data_10174_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10174
_Entry.PDB_ID 2ENF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.463 44.925 0.538 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.028 4.150 -0.122 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.028 4.152 -0.124 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.552 172.895 1.657 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.866 119.263 -6.397 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.147 8.644 -0.497 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.817 60.856 0.961 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.339 4.670 -0.331 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.759 70.996 -1.237 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.264 174.877 0.387 1
1 16 . 1 1 1 A 9 9 GLY N N 9 111.067 115.339 -4.272 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.443 8.594 -0.151 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.274 45.707 -0.433 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.943 3.960 -0.017 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.943 3.960 -0.017 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.030 173.466 0.564 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.578 124.421 -3.843 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.208 8.423 -0.215 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.472 54.786 1.686 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.219 4.890 -0.671 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.440 32.418 -1.978 1
1 31 . 1 1 1 A 10 10 GLU C C 10 176.263 175.733 0.530 1
1 32 . 1 1 1 A 11 11 LYS N N 11 123.011 126.601 -3.590 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.294 8.569 -0.275 1
1 34 . 1 1 1 A 11 11 LYS CA C 11 53.808 54.939 -1.131 1
1 35 . 1 1 1 A 11 11 LYS HA H 11 4.507 4.245 0.262 1
1 36 . 1 1 1 A 11 11 LYS CB C 11 32.578 31.809 0.769 1
1 48 . 1 1 1 A 11 11 LYS C C 11 174.019 176.501 -2.482 1
1 49 . 1 1 1 A 12 12 PRO CA C 12 62.899 64.100 -1.201 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.290 4.360 -0.070 1
1 51 . 1 1 1 A 12 12 PRO CB C 12 32.252 31.228 1.024 1
1 60 . 1 1 1 A 12 12 PRO C C 12 176.475 175.906 0.569 1
1 61 . 1 1 1 A 13 13 TYR N N 13 119.889 118.506 1.383 1
1 62 . 1 1 1 A 13 13 TYR H H 13 8.093 7.463 0.630 1
1 63 . 1 1 1 A 13 13 TYR CA C 13 57.162 56.599 0.563 1
1 64 . 1 1 1 A 13 13 TYR HA H 13 4.587 5.232 -0.645 1
1 65 . 1 1 1 A 13 13 TYR CB C 13 38.013 39.845 -1.832 1
1 76 . 1 1 1 A 13 13 TYR C C 13 174.036 174.231 -0.195 1
1 77 . 1 1 1 A 14 14 LYS N N 14 124.683 125.245 -0.562 1
1 78 . 1 1 1 A 14 14 LYS H H 14 8.350 8.973 -0.623 1
1 79 . 1 1 1 A 14 14 LYS CA C 14 54.699 54.361 0.338 1
1 80 . 1 1 1 A 14 14 LYS HA H 14 5.082 5.504 -0.422 1
1 81 . 1 1 1 A 14 14 LYS CB C 14 36.077 36.235 -0.158 1
1 93 . 1 1 1 A 14 14 LYS C C 14 175.154 174.259 0.895 1
1 94 . 1 1 1 A 15 15 CYS N N 15 127.993 123.810 4.183 1
1 95 . 1 1 1 A 15 15 CYS H H 15 9.322 9.313 0.009 1
1 96 . 1 1 1 A 15 15 CYS CA C 15 59.441 58.704 0.737 1
1 97 . 1 1 1 A 15 15 CYS HA H 15 4.526 4.788 -0.262 1
1 98 . 1 1 1 A 15 15 CYS CB C 15 29.639 29.398 0.241 1
1 101 . 1 1 1 A 15 15 CYS C C 15 176.800 175.465 1.335 1
1 102 . 1 1 1 A 16 16 ASN CA C 16 55.581 54.915 0.666 1
1 103 . 1 1 1 A 16 16 ASN HA H 16 4.498 4.604 -0.106 1
1 104 . 1 1 1 A 16 16 ASN CB C 16 38.278 38.601 -0.323 1
1 110 . 1 1 1 A 16 16 ASN C C 16 175.404 177.286 -1.882 1
1 111 . 1 1 1 A 17 17 GLU N N 17 120.838 118.638 2.200 1
1 112 . 1 1 1 A 17 17 GLU H H 17 8.709 7.659 1.050 1
1 113 . 1 1 1 A 17 17 GLU CA C 17 58.732 58.921 -0.189 1
1 114 . 1 1 1 A 17 17 GLU HA H 17 4.180 3.950 0.230 1
1 115 . 1 1 1 A 17 17 GLU CB C 17 29.321 28.289 1.032 1
1 121 . 1 1 1 A 17 17 GLU C C 17 177.142 178.165 -1.023 1
1 122 . 1 1 1 A 18 18 CYS N N 18 114.657 115.111 -0.454 1
1 123 . 1 1 1 A 18 18 CYS H H 18 7.916 7.302 0.614 1
1 124 . 1 1 1 A 18 18 CYS CA C 18 58.276 59.702 -1.426 1
1 125 . 1 1 1 A 18 18 CYS HA H 18 5.140 4.695 0.445 1
1 126 . 1 1 1 A 18 18 CYS CB C 18 32.360 29.921 2.439 1
1 129 . 1 1 1 A 18 18 CYS C C 18 176.225 175.272 0.953 1
1 130 . 1 1 1 A 19 19 GLY N N 19 113.624 108.896 4.728 1
1 131 . 1 1 1 A 19 19 GLY H H 19 8.162 8.212 -0.050 1
1 132 . 1 1 1 A 19 19 GLY CA C 19 46.220 46.012 0.208 1
1 133 . 1 1 1 A 19 19 GLY HA2 H 19 3.703 4.031 -0.328 1
1 134 . 1 1 1 A 19 19 GLY HA3 H 19 4.211 4.038 0.173 1
1 135 . 1 1 1 A 19 19 GLY C C 19 173.525 174.070 -0.545 1
1 136 . 1 1 1 A 20 20 LYS N N 20 122.667 119.581 3.086 1
1 137 . 1 1 1 A 20 20 LYS H H 20 7.889 7.820 0.069 1
1 138 . 1 1 1 A 20 20 LYS CA C 20 58.257 54.143 4.114 1
1 139 . 1 1 1 A 20 20 LYS HA H 20 3.946 4.772 -0.826 1
1 140 . 1 1 1 A 20 20 LYS CB C 20 33.797 36.355 -2.558 1
1 152 . 1 1 1 A 20 20 LYS C C 20 174.228 174.803 -0.575 1
1 153 . 1 1 1 A 21 21 VAL N N 21 117.585 117.803 -0.218 1
1 154 . 1 1 1 A 21 21 VAL H H 21 7.598 8.564 -0.966 1
1 155 . 1 1 1 A 21 21 VAL CA C 21 60.474 59.758 0.716 1
1 156 . 1 1 1 A 21 21 VAL HA H 21 4.740 5.432 -0.692 1
1 157 . 1 1 1 A 21 21 VAL CB C 21 33.927 34.509 -0.582 1
1 167 . 1 1 1 A 21 21 VAL C C 21 175.205 174.173 1.032 1
1 168 . 1 1 1 A 22 22 PHE N N 22 121.649 119.295 2.354 1
1 169 . 1 1 1 A 22 22 PHE H H 22 8.733 8.270 0.463 1
1 170 . 1 1 1 A 22 22 PHE CA C 22 56.779 56.680 0.099 1
1 171 . 1 1 1 A 22 22 PHE HA H 22 4.897 4.912 -0.015 1
1 172 . 1 1 1 A 22 22 PHE CB C 22 43.417 43.277 0.140 1
1 185 . 1 1 1 A 22 22 PHE C C 22 175.652 175.576 0.076 1
1 186 . 1 1 1 A 23 23 THR N N 23 111.274 116.965 -5.691 1
1 187 . 1 1 1 A 23 23 THR H H 23 9.494 8.736 0.758 1
1 188 . 1 1 1 A 23 23 THR CA C 23 63.213 64.044 -0.831 1
1 189 . 1 1 1 A 23 23 THR HA H 23 4.528 4.213 0.315 1
1 190 . 1 1 1 A 23 23 THR CB C 23 69.708 69.568 0.140 1
1 196 . 1 1 1 A 23 23 THR C C 23 174.881 173.673 1.208 1
1 197 . 1 1 1 A 24 24 GLN N N 24 115.450 119.635 -4.185 1
1 198 . 1 1 1 A 24 24 GLN H H 24 7.058 7.859 -0.801 1
1 199 . 1 1 1 A 24 24 GLN CA C 24 53.963 54.066 -0.103 1
1 200 . 1 1 1 A 24 24 GLN HA H 24 4.452 4.790 -0.338 1
1 201 . 1 1 1 A 24 24 GLN CB C 24 31.851 31.634 0.217 1
1 210 . 1 1 1 A 24 24 GLN C C 24 175.682 175.615 0.067 1
1 211 . 1 1 1 A 25 25 ASN CA C 25 56.596 56.284 0.312 1
1 212 . 1 1 1 A 25 25 ASN HA H 25 3.560 4.000 -0.440 1
1 213 . 1 1 1 A 25 25 ASN CB C 25 38.675 38.365 0.310 1
1 219 . 1 1 1 A 26 26 SER CA C 26 61.163 62.339 -1.176 1
1 220 . 1 1 1 A 26 26 SER HA H 26 3.881 4.027 -0.146 1
1 221 . 1 1 1 A 26 26 SER CB C 26 61.444 62.642 -1.198 1
1 224 . 1 1 1 A 26 26 SER C C 26 177.103 176.486 0.617 1
1 225 . 1 1 1 A 27 27 HIS N N 27 120.980 119.396 1.584 1
1 226 . 1 1 1 A 27 27 HIS H H 27 6.699 7.967 -1.268 1
1 227 . 1 1 1 A 27 27 HIS CA C 27 56.939 58.820 -1.881 1
1 228 . 1 1 1 A 27 27 HIS HA H 27 4.344 4.184 0.160 1
1 229 . 1 1 1 A 27 27 HIS CB C 27 31.831 30.128 1.703 1
1 236 . 1 1 1 A 27 27 HIS C C 27 177.849 177.194 0.655 1
1 237 . 1 1 1 A 28 28 LEU N N 28 122.679 120.190 2.489 1
1 238 . 1 1 1 A 28 28 LEU H H 28 6.876 7.410 -0.534 1
1 239 . 1 1 1 A 28 28 LEU CA C 28 57.700 57.852 -0.152 1
1 240 . 1 1 1 A 28 28 LEU HA H 28 3.175 2.431 0.744 1
1 241 . 1 1 1 A 28 28 LEU CB C 28 40.513 41.495 -0.982 1
1 254 . 1 1 1 A 28 28 LEU C C 28 177.396 178.244 -0.848 1
1 255 . 1 1 1 A 29 29 VAL N N 29 119.083 119.334 -0.251 1
1 256 . 1 1 1 A 29 29 VAL H H 29 8.251 7.788 0.463 1
1 257 . 1 1 1 A 29 29 VAL CA C 29 66.791 67.047 -0.256 1
1 258 . 1 1 1 A 29 29 VAL HA H 29 3.372 3.409 -0.037 1
1 259 . 1 1 1 A 29 29 VAL CB C 29 31.749 31.395 0.354 1
1 269 . 1 1 1 A 29 29 VAL C C 29 178.979 177.735 1.244 1
1 270 . 1 1 1 A 30 30 ARG N N 30 118.008 119.013 -1.005 1
1 271 . 1 1 1 A 30 30 ARG H H 30 7.431 8.045 -0.614 1
1 272 . 1 1 1 A 30 30 ARG CA C 30 58.827 60.053 -1.226 1
1 273 . 1 1 1 A 30 30 ARG HA H 30 3.988 3.897 0.091 1
1 274 . 1 1 1 A 30 30 ARG CB C 30 30.154 29.850 0.304 1
1 283 . 1 1 1 A 30 30 ARG C C 30 178.629 178.860 -0.231 1
1 284 . 1 1 1 A 31 31 HIS N N 31 119.261 119.705 -0.444 1
1 285 . 1 1 1 A 31 31 HIS H H 31 7.645 7.696 -0.051 1
1 286 . 1 1 1 A 31 31 HIS CA C 31 58.859 59.917 -1.058 1
1 287 . 1 1 1 A 31 31 HIS HA H 31 4.182 4.198 -0.016 1
1 288 . 1 1 1 A 31 31 HIS CB C 31 28.757 29.526 -0.769 1
1 295 . 1 1 1 A 31 31 HIS C C 31 175.828 176.536 -0.708 1
1 296 . 1 1 1 A 32 32 ARG N N 32 115.529 117.423 -1.894 1
1 297 . 1 1 1 A 32 32 ARG H H 32 8.072 8.116 -0.044 1
1 298 . 1 1 1 A 32 32 ARG CA C 32 59.996 59.062 0.934 1
1 299 . 1 1 1 A 32 32 ARG HA H 32 3.724 3.997 -0.273 1
1 300 . 1 1 1 A 32 32 ARG CB C 32 29.913 30.212 -0.299 1
1 309 . 1 1 1 A 32 32 ARG C C 32 178.047 179.612 -1.565 1
1 310 . 1 1 1 A 33 33 GLY N N 33 105.489 107.479 -1.990 1
1 311 . 1 1 1 A 33 33 GLY H H 33 7.514 8.406 -0.892 1
1 312 . 1 1 1 A 33 33 GLY CA C 33 46.567 47.256 -0.689 1
1 313 . 1 1 1 A 33 33 GLY HA2 H 33 3.988 3.763 0.225 1
1 314 . 1 1 1 A 33 33 GLY HA3 H 33 3.867 3.780 0.087 1
1 315 . 1 1 1 A 33 33 GLY C C 33 175.858 176.063 -0.205 1
1 316 . 1 1 1 A 34 34 ILE N N 34 118.370 119.443 -1.073 1
1 317 . 1 1 1 A 34 34 ILE H H 34 7.808 8.238 -0.430 1
1 318 . 1 1 1 A 34 34 ILE CA C 34 62.704 64.298 -1.594 1
1 319 . 1 1 1 A 34 34 ILE HA H 34 4.015 3.698 0.317 1
1 320 . 1 1 1 A 34 34 ILE CB C 34 37.645 36.915 0.730 1
1 333 . 1 1 1 A 34 34 ILE C C 34 177.413 177.795 -0.382 1
1 334 . 1 1 1 A 35 35 HIS N N 35 117.927 119.223 -1.296 1
1 335 . 1 1 1 A 35 35 HIS H H 35 7.318 7.851 -0.533 1
1 336 . 1 1 1 A 35 35 HIS CA C 35 55.214 58.651 -3.437 1
1 337 . 1 1 1 A 35 35 HIS HA H 35 4.843 4.421 0.422 1
1 338 . 1 1 1 A 35 35 HIS CB C 35 28.625 31.120 -2.495 1
1 345 . 1 1 1 A 35 35 HIS C C 35 175.767 175.519 0.248 1
1 346 . 1 1 1 A 36 36 THR N N 36 111.953 110.207 1.746 1
1 347 . 1 1 1 A 36 36 THR H H 36 7.787 7.916 -0.129 1
1 348 . 1 1 1 A 36 36 THR CA C 36 62.359 63.192 -0.833 1
1 349 . 1 1 1 A 36 36 THR HA H 36 4.329 4.075 0.254 1
1 350 . 1 1 1 A 36 36 THR CB C 36 69.674 68.424 1.250 1
1 356 . 1 1 1 A 36 36 THR C C 36 175.402 174.911 0.491 1
1 357 . 1 1 1 A 37 37 GLY N N 37 110.854 113.732 -2.878 1
1 358 . 1 1 1 A 37 37 GLY H H 37 8.240 8.955 -0.715 1
1 359 . 1 1 1 A 37 37 GLY CA C 37 45.374 46.324 -0.950 1
1 360 . 1 1 1 A 37 37 GLY HA2 H 37 3.969 3.868 0.101 1
1 361 . 1 1 1 A 37 37 GLY HA3 H 37 3.969 3.873 0.096 1
1 362 . 1 1 1 A 37 37 GLY C C 37 174.095 174.087 0.008 1
1 363 . 1 1 1 A 38 38 GLU N N 38 120.594 119.748 0.846 1
1 364 . 1 1 1 A 38 38 GLU H H 38 8.078 8.376 -0.298 1
1 365 . 1 1 1 A 38 38 GLU CA C 38 56.370 55.063 1.307 1
1 366 . 1 1 1 A 38 38 GLU HA H 38 4.216 4.629 -0.413 1
1 367 . 1 1 1 A 38 38 GLU CB C 38 30.465 30.785 -0.320 1
1 373 . 1 1 1 A 38 38 GLU C C 38 176.250 176.255 -0.005 1
1 374 . 1 1 1 A 39 39 LYS N N 39 123.816 123.300 0.516 1
1 375 . 1 1 1 A 39 39 LYS H H 39 8.397 8.704 -0.307 1
1 376 . 1 1 1 A 39 39 LYS CA C 39 54.085 56.905 -2.820 1
1 377 . 1 1 1 A 39 39 LYS HA H 39 4.574 3.821 0.753 1
1 378 . 1 1 1 A 39 39 LYS CB C 39 32.412 30.795 1.617 1
1 385 . 1 1 1 A 39 39 LYS C C 39 174.477 175.023 -0.546 1
1 386 . 1 1 1 A 40 40 PRO CA C 40 63.185 62.824 0.361 1
1 387 . 1 1 1 A 40 40 PRO HA H 40 4.439 4.579 -0.140 1
1 388 . 1 1 1 A 40 40 PRO CB C 40 32.140 31.272 0.868 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.463 45.862 -0.399 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.028 3.994 0.034 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.028 3.996 0.032 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.552 174.216 0.336 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.866 113.701 -0.835 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.147 7.800 0.347 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.817 61.544 0.273 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.339 4.340 -0.001 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.759 69.133 0.626 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.264 174.747 0.517 1
