -0.643 1
1 107 . 19 1 1 A 17 17 GLU CB C 17 29.394 28.550 0.844 1
1 109 . 19 1 1 A 17 17 GLU N N 17 121.584 120.707 0.877 1
1 110 . 19 1 1 A 18 18 CYS H H 18 8.410 7.510 0.900 1
1 111 . 19 1 1 A 18 18 CYS HA H 18 5.193 4.719 0.474 1
1 114 . 19 1 1 A 18 18 CYS C C 18 176.413 175.554 0.859 1
1 115 . 19 1 1 A 18 18 CYS CA C 18 58.391 59.602 -1.211 1
1 116 . 19 1 1 A 18 18 CYS CB C 18 32.346 29.981 2.365 1
1 117 . 19 1 1 A 18 18 CYS N N 18 116.182 114.897 1.285 1
1 118 . 19 1 1 A 19 19 GLY H H 19 8.045 8.096 -0.051 1
1 119 . 19 1 1 A 19 19 GLY HA2 H 19 4.260 4.090 0.170 1
1 120 . 19 1 1 A 19 19 GLY HA3 H 19 3.829 4.100 -0.271 1
1 121 . 19 1 1 A 19 19 GLY C C 19 173.661 174.704 -1.043 1
1 122 . 19 1 1 A 19 19 GLY CA C 19 46.298 45.096 1.202 1
1 123 . 19 1 1 A 19 19 GLY N N 19 113.361 109.909 3.452 1
1 124 . 19 1 1 A 20 20 LYS H H 20 7.930 7.962 -0.032 1
1 125 . 19 1 1 A 20 20 LYS HA H 20 3.967 4.255 -0.288 1
1 134 . 19 1 1 A 20 20 LYS C C 20 174.605 175.553 -0.948 1
1 135 . 19 1 1 A 20 20 LYS CA C 20 58.241 55.928 2.313 1
1 136 . 19 1 1 A 20 20 LYS CB C 20 33.836 33.513 0.323 1
1 140 . 19 1 1 A 20 20 LYS N N 20 123.055 122.348 0.707 1
1 141 . 19 1 1 A 21 21 GLY H H 21 8.013 8.090 -0.077 1
1 142 . 19 1 1 A 21 21 GLY HA2 H 21 4.880 4.247 0.633 1
1 143 . 19 1 1 A 21 21 GLY HA3 H 21 3.336 4.373 -1.037 1
1 144 . 19 1 1 A 21 21 GLY CA C 21 44.008 44.023 -0.015 1
1 145 . 19 1 1 A 21 21 GLY N N 21 108.426 111.524 -3.098 1
1 146 . 19 1 1 A 22 22 PHE H H 22 8.731 8.452 0.279 1
1 147 . 19 1 1 A 22 22 PHE HA H 22 4.731 5.113 -0.382 1
1 155 . 19 1 1 A 22 22 PHE CA C 22 57.510 56.546 0.964 1
1 156 . 19 1 1 A 22 22 PHE CB C 22 44.105 43.365 0.740 1
1 162 . 19 1 1 A 22 22 PHE N N 22 117.792 120.725 -2.933 1
1 163 . 19 1 1 A 23 23 GLY HA2 H 23 4.454 3.944 0.510 1
1 164 . 19 1 1 A 23 23 GLY HA3 H 23 4.094 3.986 0.108 1
1 165 . 19 1 1 A 23 23 GLY CA C 23 45.710 46.711 -1.001 1
1 166 . 19 1 1 A 23 23 GLY N N 23 109.000 110.877 -1.877 1
1 167 . 19 1 1 A 24 24 ARG H H 24 7.197 7.662 -0.465 1
1 168 . 19 1 1 A 24 24 ARG HA H 24 4.743 4.478 0.265 1
1 175 . 19 1 1 A 24 24 ARG CA C 24 53.655 54.517 -0.862 1
1 176 . 19 1 1 A 24 24 ARG CB C 24 33.460 31.740 1.720 1
1 179 . 19 1 1 A 24 24 ARG N N 24 114.927 120.235 -5.308 1
1 180 . 19 1 1 A 25 25 ARG HA H 25 2.980 2.766 0.214 1
1 187 . 19 1 1 A 25 25 ARG CA C 25 59.693 59.383 0.310 1
1 188 . 19 1 1 A 25 25 ARG CB C 25 29.253 29.716 -0.463 1
1 191 . 19 1 1 A 26 26 SER HA H 26 4.092 4.187 -0.095 1
1 194 . 19 1 1 A 26 26 SER C C 26 177.471 177.363 0.108 1
1 195 . 19 1 1 A 26 26 SER CA C 26 60.832 60.862 -0.030 1
1 196 . 19 1 1 A 26 26 SER CB C 26 61.616 63.012 -1.396 1
1 197 . 19 1 1 A 26 26 SER N N 26 120.568 114.190 6.378 1
1 198 . 19 1 1 A 27 27 HIS H H 27 6.799 7.608 -0.809 1
1 199 . 19 1 1 A 27 27 HIS HA H 27 4.556 4.220 0.336 1
1 204 . 19 1 1 A 27 27 HIS C C 27 178.281 177.412 0.869 1
1 205 . 19 1 1 A 27 27 HIS CA C 27 56.589 59.101 -2.512 1
1 206 . 19 1 1 A 27 27 HIS CB C 27 31.722 29.650 2.072 1
1 209 . 19 1 1 A 27 27 HIS N N 27 122.717 119.115 3.602 1
1 210 . 19 1 1 A 28 28 LEU H H 28 7.026 7.492 -0.466 1
1 211 . 19 1 1 A 28 28 LEU HA H 28 3.249 2.749 0.500 1
1 221 . 19 1 1 A 28 28 LEU C C 28 177.146 177.755 -0.609 1
1 222 . 19 1 1 A 28 28 LEU CA C 28 57.742 57.044 0.698 1
1 223 . 19 1 1 A 28 28 LEU CB C 28 40.422 41.730 -1.308 1
1 227 . 19 1 1 A 28 28 LEU N N 28 121.528 120.630 0.898 1
1 228 . 19 1 1 A 29 29 ALA H H 29 8.188 8.336 -0.148 1
1 229 . 19 1 1 A 29 29 ALA HA H 29 3.979 4.023 -0.044 1
1 233 . 19 1 1 A 29 29 ALA C C 29 180.981 180.324 0.657 1
1 234 . 19 1 1 A 29 29 ALA CA C 29 55.545 55.439 0.106 1
1 235 . 19 1 1 A 29 29 ALA CB C 29 17.763 18.456 -0.693 1
1 236 . 19 1 1 A 29 29 ALA N N 29 120.526 120.199 0.327 1
1 237 . 19 1 1 A 30 30 GLY H H 30 7.724 7.932 -0.208 1
1 238 . 19 1 1 A 30 30 GLY HA2 H 30 3.886 3.559 0.327 1
1 239 . 19 1 1 A 30 30 GLY HA3 H 30 3.785 3.586 0.199 1
1 240 . 19 1 1 A 30 30 GLY C C 30 175.878 175.607 0.271 1
1 241 . 19 1 1 A 30 30 GLY CA C 30 46.909 47.088 -0.179 1
1 242 . 19 1 1 A 30 30 GLY N N 30 103.375 106.334 -2.959 1
1 243 . 19 1 1 A 31 31 HIS H H 31 7.499 8.263 -0.764 1
1 244 . 19 1 1 A 31 31 HIS HA H 31 4.195 4.112 0.083 1
1 249 . 19 1 1 A 31 31 HIS C C 31 176.680 176.409 0.271 1
1 250 . 19 1 1 A 31 31 HIS CA C 31 59.232 59.171 0.061 1
1 251 . 19 1 1 A 31 31 HIS CB C 31 28.775 30.087 -1.312 1
1 254 . 19 1 1 A 31 31 HIS N N 31 122.268 121.807 0.461 1
1 255 . 19 1 1 A 32 32 LEU H H 32 8.464 7.382 1.082 1
1 256 . 19 1 1 A 32 32 LEU HA H 32 3.900 4.265 -0.365 1
1 266 . 19 1 1 A 32 32 LEU C C 32 179.964 178.478 1.486 1
1 267 . 19 1 1 A 32 32 LEU CA C 32 58.183 56.484 1.699 1
1 268 . 19 1 1 A 32 32 LEU CB C 32 41.777 42.215 -0.438 1
1 272 . 19 1 1 A 32 32 LEU N N 32 118.124 118.790 -0.666 1
1 273 . 19 1 1 A 33 33 ARG H H 33 7.236 8.145 -0.909 1
1 274 . 19 1 1 A 33 33 ARG HA H 33 4.097 3.945 0.152 1
1 281 . 19 1 1 A 33 33 ARG C C 33 178.375 178.751 -0.376 1
1 282 . 19 1 1 A 33 33 ARG CA C 33 58.637 59.880 -1.243 1
1 283 . 19 1 1 A 33 33 ARG CB C 33 29.760 29.889 -0.129 1
1 286 . 19 1 1 A 33 33 ARG N N 33 117.491 119.391 -1.900 1
1 287 . 19 1 1 A 34 34 LEU H H 34 7.702 7.665 0.037 1
1 288 . 19 1 1 A 34 34 LEU HA H 34 4.031 3.979 0.052 1
1 298 . 19 1 1 A 34 34 LEU C C 34 178.952 179.017 -0.065 1
1 299 . 19 1 1 A 34 34 LEU CA C 34 56.816 57.850 -1.034 1
1 300 . 19 1 1 A 34 34 LEU CB C 34 40.886 40.891 -0.005 1
1 304 . 19 1 1 A 34 34 LEU N N 34 118.773 118.481 0.292 1
1 305 . 19 1 1 A 35 35 HIS H H 35 7.172 7.767 -0.595 1
1 306 . 19 1 1 A 35 35 HIS HA H 35 4.721 4.379 0.342 1
1 311 . 19 1 1 A 35 35 HIS C C 35 175.730 175.963 -0.233 1
1 312 . 19 1 1 A 35 35 HIS CA C 35 55.788 59.051 -3.263 1
1 313 . 19 1 1 A 35 35 HIS CB C 35 28.787 29.545 -0.758 1
1 316 . 19 1 1 A 35 35 HIS N N 35 115.314 118.806 -3.492 1
1 317 . 19 1 1 A 36 36 SER H H 36 7.773 7.404 0.369 1
1 318 . 19 1 1 A 36 36 SER HA H 36 4.410 4.866 -0.456 1
1 321 . 19 1 1 A 36 36 SER C C 36 175.092 175.076 0.016 1
1 322 . 19 1 1 A 36 36 SER CA C 36 59.320 57.785 1.535 1
1 323 . 19 1 1 A 36 36 SER CB C 36 63.614 63.622 -0.008 1
1 324 . 19 1 1 A 36 36 SER N N 36 114.851 111.069 3.782 1
1 325 . 19 1 1 A 37 37 ARG H H 37 8.264 7.741 0.523 1
1 326 . 19 1 1 A 37 37 ARG HA H 37 4.340 4.218 0.122 1
1 333 . 19 1 1 A 37 37 ARG C C 37 176.804 178.556 -1.752 1
1 334 . 19 1 1 A 37 37 ARG CA C 37 56.665 58.644 -1.979 1
1 335 . 19 1 1 A 37 37 ARG CB C 37 30.544 30.666 -0.122 1
1 338 . 19 1 1 A 37 37 ARG N N 37 122.680 120.089 2.591 1
1 339 . 19 1 1 A 38 38 GLU H H 38 8.236 8.148 0.088 1
1 340 . 19 1 1 A 38 38 GLU HA H 38 4.242 4.076 0.166 1
1 345 . 19 1 1 A 38 38 GLU C C 38 176.807 177.403 -0.596 1
1 346 . 19 1 1 A 38 38 GLU CA C 38 56.861 59.161 -2.300 1
1 347 . 19 1 1 A 38 38 GLU CB C 38 30.121 29.680 0.441 1
1 349 . 19 1 1 A 38 38 GLU N N 38 120.831 119.673 1.158 1
1 350 . 19 1 1 A 39 39 LYS H H 39 8.214 7.659 0.555 1
1 351 . 19 1 1 A 39 39 LYS HA H 39 4.337 4.202 0.135 1
1 360 . 19 1 1 A 39 39 LYS C C 39 176.749 177.289 -0.540 1
1 361 . 19 1 1 A 39 39 LYS CA C 39 56.498 57.693 -1.195 1
1 362 . 19 1 1 A 39 39 LYS CB C 39 32.926 32.746 0.180 1
1 366 . 19 1 1 A 39 39 LYS N N 39 121.436 119.776 1.660 1
1 367 . 19 1 1 A 40 40 SER H H 40 8.282 8.901 -0.619 1
1 368 . 19 1 1 A 40 40 SER HA H 40 4.471 4.214 0.257 1
1 371 . 19 1 1 A 40 40 SER C C 40 174.618 175.138 -0.520 1
1 372 . 19 1 1 A 40 40 SER CA C 40 58.313 59.182 -0.869 1
1 373 . 19 1 1 A 40 40 SER CB C 40 63.713 62.583 1.130 1
1 374 . 19 1 1 A 40 40 SER N N 40 116.652 119.433 -2.781 1
1 375 . 19 1 1 A 41 41 SER H H 41 8.315 8.259 0.056 1
1 376 . 19 1 1 A 41 41 SER HA H 41 4.505 4.761 -0.256 1
1 379 . 19 1 1 A 41 41 SER C C 41 174.491 174.238 0.253 1
1 380 . 19 1 1 A 41 41 SER CA C 41 58.298 58.385 -0.087 1
1 381 . 19 1 1 A 41 41 SER CB C 41 63.977 64.854 -0.877 1
1 382 . 19 1 1 A 41 41 SER N N 41 117.808 114.551 3.257 1
1 383 . 19 1 1 A 42 42 GLY H H 42 8.209 7.616 0.593 1
1 384 . 19 1 1 A 42 42 GLY HA2 H 42 4.137 4.084 0.053 1
1 385 . 19 1 1 A 42 42 GLY HA3 H 42 4.137 4.084 0.053 1
1 386 . 19 1 1 A 42 42 GLY C C 42 171.766 173.286 -1.520 1
1 387 . 19 1 1 A 42 42 GLY CA C 42 44.693 44.010 0.683 1
1 388 . 19 1 1 A 42 42 GLY N N 42 110.577 108.609 1.968 1
1 389 . 19 1 1 A 43 43 PRO HA H 43 4.477 4.543 -0.066 1
1 396 . 19 1 1 A 43 43 PRO C C 43 177.379 177.296 0.083 1
1 397 . 19 1 1 A 43 43 PRO CA C 43 63.211 62.470 0.741 1
1 398 . 19 1 1 A 43 43 PRO CB C 43 32.181 32.534 -0.353 1
1 401 . 19 1 1 A 44 44 SER H H 44 8.517 9.001 -0.484 1
1 402 . 19 1 1 A 44 44 SER C C 44 174.661 176.841 -2.180 1
1 403 . 19 1 1 A 44 44 SER CA C 44 58.543 61.379 -2.836 1
1 404 . 19 1 1 A 44 44 SER CB C 44 64.118 63.026 1.092 1
1 1 . 20 1 1 A 8 8 SER HA H 8 4.438 4.851 -0.413 1
1 4 . 20 1 1 A 8 8 SER CA C 8 58.600 56.808 1.792 1
1 5 . 20 1 1 A 8 8 SER CB C 8 63.792 63.470 0.322 1
1 6 . 20 1 1 A 9 9 GLY H H 9 8.454 8.858 -0.404 1
1 7 . 20 1 1 A 9 9 GLY HA2 H 9 3.938 4.205 -0.267 1
1 8 . 20 1 1 A 9 9 GLY HA3 H 9 3.938 4.212 -0.274 1
1 9 . 20 1 1 A 9 9 GLY CA C 9 45.227 46.212 -0.985 1
1 10 . 20 1 1 A 9 9 GLY N N 9 110.842 115.317 -4.475 1
1 11 . 20 1 1 A 10 10 GLU H H 10 8.211 8.334 -0.123 1
1 12 . 20 1 1 A 10 10 GLU HA H 10 4.206 4.162 0.044 1
1 17 . 20 1 1 A 10 10 GLU CA C 10 56.709 58.998 -2.289 1
1 18 . 20 1 1 A 10 10 GLU CB C 10 30.317 29.898 0.419 1