1 16 . 2 1 1 A 9 9 GLY N N 9 111.067 110.621 0.446 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.443 8.668 -0.225 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.274 45.009 0.265 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.943 4.006 -0.063 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.943 4.006 -0.063 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.030 173.413 0.617 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.578 118.870 1.708 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.208 8.429 -0.221 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.472 56.316 0.156 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.219 4.270 -0.051 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.440 30.158 0.282 1
1 31 . 2 1 1 A 10 10 GLU C C 10 176.263 176.390 -0.127 1
1 32 . 2 1 1 A 11 11 LYS N N 11 123.011 120.798 2.213 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.294 8.320 -0.026 1
1 34 . 2 1 1 A 11 11 LYS CA C 11 53.808 53.284 0.524 1
1 35 . 2 1 1 A 11 11 LYS HA H 11 4.507 4.765 -0.258 1
1 36 . 2 1 1 A 11 11 LYS CB C 11 32.578 33.804 -1.226 1
1 48 . 2 1 1 A 11 11 LYS C C 11 174.019 176.349 -2.330 1
1 49 . 2 1 1 A 12 12 PRO CA C 12 62.899 64.840 -1.941 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.290 4.491 -0.201 1
1 51 . 2 1 1 A 12 12 PRO CB C 12 32.252 32.326 -0.074 1
1 60 . 2 1 1 A 12 12 PRO C C 12 176.475 176.169 0.306 1
1 61 . 2 1 1 A 13 13 TYR N N 13 119.889 117.781 2.108 1
1 62 . 2 1 1 A 13 13 TYR H H 13 8.093 8.080 0.013 1
1 63 . 2 1 1 A 13 13 TYR CA C 13 57.162 56.895 0.267 1
1 64 . 2 1 1 A 13 13 TYR HA H 13 4.587 4.871 -0.284 1
1 65 . 2 1 1 A 13 13 TYR CB C 13 38.013 38.435 -0.422 1
1 76 . 2 1 1 A 13 13 TYR C C 13 174.036 174.639 -0.603 1
1 77 . 2 1 1 A 14 14 LYS N N 14 124.683 125.232 -0.549 1
1 78 . 2 1 1 A 14 14 LYS H H 14 8.350 8.942 -0.592 1
1 79 . 2 1 1 A 14 14 LYS CA C 14 54.699 54.314 0.385 1
1 80 . 2 1 1 A 14 14 LYS HA H 14 5.082 5.283 -0.201 1
1 81 . 2 1 1 A 14 14 LYS CB C 14 36.077 36.392 -0.315 1
1 93 . 2 1 1 A 14 14 LYS C C 14 175.154 174.563 0.591 1
1 94 . 2 1 1 A 15 15 CYS N N 15 127.993 123.989 4.004 1
1 95 . 2 1 1 A 15 15 CYS H H 15 9.322 8.887 0.435 1
1 96 . 2 1 1 A 15 15 CYS CA C 15 59.441 58.065 1.376 1
1 97 . 2 1 1 A 15 15 CYS HA H 15 4.526 4.849 -0.323 1
1 98 . 2 1 1 A 15 15 CYS CB C 15 29.639 29.232 0.407 1
1 101 . 2 1 1 A 15 15 CYS C C 15 176.800 175.636 1.164 1
1 102 . 2 1 1 A 16 16 ASN CA C 16 55.581 52.557 3.024 1
1 103 . 2 1 1 A 16 16 ASN HA H 16 4.498 4.899 -0.401 1
1 104 . 2 1 1 A 16 16 ASN CB C 16 38.278 37.210 1.068 1
1 110 . 2 1 1 A 16 16 ASN C C 16 175.404 176.279 -0.875 1
1 111 . 2 1 1 A 17 17 GLU N N 17 120.838 120.521 0.317 1
1 112 . 2 1 1 A 17 17 GLU H H 17 8.709 7.956 0.753 1
1 113 . 2 1 1 A 17 17 GLU CA C 17 58.732 57.002 1.730 1
1 114 . 2 1 1 A 17 17 GLU HA H 17 4.180 4.414 -0.234 1
1 115 . 2 1 1 A 17 17 GLU CB C 17 29.321 31.380 -2.059 1
1 121 . 2 1 1 A 17 17 GLU C C 17 177.142 177.757 -0.615 1
1 122 . 2 1 1 A 18 18 CYS N N 18 114.657 114.583 0.074 1
1 123 . 2 1 1 A 18 18 CYS H H 18 7.916 8.036 -0.120 1
1 124 . 2 1 1 A 18 18 CYS CA C 18 58.276 59.783 -1.507 1
1 125 . 2 1 1 A 18 18 CYS HA H 18 5.140 4.728 0.412 1
1 126 . 2 1 1 A 18 18 CYS CB C 18 32.360 29.895 2.465 1
1 129 . 2 1 1 A 18 18 CYS C C 18 176.225 175.475 0.750 1
1 130 . 2 1 1 A 19 19 GLY N N 19 113.624 109.719 3.905 1
1 131 . 2 1 1 A 19 19 GLY H H 19 8.162 8.228 -0.066 1
1 132 . 2 1 1 A 19 19 GLY CA C 19 46.220 45.694 0.526 1
1 133 . 2 1 1 A 19 19 GLY HA2 H 19 3.703 4.065 -0.362 1
1 134 . 2 1 1 A 19 19 GLY HA3 H 19 4.211 4.067 0.144 1
1 135 . 2 1 1 A 19 19 GLY C C 19 173.525 173.960 -0.435 1
1 136 . 2 1 1 A 20 20 LYS N N 20 122.667 119.301 3.366 1
1 137 . 2 1 1 A 20 20 LYS H H 20 7.889 7.824 0.065 1
1 138 . 2 1 1 A 20 20 LYS CA C 20 58.257 54.170 4.087 1
1 139 . 2 1 1 A 20 20 LYS HA H 20 3.946 4.668 -0.722 1
1 140 . 2 1 1 A 20 20 LYS CB C 20 33.797 35.323 -1.526 1
1 152 . 2 1 1 A 20 20 LYS C C 20 174.228 174.994 -0.766 1
1 153 . 2 1 1 A 21 21 VAL N N 21 117.585 118.101 -0.516 1
1 154 . 2 1 1 A 21 21 VAL H H 21 7.598 8.690 -1.092 1
1 155 . 2 1 1 A 21 21 VAL CA C 21 60.474 59.962 0.512 1
1 156 . 2 1 1 A 21 21 VAL HA H 21 4.740 5.453 -0.713 1
1 157 . 2 1 1 A 21 21 VAL CB C 21 33.927 34.336 -0.409 1
1 167 . 2 1 1 A 21 21 VAL C C 21 175.205 174.342 0.863 1
1 168 . 2 1 1 A 22 22 PHE N N 22 121.649 119.509 2.140 1
1 169 . 2 1 1 A 22 22 PHE H H 22 8.733 8.511 0.222 1
1 170 . 2 1 1 A 22 22 PHE CA C 22 56.779 56.400 0.379 1
1 171 . 2 1 1 A 22 22 PHE HA H 22 4.897 4.985 -0.088 1
1 172 . 2 1 1 A 22 22 PHE CB C 22 43.417 43.611 -0.194 1
1 185 . 2 1 1 A 22 22 PHE C C 22 175.652 175.542 0.110 1
1 186 . 2 1 1 A 23 23 THR N N 23 111.274 113.660 -2.386 1
1 187 . 2 1 1 A 23 23 THR H H 23 9.494 8.815 0.679 1
1 188 . 2 1 1 A 23 23 THR CA C 23 63.213 62.848 0.365 1
1 189 . 2 1 1 A 23 23 THR HA H 23 4.528 4.310 0.218 1
1 190 . 2 1 1 A 23 23 THR CB C 23 69.708 69.031 0.677 1
1 196 . 2 1 1 A 23 23 THR C C 23 174.881 174.389 0.492 1
1 197 . 2 1 1 A 24 24 GLN N N 24 115.450 120.026 -4.576 1
1 198 . 2 1 1 A 24 24 GLN H H 24 7.058 7.687 -0.629 1
1 199 . 2 1 1 A 24 24 GLN CA C 24 53.963 53.623 0.340 1
1 200 . 2 1 1 A 24 24 GLN HA H 24 4.452 4.463 -0.011 1
1 201 . 2 1 1 A 24 24 GLN CB C 24 31.851 31.061 0.790 1
1 210 . 2 1 1 A 24 24 GLN C C 24 175.682 175.610 0.072 1
1 211 . 2 1 1 A 25 25 ASN CA C 25 56.596 57.197 -0.601 1
1 212 . 2 1 1 A 25 25 ASN HA H 25 3.560 4.597 -1.037 1
1 213 . 2 1 1 A 25 25 ASN CB C 25 38.675 39.375 -0.700 1
1 219 . 2 1 1 A 26 26 SER CA C 26 61.163 61.867 -0.704 1
1 220 . 2 1 1 A 26 26 SER HA H 26 3.881 4.093 -0.212 1
1 221 . 2 1 1 A 26 26 SER CB C 26 61.444 63.184 -1.740 1
1 224 . 2 1 1 A 26 26 SER C C 26 177.103 177.548 -0.445 1
1 225 . 2 1 1 A 27 27 HIS N N 27 120.980 119.741 1.239 1
1 226 . 2 1 1 A 27 27 HIS H H 27 6.699 8.221 -1.522 1
1 227 . 2 1 1 A 27 27 HIS CA C 27 56.939 58.615 -1.676 1
1 228 . 2 1 1 A 27 27 HIS HA H 27 4.344 4.325 0.019 1
1 229 . 2 1 1 A 27 27 HIS CB C 27 31.831 29.535 2.296 1
1 236 . 2 1 1 A 27 27 HIS C C 27 177.849 177.324 0.525 1
1 237 . 2 1 1 A 28 28 LEU N N 28 122.679 120.296 2.383 1
1 238 . 2 1 1 A 28 28 LEU H H 28 6.876 7.922 -1.046 1
1 239 . 2 1 1 A 28 28 LEU CA C 28 57.700 57.325 0.375 1
1 240 . 2 1 1 A 28 28 LEU HA H 28 3.175 2.641 0.534 1
1 241 . 2 1 1 A 28 28 LEU CB C 28 40.513 41.761 -1.248 1
1 254 . 2 1 1 A 28 28 LEU C C 28 177.396 177.988 -0.592 1
1 255 . 2 1 1 A 29 29 VAL N N 29 119.083 117.836 1.247 1
1 256 . 2 1 1 A 29 29 VAL H H 29 8.251 8.223 0.028 1
1 257 . 2 1 1 A 29 29 VAL CA C 29 66.791 65.232 1.559 1
1 258 . 2 1 1 A 29 29 VAL HA H 29 3.372 3.679 -0.307 1
1 259 . 2 1 1 A 29 29 VAL CB C 29 31.749 31.572 0.177 1
1 269 . 2 1 1 A 29 29 VAL C C 29 178.979 177.595 1.384 1
1 270 . 2 1 1 A 30 30 ARG N N 30 118.008 121.469 -3.461 1
1 271 . 2 1 1 A 30 30 ARG H H 30 7.431 8.068 -0.637 1
1 272 . 2 1 1 A 30 30 ARG CA C 30 58.827 59.258 -0.431 1
1 273 . 2 1 1 A 30 30 ARG HA H 30 3.988 3.918 0.070 1
1 274 . 2 1 1 A 30 30 ARG CB C 30 30.154 29.857 0.297 1
1 283 . 2 1 1 A 30 30 ARG C C 30 178.629 178.448 0.181 1
1 284 . 2 1 1 A 31 31 HIS N N 31 119.261 119.398 -0.137 1
1 285 . 2 1 1 A 31 31 HIS H H 31 7.645 8.332 -0.687 1
1 286 . 2 1 1 A 31 31 HIS CA C 31 58.859 60.019 -1.160 1
1 287 . 2 1 1 A 31 31 HIS HA H 31 4.182 4.221 -0.039 1
1 288 . 2 1 1 A 31 31 HIS CB C 31 28.757 29.562 -0.805 1
1 295 . 2 1 1 A 31 31 HIS C C 31 175.828 177.237 -1.409 1
1 296 . 2 1 1 A 32 32 ARG N N 32 115.529 117.672 -2.143 1
1 297 . 2 1 1 A 32 32 ARG H H 32 8.072 8.293 -0.221 1
1 298 . 2 1 1 A 32 32 ARG CA C 32 59.996 59.025 0.971 1
1 299 . 2 1 1 A 32 32 ARG HA H 32 3.724 4.137 -0.413 1
1 300 . 2 1 1 A 32 32 ARG CB C 32 29.913 29.962 -0.049 1
1 309 . 2 1 1 A 32 32 ARG C C 32 178.047 179.851 -1.804 1
1 310 . 2 1 1 A 33 33 GLY N N 33 105.489 108.494 -3.005 1
1 311 . 2 1 1 A 33 33 GLY H H 33 7.514 8.215 -0.701 1
1 312 . 2 1 1 A 33 33 GLY CA C 33 46.567 47.363 -0.796 1
1 313 . 2 1 1 A 33 33 GLY HA2 H 33 3.988 3.715 0.273 1
1 314 . 2 1 1 A 33 33 GLY HA3 H 33 3.867 3.738 0.129 1
1 315 . 2 1 1 A 33 33 GLY C C 33 175.858 175.960 -0.102 1
1 316 . 2 1 1 A 34 34 ILE N N 34 118.370 120.205 -1.835 1
1 317 . 2 1 1 A 34 34 ILE H H 34 7.808 7.941 -0.133 1
1 318 . 2 1 1 A 34 34 ILE CA C 34 62.704 63.953 -1.249 1
1 319 . 2 1 1 A 34 34 ILE HA H 34 4.015 3.748 0.267 1
1 320 . 2 1 1 A 34 34 ILE CB C 34 37.645 37.268 0.377 1
1 333 . 2 1 1 A 34 34 ILE C C 34 177.413 177.441 -0.028 1
1 334 . 2 1 1 A 35 35 HIS N N 35 117.927 119.502 -1.575 1
1 335 . 2 1 1 A 35 35 HIS H H 35 7.318 7.741 -0.423 1
1 336 . 2 1 1 A 35 35 HIS CA C 35 55.214 58.250 -3.036 1
1 337 . 2 1 1 A 35 35 HIS HA H 35 4.843 4.496 0.347 1
1 338 . 2 1 1 A 35 35 HIS CB C 35 28.625 31.378 -2.753 1
1 345 . 2 1 1 A 35 35 HIS C C 35 175.767 175.617 0.150 1
1 346 . 2 1 1 A 36 36 THR N N 36 111.953 112.431 -0.478 1
1 347 . 2 1 1 A 36 36 THR H H 36 7.787 7.715 0.072 1
1 348 . 2 1 1 A 36 36 THR CA C 36 62.359 63.372 -1.013 1
1 349 . 2 1 1 A 36 36 THR HA H 36 4.329 4.130 0.199 1
1 350 . 2 1 1 A 36 36 THR CB C 36 69.674 69.202 0.472 1
1 356 . 2 1 1 A 36 36 THR C C 36 175.402 174.005 1.397 1
1 357 . 2 1 1 A 37 37 GLY N N 37 110.854 113.152 -2.298 1
1 358 . 2 1 1 A 37 37 GLY H H 37 8.240 8.366 -0.126 1
1 359 . 2 1 1 A 37 37 GLY CA C 37 45.374 45.733 -0.359 1
1 360 . 2 1 1 A 37 37 GLY HA2 H 37 3.969 4.151 -0.182 1
1 361 . 2 1 1 A 37 37 GLY HA3 H 37 3.969 4.154 -0.185 1
1 362 . 2 1 1 A 37 37 GLY C C 37 174.095 172.072 2.023 1
1 363 . 2 1 1 A 38 38 GLU N N 38 120.594 125.032 -4.438 1
1 364 . 2 1 1 A 38 38 GLU H H 38 8.078 8.471 -0.393 1
1 365 . 2 1 1 A 38 38 GLU CA C 38 56.370 57.327 -0.957 1
1 366 . 2 1 1 A 38 38 GLU HA H 38 4.216 4.323 -0.107 1
1 367 . 2 1 1 A 38 38 GLU CB C 38 30.465 30.912 -0.447 1
1 373 . 2 1 1 A 38 38 GLU C C 38 176.250 176.111 0.139 1
1 374 . 2 1 1 A 39 39 LYS N N 39 123.816 120.871 2.945 1
1 375 . 2 1 1 A 39 39 LYS H H 39 8.397 8.542 -0.145 1
1 376 . 2 1 1 A 39 39 LYS CA C 39 54.085 53.328 0.757 1
1 377 . 2 1 1 A 39 39 LYS HA H 39 4.574 4.882 -0.308 1
1 378 . 2 1 1 A 39 39 LYS CB C 39 32.412 34.835 -2.423 1
1 385 . 2 1 1 A 39 39 LYS C C 39 174.477 175.880 -1.403 1
1 386 . 2 1 1 A 40 40 PRO CA C 40 63.185 64.001 -0.816 1
1 387 . 2 1 1 A 40 40 PRO HA H 40 4.439 4.464 -0.025 1
1 388 . 2 1 1 A 40 40 PRO CB C 40 32.140 31.652 0.488 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.463 45.773 -0.310 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.028 4.142 -0.114 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.028 4.146 -0.118 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.552 172.840 1.712 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.866 113.112 -0.246 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.147 7.795 0.352 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.817 62.312 -0.495 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.339 4.149 0.190 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.759 70.044 -0.285 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.264 174.979 0.285 1
1 16 . 3 1 1 A 9 9 GLY N N 9 111.067 109.913 1.154 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.443 8.844 -0.401 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.274 45.252 0.022 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.943 3.948 -0.005 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.943 3.952 -0.009 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.030 175.086 -1.056 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.578 116.280 4.298 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.208 8.167 0.041 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.472 57.535 -1.063 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.219 3.948 0.271 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.440 27.432 3.008 1
1 31 . 3 1 1 A 10 10 GLU C C 10 176.263 175.916 0.347 1
1 32 . 3 1 1 A 11 11 LYS N N 11 123.011 119.841 3.170 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.294 7.795 0.499 1
1 34 . 3 1 1 A 11 11 LYS CA C 11 53.808 55.280 -1.472 1
1 35 . 3 1 1 A 11 11 LYS HA H 11 4.507 4.369 0.138 1
1 36 . 3 1 1 A 11 11 LYS CB C 11 32.578 31.991 0.587 1
1 48 . 3 1 1 A 11 11 LYS C C 11 174.019 176.688 -2.669 1