1 20 . 20 1 1 A 10 10 GLU N N 10 120.029 123.253 -3.224 1
1 21 . 20 1 1 A 11 11 ARG HA H 11 4.425 4.484 -0.059 1
1 28 . 20 1 1 A 11 11 ARG CA C 11 53.417 54.945 -1.528 1
1 29 . 20 1 1 A 11 11 ARG CB C 11 29.953 29.914 0.039 1
1 32 . 20 1 1 A 11 11 ARG N N 11 117.766 119.720 -1.954 1
1 33 . 20 1 1 A 12 12 PRO HA H 12 4.203 4.450 -0.247 1
1 40 . 20 1 1 A 12 12 PRO C C 12 176.483 176.408 0.075 1
1 41 . 20 1 1 A 12 12 PRO CA C 12 63.898 64.909 -1.011 1
1 42 . 20 1 1 A 12 12 PRO CB C 12 32.127 32.446 -0.319 1
1 45 . 20 1 1 A 13 13 PHE H H 13 7.791 7.434 0.357 1
1 46 . 20 1 1 A 13 13 PHE HA H 13 4.757 5.346 -0.589 1
1 54 . 20 1 1 A 13 13 PHE C C 13 174.511 174.413 0.098 1
1 55 . 20 1 1 A 13 13 PHE CA C 13 56.893 56.317 0.576 1
1 56 . 20 1 1 A 13 13 PHE CB C 13 39.090 42.566 -3.476 1
1 62 . 20 1 1 A 13 13 PHE N N 13 118.173 118.118 0.055 1
1 63 . 20 1 1 A 14 14 LYS H H 14 8.611 8.799 -0.188 1
1 64 . 20 1 1 A 14 14 LYS HA H 14 5.071 5.031 0.040 1
1 73 . 20 1 1 A 14 14 LYS C C 14 175.322 174.232 1.090 1
1 74 . 20 1 1 A 14 14 LYS CA C 14 55.006 55.492 -0.486 1
1 75 . 20 1 1 A 14 14 LYS CB C 14 35.258 36.759 -1.501 1
1 79 . 20 1 1 A 14 14 LYS N N 14 124.455 120.715 3.740 1
1 80 . 20 1 1 A 15 15 CYS H H 15 9.115 9.294 -0.179 1
1 81 . 20 1 1 A 15 15 CYS HA H 15 4.549 4.953 -0.404 1
1 84 . 20 1 1 A 15 15 CYS C C 15 177.457 175.098 2.359 1
1 85 . 20 1 1 A 15 15 CYS CA C 15 59.450 58.190 1.260 1
1 86 . 20 1 1 A 15 15 CYS CB C 15 29.959 29.746 0.213 1
1 87 . 20 1 1 A 15 15 CYS N N 15 125.796 124.182 1.614 1
1 88 . 20 1 1 A 16 16 ASN H H 16 9.439 9.192 0.247 1
1 89 . 20 1 1 A 16 16 ASN HA H 16 4.552 4.689 -0.137 1
1 94 . 20 1 1 A 16 16 ASN C C 16 175.327 177.541 -2.214 1
1 95 . 20 1 1 A 16 16 ASN CA C 16 55.429 54.795 0.634 1
1 96 . 20 1 1 A 16 16 ASN CB C 16 38.518 38.945 -0.427 1
1 97 . 20 1 1 A 16 16 ASN N N 16 130.041 125.973 4.068 1
1 99 . 20 1 1 A 17 17 GLU H H 17 9.013 7.944 1.069 1
1 100 . 20 1 1 A 17 17 GLU HA H 17 4.244 3.955 0.289 1
1 105 . 20 1 1 A 17 17 GLU C C 17 177.345 178.322 -0.977 1
1 106 . 20 1 1 A 17 17 GLU CA C 17 58.195 58.636 -0.441 1
1 107 . 20 1 1 A 17 17 GLU CB C 17 29.394 28.442 0.952 1
1 109 . 20 1 1 A 17 17 GLU N N 17 121.584 121.131 0.453 1
1 110 . 20 1 1 A 18 18 CYS H H 18 8.410 7.490 0.920 1
1 111 . 20 1 1 A 18 18 CYS HA H 18 5.193 4.715 0.478 1
1 114 . 20 1 1 A 18 18 CYS C C 18 176.413 175.559 0.854 1
1 115 . 20 1 1 A 18 18 CYS CA C 18 58.391 59.662 -1.271 1
1 116 . 20 1 1 A 18 18 CYS CB C 18 32.346 29.961 2.385 1
1 117 . 20 1 1 A 18 18 CYS N N 18 116.182 114.909 1.273 1
1 118 . 20 1 1 A 19 19 GLY H H 19 8.045 8.007 0.038 1
1 119 . 20 1 1 A 19 19 GLY HA2 H 19 4.260 4.083 0.177 1
1 120 . 20 1 1 A 19 19 GLY HA3 H 19 3.829 4.095 -0.266 1
1 121 . 20 1 1 A 19 19 GLY C C 19 173.661 174.606 -0.945 1
1 122 . 20 1 1 A 19 19 GLY CA C 19 46.298 44.938 1.360 1
1 123 . 20 1 1 A 19 19 GLY N N 19 113.361 109.781 3.580 1
1 124 . 20 1 1 A 20 20 LYS H H 20 7.930 7.595 0.335 1
1 125 . 20 1 1 A 20 20 LYS HA H 20 3.967 4.130 -0.163 1
1 134 . 20 1 1 A 20 20 LYS C C 20 174.605 175.523 -0.918 1
1 135 . 20 1 1 A 20 20 LYS CA C 20 58.241 56.587 1.654 1
1 136 . 20 1 1 A 20 20 LYS CB C 20 33.836 33.097 0.739 1
1 140 . 20 1 1 A 20 20 LYS N N 20 123.055 122.619 0.436 1
1 141 . 20 1 1 A 21 21 GLY H H 21 8.013 8.098 -0.085 1
1 142 . 20 1 1 A 21 21 GLY HA2 H 21 4.880 4.266 0.614 1
1 143 . 20 1 1 A 21 21 GLY HA3 H 21 3.336 4.411 -1.075 1
1 144 . 20 1 1 A 21 21 GLY CA C 21 44.008 44.010 -0.002 1
1 145 . 20 1 1 A 21 21 GLY N N 21 108.426 111.219 -2.793 1
1 146 . 20 1 1 A 22 22 PHE H H 22 8.731 8.399 0.332 1
1 147 . 20 1 1 A 22 22 PHE HA H 22 4.731 5.088 -0.357 1
1 155 . 20 1 1 A 22 22 PHE CA C 22 57.510 56.731 0.779 1
1 156 . 20 1 1 A 22 22 PHE CB C 22 44.105 43.629 0.476 1
1 162 . 20 1 1 A 22 22 PHE N N 22 117.792 119.938 -2.146 1
1 163 . 20 1 1 A 23 23 GLY HA2 H 23 4.454 3.941 0.513 1
1 164 . 20 1 1 A 23 23 GLY HA3 H 23 4.094 3.991 0.103 1
1 165 . 20 1 1 A 23 23 GLY CA C 23 45.710 46.679 -0.969 1
1 166 . 20 1 1 A 23 23 GLY N N 23 109.000 110.804 -1.804 1
1 167 . 20 1 1 A 24 24 ARG H H 24 7.197 7.651 -0.454 1
1 168 . 20 1 1 A 24 24 ARG HA H 24 4.743 4.448 0.295 1
1 175 . 20 1 1 A 24 24 ARG CA C 24 53.655 53.988 -0.333 1
1 176 . 20 1 1 A 24 24 ARG CB C 24 33.460 32.399 1.061 1
1 179 . 20 1 1 A 24 24 ARG N N 24 114.927 119.949 -5.022 1
1 180 . 20 1 1 A 25 25 ARG HA H 25 2.980 2.939 0.041 1
1 187 . 20 1 1 A 25 25 ARG CA C 25 59.693 59.093 0.600 1
1 188 . 20 1 1 A 25 25 ARG CB C 25 29.253 29.991 -0.738 1
1 191 . 20 1 1 A 26 26 SER HA H 26 4.092 4.144 -0.052 1
1 194 . 20 1 1 A 26 26 SER C C 26 177.471 176.894 0.577 1
1 195 . 20 1 1 A 26 26 SER CA C 26 60.832 60.968 -0.136 1
1 196 . 20 1 1 A 26 26 SER CB C 26 61.616 63.026 -1.410 1
1 197 . 20 1 1 A 26 26 SER N N 26 120.568 113.470 7.098 1
1 198 . 20 1 1 A 27 27 HIS H H 27 6.799 7.657 -0.858 1
1 199 . 20 1 1 A 27 27 HIS HA H 27 4.556 4.251 0.305 1
1 204 . 20 1 1 A 27 27 HIS C C 27 178.281 177.248 1.033 1
1 205 . 20 1 1 A 27 27 HIS CA C 27 56.589 59.283 -2.694 1
1 206 . 20 1 1 A 27 27 HIS CB C 27 31.722 29.835 1.887 1
1 209 . 20 1 1 A 27 27 HIS N N 27 122.717 118.904 3.813 1
1 210 . 20 1 1 A 28 28 LEU H H 28 7.026 8.001 -0.975 1
1 211 . 20 1 1 A 28 28 LEU HA H 28 3.249 2.658 0.591 1
1 221 . 20 1 1 A 28 28 LEU C C 28 177.146 177.739 -0.593 1
1 222 . 20 1 1 A 28 28 LEU CA C 28 57.742 56.725 1.017 1
1 223 . 20 1 1 A 28 28 LEU CB C 28 40.422 42.167 -1.745 1
1 227 . 20 1 1 A 28 28 LEU N N 28 121.528 120.570 0.958 1
1 228 . 20 1 1 A 29 29 ALA H H 29 8.188 8.636 -0.448 1
1 229 . 20 1 1 A 29 29 ALA HA H 29 3.979 4.020 -0.041 1
1 233 . 20 1 1 A 29 29 ALA C C 29 180.981 180.348 0.633 1
1 234 . 20 1 1 A 29 29 ALA CA C 29 55.545 55.531 0.014 1
1 235 . 20 1 1 A 29 29 ALA CB C 29 17.763 18.197 -0.434 1
1 236 . 20 1 1 A 29 29 ALA N N 29 120.526 120.810 -0.284 1
1 237 . 20 1 1 A 30 30 GLY H H 30 7.724 7.916 -0.192 1
1 238 . 20 1 1 A 30 30 GLY HA2 H 30 3.886 3.591 0.295 1
1 239 . 20 1 1 A 30 30 GLY HA3 H 30 3.785 3.617 0.168 1
1 240 . 20 1 1 A 30 30 GLY C C 30 175.878 175.643 0.235 1
1 241 . 20 1 1 A 30 30 GLY CA C 30 46.909 47.056 -0.147 1
1 242 . 20 1 1 A 30 30 GLY N N 30 103.375 106.261 -2.886 1
1 243 . 20 1 1 A 31 31 HIS H H 31 7.499 8.132 -0.633 1
1 244 . 20 1 1 A 31 31 HIS HA H 31 4.195 4.074 0.121 1
1 249 . 20 1 1 A 31 31 HIS C C 31 176.680 176.266 0.414 1
1 250 . 20 1 1 A 31 31 HIS CA C 31 59.232 59.083 0.149 1
1 251 . 20 1 1 A 31 31 HIS CB C 31 28.775 29.976 -1.201 1
1 254 . 20 1 1 A 31 31 HIS N N 31 122.268 121.779 0.489 1
1 255 . 20 1 1 A 32 32 LEU H H 32 8.464 7.352 1.112 1
1 256 . 20 1 1 A 32 32 LEU HA H 32 3.900 4.289 -0.389 1
1 266 . 20 1 1 A 32 32 LEU C C 32 179.964 178.181 1.783 1
1 267 . 20 1 1 A 32 32 LEU CA C 32 58.183 55.391 2.792 1
1 268 . 20 1 1 A 32 32 LEU CB C 32 41.777 42.484 -0.707 1
1 272 . 20 1 1 A 32 32 LEU N N 32 118.124 118.753 -0.629 1
1 273 . 20 1 1 A 33 33 ARG H H 33 7.236 7.993 -0.757 1
1 274 . 20 1 1 A 33 33 ARG HA H 33 4.097 4.081 0.016 1
1 281 . 20 1 1 A 33 33 ARG C C 33 178.375 178.774 -0.399 1
1 282 . 20 1 1 A 33 33 ARG CA C 33 58.637 59.160 -0.523 1
1 283 . 20 1 1 A 33 33 ARG CB C 33 29.760 29.792 -0.032 1
1 286 . 20 1 1 A 33 33 ARG N N 33 117.491 119.880 -2.389 1
1 287 . 20 1 1 A 34 34 LEU H H 34 7.702 7.603 0.099 1
1 288 . 20 1 1 A 34 34 LEU HA H 34 4.031 3.993 0.038 1
1 298 . 20 1 1 A 34 34 LEU C C 34 178.952 178.926 0.026 1
1 299 . 20 1 1 A 34 34 LEU CA C 34 56.816 57.338 -0.522 1
1 300 . 20 1 1 A 34 34 LEU CB C 34 40.886 41.100 -0.214 1
1 304 . 20 1 1 A 34 34 LEU N N 34 118.773 117.552 1.221 1
1 305 . 20 1 1 A 35 35 HIS H H 35 7.172 7.950 -0.778 1
1 306 . 20 1 1 A 35 35 HIS HA H 35 4.721 4.279 0.442 1
1 311 . 20 1 1 A 35 35 HIS C C 35 175.730 176.156 -0.426 1
1 312 . 20 1 1 A 35 35 HIS CA C 35 55.788 59.917 -4.129 1
1 313 . 20 1 1 A 35 35 HIS CB C 35 28.787 29.846 -1.059 1
1 316 . 20 1 1 A 35 35 HIS N N 35 115.314 118.712 -3.398 1
1 317 . 20 1 1 A 36 36 SER H H 36 7.773 7.428 0.345 1
1 318 . 20 1 1 A 36 36 SER HA H 36 4.410 4.377 0.033 1
1 321 . 20 1 1 A 36 36 SER C C 36 175.092 175.109 -0.017 1
1 322 . 20 1 1 A 36 36 SER CA C 36 59.320 58.352 0.968 1
1 323 . 20 1 1 A 36 36 SER CB C 36 63.614 63.069 0.545 1
1 324 . 20 1 1 A 36 36 SER N N 36 114.851 111.492 3.359 1
1 325 . 20 1 1 A 37 37 ARG H H 37 8.264 7.897 0.367 1
1 326 . 20 1 1 A 37 37 ARG HA H 37 4.340 4.126 0.214 1
1 333 . 20 1 1 A 37 37 ARG C C 37 176.804 177.973 -1.169 1
1 334 . 20 1 1 A 37 37 ARG CA C 37 56.665 58.764 -2.099 1
1 335 . 20 1 1 A 37 37 ARG CB C 37 30.544 30.345 0.199 1
1 338 . 20 1 1 A 37 37 ARG N N 37 122.680 121.425 1.255 1
1 339 . 20 1 1 A 38 38 GLU H H 38 8.236 8.255 -0.019 1
1 340 . 20 1 1 A 38 38 GLU HA H 38 4.242 4.436 -0.194 1
1 345 . 20 1 1 A 38 38 GLU C C 38 176.807 176.423 0.384 1
1 346 . 20 1 1 A 38 38 GLU CA C 38 56.861 57.924 -1.063 1
1 347 . 20 1 1 A 38 38 GLU CB C 38 30.121 30.638 -0.517 1
1 349 . 20 1 1 A 38 38 GLU N N 38 120.831 116.261 4.570 1
1 350 . 20 1 1 A 39 39 LYS H H 39 8.214 7.679 0.535 1
1 351 . 20 1 1 A 39 39 LYS HA H 39 4.337 4.146 0.191 1
1 360 . 20 1 1 A 39 39 LYS C C 39 176.749 175.759 0.990 1
1 361 . 20 1 1 A 39 39 LYS CA C 39 56.498 56.966 -0.468 1
1 362 . 20 1 1 A 39 39 LYS CB C 39 32.926 33.239 -0.313 1
1 366 . 20 1 1 A 39 39 LYS N N 39 121.436 122.192 -0.756 1
1 367 . 20 1 1 A 40 40 SER H H 40 8.282 8.759 -0.477 1
1 368 . 20 1 1 A 40 40 SER HA H 40 4.471 4.808 -0.337 1