1 49 . 3 1 1 A 12 12 PRO CA C 12 62.899 64.454 -1.555 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.290 4.543 -0.253 1
1 51 . 3 1 1 A 12 12 PRO CB C 12 32.252 31.703 0.549 1
1 60 . 3 1 1 A 12 12 PRO C C 12 176.475 176.098 0.377 1
1 61 . 3 1 1 A 13 13 TYR N N 13 119.889 118.583 1.306 1
1 62 . 3 1 1 A 13 13 TYR H H 13 8.093 7.817 0.276 1
1 63 . 3 1 1 A 13 13 TYR CA C 13 57.162 56.614 0.548 1
1 64 . 3 1 1 A 13 13 TYR HA H 13 4.587 5.007 -0.420 1
1 65 . 3 1 1 A 13 13 TYR CB C 13 38.013 39.073 -1.060 1
1 76 . 3 1 1 A 13 13 TYR C C 13 174.036 174.330 -0.294 1
1 77 . 3 1 1 A 14 14 LYS N N 14 124.683 125.754 -1.071 1
1 78 . 3 1 1 A 14 14 LYS H H 14 8.350 9.010 -0.660 1
1 79 . 3 1 1 A 14 14 LYS CA C 14 54.699 54.173 0.526 1
1 80 . 3 1 1 A 14 14 LYS HA H 14 5.082 5.129 -0.047 1
1 81 . 3 1 1 A 14 14 LYS CB C 14 36.077 36.210 -0.133 1
1 93 . 3 1 1 A 14 14 LYS C C 14 175.154 175.569 -0.415 1
1 94 . 3 1 1 A 15 15 CYS N N 15 127.993 124.128 3.865 1
1 95 . 3 1 1 A 15 15 CYS H H 15 9.322 9.156 0.166 1
1 96 . 3 1 1 A 15 15 CYS CA C 15 59.441 59.270 0.171 1
1 97 . 3 1 1 A 15 15 CYS HA H 15 4.526 4.603 -0.077 1
1 98 . 3 1 1 A 15 15 CYS CB C 15 29.639 28.262 1.377 1
1 101 . 3 1 1 A 15 15 CYS C C 15 176.800 175.771 1.029 1
1 102 . 3 1 1 A 16 16 ASN CA C 16 55.581 52.216 3.365 1
1 103 . 3 1 1 A 16 16 ASN HA H 16 4.498 4.921 -0.423 1
1 104 . 3 1 1 A 16 16 ASN CB C 16 38.278 37.785 0.493 1
1 110 . 3 1 1 A 16 16 ASN C C 16 175.404 176.117 -0.713 1
1 111 . 3 1 1 A 17 17 GLU N N 17 120.838 120.539 0.299 1
1 112 . 3 1 1 A 17 17 GLU H H 17 8.709 7.917 0.792 1
1 113 . 3 1 1 A 17 17 GLU CA C 17 58.732 57.095 1.637 1
1 114 . 3 1 1 A 17 17 GLU HA H 17 4.180 4.503 -0.323 1
1 115 . 3 1 1 A 17 17 GLU CB C 17 29.321 31.818 -2.497 1
1 121 . 3 1 1 A 17 17 GLU C C 17 177.142 177.838 -0.696 1
1 122 . 3 1 1 A 18 18 CYS N N 18 114.657 114.696 -0.039 1
1 123 . 3 1 1 A 18 18 CYS H H 18 7.916 8.089 -0.173 1
1 124 . 3 1 1 A 18 18 CYS CA C 18 58.276 59.766 -1.490 1
1 125 . 3 1 1 A 18 18 CYS HA H 18 5.140 4.773 0.367 1
1 126 . 3 1 1 A 18 18 CYS CB C 18 32.360 29.998 2.362 1
1 129 . 3 1 1 A 18 18 CYS C C 18 176.225 175.601 0.624 1
1 130 . 3 1 1 A 19 19 GLY N N 19 113.624 109.934 3.690 1
1 131 . 3 1 1 A 19 19 GLY H H 19 8.162 8.276 -0.114 1
1 132 . 3 1 1 A 19 19 GLY CA C 19 46.220 45.524 0.696 1
1 133 . 3 1 1 A 19 19 GLY HA2 H 19 3.703 4.075 -0.372 1
1 134 . 3 1 1 A 19 19 GLY HA3 H 19 4.211 4.079 0.132 1
1 135 . 3 1 1 A 19 19 GLY C C 19 173.525 174.095 -0.570 1
1 136 . 3 1 1 A 20 20 LYS N N 20 122.667 119.363 3.304 1
1 137 . 3 1 1 A 20 20 LYS H H 20 7.889 7.873 0.016 1
1 138 . 3 1 1 A 20 20 LYS CA C 20 58.257 54.313 3.944 1
1 139 . 3 1 1 A 20 20 LYS HA H 20 3.946 4.627 -0.681 1
1 140 . 3 1 1 A 20 20 LYS CB C 20 33.797 34.864 -1.067 1
1 152 . 3 1 1 A 20 20 LYS C C 20 174.228 175.616 -1.388 1
1 153 . 3 1 1 A 21 21 VAL N N 21 117.585 118.452 -0.867 1
1 154 . 3 1 1 A 21 21 VAL H H 21 7.598 8.738 -1.140 1
1 155 . 3 1 1 A 21 21 VAL CA C 21 60.474 60.014 0.460 1
1 156 . 3 1 1 A 21 21 VAL HA H 21 4.740 5.218 -0.478 1
1 157 . 3 1 1 A 21 21 VAL CB C 21 33.927 34.150 -0.223 1
1 167 . 3 1 1 A 21 21 VAL C C 21 175.205 174.262 0.943 1
1 168 . 3 1 1 A 22 22 PHE N N 22 121.649 118.964 2.685 1
1 169 . 3 1 1 A 22 22 PHE H H 22 8.733 8.281 0.452 1
1 170 . 3 1 1 A 22 22 PHE CA C 22 56.779 56.663 0.116 1
1 171 . 3 1 1 A 22 22 PHE HA H 22 4.897 4.894 0.003 1
1 172 . 3 1 1 A 22 22 PHE CB C 22 43.417 43.443 -0.026 1
1 185 . 3 1 1 A 22 22 PHE C C 22 175.652 175.733 -0.081 1
1 186 . 3 1 1 A 23 23 THR N N 23 111.274 115.525 -4.251 1
1 187 . 3 1 1 A 23 23 THR H H 23 9.494 8.619 0.875 1
1 188 . 3 1 1 A 23 23 THR CA C 23 63.213 65.383 -2.170 1
1 189 . 3 1 1 A 23 23 THR HA H 23 4.528 4.072 0.456 1
1 190 . 3 1 1 A 23 23 THR CB C 23 69.708 68.663 1.045 1
1 196 . 3 1 1 A 23 23 THR C C 23 174.881 174.127 0.754 1
1 197 . 3 1 1 A 24 24 GLN N N 24 115.450 119.966 -4.516 1
1 198 . 3 1 1 A 24 24 GLN H H 24 7.058 7.626 -0.568 1
1 199 . 3 1 1 A 24 24 GLN CA C 24 53.963 53.421 0.542 1
1 200 . 3 1 1 A 24 24 GLN HA H 24 4.452 4.471 -0.019 1
1 201 . 3 1 1 A 24 24 GLN CB C 24 31.851 30.793 1.058 1
1 210 . 3 1 1 A 24 24 GLN C C 24 175.682 176.466 -0.784 1
1 211 . 3 1 1 A 25 25 ASN CA C 25 56.596 56.185 0.411 1
1 212 . 3 1 1 A 25 25 ASN HA H 25 3.560 4.511 -0.951 1
1 213 . 3 1 1 A 25 25 ASN CB C 25 38.675 37.562 1.113 1
1 219 . 3 1 1 A 26 26 SER CA C 26 61.163 61.469 -0.306 1
1 220 . 3 1 1 A 26 26 SER HA H 26 3.881 4.089 -0.208 1
1 221 . 3 1 1 A 26 26 SER CB C 26 61.444 63.106 -1.662 1
1 224 . 3 1 1 A 26 26 SER C C 26 177.103 177.268 -0.165 1
1 225 . 3 1 1 A 27 27 HIS N N 27 120.980 119.437 1.543 1
1 226 . 3 1 1 A 27 27 HIS H H 27 6.699 8.051 -1.352 1
1 227 . 3 1 1 A 27 27 HIS CA C 27 56.939 58.909 -1.970 1
1 228 . 3 1 1 A 27 27 HIS HA H 27 4.344 4.262 0.082 1
1 229 . 3 1 1 A 27 27 HIS CB C 27 31.831 30.109 1.722 1
1 236 . 3 1 1 A 27 27 HIS C C 27 177.849 177.428 0.421 1
1 237 . 3 1 1 A 28 28 LEU N N 28 122.679 120.522 2.157 1
1 238 . 3 1 1 A 28 28 LEU H H 28 6.876 7.743 -0.867 1
1 239 . 3 1 1 A 28 28 LEU CA C 28 57.700 57.458 0.242 1
1 240 . 3 1 1 A 28 28 LEU HA H 28 3.175 2.577 0.598 1
1 241 . 3 1 1 A 28 28 LEU CB C 28 40.513 41.528 -1.015 1
1 254 . 3 1 1 A 28 28 LEU C C 28 177.396 178.433 -1.037 1
1 255 . 3 1 1 A 29 29 VAL N N 29 119.083 119.360 -0.277 1
1 256 . 3 1 1 A 29 29 VAL H H 29 8.251 8.198 0.053 1
1 257 . 3 1 1 A 29 29 VAL CA C 29 66.791 67.156 -0.365 1
1 258 . 3 1 1 A 29 29 VAL HA H 29 3.372 3.487 -0.115 1
1 259 . 3 1 1 A 29 29 VAL CB C 29 31.749 31.615 0.134 1
1 269 . 3 1 1 A 29 29 VAL C C 29 178.979 177.993 0.986 1
1 270 . 3 1 1 A 30 30 ARG N N 30 118.008 119.377 -1.369 1
1 271 . 3 1 1 A 30 30 ARG H H 30 7.431 8.088 -0.657 1
1 272 . 3 1 1 A 30 30 ARG CA C 30 58.827 60.011 -1.184 1
1 273 . 3 1 1 A 30 30 ARG HA H 30 3.988 3.905 0.083 1
1 274 . 3 1 1 A 30 30 ARG CB C 30 30.154 29.896 0.258 1
1 283 . 3 1 1 A 30 30 ARG C C 30 178.629 178.673 -0.044 1
1 284 . 3 1 1 A 31 31 HIS N N 31 119.261 119.580 -0.319 1
1 285 . 3 1 1 A 31 31 HIS H H 31 7.645 7.679 -0.034 1
1 286 . 3 1 1 A 31 31 HIS CA C 31 58.859 59.863 -1.004 1
1 287 . 3 1 1 A 31 31 HIS HA H 31 4.182 4.147 0.035 1
1 288 . 3 1 1 A 31 31 HIS CB C 31 28.757 29.534 -0.777 1
1 295 . 3 1 1 A 31 31 HIS C C 31 175.828 176.472 -0.644 1
1 296 . 3 1 1 A 32 32 ARG N N 32 115.529 117.135 -1.606 1
1 297 . 3 1 1 A 32 32 ARG H H 32 8.072 8.319 -0.247 1
1 298 . 3 1 1 A 32 32 ARG CA C 32 59.996 58.995 1.001 1
1 299 . 3 1 1 A 32 32 ARG HA H 32 3.724 4.055 -0.331 1
1 300 . 3 1 1 A 32 32 ARG CB C 32 29.913 29.937 -0.024 1
1 309 . 3 1 1 A 32 32 ARG C C 32 178.047 179.908 -1.861 1
1 310 . 3 1 1 A 33 33 GLY N N 33 105.489 108.402 -2.913 1
1 311 . 3 1 1 A 33 33 GLY H H 33 7.514 8.648 -1.134 1
1 312 . 3 1 1 A 33 33 GLY CA C 33 46.567 47.390 -0.823 1
1 313 . 3 1 1 A 33 33 GLY HA2 H 33 3.988 3.658 0.330 1
1 314 . 3 1 1 A 33 33 GLY HA3 H 33 3.867 3.678 0.189 1
1 315 . 3 1 1 A 33 33 GLY C C 33 175.858 175.887 -0.029 1
1 316 . 3 1 1 A 34 34 ILE N N 34 118.370 120.060 -1.690 1
1 317 . 3 1 1 A 34 34 ILE H H 34 7.808 8.172 -0.364 1
1 318 . 3 1 1 A 34 34 ILE CA C 34 62.704 63.963 -1.259 1
1 319 . 3 1 1 A 34 34 ILE HA H 34 4.015 3.753 0.262 1
1 320 . 3 1 1 A 34 34 ILE CB C 34 37.645 37.286 0.359 1
1 333 . 3 1 1 A 34 34 ILE C C 34 177.413 177.489 -0.076 1
1 334 . 3 1 1 A 35 35 HIS N N 35 117.927 119.607 -1.680 1
1 335 . 3 1 1 A 35 35 HIS H H 35 7.318 7.679 -0.361 1
1 336 . 3 1 1 A 35 35 HIS CA C 35 55.214 58.717 -3.503 1
1 337 . 3 1 1 A 35 35 HIS HA H 35 4.843 4.468 0.375 1
1 338 . 3 1 1 A 35 35 HIS CB C 35 28.625 30.915 -2.290 1
1 345 . 3 1 1 A 35 35 HIS C C 35 175.767 175.615 0.152 1
1 346 . 3 1 1 A 36 36 THR N N 36 111.953 111.823 0.130 1
1 347 . 3 1 1 A 36 36 THR H H 36 7.787 7.516 0.271 1
1 348 . 3 1 1 A 36 36 THR CA C 36 62.359 62.465 -0.106 1
1 349 . 3 1 1 A 36 36 THR HA H 36 4.329 4.209 0.120 1
1 350 . 3 1 1 A 36 36 THR CB C 36 69.674 69.791 -0.117 1
1 356 . 3 1 1 A 36 36 THR C C 36 175.402 174.516 0.886 1
1 357 . 3 1 1 A 37 37 GLY N N 37 110.854 109.666 1.188 1
1 358 . 3 1 1 A 37 37 GLY H H 37 8.240 8.846 -0.606 1
1 359 . 3 1 1 A 37 37 GLY CA C 37 45.374 46.075 -0.701 1
1 360 . 3 1 1 A 37 37 GLY HA2 H 37 3.969 3.942 0.027 1
1 361 . 3 1 1 A 37 37 GLY HA3 H 37 3.969 3.946 0.023 1
1 362 . 3 1 1 A 37 37 GLY C C 37 174.095 173.877 0.218 1
1 363 . 3 1 1 A 38 38 GLU N N 38 120.594 123.322 -2.728 1
1 364 . 3 1 1 A 38 38 GLU H H 38 8.078 8.208 -0.130 1
1 365 . 3 1 1 A 38 38 GLU CA C 38 56.370 55.831 0.539 1
1 366 . 3 1 1 A 38 38 GLU HA H 38 4.216 4.621 -0.405 1
1 367 . 3 1 1 A 38 38 GLU CB C 38 30.465 30.829 -0.364 1
1 373 . 3 1 1 A 38 38 GLU C C 38 176.250 176.419 -0.169 1
1 374 . 3 1 1 A 39 39 LYS N N 39 123.816 121.669 2.147 1
1 375 . 3 1 1 A 39 39 LYS H H 39 8.397 8.351 0.046 1
1 376 . 3 1 1 A 39 39 LYS CA C 39 54.085 54.495 -0.410 1
1 377 . 3 1 1 A 39 39 LYS HA H 39 4.574 4.541 0.033 1
1 378 . 3 1 1 A 39 39 LYS CB C 39 32.412 31.856 0.556 1
1 385 . 3 1 1 A 39 39 LYS C C 39 174.477 174.534 -0.057 1
1 386 . 3 1 1 A 40 40 PRO CA C 40 63.185 62.534 0.651 1
1 387 . 3 1 1 A 40 40 PRO HA H 40 4.439 4.642 -0.203 1
1 388 . 3 1 1 A 40 40 PRO CB C 40 32.140 33.390 -1.250 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.463 46.112 -0.649 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.028 3.925 0.103 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.028 3.928 0.100 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.552 174.755 -0.203 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.866 120.624 -7.758 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.147 8.435 -0.288 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.817 66.489 -4.672 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.339 3.798 0.541 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.759 68.929 0.830 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.264 176.361 -1.097 1
1 16 . 4 1 1 A 9 9 GLY N N 9 111.067 108.722 2.345 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.443 8.016 0.427 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.274 46.417 -1.143 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.943 3.924 0.019 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.943 3.924 0.019 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.030 174.253 -0.223 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.578 117.727 2.851 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.208 7.418 0.790 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.472 56.427 0.045 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.219 4.284 -0.065 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.440 29.790 0.650 1
1 31 . 4 1 1 A 10 10 GLU C C 10 176.263 176.002 0.261 1
1 32 . 4 1 1 A 11 11 LYS N N 11 123.011 122.611 0.400 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.294 8.706 -0.412 1
1 34 . 4 1 1 A 11 11 LYS CA C 11 53.808 54.404 -0.596 1
1 35 . 4 1 1 A 11 11 LYS HA H 11 4.507 4.445 0.062 1
1 36 . 4 1 1 A 11 11 LYS CB C 11 32.578 31.768 0.810 1
1 48 . 4 1 1 A 11 11 LYS C C 11 174.019 176.610 -2.591 1
1 49 . 4 1 1 A 12 12 PRO CA C 12 62.899 64.002 -1.103 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.290 4.404 -0.114 1
1 51 . 4 1 1 A 12 12 PRO CB C 12 32.252 31.391 0.861 1
1 60 . 4 1 1 A 12 12 PRO C C 12 176.475 175.604 0.871 1
1 61 . 4 1 1 A 13 13 TYR N N 13 119.889 118.845 1.044 1
1 62 . 4 1 1 A 13 13 TYR H H 13 8.093 7.615 0.478 1
1 63 . 4 1 1 A 13 13 TYR CA C 13 57.162 56.811 0.351 1
1 64 . 4 1 1 A 13 13 TYR HA H 13 4.587 5.295 -0.708 1
1 65 . 4 1 1 A 13 13 TYR CB C 13 38.013 40.495 -2.482 1
1 76 . 4 1 1 A 13 13 TYR C C 13 174.036 174.440 -0.404 1
1 77 . 4 1 1 A 14 14 LYS N N 14 124.683 124.346 0.337 1
1 78 . 4 1 1 A 14 14 LYS H H 14 8.350 8.951 -0.601 1
1 79 . 4 1 1 A 14 14 LYS CA C 14 54.699 55.115 -0.416 1
1 80 . 4 1 1 A 14 14 LYS HA H 14 5.082 5.225 -0.143 1
1 81 . 4 1 1 A 14 14 LYS CB C 14 36.077 36.816 -0.739 1
1 93 . 4 1 1 A 14 14 LYS C C 14 175.154 173.919 1.235 1
1 94 . 4 1 1 A 15 15 CYS N N 15 127.993 124.290 3.703 1
1 95 . 4 1 1 A 15 15 CYS H H 15 9.322 8.598 0.724 1