1 371 . 20 1 1 A 40 40 SER C C 40 174.618 173.407 1.211 1
1 372 . 20 1 1 A 40 40 SER CA C 40 58.313 58.241 0.072 1
1 373 . 20 1 1 A 40 40 SER CB C 40 63.713 64.036 -0.323 1
1 374 . 20 1 1 A 40 40 SER N N 40 116.652 120.557 -3.905 1
1 375 . 20 1 1 A 41 41 SER H H 41 8.315 8.617 -0.302 1
1 376 . 20 1 1 A 41 41 SER HA H 41 4.505 4.825 -0.320 1
1 379 . 20 1 1 A 41 41 SER C C 41 174.491 174.337 0.154 1
1 380 . 20 1 1 A 41 41 SER CA C 41 58.298 57.448 0.850 1
1 381 . 20 1 1 A 41 41 SER CB C 41 63.977 64.915 -0.938 1
1 382 . 20 1 1 A 41 41 SER N N 41 117.808 120.721 -2.913 1
1 383 . 20 1 1 A 42 42 GLY H H 42 8.209 8.850 -0.641 1
1 384 . 20 1 1 A 42 42 GLY HA2 H 42 4.137 4.103 0.034 1
1 385 . 20 1 1 A 42 42 GLY HA3 H 42 4.137 4.103 0.034 1
1 386 . 20 1 1 A 42 42 GLY C C 42 171.766 173.542 -1.776 1
1 387 . 20 1 1 A 42 42 GLY CA C 42 44.693 44.410 0.283 1
1 388 . 20 1 1 A 42 42 GLY N N 42 110.577 117.329 -6.752 1
1 389 . 20 1 1 A 43 43 PRO HA H 43 4.477 4.716 -0.239 1
1 396 . 20 1 1 A 43 43 PRO C C 43 177.379 177.045 0.334 1
1 397 . 20 1 1 A 43 43 PRO CA C 43 63.211 62.765 0.446 1
1 398 . 20 1 1 A 43 43 PRO CB C 43 32.181 31.576 0.605 1
1 401 . 20 1 1 A 44 44 SER H H 44 8.517 8.665 -0.148 1
1 402 . 20 1 1 A 44 44 SER C C 44 174.661 174.795 -0.134 1
1 403 . 20 1 1 A 44 44 SER CA C 44 58.543 57.844 0.699 1
1 404 . 20 1 1 A 44 44 SER CB C 44 64.118 64.887 -0.769 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 28 1.153 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.220 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.360 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.617 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.326 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.951 1
7 1 2 1 "RMS(OBS, PRED)" C 28 0.770 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.314 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.313 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.572 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.332 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.937 1
13 1 3 1 "RMS(OBS, PRED)" C 28 1.183 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.395 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.426 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.653 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.380 1
18 1 3 1 "RMS(OBS, PRED)" N 32 3.152 1
19 1 4 1 "RMS(OBS, PRED)" C 28 0.755 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.537 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.540 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.581 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.362 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.873 1
25 1 5 1 "RMS(OBS, PRED)" C 28 0.985 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.458 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.109 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.648 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.320 1
30 1 5 1 "RMS(OBS, PRED)" N 32 3.470 1
31 1 6 1 "RMS(OBS, PRED)" C 28 1.257 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.270 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.697 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.514 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.359 1
36 1 6 1 "RMS(OBS, PRED)" N 32 3.005 1
37 1 7 1 "RMS(OBS, PRED)" C 28 0.793 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.319 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.407 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.588 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.352 1
42 1 7 1 "RMS(OBS, PRED)" N 32 3.248 1
43 1 8 1 "RMS(OBS, PRED)" C 28 1.204 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.448 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.281 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.562 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.358 1
48 1 8 1 "RMS(OBS, PRED)" N 32 3.343 1
49 1 9 1 "RMS(OBS, PRED)" C 28 0.973 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.326 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.270 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.540 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.335 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.799 1
55 1 10 1 "RMS(OBS, PRED)" C 28 1.045 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.489 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.438 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.588 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.348 1
60 1 10 1 "RMS(OBS, PRED)" N 32 3.126 1