1 96 . 4 1 1 A 15 15 CYS CA C 15 59.441 57.535 1.906 1
1 97 . 4 1 1 A 15 15 CYS HA H 15 4.526 4.966 -0.440 1
1 98 . 4 1 1 A 15 15 CYS CB C 15 29.639 29.959 -0.320 1
1 101 . 4 1 1 A 15 15 CYS C C 15 176.800 175.258 1.542 1
1 102 . 4 1 1 A 16 16 ASN CA C 16 55.581 56.759 -1.178 1
1 103 . 4 1 1 A 16 16 ASN HA H 16 4.498 4.305 0.193 1
1 104 . 4 1 1 A 16 16 ASN CB C 16 38.278 38.274 0.004 1
1 110 . 4 1 1 A 16 16 ASN C C 16 175.404 177.119 -1.715 1
1 111 . 4 1 1 A 17 17 GLU N N 17 120.838 118.536 2.302 1
1 112 . 4 1 1 A 17 17 GLU H H 17 8.709 8.365 0.344 1
1 113 . 4 1 1 A 17 17 GLU CA C 17 58.732 58.976 -0.244 1
1 114 . 4 1 1 A 17 17 GLU HA H 17 4.180 3.939 0.241 1
1 115 . 4 1 1 A 17 17 GLU CB C 17 29.321 28.490 0.831 1
1 121 . 4 1 1 A 17 17 GLU C C 17 177.142 178.169 -1.027 1
1 122 . 4 1 1 A 18 18 CYS N N 18 114.657 115.114 -0.457 1
1 123 . 4 1 1 A 18 18 CYS H H 18 7.916 7.926 -0.010 1
1 124 . 4 1 1 A 18 18 CYS CA C 18 58.276 59.806 -1.530 1
1 125 . 4 1 1 A 18 18 CYS HA H 18 5.140 4.724 0.416 1
1 126 . 4 1 1 A 18 18 CYS CB C 18 32.360 29.739 2.621 1
1 129 . 4 1 1 A 18 18 CYS C C 18 176.225 175.342 0.883 1
1 130 . 4 1 1 A 19 19 GLY N N 19 113.624 109.967 3.657 1
1 131 . 4 1 1 A 19 19 GLY H H 19 8.162 7.998 0.164 1
1 132 . 4 1 1 A 19 19 GLY CA C 19 46.220 45.271 0.949 1
1 133 . 4 1 1 A 19 19 GLY HA2 H 19 3.703 4.065 -0.362 1
1 134 . 4 1 1 A 19 19 GLY HA3 H 19 4.211 4.069 0.142 1
1 135 . 4 1 1 A 19 19 GLY C C 19 173.525 174.123 -0.598 1
1 136 . 4 1 1 A 20 20 LYS N N 20 122.667 119.254 3.413 1
1 137 . 4 1 1 A 20 20 LYS H H 20 7.889 7.792 0.097 1
1 138 . 4 1 1 A 20 20 LYS CA C 20 58.257 54.361 3.896 1
1 139 . 4 1 1 A 20 20 LYS HA H 20 3.946 4.554 -0.608 1
1 140 . 4 1 1 A 20 20 LYS CB C 20 33.797 34.758 -0.961 1
1 152 . 4 1 1 A 20 20 LYS C C 20 174.228 175.464 -1.236 1
1 153 . 4 1 1 A 21 21 VAL N N 21 117.585 118.677 -1.092 1
1 154 . 4 1 1 A 21 21 VAL H H 21 7.598 8.674 -1.076 1
1 155 . 4 1 1 A 21 21 VAL CA C 21 60.474 60.488 -0.014 1
1 156 . 4 1 1 A 21 21 VAL HA H 21 4.740 5.189 -0.449 1
1 157 . 4 1 1 A 21 21 VAL CB C 21 33.927 33.500 0.427 1
1 167 . 4 1 1 A 21 21 VAL C C 21 175.205 174.627 0.578 1
1 168 . 4 1 1 A 22 22 PHE N N 22 121.649 121.110 0.539 1
1 169 . 4 1 1 A 22 22 PHE H H 22 8.733 8.501 0.232 1
1 170 . 4 1 1 A 22 22 PHE CA C 22 56.779 56.488 0.291 1
1 171 . 4 1 1 A 22 22 PHE HA H 22 4.897 4.971 -0.074 1
1 172 . 4 1 1 A 22 22 PHE CB C 22 43.417 43.754 -0.337 1
1 185 . 4 1 1 A 22 22 PHE C C 22 175.652 175.604 0.048 1
1 186 . 4 1 1 A 23 23 THR N N 23 111.274 116.131 -4.857 1
1 187 . 4 1 1 A 23 23 THR H H 23 9.494 8.623 0.871 1
1 188 . 4 1 1 A 23 23 THR CA C 23 63.213 64.684 -1.471 1
1 189 . 4 1 1 A 23 23 THR HA H 23 4.528 4.244 0.284 1
1 190 . 4 1 1 A 23 23 THR CB C 23 69.708 69.576 0.132 1
1 196 . 4 1 1 A 23 23 THR C C 23 174.881 173.808 1.073 1
1 197 . 4 1 1 A 24 24 GLN N N 24 115.450 118.197 -2.747 1
1 198 . 4 1 1 A 24 24 GLN H H 24 7.058 7.336 -0.278 1
1 199 . 4 1 1 A 24 24 GLN CA C 24 53.963 53.953 0.010 1
1 200 . 4 1 1 A 24 24 GLN HA H 24 4.452 4.368 0.084 1
1 201 . 4 1 1 A 24 24 GLN CB C 24 31.851 30.632 1.219 1
1 210 . 4 1 1 A 24 24 GLN C C 24 175.682 175.685 -0.003 1
1 211 . 4 1 1 A 25 25 ASN CA C 25 56.596 57.007 -0.411 1
1 212 . 4 1 1 A 25 25 ASN HA H 25 3.560 4.021 -0.461 1
1 213 . 4 1 1 A 25 25 ASN CB C 25 38.675 38.732 -0.057 1
1 219 . 4 1 1 A 26 26 SER CA C 26 61.163 62.340 -1.177 1
1 220 . 4 1 1 A 26 26 SER HA H 26 3.881 4.110 -0.229 1
1 221 . 4 1 1 A 26 26 SER CB C 26 61.444 63.450 -2.006 1
1 224 . 4 1 1 A 26 26 SER C C 26 177.103 176.715 0.388 1
1 225 . 4 1 1 A 27 27 HIS N N 27 120.980 119.309 1.671 1
1 226 . 4 1 1 A 27 27 HIS H H 27 6.699 7.831 -1.132 1
1 227 . 4 1 1 A 27 27 HIS CA C 27 56.939 59.178 -2.239 1
1 228 . 4 1 1 A 27 27 HIS HA H 27 4.344 4.173 0.171 1
1 229 . 4 1 1 A 27 27 HIS CB C 27 31.831 29.413 2.418 1
1 236 . 4 1 1 A 27 27 HIS C C 27 177.849 177.285 0.564 1
1 237 . 4 1 1 A 28 28 LEU N N 28 122.679 120.343 2.336 1
1 238 . 4 1 1 A 28 28 LEU H H 28 6.876 7.749 -0.873 1
1 239 . 4 1 1 A 28 28 LEU CA C 28 57.700 57.527 0.173 1
1 240 . 4 1 1 A 28 28 LEU HA H 28 3.175 3.347 -0.172 1
1 241 . 4 1 1 A 28 28 LEU CB C 28 40.513 42.045 -1.532 1
1 254 . 4 1 1 A 28 28 LEU C C 28 177.396 178.082 -0.686 1
1 255 . 4 1 1 A 29 29 VAL N N 29 119.083 118.126 0.957 1
1 256 . 4 1 1 A 29 29 VAL H H 29 8.251 8.296 -0.045 1
1 257 . 4 1 1 A 29 29 VAL CA C 29 66.791 65.192 1.599 1
1 258 . 4 1 1 A 29 29 VAL HA H 29 3.372 3.720 -0.348 1
1 259 . 4 1 1 A 29 29 VAL CB C 29 31.749 31.525 0.224 1
1 269 . 4 1 1 A 29 29 VAL C C 29 178.979 177.456 1.523 1
1 270 . 4 1 1 A 30 30 ARG N N 30 118.008 122.827 -4.819 1
1 271 . 4 1 1 A 30 30 ARG H H 30 7.431 7.718 -0.287 1
1 272 . 4 1 1 A 30 30 ARG CA C 30 58.827 59.326 -0.499 1
1 273 . 4 1 1 A 30 30 ARG HA H 30 3.988 4.070 -0.082 1
1 274 . 4 1 1 A 30 30 ARG CB C 30 30.154 30.312 -0.158 1
1 283 . 4 1 1 A 30 30 ARG C C 30 178.629 178.406 0.223 1
1 284 . 4 1 1 A 31 31 HIS N N 31 119.261 119.747 -0.486 1
1 285 . 4 1 1 A 31 31 HIS H H 31 7.645 7.714 -0.069 1
1 286 . 4 1 1 A 31 31 HIS CA C 31 58.859 59.930 -1.071 1
1 287 . 4 1 1 A 31 31 HIS HA H 31 4.182 4.157 0.025 1
1 288 . 4 1 1 A 31 31 HIS CB C 31 28.757 29.547 -0.790 1
1 295 . 4 1 1 A 31 31 HIS C C 31 175.828 176.539 -0.711 1
1 296 . 4 1 1 A 32 32 ARG N N 32 115.529 117.288 -1.759 1
1 297 . 4 1 1 A 32 32 ARG H H 32 8.072 8.435 -0.363 1
1 298 . 4 1 1 A 32 32 ARG CA C 32 59.996 59.009 0.987 1
1 299 . 4 1 1 A 32 32 ARG HA H 32 3.724 4.022 -0.298 1
1 300 . 4 1 1 A 32 32 ARG CB C 32 29.913 29.983 -0.070 1
1 309 . 4 1 1 A 32 32 ARG C C 32 178.047 179.876 -1.829 1
1 310 . 4 1 1 A 33 33 GLY N N 33 105.489 108.418 -2.929 1
1 311 . 4 1 1 A 33 33 GLY H H 33 7.514 8.461 -0.947 1
1 312 . 4 1 1 A 33 33 GLY CA C 33 46.567 47.388 -0.821 1
1 313 . 4 1 1 A 33 33 GLY HA2 H 33 3.988 3.647 0.341 1
1 314 . 4 1 1 A 33 33 GLY HA3 H 33 3.867 3.672 0.195 1
1 315 . 4 1 1 A 33 33 GLY C C 33 175.858 175.999 -0.141 1
1 316 . 4 1 1 A 34 34 ILE N N 34 118.370 120.197 -1.827 1
1 317 . 4 1 1 A 34 34 ILE H H 34 7.808 8.220 -0.412 1
1 318 . 4 1 1 A 34 34 ILE CA C 34 62.704 64.195 -1.491 1
1 319 . 4 1 1 A 34 34 ILE HA H 34 4.015 3.750 0.265 1
1 320 . 4 1 1 A 34 34 ILE CB C 34 37.645 37.352 0.293 1
1 333 . 4 1 1 A 34 34 ILE C C 34 177.413 177.451 -0.038 1
1 334 . 4 1 1 A 35 35 HIS N N 35 117.927 119.625 -1.698 1
1 335 . 4 1 1 A 35 35 HIS H H 35 7.318 7.545 -0.227 1
1 336 . 4 1 1 A 35 35 HIS CA C 35 55.214 57.807 -2.593 1
1 337 . 4 1 1 A 35 35 HIS HA H 35 4.843 4.458 0.385 1
1 338 . 4 1 1 A 35 35 HIS CB C 35 28.625 31.036 -2.411 1
1 345 . 4 1 1 A 35 35 HIS C C 35 175.767 175.400 0.367 1
1 346 . 4 1 1 A 36 36 THR N N 36 111.953 111.451 0.502 1
1 347 . 4 1 1 A 36 36 THR H H 36 7.787 7.798 -0.011 1
1 348 . 4 1 1 A 36 36 THR CA C 36 62.359 59.663 2.696 1
1 349 . 4 1 1 A 36 36 THR HA H 36 4.329 4.688 -0.359 1
1 350 . 4 1 1 A 36 36 THR CB C 36 69.674 70.814 -1.140 1
1 356 . 4 1 1 A 36 36 THR C C 36 175.402 173.436 1.966 1
1 357 . 4 1 1 A 37 37 GLY N N 37 110.854 115.486 -4.632 1
1 358 . 4 1 1 A 37 37 GLY H H 37 8.240 8.545 -0.305 1
1 359 . 4 1 1 A 37 37 GLY CA C 37 45.374 46.038 -0.664 1
1 360 . 4 1 1 A 37 37 GLY HA2 H 37 3.969 4.031 -0.062 1
1 361 . 4 1 1 A 37 37 GLY HA3 H 37 3.969 4.035 -0.066 1
1 362 . 4 1 1 A 37 37 GLY C C 37 174.095 174.100 -0.005 1
1 363 . 4 1 1 A 38 38 GLU N N 38 120.594 122.203 -1.609 1
1 364 . 4 1 1 A 38 38 GLU H H 38 8.078 7.932 0.146 1
1 365 . 4 1 1 A 38 38 GLU CA C 38 56.370 55.103 1.267 1
1 366 . 4 1 1 A 38 38 GLU HA H 38 4.216 4.461 -0.245 1
1 367 . 4 1 1 A 38 38 GLU CB C 38 30.465 29.128 1.337 1
1 373 . 4 1 1 A 38 38 GLU C C 38 176.250 175.878 0.372 1
1 374 . 4 1 1 A 39 39 LYS N N 39 123.816 120.748 3.068 1
1 375 . 4 1 1 A 39 39 LYS H H 39 8.397 7.971 0.426 1
1 376 . 4 1 1 A 39 39 LYS CA C 39 54.085 57.147 -3.062 1
1 377 . 4 1 1 A 39 39 LYS HA H 39 4.574 3.989 0.585 1
1 378 . 4 1 1 A 39 39 LYS CB C 39 32.412 30.883 1.529 1
1 385 . 4 1 1 A 39 39 LYS C C 39 174.477 176.580 -2.103 1
1 386 . 4 1 1 A 40 40 PRO CA C 40 63.185 62.638 0.547 1
1 387 . 4 1 1 A 40 40 PRO HA H 40 4.439 4.722 -0.283 1
1 388 . 4 1 1 A 40 40 PRO CB C 40 32.140 29.783 2.357 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.463 44.856 0.607 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.028 4.164 -0.136 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.028 4.166 -0.138 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.552 173.337 1.215 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.866 119.744 -6.878 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.147 8.716 -0.569 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.817 60.912 0.905 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.339 4.624 -0.285 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.759 70.926 -1.167 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.264 174.857 0.407 1
1 16 . 5 1 1 A 9 9 GLY N N 9 111.067 115.751 -4.684 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.443 8.694 -0.251 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.274 45.233 0.041 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.943 3.955 -0.012 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.943 3.963 -0.020 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.030 174.763 -0.733 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.578 120.858 -0.280 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.208 8.511 -0.303 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.472 57.353 -0.881 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.219 3.992 0.227 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.440 28.231 2.209 1
1 31 . 5 1 1 A 10 10 GLU C C 10 176.263 175.724 0.539 1
1 32 . 5 1 1 A 11 11 LYS N N 11 123.011 120.167 2.844 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.294 7.965 0.329 1
1 34 . 5 1 1 A 11 11 LYS CA C 11 53.808 54.929 -1.121 1
1 35 . 5 1 1 A 11 11 LYS HA H 11 4.507 4.405 0.102 1
1 36 . 5 1 1 A 11 11 LYS CB C 11 32.578 32.116 0.462 1
1 48 . 5 1 1 A 11 11 LYS C C 11 174.019 176.582 -2.563 1
1 49 . 5 1 1 A 12 12 PRO CA C 12 62.899 64.340 -1.441 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.290 4.395 -0.105 1
1 51 . 5 1 1 A 12 12 PRO CB C 12 32.252 31.516 0.736 1
1 60 . 5 1 1 A 12 12 PRO C C 12 176.475 175.809 0.666 1
1 61 . 5 1 1 A 13 13 TYR N N 13 119.889 118.233 1.656 1
1 62 . 5 1 1 A 13 13 TYR H H 13 8.093 7.576 0.517 1
1 63 . 5 1 1 A 13 13 TYR CA C 13 57.162 56.900 0.262 1
1 64 . 5 1 1 A 13 13 TYR HA H 13 4.587 5.356 -0.769 1
1 65 . 5 1 1 A 13 13 TYR CB C 13 38.013 41.006 -2.993 1
1 76 . 5 1 1 A 13 13 TYR C C 13 174.036 174.253 -0.217 1
1 77 . 5 1 1 A 14 14 LYS N N 14 124.683 124.475 0.208 1
1 78 . 5 1 1 A 14 14 LYS H H 14 8.350 8.988 -0.638 1
1 79 . 5 1 1 A 14 14 LYS CA C 14 54.699 54.656 0.043 1
1 80 . 5 1 1 A 14 14 LYS HA H 14 5.082 5.351 -0.269 1
1 81 . 5 1 1 A 14 14 LYS CB C 14 36.077 36.377 -0.300 1
1 93 . 5 1 1 A 14 14 LYS C C 14 175.154 174.209 0.945 1
1 94 . 5 1 1 A 15 15 CYS N N 15 127.993 123.989 4.004 1
1 95 . 5 1 1 A 15 15 CYS H H 15 9.322 9.166 0.156 1
1 96 . 5 1 1 A 15 15 CYS CA C 15 59.441 58.306 1.135 1
1 97 . 5 1 1 A 15 15 CYS HA H 15 4.526 4.800 -0.274 1
1 98 . 5 1 1 A 15 15 CYS CB C 15 29.639 29.100 0.539 1
1 101 . 5 1 1 A 15 15 CYS C C 15 176.800 175.795 1.005 1
1 102 . 5 1 1 A 16 16 ASN CA C 16 55.581 52.385 3.196 1
1 103 . 5 1 1 A 16 16 ASN HA H 16 4.498 4.928 -0.430 1
1 104 . 5 1 1 A 16 16 ASN CB C 16 38.278 37.610 0.668 1
1 110 . 5 1 1 A 16 16 ASN C C 16 175.404 176.170 -0.766 1
1 111 . 5 1 1 A 17 17 GLU N N 17 120.838 120.581 0.257 1
1 112 . 5 1 1 A 17 17 GLU H H 17 8.709 7.967 0.742 1
1 113 . 5 1 1 A 17 17 GLU CA C 17 58.732 57.241 1.491 1
1 114 . 5 1 1 A 17 17 GLU HA H 17 4.180 4.547 -0.367 1
1 115 . 5 1 1 A 17 17 GLU CB C 17 29.321 32.050 -2.729 1
1 121 . 5 1 1 A 17 17 GLU C C 17 177.142 177.871 -0.729 1
1 122 . 5 1 1 A 18 18 CYS N N 18 114.657 114.832 -0.175 1
1 123 . 5 1 1 A 18 18 CYS H H 18 7.916 8.135 -0.219 1
1 124 . 5 1 1 A 18 18 CYS CA C 18 58.276 59.769 -1.493 1
1 125 . 5 1 1 A 18 18 CYS HA H 18 5.140 4.800 0.340 1