61 1 11 1 "RMS(OBS, PRED)" C 28 1.059 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.515 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.364 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.578 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.363 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.969 1
67 1 12 1 "RMS(OBS, PRED)" C 28 1.224 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.308 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.532 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.529 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.367 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.641 1
73 1 13 1 "RMS(OBS, PRED)" C 28 0.891 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.499 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.487 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.617 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.352 1
78 1 13 1 "RMS(OBS, PRED)" N 32 3.212 1
79 1 14 1 "RMS(OBS, PRED)" C 28 1.174 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.261 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.254 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.606 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.341 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.905 1
85 1 15 1 "RMS(OBS, PRED)" C 28 0.944 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.317 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.260 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.661 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.307 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.968 1
91 1 16 1 "RMS(OBS, PRED)" C 28 1.133 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.705 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.321 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.546 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.342 1
96 1 16 1 "RMS(OBS, PRED)" N 32 3.138 1
97 1 17 1 "RMS(OBS, PRED)" C 28 0.896 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.409 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.200 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.549 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.354 1
102 1 17 1 "RMS(OBS, PRED)" N 32 3.135 1
103 1 18 1 "RMS(OBS, PRED)" C 28 1.232 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.485 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.408 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.592 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.349 1
108 1 18 1 "RMS(OBS, PRED)" N 32 2.890 1
109 1 19 1 "RMS(OBS, PRED)" C 28 1.054 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.374 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.184 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.592 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.348 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.903 1
115 1 20 1 "RMS(OBS, PRED)" C 28 1.023 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.351 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.133 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.554 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.320 1
120 1 20 1 "RMS(OBS, PRED)" N 32 3.215 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 SER HA H 8 4.438 4.780 -0.342 2
1 4 . 1 1 A 8 8 SER CA C 8 58.600 57.823 0.777 2
1 5 . 1 1 A 8 8 SER CB C 8 63.792 64.160 -0.368 2
1 6 . 1 1 A 9 9 GLY H H 9 8.454 8.028 0.426 2
1 7 . 1 1 A 9 9 GLY HA2 H 9 3.938 4.119 -0.181 2
1 8 . 1 1 A 9 9 GLY HA3 H 9 3.938 4.125 -0.187 2
1 9 . 1 1 A 9 9 GLY CA C 9 45.227 45.486 -0.259 2
1 10 . 1 1 A 9 9 GLY N N 9 110.842 110.860 -0.018 2
1 11 . 1 1 A 10 10 GLU H H 10 8.211 8.550 -0.339 2
1 12 . 1 1 A 10 10 GLU HA H 10 4.206 4.565 -0.359 2
1 17 . 1 1 A 10 10 GLU CA C 10 56.709 56.220 0.489 2
1 18 . 1 1 A 10 10 GLU CB C 10 30.317 30.171 0.147 2
1 20 . 1 1 A 10 10 GLU N N 10 120.029 121.952 -1.923 2
1 21 . 1 1 A 11 11 ARG HA H 11 4.425 4.653 -0.228 2
1 28 . 1 1 A 11 11 ARG CA C 11 53.417 53.851 -0.434 2
1 29 . 1 1 A 11 11 ARG CB C 11 29.953 30.699 -0.746 2
1 32 . 1 1 A 11 11 ARG N N 11 117.766 122.524 -4.758 2
1 33 . 1 1 A 12 12 PRO HA H 12 4.203 4.407 -0.204 2
1 40 . 1 1 A 12 12 PRO C C 12 176.483 176.314 0.169 2
1 41 . 1 1 A 12 12 PRO CA C 12 63.898 64.879 -0.981 2
1 42 . 1 1 A 12 12 PRO CB C 12 32.127 32.338 -0.211 2
1 45 . 1 1 A 13 13 PHE H H 13 7.791 7.480 0.311 2
1 46 . 1 1 A 13 13 PHE HA H 13 4.757 5.275 -0.518 2
1 54 . 1 1 A 13 13 PHE C C 13 174.511 174.444 0.067 2
1 55 . 1 1 A 13 13 PHE CA C 13 56.893 56.420 0.473 2
1 56 . 1 1 A 13 13 PHE CB C 13 39.090 42.712 -3.622 2
1 62 . 1 1 A 13 13 PHE N N 13 118.173 118.060 0.113 2
1 63 . 1 1 A 14 14 LYS H H 14 8.611 8.782 -0.171 2