1 126 . 5 1 1 A 18 18 CYS CB C 18 32.360 29.812 2.548 1
1 129 . 5 1 1 A 18 18 CYS C C 18 176.225 175.416 0.809 1
1 130 . 5 1 1 A 19 19 GLY N N 19 113.624 109.834 3.790 1
1 131 . 5 1 1 A 19 19 GLY H H 19 8.162 8.003 0.159 1
1 132 . 5 1 1 A 19 19 GLY CA C 19 46.220 45.319 0.901 1
1 133 . 5 1 1 A 19 19 GLY HA2 H 19 3.703 4.081 -0.378 1
1 134 . 5 1 1 A 19 19 GLY HA3 H 19 4.211 4.086 0.125 1
1 135 . 5 1 1 A 19 19 GLY C C 19 173.525 174.132 -0.607 1
1 136 . 5 1 1 A 20 20 LYS N N 20 122.667 120.634 2.033 1
1 137 . 5 1 1 A 20 20 LYS H H 20 7.889 7.756 0.133 1
1 138 . 5 1 1 A 20 20 LYS CA C 20 58.257 54.679 3.578 1
1 139 . 5 1 1 A 20 20 LYS HA H 20 3.946 4.597 -0.651 1
1 140 . 5 1 1 A 20 20 LYS CB C 20 33.797 35.080 -1.283 1
1 152 . 5 1 1 A 20 20 LYS C C 20 174.228 175.439 -1.211 1
1 153 . 5 1 1 A 21 21 VAL N N 21 117.585 119.673 -2.088 1
1 154 . 5 1 1 A 21 21 VAL H H 21 7.598 8.784 -1.186 1
1 155 . 5 1 1 A 21 21 VAL CA C 21 60.474 59.885 0.589 1
1 156 . 5 1 1 A 21 21 VAL HA H 21 4.740 5.377 -0.637 1
1 157 . 5 1 1 A 21 21 VAL CB C 21 33.927 34.257 -0.330 1
1 167 . 5 1 1 A 21 21 VAL C C 21 175.205 174.241 0.964 1
1 168 . 5 1 1 A 22 22 PHE N N 22 121.649 119.642 2.007 1
1 169 . 5 1 1 A 22 22 PHE H H 22 8.733 8.320 0.413 1
1 170 . 5 1 1 A 22 22 PHE CA C 22 56.779 56.792 -0.013 1
1 171 . 5 1 1 A 22 22 PHE HA H 22 4.897 4.899 -0.002 1
1 172 . 5 1 1 A 22 22 PHE CB C 22 43.417 43.468 -0.051 1
1 185 . 5 1 1 A 22 22 PHE C C 22 175.652 175.585 0.067 1
1 186 . 5 1 1 A 23 23 THR N N 23 111.274 117.938 -6.664 1
1 187 . 5 1 1 A 23 23 THR H H 23 9.494 8.602 0.892 1
1 188 . 5 1 1 A 23 23 THR CA C 23 63.213 63.685 -0.472 1
1 189 . 5 1 1 A 23 23 THR HA H 23 4.528 4.335 0.193 1
1 190 . 5 1 1 A 23 23 THR CB C 23 69.708 69.464 0.244 1
1 196 . 5 1 1 A 23 23 THR C C 23 174.881 173.857 1.024 1
1 197 . 5 1 1 A 24 24 GLN N N 24 115.450 119.535 -4.085 1
1 198 . 5 1 1 A 24 24 GLN H H 24 7.058 7.712 -0.654 1
1 199 . 5 1 1 A 24 24 GLN CA C 24 53.963 53.868 0.095 1
1 200 . 5 1 1 A 24 24 GLN HA H 24 4.452 4.460 -0.008 1
1 201 . 5 1 1 A 24 24 GLN CB C 24 31.851 30.710 1.141 1
1 210 . 5 1 1 A 24 24 GLN C C 24 175.682 175.430 0.252 1
1 211 . 5 1 1 A 25 25 ASN CA C 25 56.596 56.888 -0.292 1
1 212 . 5 1 1 A 25 25 ASN HA H 25 3.560 3.869 -0.309 1
1 213 . 5 1 1 A 25 25 ASN CB C 25 38.675 38.570 0.105 1
1 219 . 5 1 1 A 26 26 SER CA C 26 61.163 61.411 -0.248 1
1 220 . 5 1 1 A 26 26 SER HA H 26 3.881 4.118 -0.237 1
1 221 . 5 1 1 A 26 26 SER CB C 26 61.444 62.571 -1.127 1
1 224 . 5 1 1 A 26 26 SER C C 26 177.103 177.045 0.058 1
1 225 . 5 1 1 A 27 27 HIS N N 27 120.980 118.502 2.478 1
1 226 . 5 1 1 A 27 27 HIS H H 27 6.699 8.016 -1.317 1
1 227 . 5 1 1 A 27 27 HIS CA C 27 56.939 58.971 -2.032 1
1 228 . 5 1 1 A 27 27 HIS HA H 27 4.344 4.146 0.198 1
1 229 . 5 1 1 A 27 27 HIS CB C 27 31.831 30.036 1.795 1
1 236 . 5 1 1 A 27 27 HIS C C 27 177.849 177.044 0.805 1
1 237 . 5 1 1 A 28 28 LEU N N 28 122.679 120.348 2.331 1
1 238 . 5 1 1 A 28 28 LEU H H 28 6.876 7.702 -0.826 1
1 239 . 5 1 1 A 28 28 LEU CA C 28 57.700 58.086 -0.386 1
1 240 . 5 1 1 A 28 28 LEU HA H 28 3.175 2.665 0.510 1
1 241 . 5 1 1 A 28 28 LEU CB C 28 40.513 41.758 -1.245 1
1 254 . 5 1 1 A 28 28 LEU C C 28 177.396 178.297 -0.901 1
1 255 . 5 1 1 A 29 29 VAL N N 29 119.083 119.117 -0.034 1
1 256 . 5 1 1 A 29 29 VAL H H 29 8.251 7.713 0.538 1
1 257 . 5 1 1 A 29 29 VAL CA C 29 66.791 67.022 -0.231 1
1 258 . 5 1 1 A 29 29 VAL HA H 29 3.372 3.493 -0.121 1
1 259 . 5 1 1 A 29 29 VAL CB C 29 31.749 31.362 0.387 1
1 269 . 5 1 1 A 29 29 VAL C C 29 178.979 177.909 1.070 1
1 270 . 5 1 1 A 30 30 ARG N N 30 118.008 119.559 -1.551 1
1 271 . 5 1 1 A 30 30 ARG H H 30 7.431 7.931 -0.500 1
1 272 . 5 1 1 A 30 30 ARG CA C 30 58.827 59.854 -1.027 1
1 273 . 5 1 1 A 30 30 ARG HA H 30 3.988 3.892 0.096 1
1 274 . 5 1 1 A 30 30 ARG CB C 30 30.154 29.810 0.344 1
1 283 . 5 1 1 A 30 30 ARG C C 30 178.629 178.748 -0.119 1
1 284 . 5 1 1 A 31 31 HIS N N 31 119.261 119.790 -0.529 1
1 285 . 5 1 1 A 31 31 HIS H H 31 7.645 8.259 -0.614 1
1 286 . 5 1 1 A 31 31 HIS CA C 31 58.859 59.887 -1.028 1
1 287 . 5 1 1 A 31 31 HIS HA H 31 4.182 4.163 0.019 1
1 288 . 5 1 1 A 31 31 HIS CB C 31 28.757 29.504 -0.747 1
1 295 . 5 1 1 A 31 31 HIS C C 31 175.828 176.542 -0.714 1
1 296 . 5 1 1 A 32 32 ARG N N 32 115.529 117.082 -1.553 1
1 297 . 5 1 1 A 32 32 ARG H H 32 8.072 8.090 -0.018 1
1 298 . 5 1 1 A 32 32 ARG CA C 32 59.996 58.946 1.050 1
1 299 . 5 1 1 A 32 32 ARG HA H 32 3.724 3.899 -0.175 1
1 300 . 5 1 1 A 32 32 ARG CB C 32 29.913 29.966 -0.053 1
1 309 . 5 1 1 A 32 32 ARG C C 32 178.047 179.852 -1.805 1
1 310 . 5 1 1 A 33 33 GLY N N 33 105.489 108.476 -2.987 1
1 311 . 5 1 1 A 33 33 GLY H H 33 7.514 8.698 -1.184 1
1 312 . 5 1 1 A 33 33 GLY CA C 33 46.567 47.398 -0.831 1
1 313 . 5 1 1 A 33 33 GLY HA2 H 33 3.988 3.668 0.320 1
1 314 . 5 1 1 A 33 33 GLY HA3 H 33 3.867 3.684 0.183 1
1 315 . 5 1 1 A 33 33 GLY C C 33 175.858 175.923 -0.065 1
1 316 . 5 1 1 A 34 34 ILE N N 34 118.370 120.261 -1.891 1
1 317 . 5 1 1 A 34 34 ILE H H 34 7.808 8.312 -0.504 1
1 318 . 5 1 1 A 34 34 ILE CA C 34 62.704 63.816 -1.112 1
1 319 . 5 1 1 A 34 34 ILE HA H 34 4.015 3.814 0.201 1
1 320 . 5 1 1 A 34 34 ILE CB C 34 37.645 37.485 0.160 1
1 333 . 5 1 1 A 34 34 ILE C C 34 177.413 177.580 -0.167 1
1 334 . 5 1 1 A 35 35 HIS N N 35 117.927 119.500 -1.573 1
1 335 . 5 1 1 A 35 35 HIS H H 35 7.318 7.803 -0.485 1
1 336 . 5 1 1 A 35 35 HIS CA C 35 55.214 58.587 -3.373 1
1 337 . 5 1 1 A 35 35 HIS HA H 35 4.843 4.438 0.405 1
1 338 . 5 1 1 A 35 35 HIS CB C 35 28.625 31.271 -2.646 1
1 345 . 5 1 1 A 35 35 HIS C C 35 175.767 175.553 0.214 1
1 346 . 5 1 1 A 36 36 THR N N 36 111.953 112.253 -0.300 1
1 347 . 5 1 1 A 36 36 THR H H 36 7.787 7.361 0.426 1
1 348 . 5 1 1 A 36 36 THR CA C 36 62.359 62.943 -0.584 1
1 349 . 5 1 1 A 36 36 THR HA H 36 4.329 4.266 0.063 1
1 350 . 5 1 1 A 36 36 THR CB C 36 69.674 69.587 0.087 1
1 356 . 5 1 1 A 36 36 THR C C 36 175.402 174.771 0.631 1
1 357 . 5 1 1 A 37 37 GLY N N 37 110.854 113.550 -2.696 1
1 358 . 5 1 1 A 37 37 GLY H H 37 8.240 8.517 -0.277 1
1 359 . 5 1 1 A 37 37 GLY CA C 37 45.374 45.684 -0.310 1
1 360 . 5 1 1 A 37 37 GLY HA2 H 37 3.969 4.187 -0.218 1
1 361 . 5 1 1 A 37 37 GLY HA3 H 37 3.969 4.187 -0.218 1
1 362 . 5 1 1 A 37 37 GLY C C 37 174.095 174.213 -0.118 1
1 363 . 5 1 1 A 38 38 GLU N N 38 120.594 116.425 4.169 1
1 364 . 5 1 1 A 38 38 GLU H H 38 8.078 8.108 -0.030 1
1 365 . 5 1 1 A 38 38 GLU CA C 38 56.370 57.262 -0.892 1
1 366 . 5 1 1 A 38 38 GLU HA H 38 4.216 4.030 0.186 1
1 367 . 5 1 1 A 38 38 GLU CB C 38 30.465 27.443 3.022 1
1 373 . 5 1 1 A 38 38 GLU C C 38 176.250 175.258 0.992 1
1 374 . 5 1 1 A 39 39 LYS N N 39 123.816 116.948 6.868 1
1 375 . 5 1 1 A 39 39 LYS H H 39 8.397 7.597 0.800 1
1 376 . 5 1 1 A 39 39 LYS CA C 39 54.085 53.781 0.304 1
1 377 . 5 1 1 A 39 39 LYS HA H 39 4.574 4.967 -0.393 1
1 378 . 5 1 1 A 39 39 LYS CB C 39 32.412 35.159 -2.747 1
1 385 . 5 1 1 A 39 39 LYS C C 39 174.477 173.674 0.803 1
1 386 . 5 1 1 A 40 40 PRO CA C 40 63.185 62.823 0.362 1
1 387 . 5 1 1 A 40 40 PRO HA H 40 4.439 4.735 -0.296 1
1 388 . 5 1 1 A 40 40 PRO CB C 40 32.140 31.794 0.346 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.463 43.928 1.535 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.028 4.039 -0.011 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.028 4.041 -0.013 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.552 171.351 3.201 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.866 113.223 -0.357 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.147 8.327 -0.180 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.817 59.559 2.258 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.339 5.064 -0.725 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.759 71.745 -1.986 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.264 173.819 1.445 1
1 16 . 6 1 1 A 9 9 GLY N N 9 111.067 114.726 -3.659 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.443 8.431 0.012 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.274 44.721 0.553 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.943 4.135 -0.192 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.943 4.136 -0.193 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.030 173.009 1.021 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.578 122.413 -1.835 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.208 8.834 -0.626 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.472 54.361 2.111 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.219 5.000 -0.781 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.440 34.031 -3.591 1
1 31 . 6 1 1 A 10 10 GLU C C 10 176.263 175.371 0.892 1
1 32 . 6 1 1 A 11 11 LYS N N 11 123.011 120.753 2.258 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.294 8.571 -0.277 1
1 34 . 6 1 1 A 11 11 LYS CA C 11 53.808 54.189 -0.381 1
1 35 . 6 1 1 A 11 11 LYS HA H 11 4.507 4.516 -0.009 1
1 36 . 6 1 1 A 11 11 LYS CB C 11 32.578 31.860 0.718 1
1 48 . 6 1 1 A 11 11 LYS C C 11 174.019 176.466 -2.447 1
1 49 . 6 1 1 A 12 12 PRO CA C 12 62.899 63.873 -0.974 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.290 4.317 -0.027 1
1 51 . 6 1 1 A 12 12 PRO CB C 12 32.252 30.992 1.260 1
1 60 . 6 1 1 A 12 12 PRO C C 12 176.475 175.618 0.857 1
1 61 . 6 1 1 A 13 13 TYR N N 13 119.889 118.579 1.310 1
1 62 . 6 1 1 A 13 13 TYR H H 13 8.093 7.549 0.544 1
1 63 . 6 1 1 A 13 13 TYR CA C 13 57.162 56.520 0.642 1
1 64 . 6 1 1 A 13 13 TYR HA H 13 4.587 5.019 -0.432 1
1 65 . 6 1 1 A 13 13 TYR CB C 13 38.013 39.144 -1.131 1
1 76 . 6 1 1 A 13 13 TYR C C 13 174.036 174.255 -0.219 1
1 77 . 6 1 1 A 14 14 LYS N N 14 124.683 125.638 -0.955 1
1 78 . 6 1 1 A 14 14 LYS H H 14 8.350 9.073 -0.723 1
1 79 . 6 1 1 A 14 14 LYS CA C 14 54.699 54.399 0.300 1
1 80 . 6 1 1 A 14 14 LYS HA H 14 5.082 5.334 -0.252 1
1 81 . 6 1 1 A 14 14 LYS CB C 14 36.077 36.373 -0.296 1
1 93 . 6 1 1 A 14 14 LYS C C 14 175.154 175.321 -0.167 1
1 94 . 6 1 1 A 15 15 CYS N N 15 127.993 124.742 3.251 1
1 95 . 6 1 1 A 15 15 CYS H H 15 9.322 9.201 0.121 1
1 96 . 6 1 1 A 15 15 CYS CA C 15 59.441 58.433 1.008 1
1 97 . 6 1 1 A 15 15 CYS HA H 15 4.526 4.662 -0.136 1
1 98 . 6 1 1 A 15 15 CYS CB C 15 29.639 28.322 1.317 1
1 101 . 6 1 1 A 15 15 CYS C C 15 176.800 175.837 0.963 1
1 102 . 6 1 1 A 16 16 ASN CA C 16 55.581 56.611 -1.030 1
1 103 . 6 1 1 A 16 16 ASN HA H 16 4.498 4.418 0.080 1
1 104 . 6 1 1 A 16 16 ASN CB C 16 38.278 38.119 0.159 1
1 110 . 6 1 1 A 16 16 ASN C C 16 175.404 177.584 -2.180 1
1 111 . 6 1 1 A 17 17 GLU N N 17 120.838 119.611 1.227 1
1 112 . 6 1 1 A 17 17 GLU H H 17 8.709 8.235 0.474 1
1 113 . 6 1 1 A 17 17 GLU CA C 17 58.732 59.200 -0.468 1
1 114 . 6 1 1 A 17 17 GLU HA H 17 4.180 3.872 0.308 1
1 115 . 6 1 1 A 17 17 GLU CB C 17 29.321 28.712 0.609 1
1 121 . 6 1 1 A 17 17 GLU C C 17 177.142 178.058 -0.916 1
1 122 . 6 1 1 A 18 18 CYS N N 18 114.657 114.817 -0.160 1
1 123 . 6 1 1 A 18 18 CYS H H 18 7.916 7.760 0.156 1
1 124 . 6 1 1 A 18 18 CYS CA C 18 58.276 59.712 -1.436 1
1 125 . 6 1 1 A 18 18 CYS HA H 18 5.140 4.628 0.512 1
1 126 . 6 1 1 A 18 18 CYS CB C 18 32.360 29.816 2.544 1
1 129 . 6 1 1 A 18 18 CYS C C 18 176.225 175.345 0.880 1
1 130 . 6 1 1 A 19 19 GLY N N 19 113.624 109.966 3.658 1
1 131 . 6 1 1 A 19 19 GLY H H 19 8.162 8.223 -0.061 1
1 132 . 6 1 1 A 19 19 GLY CA C 19 46.220 45.846 0.374 1
1 133 . 6 1 1 A 19 19 GLY HA2 H 19 3.703 4.072 -0.369 1
1 134 . 6 1 1 A 19 19 GLY HA3 H 19 4.211 4.078 0.133 1
1 135 . 6 1 1 A 19 19 GLY C C 19 173.525 173.828 -0.303 1
1 136 . 6 1 1 A 20 20 LYS N N 20 122.667 120.058 2.609 1
1 137 . 6 1 1 A 20 20 LYS H H 20 7.889 7.689 0.200 1
1 138 . 6 1 1 A 20 20 LYS CA C 20 58.257 54.927 3.330 1
1 139 . 6 1 1 A 20 20 LYS HA H 20 3.946 4.863 -0.917 1
1 140 . 6 1 1 A 20 20 LYS CB C 20 33.797 35.662 -1.865 1
1 152 . 6 1 1 A 20 20 LYS C C 20 174.228 175.243 -1.015 1
1 153 . 6 1 1 A 21 21 VAL N N 21 117.585 121.763 -4.178 1
1 154 . 6 1 1 A 21 21 VAL H H 21 7.598 8.766 -1.168 1
1 155 . 6 1 1 A 21 21 VAL CA C 21 60.474 60.392 0.082 1
1 156 . 6 1 1 A 21 21 VAL HA H 21 4.740 5.260 -0.520 1
1 157 . 6 1 1 A 21 21 VAL CB C 21 33.927 33.466 0.461 1
1 167 . 6 1 1 A 21 21 VAL C C 21 175.205 174.834 0.371 1
1 168 . 6 1 1 A 22 22 PHE N N 22 121.649 120.638 1.011 1
1 169 . 6 1 1 A 22 22 PHE H H 22 8.733 8.902 -0.169 1
1 170 . 6 1 1 A 22 22 PHE CA C 22 56.779 56.596 0.183 1
1 171 . 6 1 1 A 22 22 PHE HA H 22 4.897 5.026 -0.129 1
1 172 . 6 1 1 A 22 22 PHE CB C 22 43.417 43.724 -0.307 1
1 185 . 6 1 1 A 22 22 PHE C C 22 175.652 175.716 -0.064 1
1 186 . 6 1 1 A 23 23 THR N N 23 111.274 116.147 -4.873 1
1 187 . 6 1 1 A 23 23 THR H H 23 9.494 8.705 0.789 1
1 188 . 6 1 1 A 23 23 THR CA C 23 63.213 65.091 -1.878 1
1 189 . 6 1 1 A 23 23 THR HA H 23 4.528 4.258 0.270 1
1 190 . 6 1 1 A 23 23 THR CB C 23 69.708 69.588 0.120 1
1 196 . 6 1 1 A 23 23 THR C C 23 174.881 174.224 0.657 1
1 197 . 6 1 1 A 24 24 GLN N N 24 115.450 118.520 -3.070 1
1 198 . 6 1 1 A 24 24 GLN H H 24 7.058 7.796 -0.738 1
1 199 . 6 1 1 A 24 24 GLN CA C 24 53.963 54.417 -0.454 1
1 200 . 6 1 1 A 24 24 GLN HA H 24 4.452 4.647 -0.195 1
1 201 . 6 1 1 A 24 24 GLN CB C 24 31.851 30.289 1.562 1
1 210 . 6 1 1 A 24 24 GLN C C 24 175.682 175.997 -0.315 1
1 211 . 6 1 1 A 25 25 ASN CA C 25 56.596 55.897 0.699 1
1 212 . 6 1 1 A 25 25 ASN HA H 25 3.560 3.753 -0.193 1
1 213 . 6 1 1 A 25 25 ASN CB C 25 38.675 38.246 0.429 1
1 219 . 6 1 1 A 26 26 SER CA C 26 61.163 61.420 -0.257 1
1 220 . 6 1 1 A 26 26 SER HA H 26 3.881 4.125 -0.244 1
1 221 . 6 1 1 A 26 26 SER CB C 26 61.444 62.235 -0.791 1
1 224 . 6 1 1 A 26 26 SER C C 26 177.103 177.307 -0.204 1
1 225 . 6 1 1 A 27 27 HIS N N 27 120.980 118.657 2.323 1
1 226 . 6 1 1 A 27 27 HIS H H 27 6.699 8.042 -1.343 1
1 227 . 6 1 1 A 27 27 HIS CA C 27 56.939 58.827 -1.888 1
1 228 . 6 1 1 A 27 27 HIS HA H 27 4.344 4.147 0.197 1
1 229 . 6 1 1 A 27 27 HIS CB C 27 31.831 29.976 1.855 1
1 236 . 6 1 1 A 27 27 HIS C C 27 177.849 176.992 0.857 1
1 237 . 6 1 1 A 28 28 LEU N N 28 122.679 120.278 2.401 1
1 238 . 6 1 1 A 28 28 LEU H H 28 6.876 7.413 -0.537 1
1 239 . 6 1 1 A 28 28 LEU CA C 28 57.700 58.013 -0.313 1
1 240 . 6 1 1 A 28 28 LEU HA H 28 3.175 3.009 0.166 1
1 241 . 6 1 1 A 28 28 LEU CB C 28 40.513 41.498 -0.985 1
1 254 . 6 1 1 A 28 28 LEU C C 28 177.396 178.295 -0.899 1
1 255 . 6 1 1 A 29 29 VAL N N 29 119.083 119.247 -0.164 1
1 256 . 6 1 1 A 29 29 VAL H H 29 8.251 7.787 0.464 1
1 257 . 6 1 1 A 29 29 VAL CA C 29 66.791 67.167 -0.376 1
1 258 . 6 1 1 A 29 29 VAL HA H 29 3.372 3.456 -0.084 1
1 259 . 6 1 1 A 29 29 VAL CB C 29 31.749 31.464 0.285 1
1 269 . 6 1 1 A 29 29 VAL C C 29 178.979 177.918 1.061 1
1 270 . 6 1 1 A 30 30 ARG N N 30 118.008 119.418 -1.410 1
1 271 . 6 1 1 A 30 30 ARG H H 30 7.431 7.929 -0.498 1
1 272 . 6 1 1 A 30 30 ARG CA C 30 58.827 59.945 -1.118 1
1 273 . 6 1 1 A 30 30 ARG HA H 30 3.988 3.878 0.110 1
1 274 . 6 1 1 A 30 30 ARG CB C 30 30.154 29.909 0.245 1
1 283 . 6 1 1 A 30 30 ARG C C 30 178.629 178.521 0.108 1
1 284 . 6 1 1 A 31 31 HIS N N 31 119.261 119.570 -0.309 1
1 285 . 6 1 1 A 31 31 HIS H H 31 7.645 7.917 -0.272 1
1 286 . 6 1 1 A 31 31 HIS CA C 31 58.859 59.781 -0.922 1
1 287 . 6 1 1 A 31 31 HIS HA H 31 4.182 4.041 0.141 1
1 288 . 6 1 1 A 31 31 HIS CB C 31 28.757 29.405 -0.648 1
1 295 . 6 1 1 A 31 31 HIS C C 31 175.828 176.484 -0.656 1
1 296 . 6 1 1 A 32 32 ARG N N 32 115.529 116.904 -1.375 1
1 297 . 6 1 1 A 32 32 ARG H H 32 8.072 8.291 -0.219 1
1 298 . 6 1 1 A 32 32 ARG CA C 32 59.996 59.167 0.829 1
1 299 . 6 1 1 A 32 32 ARG HA H 32 3.724 4.151 -0.427 1
1 300 . 6 1 1 A 32 32 ARG CB C 32 29.913 29.956 -0.043 1
1 309 . 6 1 1 A 32 32 ARG C C 32 178.047 179.662 -1.615 1
1 310 . 6 1 1 A 33 33 GLY N N 33 105.489 108.504 -3.015 1
1 311 . 6 1 1 A 33 33 GLY H H 33 7.514 8.711 -1.197 1
1 312 . 6 1 1 A 33 33 GLY CA C 33 46.567 47.283 -0.716 1
1 313 . 6 1 1 A 33 33 GLY HA2 H 33 3.988 3.681 0.307 1
1 314 . 6 1 1 A 33 33 GLY HA3 H 33 3.867 3.716 0.151 1
1 315 . 6 1 1 A 33 33 GLY C C 33 175.858 175.913 -0.055 1
1 316 . 6 1 1 A 34 34 ILE N N 34 118.370 120.415 -2.045 1
1 317 . 6 1 1 A 34 34 ILE H H 34 7.808 7.949 -0.141 1
1 318 . 6 1 1 A 34 34 ILE CA C 34 62.704 64.185 -1.481 1
1 319 . 6 1 1 A 34 34 ILE HA H 34 4.015 3.790 0.225 1
1 320 . 6 1 1 A 34 34 ILE CB C 34 37.645 37.281 0.364 1
1 333 . 6 1 1 A 34 34 ILE C C 34 177.413 176.485 0.928 1
1 334 . 6 1 1 A 35 35 HIS N N 35 117.927 120.123 -2.196 1
1 335 . 6 1 1 A 35 35 HIS H H 35 7.318 7.923 -0.605 1
1 336 . 6 1 1 A 35 35 HIS CA C 35 55.214 54.645 0.569 1
1 337 . 6 1 1 A 35 35 HIS HA H 35 4.843 4.618 0.225 1
1 338 . 6 1 1 A 35 35 HIS CB C 35 28.625 27.633 0.992 1
1 345 . 6 1 1 A 35 35 HIS C C 35 175.767 173.893 1.874 1
1 346 . 6 1 1 A 36 36 THR N N 36 111.953 111.710 0.243 1
1 347 . 6 1 1 A 36 36 THR H H 36 7.787 7.960 -0.173 1
1 348 . 6 1 1 A 36 36 THR CA C 36 62.359 60.705 1.654 1
1 349 . 6 1 1 A 36 36 THR HA H 36 4.329 5.143 -0.814 1
1 350 . 6 1 1 A 36 36 THR CB C 36 69.674 70.547 -0.873 1
1 356 . 6 1 1 A 36 36 THR C C 36 175.402 173.450 1.952 1
1 357 . 6 1 1 A 37 37 GLY N N 37 110.854 111.915 -1.061 1
1 358 . 6 1 1 A 37 37 GLY H H 37 8.240 9.093 -0.853 1
1 359 . 6 1 1 A 37 37 GLY CA C 37 45.374 45.029 0.345 1
1 360 . 6 1 1 A 37 37 GLY HA2 H 37 3.969 4.184 -0.215 1
1 361 . 6 1 1 A 37 37 GLY HA3 H 37 3.969 4.191 -0.222 1
1 362 . 6 1 1 A 37 37 GLY C C 37 174.095 172.744 1.351 1
1 363 . 6 1 1 A 38 38 GLU N N 38 120.594 122.106 -1.512 1
1 364 . 6 1 1 A 38 38 GLU H H 38 8.078 9.079 -1.001 1
1 365 . 6 1 1 A 38 38 GLU CA C 38 56.370 55.211 1.159 1
1 366 . 6 1 1 A 38 38 GLU HA H 38 4.216 5.182 -0.966 1
1 367 . 6 1 1 A 38 38 GLU CB C 38 30.465 32.347 -1.882 1
1 373 . 6 1 1 A 38 38 GLU C C 38 176.250 174.720 1.530 1
1 374 . 6 1 1 A 39 39 LYS N N 39 123.816 124.140 -0.324 1
1 375 . 6 1 1 A 39 39 LYS H H 39 8.397 8.563 -0.166 1
1 376 . 6 1 1 A 39 39 LYS CA C 39 54.085 53.085 1.000 1
1 377 . 6 1 1 A 39 39 LYS HA H 39 4.574 4.797 -0.223 1
1 378 . 6 1 1 A 39 39 LYS CB C 39 32.412 35.555 -3.143 1
1 385 . 6 1 1 A 39 39 LYS C C 39 174.477 173.933 0.544 1
1 386 . 6 1 1 A 40 40 PRO CA C 40 63.185 62.640 0.545 1
1 387 . 6 1 1 A 40 40 PRO HA H 40 4.439 4.687 -0.248 1
1 388 . 6 1 1 A 40 40 PRO CB C 40 32.140 31.646 0.494 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.463 45.947 -0.484 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.028 4.028 0.000 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.028 4.031 -0.003 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.552 171.958 2.594 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.866 113.496 -0.630 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.147 8.516 -0.369 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.817 59.449 2.368 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.339 5.122 -0.783 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.759 71.447 -1.688 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.264 173.564 1.700 1
1 16 . 7 1 1 A 9 9 GLY N N 9 111.067 108.291 2.776 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.443 8.388 0.055 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.274 44.321 0.953 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.943 4.117 -0.174 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.943 4.118 -0.175 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.030 172.198 1.832 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.578 116.761 3.817 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.208 8.660 -0.452 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.472 54.645 1.827 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.219 4.978 -0.759 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.440 33.496 -3.056 1
1 31 . 7 1 1 A 10 10 GLU C C 10 176.263 174.679 1.584 1
1 32 . 7 1 1 A 11 11 LYS N N 11 123.011 122.006 1.005 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.294 8.591 -0.297 1
1 34 . 7 1 1 A 11 11 LYS CA C 11 53.808 53.200 0.608 1
1 35 . 7 1 1 A 11 11 LYS HA H 11 4.507 4.801 -0.294 1
1 36 . 7 1 1 A 11 11 LYS CB C 11 32.578 33.773 -1.195 1
1 48 . 7 1 1 A 11 11 LYS C C 11 174.019 176.403 -2.384 1
1 49 . 7 1 1 A 12 12 PRO CA C 12 62.899 63.902 -1.003 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.290 4.362 -0.072 1
1 51 . 7 1 1 A 12 12 PRO CB C 12 32.252 31.218 1.034 1
1 60 . 7 1 1 A 12 12 PRO C C 12 176.475 175.663 0.812 1
1 61 . 7 1 1 A 13 13 TYR N N 13 119.889 118.710 1.179 1
1 62 . 7 1 1 A 13 13 TYR H H 13 8.093 7.646 0.447 1
1 63 . 7 1 1 A 13 13 TYR CA C 13 57.162 56.560 0.602 1
1 64 . 7 1 1 A 13 13 TYR HA H 13 4.587 5.100 -0.513 1
1 65 . 7 1 1 A 13 13 TYR CB C 13 38.013 39.373 -1.360 1
1 76 . 7 1 1 A 13 13 TYR C C 13 174.036 174.514 -0.478 1
1 77 . 7 1 1 A 14 14 LYS N N 14 124.683 125.555 -0.872 1
1 78 . 7 1 1 A 14 14 LYS H H 14 8.350 9.112 -0.762 1
1 79 . 7 1 1 A 14 14 LYS CA C 14 54.699 54.324 0.375 1
1 80 . 7 1 1 A 14 14 LYS HA H 14 5.082 5.336 -0.254 1
1 81 . 7 1 1 A 14 14 LYS CB C 14 36.077 36.335 -0.258 1
1 93 . 7 1 1 A 14 14 LYS C C 14 175.154 174.701 0.453 1
1 94 . 7 1 1 A 15 15 CYS N N 15 127.993 124.370 3.623 1
1 95 . 7 1 1 A 15 15 CYS H H 15 9.322 8.830 0.492 1
1 96 . 7 1 1 A 15 15 CYS CA C 15 59.441 58.013 1.428 1
1 97 . 7 1 1 A 15 15 CYS HA H 15 4.526 4.847 -0.321 1
1 98 . 7 1 1 A 15 15 CYS CB C 15 29.639 29.176 0.463 1
1 101 . 7 1 1 A 15 15 CYS C C 15 176.800 175.648 1.152 1
1 102 . 7 1 1 A 16 16 ASN CA C 16 55.581 52.316 3.265 1
1 103 . 7 1 1 A 16 16 ASN HA H 16 4.498 4.936 -0.438 1
1 104 . 7 1 1 A 16 16 ASN CB C 16 38.278 37.632 0.646 1
1 110 . 7 1 1 A 16 16 ASN C C 16 175.404 176.249 -0.845 1
1 111 . 7 1 1 A 17 17 GLU N N 17 120.838 120.928 -0.090 1
1 112 . 7 1 1 A 17 17 GLU H H 17 8.709 8.028 0.681 1
1 113 . 7 1 1 A 17 17 GLU CA C 17 58.732 57.182 1.550 1
1 114 . 7 1 1 A 17 17 GLU HA H 17 4.180 4.535 -0.355 1
1 115 . 7 1 1 A 17 17 GLU CB C 17 29.321 31.662 -2.341 1
1 121 . 7 1 1 A 17 17 GLU C C 17 177.142 177.916 -0.774 1
1 122 . 7 1 1 A 18 18 CYS N N 18 114.657 114.609 0.048 1
1 123 . 7 1 1 A 18 18 CYS H H 18 7.916 8.148 -0.232 1
1 124 . 7 1 1 A 18 18 CYS CA C 18 58.276 59.881 -1.605 1
1 125 . 7 1 1 A 18 18 CYS HA H 18 5.140 4.762 0.378 1
1 126 . 7 1 1 A 18 18 CYS CB C 18 32.360 29.883 2.477 1
1 129 . 7 1 1 A 18 18 CYS C C 18 176.225 175.372 0.853 1
1 130 . 7 1 1 A 19 19 GLY N N 19 113.624 108.921 4.703 1
1 131 . 7 1 1 A 19 19 GLY H H 19 8.162 8.257 -0.095 1
1 132 . 7 1 1 A 19 19 GLY CA C 19 46.220 46.144 0.076 1
1 133 . 7 1 1 A 19 19 GLY HA2 H 19 3.703 4.088 -0.385 1
1 134 . 7 1 1 A 19 19 GLY HA3 H 19 4.211 4.093 0.118 1
1 135 . 7 1 1 A 19 19 GLY C C 19 173.525 173.899 -0.374 1
1 136 . 7 1 1 A 20 20 LYS N N 20 122.667 119.434 3.233 1
1 137 . 7 1 1 A 20 20 LYS H H 20 7.889 7.895 -0.006 1
1 138 . 7 1 1 A 20 20 LYS CA C 20 58.257 54.194 4.063 1
1 139 . 7 1 1 A 20 20 LYS HA H 20 3.946 4.714 -0.768 1
1 140 . 7 1 1 A 20 20 LYS CB C 20 33.797 36.130 -2.333 1
1 152 . 7 1 1 A 20 20 LYS C C 20 174.228 174.855 -0.627 1
1 153 . 7 1 1 A 21 21 VAL N N 21 117.585 118.215 -0.630 1
1 154 . 7 1 1 A 21 21 VAL H H 21 7.598 8.698 -1.100 1
1 155 . 7 1 1 A 21 21 VAL CA C 21 60.474 60.083 0.391 1
1 156 . 7 1 1 A 21 21 VAL HA H 21 4.740 5.238 -0.498 1
1 157 . 7 1 1 A 21 21 VAL CB C 21 33.927 33.735 0.192 1
1 167 . 7 1 1 A 21 21 VAL C C 21 175.205 174.525 0.680 1
1 168 . 7 1 1 A 22 22 PHE N N 22 121.649 119.633 2.016 1
1 169 . 7 1 1 A 22 22 PHE H H 22 8.733 8.802 -0.069 1
1 170 . 7 1 1 A 22 22 PHE CA C 22 56.779 56.471 0.308 1
1 171 . 7 1 1 A 22 22 PHE HA H 22 4.897 4.999 -0.102 1
1 172 . 7 1 1 A 22 22 PHE CB C 22 43.417 43.909 -0.492 1
1 185 . 7 1 1 A 22 22 PHE C C 22 175.652 175.600 0.052 1
1 186 . 7 1 1 A 23 23 THR N N 23 111.274 115.954 -4.680 1
1 187 . 7 1 1 A 23 23 THR H H 23 9.494 8.781 0.713 1
1 188 . 7 1 1 A 23 23 THR CA C 23 63.213 63.353 -0.140 1
1 189 . 7 1 1 A 23 23 THR HA H 23 4.528 4.432 0.096 1
1 190 . 7 1 1 A 23 23 THR CB C 23 69.708 70.099 -0.391 1
1 196 . 7 1 1 A 23 23 THR C C 23 174.881 173.679 1.202 1
1 197 . 7 1 1 A 24 24 GLN N N 24 115.450 120.527 -5.077 1
1 198 . 7 1 1 A 24 24 GLN H H 24 7.058 7.649 -0.591 1
1 199 . 7 1 1 A 24 24 GLN CA C 24 53.963 54.196 -0.233 1
1 200 . 7 1 1 A 24 24 GLN HA H 24 4.452 4.321 0.131 1