1 64 . 1 1 A 14 14 LYS HA H 14 5.071 4.966 0.105 2
1 73 . 1 1 A 14 14 LYS C C 14 175.322 174.164 1.158 2
1 74 . 1 1 A 14 14 LYS CA C 14 55.006 55.704 -0.698 2
1 75 . 1 1 A 14 14 LYS CB C 14 35.258 36.888 -1.630 2
1 79 . 1 1 A 14 14 LYS N N 14 124.455 120.424 4.031 2
1 80 . 1 1 A 15 15 CYS H H 15 9.115 9.112 0.003 2
1 81 . 1 1 A 15 15 CYS HA H 15 4.549 4.905 -0.356 2
1 84 . 1 1 A 15 15 CYS C C 15 177.457 175.664 1.793 2
1 85 . 1 1 A 15 15 CYS CA C 15 59.450 57.923 1.527 2
1 86 . 1 1 A 15 15 CYS CB C 15 29.959 29.898 0.061 2
1 87 . 1 1 A 15 15 CYS N N 15 125.796 124.008 1.788 2
1 88 . 1 1 A 16 16 ASN H H 16 9.439 9.221 0.218 2
1 89 . 1 1 A 16 16 ASN HA H 16 4.552 4.796 -0.244 2
1 94 . 1 1 A 16 16 ASN C C 16 175.327 176.741 -1.414 2
1 95 . 1 1 A 16 16 ASN CA C 16 55.429 54.346 1.083 2
1 96 . 1 1 A 16 16 ASN CB C 16 38.518 38.740 -0.222 2
1 97 . 1 1 A 16 16 ASN N N 16 130.041 126.513 3.528 2
1 99 . 1 1 A 17 17 GLU H H 17 9.013 7.744 1.269 2
1 100 . 1 1 A 17 17 GLU HA H 17 4.244 4.133 0.111 2
1 105 . 1 1 A 17 17 GLU C C 17 177.345 178.140 -0.795 2
1 106 . 1 1 A 17 17 GLU CA C 17 58.195 58.258 -0.063 2
1 107 . 1 1 A 17 17 GLU CB C 17 29.394 29.588 -0.194 2
1 109 . 1 1 A 17 17 GLU N N 17 121.584 119.322 2.262 2
1 110 . 1 1 A 18 18 CYS H H 18 8.410 7.647 0.763 2
1 111 . 1 1 A 18 18 CYS HA H 18 5.193 4.717 0.476 2
1 114 . 1 1 A 18 18 CYS C C 18 176.413 175.487 0.926 2
1 115 . 1 1 A 18 18 CYS CA C 18 58.391 59.706 -1.315 2
1 116 . 1 1 A 18 18 CYS CB C 18 32.346 29.963 2.383 2
1 117 . 1 1 A 18 18 CYS N N 18 116.182 114.851 1.331 2
1 118 . 1 1 A 19 19 GLY H H 19 8.045 8.017 0.028 2
1 119 . 1 1 A 19 19 GLY HA2 H 19 4.260 4.099 0.161 2
1 120 . 1 1 A 19 19 GLY HA3 H 19 3.829 4.108 -0.279 2
1 121 . 1 1 A 19 19 GLY C C 19 173.661 174.578 -0.917 2
1 122 . 1 1 A 19 19 GLY CA C 19 46.298 45.016 1.282 2
1 123 . 1 1 A 19 19 GLY N N 19 113.361 109.833 3.528 2
1 124 . 1 1 A 20 20 LYS H H 20 7.930 7.741 0.189 2
1 125 . 1 1 A 20 20 LYS HA H 20 3.967 4.314 -0.347 2
1 134 . 1 1 A 20 20 LYS C C 20 174.605 175.661 -1.056 2
1 135 . 1 1 A 20 20 LYS CA C 20 58.241 55.930 2.311 2
1 136 . 1 1 A 20 20 LYS CB C 20 33.836 33.401 0.435 2
1 140 . 1 1 A 20 20 LYS N N 20 123.055 122.209 0.846 2
1 141 . 1 1 A 21 21 GLY H H 21 8.013 8.288 -0.275 2
1 142 . 1 1 A 21 21 GLY HA2 H 21 4.880 4.277 0.603 2
1 143 . 1 1 A 21 21 GLY HA3 H 21 3.336 4.415 -1.079 2
1 144 . 1 1 A 21 21 GLY CA C 21 44.008 44.086 -0.078 2
1 145 . 1 1 A 21 21 GLY N N 21 108.426 111.653 -3.227 2
1 146 . 1 1 A 22 22 PHE H H 22 8.731 8.877 -0.146 2
1 147 . 1 1 A 22 22 PHE HA H 22 4.731 5.131 -0.400 2
1 155 . 1 1 A 22 22 PHE CA C 22 57.510 56.526 0.984 2
1 156 . 1 1 A 22 22 PHE CB C 22 44.105 43.610 0.495 2
1 162 . 1 1 A 22 22 PHE N N 22 117.792 120.926 -3.134 2
1 163 . 1 1 A 23 23 GLY HA2 H 23 4.454 3.943 0.511 2
1 164 . 1 1 A 23 23 GLY HA3 H 23 4.094 3.973 0.122 2
1 165 . 1 1 A 23 23 GLY CA C 23 45.710 46.807 -1.097 2
1 166 . 1 1 A 23 23 GLY N N 23 109.000 110.507 -1.507 2
1 167 . 1 1 A 24 24 ARG H H 24 7.197 7.676 -0.479 2
1 168 . 1 1 A 24 24 ARG HA H 24 4.743 4.512 0.231 2
1 175 . 1 1 A 24 24 ARG CA C 24 53.655 54.398 -0.743 2
1 176 . 1 1 A 24 24 ARG CB C 24 33.460 31.759 1.701 2
1 179 . 1 1 A 24 24 ARG N N 24 114.927 120.001 -5.074 2
1 180 . 1 1 A 25 25 ARG HA H 25 2.980 2.765 0.215 2
1 187 . 1 1 A 25 25 ARG CA C 25 59.693 59.208 0.485 2
1 188 . 1 1 A 25 25 ARG CB C 25 29.253 29.871 -0.618 2
1 191 . 1 1 A 26 26 SER HA H 26 4.092 4.121 -0.029 2
1 194 . 1 1 A 26 26 SER C C 26 177.471 177.019 0.452 2
1 195 . 1 1 A 26 26 SER CA C 26 60.832 61.254 -0.422 2
1 196 . 1 1 A 26 26 SER CB C 26 61.616 62.781 -1.165 2
1 197 . 1 1 A 26 26 SER N N 26 120.568 114.294 6.274 2
1 198 . 1 1 A 27 27 HIS H H 27 6.799 7.637 -0.838 2
1 199 . 1 1 A 27 27 HIS HA H 27 4.556 4.246 0.310 2
1 204 . 1 1 A 27 27 HIS C C 27 178.281 177.529 0.752 2
1 205 . 1 1 A 27 27 HIS CA C 27 56.589 59.191 -2.603 2
1 206 . 1 1 A 27 27 HIS CB C 27 31.722 29.705 2.017 2
1 209 . 1 1 A 27 27 HIS N N 27 122.717 119.095 3.622 2
1 210 . 1 1 A 28 28 LEU H H 28 7.026 7.755 -0.729 2
1 211 . 1 1 A 28 28 LEU HA H 28 3.249 2.688 0.561 2
1 221 . 1 1 A 28 28 LEU C C 28 177.146 177.742 -0.596 2
1 222 . 1 1 A 28 28 LEU CA C 28 57.742 56.875 0.867 2
1 223 . 1 1 A 28 28 LEU CB C 28 40.422 41.928 -1.506 2
1 227 . 1 1 A 28 28 LEU N N 28 121.528 120.579 0.949 2
1 228 . 1 1 A 29 29 ALA H H 29 8.188 8.389 -0.201 2
1 229 . 1 1 A 29 29 ALA HA H 29 3.979 4.012 -0.033 2
1 233 . 1 1 A 29 29 ALA C C 29 180.981 180.297 0.684 2
1 234 . 1 1 A 29 29 ALA CA C 29 55.545 55.460 0.085 2
1 235 . 1 1 A 29 29 ALA CB C 29 17.763 18.332 -0.569 2
1 236 . 1 1 A 29 29 ALA N N 29 120.526 120.530 -0.004 2