1 201 . 7 1 1 A 24 24 GLN CB C 24 31.851 30.267 1.584 1
1 210 . 7 1 1 A 24 24 GLN C C 24 175.682 175.537 0.145 1
1 211 . 7 1 1 A 25 25 ASN CA C 25 56.596 56.935 -0.339 1
1 212 . 7 1 1 A 25 25 ASN HA H 25 3.560 4.167 -0.607 1
1 213 . 7 1 1 A 25 25 ASN CB C 25 38.675 38.476 0.199 1
1 219 . 7 1 1 A 26 26 SER CA C 26 61.163 61.686 -0.523 1
1 220 . 7 1 1 A 26 26 SER HA H 26 3.881 4.093 -0.212 1
1 221 . 7 1 1 A 26 26 SER CB C 26 61.444 63.236 -1.792 1
1 224 . 7 1 1 A 26 26 SER C C 26 177.103 177.367 -0.264 1
1 225 . 7 1 1 A 27 27 HIS N N 27 120.980 119.135 1.845 1
1 226 . 7 1 1 A 27 27 HIS H H 27 6.699 8.172 -1.473 1
1 227 . 7 1 1 A 27 27 HIS CA C 27 56.939 58.684 -1.745 1
1 228 . 7 1 1 A 27 27 HIS HA H 27 4.344 4.244 0.100 1
1 229 . 7 1 1 A 27 27 HIS CB C 27 31.831 29.508 2.323 1
1 236 . 7 1 1 A 27 27 HIS C C 27 177.849 177.547 0.302 1
1 237 . 7 1 1 A 28 28 LEU N N 28 122.679 120.329 2.350 1
1 238 . 7 1 1 A 28 28 LEU H H 28 6.876 7.482 -0.606 1
1 239 . 7 1 1 A 28 28 LEU CA C 28 57.700 57.235 0.465 1
1 240 . 7 1 1 A 28 28 LEU HA H 28 3.175 2.985 0.190 1
1 241 . 7 1 1 A 28 28 LEU CB C 28 40.513 41.676 -1.163 1
1 254 . 7 1 1 A 28 28 LEU C C 28 177.396 178.411 -1.015 1
1 255 . 7 1 1 A 29 29 VAL N N 29 119.083 119.458 -0.375 1
1 256 . 7 1 1 A 29 29 VAL H H 29 8.251 8.223 0.028 1
1 257 . 7 1 1 A 29 29 VAL CA C 29 66.791 67.146 -0.355 1
1 258 . 7 1 1 A 29 29 VAL HA H 29 3.372 3.448 -0.076 1
1 259 . 7 1 1 A 29 29 VAL CB C 29 31.749 31.394 0.355 1
1 269 . 7 1 1 A 29 29 VAL C C 29 178.979 178.283 0.696 1
1 270 . 7 1 1 A 30 30 ARG N N 30 118.008 120.094 -2.086 1
1 271 . 7 1 1 A 30 30 ARG H H 30 7.431 8.104 -0.673 1
1 272 . 7 1 1 A 30 30 ARG CA C 30 58.827 59.241 -0.414 1
1 273 . 7 1 1 A 30 30 ARG HA H 30 3.988 3.958 0.030 1
1 274 . 7 1 1 A 30 30 ARG CB C 30 30.154 29.869 0.285 1
1 283 . 7 1 1 A 30 30 ARG C C 30 178.629 178.649 -0.020 1
1 284 . 7 1 1 A 31 31 HIS N N 31 119.261 119.345 -0.084 1
1 285 . 7 1 1 A 31 31 HIS H H 31 7.645 7.889 -0.244 1
1 286 . 7 1 1 A 31 31 HIS CA C 31 58.859 60.031 -1.172 1
1 287 . 7 1 1 A 31 31 HIS HA H 31 4.182 4.212 -0.030 1
1 288 . 7 1 1 A 31 31 HIS CB C 31 28.757 29.353 -0.596 1
1 295 . 7 1 1 A 31 31 HIS C C 31 175.828 176.992 -1.164 1
1 296 . 7 1 1 A 32 32 ARG N N 32 115.529 117.441 -1.912 1
1 297 . 7 1 1 A 32 32 ARG H H 32 8.072 8.084 -0.012 1
1 298 . 7 1 1 A 32 32 ARG CA C 32 59.996 58.975 1.021 1
1 299 . 7 1 1 A 32 32 ARG HA H 32 3.724 3.899 -0.175 1
1 300 . 7 1 1 A 32 32 ARG CB C 32 29.913 29.866 0.047 1
1 309 . 7 1 1 A 32 32 ARG C C 32 178.047 179.832 -1.785 1
1 310 . 7 1 1 A 33 33 GLY N N 33 105.489 107.853 -2.364 1
1 311 . 7 1 1 A 33 33 GLY H H 33 7.514 8.305 -0.791 1
1 312 . 7 1 1 A 33 33 GLY CA C 33 46.567 47.221 -0.654 1
1 313 . 7 1 1 A 33 33 GLY HA2 H 33 3.988 3.657 0.331 1
1 314 . 7 1 1 A 33 33 GLY HA3 H 33 3.867 3.672 0.195 1
1 315 . 7 1 1 A 33 33 GLY C C 33 175.858 176.237 -0.379 1
1 316 . 7 1 1 A 34 34 ILE N N 34 118.370 119.656 -1.286 1
1 317 . 7 1 1 A 34 34 ILE H H 34 7.808 8.018 -0.210 1
1 318 . 7 1 1 A 34 34 ILE CA C 34 62.704 64.385 -1.681 1
1 319 . 7 1 1 A 34 34 ILE HA H 34 4.015 3.738 0.277 1
1 320 . 7 1 1 A 34 34 ILE CB C 34 37.645 37.121 0.524 1
1 333 . 7 1 1 A 34 34 ILE C C 34 177.413 178.025 -0.612 1
1 334 . 7 1 1 A 35 35 HIS N N 35 117.927 119.326 -1.399 1
1 335 . 7 1 1 A 35 35 HIS H H 35 7.318 7.664 -0.346 1
1 336 . 7 1 1 A 35 35 HIS CA C 35 55.214 59.192 -3.978 1
1 337 . 7 1 1 A 35 35 HIS HA H 35 4.843 4.368 0.475 1
1 338 . 7 1 1 A 35 35 HIS CB C 35 28.625 31.045 -2.420 1
1 345 . 7 1 1 A 35 35 HIS C C 35 175.767 175.656 0.111 1
1 346 . 7 1 1 A 36 36 THR N N 36 111.953 111.522 0.431 1
1 347 . 7 1 1 A 36 36 THR H H 36 7.787 7.380 0.407 1
1 348 . 7 1 1 A 36 36 THR CA C 36 62.359 62.138 0.221 1
1 349 . 7 1 1 A 36 36 THR HA H 36 4.329 4.221 0.108 1
1 350 . 7 1 1 A 36 36 THR CB C 36 69.674 69.745 -0.071 1
1 356 . 7 1 1 A 36 36 THR C C 36 175.402 174.732 0.670 1
1 357 . 7 1 1 A 37 37 GLY N N 37 110.854 109.421 1.433 1
1 358 . 7 1 1 A 37 37 GLY H H 37 8.240 8.434 -0.194 1
1 359 . 7 1 1 A 37 37 GLY CA C 37 45.374 45.729 -0.355 1
1 360 . 7 1 1 A 37 37 GLY HA2 H 37 3.969 4.133 -0.164 1
1 361 . 7 1 1 A 37 37 GLY HA3 H 37 3.969 4.135 -0.166 1
1 362 . 7 1 1 A 37 37 GLY C C 37 174.095 174.304 -0.209 1
1 363 . 7 1 1 A 38 38 GLU N N 38 120.594 113.145 7.449 1
1 364 . 7 1 1 A 38 38 GLU H H 38 8.078 8.223 -0.145 1
1 365 . 7 1 1 A 38 38 GLU CA C 38 56.370 57.747 -1.377 1
1 366 . 7 1 1 A 38 38 GLU HA H 38 4.216 3.846 0.370 1
1 367 . 7 1 1 A 38 38 GLU CB C 38 30.465 27.162 3.303 1
1 373 . 7 1 1 A 38 38 GLU C C 38 176.250 174.726 1.524 1
1 374 . 7 1 1 A 39 39 LYS N N 39 123.816 117.821 5.995 1
1 375 . 7 1 1 A 39 39 LYS H H 39 8.397 7.679 0.718 1
1 376 . 7 1 1 A 39 39 LYS CA C 39 54.085 52.984 1.101 1
1 377 . 7 1 1 A 39 39 LYS HA H 39 4.574 4.743 -0.169 1
1 378 . 7 1 1 A 39 39 LYS CB C 39 32.412 34.737 -2.325 1
1 385 . 7 1 1 A 39 39 LYS C C 39 174.477 174.292 0.185 1
1 386 . 7 1 1 A 40 40 PRO CA C 40 63.185 62.378 0.807 1
1 387 . 7 1 1 A 40 40 PRO HA H 40 4.439 4.652 -0.213 1
1 388 . 7 1 1 A 40 40 PRO CB C 40 32.140 33.287 -1.147 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.463 46.050 -0.587 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.028 4.205 -0.177 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.028 4.205 -0.177 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.552 172.935 1.617 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.866 119.510 -6.644 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.147 8.470 -0.323 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.817 64.042 -2.225 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.339 4.409 -0.070 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.759 68.645 1.114 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.264 175.299 -0.035 1
1 16 . 8 1 1 A 9 9 GLY N N 9 111.067 115.071 -4.004 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.443 8.978 -0.535 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.274 46.342 -1.068 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.943 3.960 -0.017 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.943 3.964 -0.021 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.030 173.596 0.434 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.578 123.973 -3.395 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.208 8.156 0.052 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.472 55.241 1.231 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.219 5.030 -0.811 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.440 32.336 -1.896 1
1 31 . 8 1 1 A 10 10 GLU C C 10 176.263 174.714 1.549 1
1 32 . 8 1 1 A 11 11 LYS N N 11 123.011 126.234 -3.223 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.294 8.889 -0.595 1
1 34 . 8 1 1 A 11 11 LYS CA C 11 53.808 53.239 0.569 1
1 35 . 8 1 1 A 11 11 LYS HA H 11 4.507 4.791 -0.284 1
1 36 . 8 1 1 A 11 11 LYS CB C 11 32.578 33.297 -0.719 1
1 48 . 8 1 1 A 11 11 LYS C C 11 174.019 176.470 -2.451 1
1 49 . 8 1 1 A 12 12 PRO CA C 12 62.899 64.371 -1.472 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.290 4.374 -0.084 1
1 51 . 8 1 1 A 12 12 PRO CB C 12 32.252 31.533 0.719 1
1 60 . 8 1 1 A 12 12 PRO C C 12 176.475 175.814 0.661 1
1 61 . 8 1 1 A 13 13 TYR N N 13 119.889 118.739 1.150 1
1 62 . 8 1 1 A 13 13 TYR H H 13 8.093 7.683 0.410 1
1 63 . 8 1 1 A 13 13 TYR CA C 13 57.162 56.648 0.514 1
1 64 . 8 1 1 A 13 13 TYR HA H 13 4.587 5.005 -0.418 1
1 65 . 8 1 1 A 13 13 TYR CB C 13 38.013 39.527 -1.514 1
1 76 . 8 1 1 A 13 13 TYR C C 13 174.036 174.409 -0.373 1
1 77 . 8 1 1 A 14 14 LYS N N 14 124.683 124.933 -0.250 1
1 78 . 8 1 1 A 14 14 LYS H H 14 8.350 8.948 -0.598 1
1 79 . 8 1 1 A 14 14 LYS CA C 14 54.699 54.606 0.093 1
1 80 . 8 1 1 A 14 14 LYS HA H 14 5.082 5.397 -0.315 1
1 81 . 8 1 1 A 14 14 LYS CB C 14 36.077 36.514 -0.437 1
1 93 . 8 1 1 A 14 14 LYS C C 14 175.154 174.363 0.791 1
1 94 . 8 1 1 A 15 15 CYS N N 15 127.993 123.597 4.396 1
1 95 . 8 1 1 A 15 15 CYS H H 15 9.322 8.999 0.323 1
1 96 . 8 1 1 A 15 15 CYS CA C 15 59.441 58.108 1.333 1
1 97 . 8 1 1 A 15 15 CYS HA H 15 4.526 4.797 -0.271 1
1 98 . 8 1 1 A 15 15 CYS CB C 15 29.639 28.988 0.651 1
1 101 . 8 1 1 A 15 15 CYS C C 15 176.800 175.677 1.123 1
1 102 . 8 1 1 A 16 16 ASN CA C 16 55.581 53.056 2.525 1
1 103 . 8 1 1 A 16 16 ASN HA H 16 4.498 4.920 -0.422 1
1 104 . 8 1 1 A 16 16 ASN CB C 16 38.278 38.680 -0.402 1
1 110 . 8 1 1 A 16 16 ASN C C 16 175.404 175.661 -0.257 1
1 111 . 8 1 1 A 17 17 GLU N N 17 120.838 118.034 2.804 1
1 112 . 8 1 1 A 17 17 GLU H H 17 8.709 8.008 0.701 1
1 113 . 8 1 1 A 17 17 GLU CA C 17 58.732 57.283 1.449 1
1 114 . 8 1 1 A 17 17 GLU HA H 17 4.180 4.504 -0.324 1
1 115 . 8 1 1 A 17 17 GLU CB C 17 29.321 31.891 -2.570 1
1 121 . 8 1 1 A 17 17 GLU C C 17 177.142 177.931 -0.789 1
1 122 . 8 1 1 A 18 18 CYS N N 18 114.657 115.129 -0.472 1
1 123 . 8 1 1 A 18 18 CYS H H 18 7.916 8.105 -0.189 1
1 124 . 8 1 1 A 18 18 CYS CA C 18 58.276 59.728 -1.452 1
1 125 . 8 1 1 A 18 18 CYS HA H 18 5.140 4.785 0.355 1
1 126 . 8 1 1 A 18 18 CYS CB C 18 32.360 29.982 2.378 1
1 129 . 8 1 1 A 18 18 CYS C C 18 176.225 175.543 0.682 1
1 130 . 8 1 1 A 19 19 GLY N N 19 113.624 109.622 4.002 1
1 131 . 8 1 1 A 19 19 GLY H H 19 8.162 8.226 -0.064 1
1 132 . 8 1 1 A 19 19 GLY CA C 19 46.220 45.805 0.415 1
1 133 . 8 1 1 A 19 19 GLY HA2 H 19 3.703 4.068 -0.365 1
1 134 . 8 1 1 A 19 19 GLY HA3 H 19 4.211 4.069 0.142 1
1 135 . 8 1 1 A 19 19 GLY C C 19 173.525 173.710 -0.185 1
1 136 . 8 1 1 A 20 20 LYS N N 20 122.667 120.069 2.598 1
1 137 . 8 1 1 A 20 20 LYS H H 20 7.889 7.745 0.144 1
1 138 . 8 1 1 A 20 20 LYS CA C 20 58.257 54.918 3.339 1
1 139 . 8 1 1 A 20 20 LYS HA H 20 3.946 4.951 -1.005 1
1 140 . 8 1 1 A 20 20 LYS CB C 20 33.797 35.573 -1.776 1
1 152 . 8 1 1 A 20 20 LYS C C 20 174.228 174.483 -0.255 1
1 153 . 8 1 1 A 21 21 VAL N N 21 117.585 120.849 -3.264 1
1 154 . 8 1 1 A 21 21 VAL H H 21 7.598 8.750 -1.152 1
1 155 . 8 1 1 A 21 21 VAL CA C 21 60.474 60.127 0.347 1
1 156 . 8 1 1 A 21 21 VAL HA H 21 4.740 5.293 -0.553 1
1 157 . 8 1 1 A 21 21 VAL CB C 21 33.927 33.789 0.138 1
1 167 . 8 1 1 A 21 21 VAL C C 21 175.205 174.671 0.534 1
1 168 . 8 1 1 A 22 22 PHE N N 22 121.649 120.320 1.329 1
1 169 . 8 1 1 A 22 22 PHE H H 22 8.733 8.622 0.111 1
1 170 . 8 1 1 A 22 22 PHE CA C 22 56.779 56.705 0.074 1
1 171 . 8 1 1 A 22 22 PHE HA H 22 4.897 4.875 0.022 1
1 172 . 8 1 1 A 22 22 PHE CB C 22 43.417 43.695 -0.278 1
1 185 . 8 1 1 A 22 22 PHE C C 22 175.652 175.562 0.090 1
1 186 . 8 1 1 A 23 23 THR N N 23 111.274 116.458 -5.184 1
1 187 . 8 1 1 A 23 23 THR H H 23 9.494 8.678 0.816 1
1 188 . 8 1 1 A 23 23 THR CA C 23 63.213 63.889 -0.676 1
1 189 . 8 1 1 A 23 23 THR HA H 23 4.528 4.224 0.304 1
1 190 . 8 1 1 A 23 23 THR CB C 23 69.708 69.795 -0.087 1
1 196 . 8 1 1 A 23 23 THR C C 23 174.881 173.837 1.044 1
1 197 . 8 1 1 A 24 24 GLN N N 24 115.450 117.750 -2.300 1
1 198 . 8 1 1 A 24 24 GLN H H 24 7.058 7.511 -0.453 1
1 199 . 8 1 1 A 24 24 GLN CA C 24 53.963 54.207 -0.244 1
1 200 . 8 1 1 A 24 24 GLN HA H 24 4.452 4.423 0.029 1
1 201 . 8 1 1 A 24 24 GLN CB C 24 31.851 31.549 0.302 1
1 210 . 8 1 1 A 24 24 GLN C C 24 175.682 175.623 0.059 1
1 211 . 8 1 1 A 25 25 ASN CA C 25 56.596 55.830 0.766 1
1 212 . 8 1 1 A 25 25 ASN HA H 25 3.560 4.220 -0.660 1
1 213 . 8 1 1 A 25 25 ASN CB C 25 38.675 38.703 -0.028 1
1 219 . 8 1 1 A 26 26 SER CA C 26 61.163 61.633 -0.470 1
1 220 . 8 1 1 A 26 26 SER HA H 26 3.881 4.171 -0.290 1
1 221 . 8 1 1 A 26 26 SER CB C 26 61.444 62.535 -1.091 1
1 224 . 8 1 1 A 26 26 SER C C 26 177.103 177.362 -0.259 1
1 225 . 8 1 1 A 27 27 HIS N N 27 120.980 118.618 2.362 1
1 226 . 8 1 1 A 27 27 HIS H H 27 6.699 7.948 -1.249 1
1 227 . 8 1 1 A 27 27 HIS CA C 27 56.939 58.838 -1.899 1
1 228 . 8 1 1 A 27 27 HIS HA H 27 4.344 4.229 0.115 1
1 229 . 8 1 1 A 27 27 HIS CB C 27 31.831 30.077 1.754 1
1 236 . 8 1 1 A 27 27 HIS C C 27 177.849 177.183 0.666 1
1 237 . 8 1 1 A 28 28 LEU N N 28 122.679 120.493 2.186 1
1 238 . 8 1 1 A 28 28 LEU H H 28 6.876 7.750 -0.874 1