1 237 . 1 1 A 30 30 GLY H H 30 7.724 7.926 -0.203 2
1 238 . 1 1 A 30 30 GLY HA2 H 30 3.886 3.575 0.311 2
1 239 . 1 1 A 30 30 GLY HA3 H 30 3.785 3.597 0.188 2
1 240 . 1 1 A 30 30 GLY C C 30 175.878 175.643 0.235 2
1 241 . 1 1 A 30 30 GLY CA C 30 46.909 47.065 -0.156 2
1 242 . 1 1 A 30 30 GLY N N 30 103.375 106.106 -2.731 2
1 243 . 1 1 A 31 31 HIS H H 31 7.499 8.271 -0.772 2
1 244 . 1 1 A 31 31 HIS HA H 31 4.195 4.098 0.097 2
1 249 . 1 1 A 31 31 HIS C C 31 176.680 176.496 0.184 2
1 250 . 1 1 A 31 31 HIS CA C 31 59.232 59.134 0.098 2
1 251 . 1 1 A 31 31 HIS CB C 31 28.775 30.028 -1.253 2
1 254 . 1 1 A 31 31 HIS N N 31 122.268 121.814 0.454 2
1 255 . 1 1 A 32 32 LEU H H 32 8.464 7.311 1.153 2
1 256 . 1 1 A 32 32 LEU HA H 32 3.900 4.278 -0.378 2
1 266 . 1 1 A 32 32 LEU C C 32 179.964 178.559 1.405 2
1 267 . 1 1 A 32 32 LEU CA C 32 58.183 56.326 1.857 2
1 268 . 1 1 A 32 32 LEU CB C 32 41.777 42.257 -0.480 2
1 272 . 1 1 A 32 32 LEU N N 32 118.124 118.733 -0.609 2
1 273 . 1 1 A 33 33 ARG H H 33 7.236 7.961 -0.725 2
1 274 . 1 1 A 33 33 ARG HA H 33 4.097 4.001 0.096 2
1 281 . 1 1 A 33 33 ARG C C 33 178.375 178.741 -0.366 2
1 282 . 1 1 A 33 33 ARG CA C 33 58.637 59.512 -0.875 2
1 283 . 1 1 A 33 33 ARG CB C 33 29.760 29.964 -0.204 2
1 286 . 1 1 A 33 33 ARG N N 33 117.491 119.487 -1.996 2
1 287 . 1 1 A 34 34 LEU H H 34 7.702 7.467 0.235 2
1 288 . 1 1 A 34 34 LEU HA H 34 4.031 4.001 0.030 2
1 298 . 1 1 A 34 34 LEU C C 34 178.952 178.788 0.164 2
1 299 . 1 1 A 34 34 LEU CA C 34 56.816 57.517 -0.701 2
1 300 . 1 1 A 34 34 LEU CB C 34 40.886 41.006 -0.120 2
1 304 . 1 1 A 34 34 LEU N N 34 118.773 117.753 1.020 2
1 305 . 1 1 A 35 35 HIS H H 35 7.172 7.897 -0.725 2
1 306 . 1 1 A 35 35 HIS HA H 35 4.721 4.316 0.406 2
1 311 . 1 1 A 35 35 HIS C C 35 175.730 176.721 -0.991 2
1 312 . 1 1 A 35 35 HIS CA C 35 55.788 59.459 -3.671 2
1 313 . 1 1 A 35 35 HIS CB C 35 28.787 29.687 -0.900 2
1 316 . 1 1 A 35 35 HIS N N 35 115.314 118.627 -3.313 2
1 317 . 1 1 A 36 36 SER H H 36 7.773 7.646 0.127 2
1 318 . 1 1 A 36 36 SER HA H 36 4.410 4.449 -0.039 2
1 321 . 1 1 A 36 36 SER C C 36 175.092 175.290 -0.198 2
1 322 . 1 1 A 36 36 SER CA C 36 59.320 59.318 0.002 2
1 323 . 1 1 A 36 36 SER CB C 36 63.614 63.158 0.456 2
1 324 . 1 1 A 36 36 SER N N 36 114.851 113.396 1.455 2
1 325 . 1 1 A 37 37 ARG H H 37 8.264 7.764 0.500 2
1 326 . 1 1 A 37 37 ARG HA H 37 4.340 4.257 0.083 2
1 333 . 1 1 A 37 37 ARG C C 37 176.804 176.997 -0.193 2
1 334 . 1 1 A 37 37 ARG CA C 37 56.665 57.802 -1.137 2
1 335 . 1 1 A 37 37 ARG CB C 37 30.544 30.745 -0.201 2
1 338 . 1 1 A 37 37 ARG N N 37 122.680 120.877 1.803 2
1 339 . 1 1 A 38 38 GLU H H 38 8.236 8.127 0.109 2
1 340 . 1 1 A 38 38 GLU HA H 38 4.242 4.338 -0.096 2
1 345 . 1 1 A 38 38 GLU C C 38 176.807 176.139 0.668 2
1 346 . 1 1 A 38 38 GLU CA C 38 56.861 56.510 0.351 2
1 347 . 1 1 A 38 38 GLU CB C 38 30.121 29.562 0.559 2
1 349 . 1 1 A 38 38 GLU N N 38 120.831 118.494 2.337 2
1 350 . 1 1 A 39 39 LYS H H 39 8.214 7.822 0.392 2
1 351 . 1 1 A 39 39 LYS HA H 39 4.337 4.469 -0.132 2
1 360 . 1 1 A 39 39 LYS C C 39 176.749 176.535 0.214 2
1 361 . 1 1 A 39 39 LYS CA C 39 56.498 56.544 -0.046 2
1 362 . 1 1 A 39 39 LYS CB C 39 32.926 33.945 -1.019 2
1 366 . 1 1 A 39 39 LYS N N 39 121.436 121.443 -0.007 2
1 367 . 1 1 A 40 40 SER H H 40 8.282 8.565 -0.283 2
1 368 . 1 1 A 40 40 SER HA H 40 4.471 4.492 -0.021 2
1 371 . 1 1 A 40 40 SER C C 40 174.618 174.190 0.428 2
1 372 . 1 1 A 40 40 SER CA C 40 58.313 58.810 -0.497 2
1 373 . 1 1 A 40 40 SER CB C 40 63.713 63.676 0.037 2
1 374 . 1 1 A 40 40 SER N N 40 116.652 118.309 -1.657 2
1 375 . 1 1 A 41 41 SER H H 41 8.315 8.356 -0.041 2
1 376 . 1 1 A 41 41 SER HA H 41 4.505 4.605 -0.100 2
1 379 . 1 1 A 41 41 SER C C 41 174.491 174.337 0.155 2
1 380 . 1 1 A 41 41 SER CA C 41 58.298 58.713 -0.415 2
1 381 . 1 1 A 41 41 SER CB C 41 63.977 63.864 0.112 2
1 382 . 1 1 A 41 41 SER N N 41 117.808 117.978 -0.170 2
1 383 . 1 1 A 42 42 GLY H H 42 8.209 8.368 -0.159 2
1 384 . 1 1 A 42 42 GLY HA2 H 42 4.137 4.116 0.021 2
1 385 . 1 1 A 42 42 GLY HA3 H 42 4.137 4.117 0.020 2
1 386 . 1 1 A 42 42 GLY C C 42 171.766 173.323 -1.557 2
1 387 . 1 1 A 42 42 GLY CA C 42 44.693 45.003 -0.310 2
1 388 . 1 1 A 42 42 GLY N N 42 110.577 111.214 -0.637 2
1 389 . 1 1 A 43 43 PRO HA H 43 4.477 4.613 -0.136 2
1 396 . 1 1 A 43 43 PRO C C 43 177.379 176.353 1.025 2
1 397 . 1 1 A 43 43 PRO CA C 43 63.211 62.898 0.313 2
1 398 . 1 1 A 43 43 PRO CB C 43 32.181 31.891 0.290 2
1 401 . 1 1 A 44 44 SER H H 44 8.517 8.436 0.081 2
1 402 . 1 1 A 44 44 SER C C 44 174.661 174.034 0.627 2
1 403 . 1 1 A 44 44 SER CA C 44 58.543 58.593 -0.050 2
1 404 . 1 1 A 44 44 SER CB C 44 64.118 64.163 -0.045 2
stop_
save_