1 239 . 8 1 1 A 28 28 LEU CA C 28 57.700 57.837 -0.137 1
1 240 . 8 1 1 A 28 28 LEU HA H 28 3.175 2.793 0.382 1
1 241 . 8 1 1 A 28 28 LEU CB C 28 40.513 41.448 -0.935 1
1 254 . 8 1 1 A 28 28 LEU C C 28 177.396 178.566 -1.170 1
1 255 . 8 1 1 A 29 29 VAL N N 29 119.083 119.584 -0.501 1
1 256 . 8 1 1 A 29 29 VAL H H 29 8.251 7.937 0.314 1
1 257 . 8 1 1 A 29 29 VAL CA C 29 66.791 66.751 0.040 1
1 258 . 8 1 1 A 29 29 VAL HA H 29 3.372 3.587 -0.215 1
1 259 . 8 1 1 A 29 29 VAL CB C 29 31.749 31.516 0.233 1
1 269 . 8 1 1 A 29 29 VAL C C 29 178.979 177.801 1.178 1
1 270 . 8 1 1 A 30 30 ARG N N 30 118.008 119.128 -1.120 1
1 271 . 8 1 1 A 30 30 ARG H H 30 7.431 7.548 -0.117 1
1 272 . 8 1 1 A 30 30 ARG CA C 30 58.827 59.792 -0.965 1
1 273 . 8 1 1 A 30 30 ARG HA H 30 3.988 3.979 0.009 1
1 274 . 8 1 1 A 30 30 ARG CB C 30 30.154 29.994 0.160 1
1 283 . 8 1 1 A 30 30 ARG C C 30 178.629 178.470 0.159 1
1 284 . 8 1 1 A 31 31 HIS N N 31 119.261 119.690 -0.429 1
1 285 . 8 1 1 A 31 31 HIS H H 31 7.645 7.935 -0.290 1
1 286 . 8 1 1 A 31 31 HIS CA C 31 58.859 59.885 -1.026 1
1 287 . 8 1 1 A 31 31 HIS HA H 31 4.182 4.163 0.019 1
1 288 . 8 1 1 A 31 31 HIS CB C 31 28.757 29.539 -0.782 1
1 295 . 8 1 1 A 31 31 HIS C C 31 175.828 176.522 -0.694 1
1 296 . 8 1 1 A 32 32 ARG N N 32 115.529 117.148 -1.619 1
1 297 . 8 1 1 A 32 32 ARG H H 32 8.072 8.088 -0.016 1
1 298 . 8 1 1 A 32 32 ARG CA C 32 59.996 58.988 1.008 1
1 299 . 8 1 1 A 32 32 ARG HA H 32 3.724 4.043 -0.319 1
1 300 . 8 1 1 A 32 32 ARG CB C 32 29.913 29.821 0.092 1
1 309 . 8 1 1 A 32 32 ARG C C 32 178.047 179.841 -1.794 1
1 310 . 8 1 1 A 33 33 GLY N N 33 105.489 108.449 -2.960 1
1 311 . 8 1 1 A 33 33 GLY H H 33 7.514 8.610 -1.096 1
1 312 . 8 1 1 A 33 33 GLY CA C 33 46.567 47.204 -0.637 1
1 313 . 8 1 1 A 33 33 GLY HA2 H 33 3.988 3.729 0.259 1
1 314 . 8 1 1 A 33 33 GLY HA3 H 33 3.867 3.744 0.123 1
1 315 . 8 1 1 A 33 33 GLY C C 33 175.858 175.938 -0.080 1
1 316 . 8 1 1 A 34 34 ILE N N 34 118.370 119.046 -0.676 1
1 317 . 8 1 1 A 34 34 ILE H H 34 7.808 8.141 -0.333 1
1 318 . 8 1 1 A 34 34 ILE CA C 34 62.704 63.946 -1.242 1
1 319 . 8 1 1 A 34 34 ILE HA H 34 4.015 3.887 0.128 1
1 320 . 8 1 1 A 34 34 ILE CB C 34 37.645 37.054 0.591 1
1 333 . 8 1 1 A 34 34 ILE C C 34 177.413 176.456 0.957 1
1 334 . 8 1 1 A 35 35 HIS N N 35 117.927 119.910 -1.983 1
1 335 . 8 1 1 A 35 35 HIS H H 35 7.318 8.081 -0.763 1
1 336 . 8 1 1 A 35 35 HIS CA C 35 55.214 54.438 0.776 1
1 337 . 8 1 1 A 35 35 HIS HA H 35 4.843 4.611 0.232 1
1 338 . 8 1 1 A 35 35 HIS CB C 35 28.625 27.285 1.340 1
1 345 . 8 1 1 A 35 35 HIS C C 35 175.767 173.433 2.334 1
1 346 . 8 1 1 A 36 36 THR N N 36 111.953 111.149 0.804 1
1 347 . 8 1 1 A 36 36 THR H H 36 7.787 8.075 -0.288 1
1 348 . 8 1 1 A 36 36 THR CA C 36 62.359 59.803 2.556 1
1 349 . 8 1 1 A 36 36 THR HA H 36 4.329 4.824 -0.495 1
1 350 . 8 1 1 A 36 36 THR CB C 36 69.674 71.792 -2.118 1
1 356 . 8 1 1 A 36 36 THR C C 36 175.402 174.586 0.816 1
1 357 . 8 1 1 A 37 37 GLY N N 37 110.854 112.467 -1.613 1
1 358 . 8 1 1 A 37 37 GLY H H 37 8.240 8.670 -0.430 1
1 359 . 8 1 1 A 37 37 GLY CA C 37 45.374 45.355 0.019 1
1 360 . 8 1 1 A 37 37 GLY HA2 H 37 3.969 3.975 -0.006 1
1 361 . 8 1 1 A 37 37 GLY HA3 H 37 3.969 3.980 -0.011 1
1 362 . 8 1 1 A 37 37 GLY C C 37 174.095 174.937 -0.842 1
1 363 . 8 1 1 A 38 38 GLU N N 38 120.594 121.358 -0.764 1
1 364 . 8 1 1 A 38 38 GLU H H 38 8.078 8.203 -0.125 1
1 365 . 8 1 1 A 38 38 GLU CA C 38 56.370 58.262 -1.892 1
1 366 . 8 1 1 A 38 38 GLU HA H 38 4.216 4.242 -0.026 1
1 367 . 8 1 1 A 38 38 GLU CB C 38 30.465 30.396 0.069 1
1 373 . 8 1 1 A 38 38 GLU C C 38 176.250 176.137 0.113 1
1 374 . 8 1 1 A 39 39 LYS N N 39 123.816 117.725 6.091 1
1 375 . 8 1 1 A 39 39 LYS H H 39 8.397 7.845 0.552 1
1 376 . 8 1 1 A 39 39 LYS CA C 39 54.085 56.806 -2.721 1
1 377 . 8 1 1 A 39 39 LYS HA H 39 4.574 3.959 0.615 1
1 378 . 8 1 1 A 39 39 LYS CB C 39 32.412 30.541 1.871 1
1 385 . 8 1 1 A 39 39 LYS C C 39 174.477 174.412 0.065 1
1 386 . 8 1 1 A 40 40 PRO CA C 40 63.185 62.918 0.267 1
1 387 . 8 1 1 A 40 40 PRO HA H 40 4.439 4.513 -0.074 1
1 388 . 8 1 1 A 40 40 PRO CB C 40 32.140 32.184 -0.044 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.463 46.059 -0.596 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.028 3.975 0.053 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.028 3.976 0.052 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.552 173.425 1.127 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.866 113.943 -1.077 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.147 7.587 0.560 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.817 60.219 1.598 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.339 4.826 -0.487 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.759 71.001 -1.242 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.264 172.551 2.713 1
1 16 . 9 1 1 A 9 9 GLY N N 9 111.067 114.095 -3.028 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.443 8.575 -0.132 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.274 45.724 -0.450 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.943 4.012 -0.069 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.943 4.012 -0.069 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.030 172.557 1.473 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.578 122.504 -1.926 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.208 8.607 -0.399 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.472 55.067 1.405 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.219 4.829 -0.610 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.440 31.337 -0.897 1
1 31 . 9 1 1 A 10 10 GLU C C 10 176.263 175.341 0.922 1
1 32 . 9 1 1 A 11 11 LYS N N 11 123.011 126.074 -3.063 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.294 8.931 -0.637 1
1 34 . 9 1 1 A 11 11 LYS CA C 11 53.808 53.024 0.784 1
1 35 . 9 1 1 A 11 11 LYS HA H 11 4.507 4.796 -0.289 1
1 36 . 9 1 1 A 11 11 LYS CB C 11 32.578 33.249 -0.671 1
1 48 . 9 1 1 A 11 11 LYS C C 11 174.019 176.305 -2.286 1
1 49 . 9 1 1 A 12 12 PRO CA C 12 62.899 64.089 -1.190 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.290 4.453 -0.163 1
1 51 . 9 1 1 A 12 12 PRO CB C 12 32.252 31.431 0.821 1
1 60 . 9 1 1 A 12 12 PRO C C 12 176.475 175.650 0.825 1
1 61 . 9 1 1 A 13 13 TYR N N 13 119.889 119.036 0.853 1
1 62 . 9 1 1 A 13 13 TYR H H 13 8.093 7.645 0.448 1
1 63 . 9 1 1 A 13 13 TYR CA C 13 57.162 56.922 0.240 1
1 64 . 9 1 1 A 13 13 TYR HA H 13 4.587 5.262 -0.675 1
1 65 . 9 1 1 A 13 13 TYR CB C 13 38.013 40.972 -2.959 1
1 76 . 9 1 1 A 13 13 TYR C C 13 174.036 174.552 -0.516 1
1 77 . 9 1 1 A 14 14 LYS N N 14 124.683 123.540 1.143 1
1 78 . 9 1 1 A 14 14 LYS H H 14 8.350 8.834 -0.484 1
1 79 . 9 1 1 A 14 14 LYS CA C 14 54.699 55.231 -0.532 1
1 80 . 9 1 1 A 14 14 LYS HA H 14 5.082 4.997 0.085 1
1 81 . 9 1 1 A 14 14 LYS CB C 14 36.077 36.391 -0.314 1
1 93 . 9 1 1 A 14 14 LYS C C 14 175.154 174.502 0.652 1
1 94 . 9 1 1 A 15 15 CYS N N 15 127.993 124.322 3.671 1
1 95 . 9 1 1 A 15 15 CYS H H 15 9.322 9.293 0.029 1
1 96 . 9 1 1 A 15 15 CYS CA C 15 59.441 59.255 0.186 1
1 97 . 9 1 1 A 15 15 CYS HA H 15 4.526 4.684 -0.158 1
1 98 . 9 1 1 A 15 15 CYS CB C 15 29.639 28.284 1.355 1
1 101 . 9 1 1 A 15 15 CYS C C 15 176.800 176.039 0.761 1
1 102 . 9 1 1 A 16 16 ASN CA C 16 55.581 52.285 3.296 1
1 103 . 9 1 1 A 16 16 ASN HA H 16 4.498 4.940 -0.442 1
1 104 . 9 1 1 A 16 16 ASN CB C 16 38.278 37.928 0.350 1
1 110 . 9 1 1 A 16 16 ASN C C 16 175.404 176.136 -0.732 1
1 111 . 9 1 1 A 17 17 GLU N N 17 120.838 120.478 0.360 1
1 112 . 9 1 1 A 17 17 GLU H H 17 8.709 8.003 0.706 1
1 113 . 9 1 1 A 17 17 GLU CA C 17 58.732 57.024 1.708 1
1 114 . 9 1 1 A 17 17 GLU HA H 17 4.180 4.394 -0.214 1
1 115 . 9 1 1 A 17 17 GLU CB C 17 29.321 31.737 -2.416 1
1 121 . 9 1 1 A 17 17 GLU C C 17 177.142 177.744 -0.602 1
1 122 . 9 1 1 A 18 18 CYS N N 18 114.657 114.774 -0.117 1
1 123 . 9 1 1 A 18 18 CYS H H 18 7.916 8.095 -0.179 1
1 124 . 9 1 1 A 18 18 CYS CA C 18 58.276 59.490 -1.214 1
1 125 . 9 1 1 A 18 18 CYS HA H 18 5.140 4.683 0.457 1
1 126 . 9 1 1 A 18 18 CYS CB C 18 32.360 30.170 2.190 1
1 129 . 9 1 1 A 18 18 CYS C C 18 176.225 175.459 0.766 1
1 130 . 9 1 1 A 19 19 GLY N N 19 113.624 110.085 3.539 1
1 131 . 9 1 1 A 19 19 GLY H H 19 8.162 8.345 -0.183 1
1 132 . 9 1 1 A 19 19 GLY CA C 19 46.220 45.670 0.550 1
1 133 . 9 1 1 A 19 19 GLY HA2 H 19 3.703 4.069 -0.366 1
1 134 . 9 1 1 A 19 19 GLY HA3 H 19 4.211 4.080 0.131 1
1 135 . 9 1 1 A 19 19 GLY C C 19 173.525 173.983 -0.458 1
1 136 . 9 1 1 A 20 20 LYS N N 20 122.667 120.220 2.447 1
1 137 . 9 1 1 A 20 20 LYS H H 20 7.889 7.729 0.160 1
1 138 . 9 1 1 A 20 20 LYS CA C 20 58.257 54.801 3.456 1
1 139 . 9 1 1 A 20 20 LYS HA H 20 3.946 4.753 -0.807 1
1 140 . 9 1 1 A 20 20 LYS CB C 20 33.797 35.262 -1.465 1
1 152 . 9 1 1 A 20 20 LYS C C 20 174.228 175.067 -0.839 1
1 153 . 9 1 1 A 21 21 VAL N N 21 117.585 121.117 -3.532 1
1 154 . 9 1 1 A 21 21 VAL H H 21 7.598 8.870 -1.272 1
1 155 . 9 1 1 A 21 21 VAL CA C 21 60.474 60.213 0.261 1
1 156 . 9 1 1 A 21 21 VAL HA H 21 4.740 5.239 -0.499 1
1 157 . 9 1 1 A 21 21 VAL CB C 21 33.927 33.826 0.101 1
1 167 . 9 1 1 A 21 21 VAL C C 21 175.205 174.808 0.397 1
1 168 . 9 1 1 A 22 22 PHE N N 22 121.649 120.630 1.019 1
1 169 . 9 1 1 A 22 22 PHE H H 22 8.733 8.897 -0.164 1
1 170 . 9 1 1 A 22 22 PHE CA C 22 56.779 56.517 0.262 1
1 171 . 9 1 1 A 22 22 PHE HA H 22 4.897 5.043 -0.146 1
1 172 . 9 1 1 A 22 22 PHE CB C 22 43.417 43.749 -0.332 1
1 185 . 9 1 1 A 22 22 PHE C C 22 175.652 175.855 -0.203 1
1 186 . 9 1 1 A 23 23 THR N N 23 111.274 114.703 -3.429 1
1 187 . 9 1 1 A 23 23 THR H H 23 9.494 8.792 0.702 1
1 188 . 9 1 1 A 23 23 THR CA C 23 63.213 63.336 -0.123 1
1 189 . 9 1 1 A 23 23 THR HA H 23 4.528 4.417 0.111 1
1 190 . 9 1 1 A 23 23 THR CB C 23 69.708 69.337 0.371 1
1 196 . 9 1 1 A 23 23 THR C C 23 174.881 174.419 0.462 1
1 197 . 9 1 1 A 24 24 GLN N N 24 115.450 120.146 -4.696 1
1 198 . 9 1 1 A 24 24 GLN H H 24 7.058 7.822 -0.764 1
1 199 . 9 1 1 A 24 24 GLN CA C 24 53.963 54.458 -0.495 1
1 200 . 9 1 1 A 24 24 GLN HA H 24 4.452 4.454 -0.002 1
1 201 . 9 1 1 A 24 24 GLN CB C 24 31.851 30.498 1.353 1
1 210 . 9 1 1 A 24 24 GLN C C 24 175.682 175.856 -0.174 1
1 211 . 9 1 1 A 25 25 ASN CA C 25 56.596 57.011 -0.415 1
1 212 . 9 1 1 A 25 25 ASN HA H 25 3.560 3.854 -0.294 1
1 213 . 9 1 1 A 25 25 ASN CB C 25 38.675 38.573 0.102 1
1 219 . 9 1 1 A 26 26 SER CA C 26 61.163 61.675 -0.512 1
1 220 . 9 1 1 A 26 26 SER HA H 26 3.881 3.949 -0.068 1
1 221 . 9 1 1 A 26 26 SER CB C 26 61.444 62.930 -1.486 1
1 224 . 9 1 1 A 26 26 SER C C 26 177.103 177.316 -0.213 1
1 225 . 9 1 1 A 27 27 HIS N N 27 120.980 119.099 1.881 1
1 226 . 9 1 1 A 27 27 HIS H H 27 6.699 7.735 -1.036 1
1 227 . 9 1 1 A 27 27 HIS CA C 27 56.939 58.664 -1.725 1
1 228 . 9 1 1 A 27 27 HIS HA H 27 4.344 4.251 0.093 1
1 229 . 9 1 1 A 27 27 HIS CB C 27 31.831 29.831 2.000 1
1 236 . 9 1 1 A 27 27 HIS C C 27 177.849 177.450 0.399 1
1 237 . 9 1 1 A 28 28 LEU N N 28 122.679 120.623 2.056 1
1 238 . 9 1 1 A 28 28 LEU H H 28 6.876 7.505 -0.629 1
1 239 . 9 1 1 A 28 28 LEU CA C 28 57.700 57.622 0.078 1
1 240 . 9 1 1 A 28 28 LEU HA H 28 3.175 2.587 0.588 1
1 241 . 9 1 1 A 28 28 LEU CB C 28 40.513 41.312 -0.799 1
1 254 . 9 1 1 A 28 28 LEU C C 28 177.396 178.419 -1.023 1
1 255 . 9 1 1 A 29 29 VAL N N 29 119.083 118.905 0.178 1
1 256 . 9 1 1 A 29 29 VAL H H 29 8.251 8.378 -0.127 1
1 257 . 9 1 1 A 29 29 VAL CA C 29 66.791 66.869 -0.078 1
1 258 . 9 1 1 A 29 29 VAL HA H 29 3.372 3.449 -0.077 1
1 259 . 9 1 1 A 29 29 VAL CB C 29 31.749 31.560 0.189 1
1 269 . 9 1 1 A 29 29 VAL C C 29 178.979 177.872 1.107 1
1 270 . 9 1 1 A 30 30 ARG N N 30 118.008 120.318 -2.310 1
1 271 . 9 1 1 A 30 30 ARG H H 30 7.431 8.453 -1.022 1
1 272 . 9 1 1 A 30 30 ARG CA C 30 58.827 58.435 0.392 1
1 273 . 9 1 1 A 30 30 ARG HA H 30 3.988 4.074 -0.086 1
1 274 . 9 1 1 A 30 30 ARG CB C 30 30.154 30.177 -0.023 1
1 283 . 9 1 1 A 30 30 ARG C C 30 178.629 178.379 0.250 1
1 284 . 9 1 1 A 31 31 HIS N N 31 119.261 120.188 -0.927 1
1 285 . 9 1 1 A 31 31 HIS H H 31 7.645 7.859 -0.214 1
1 286 . 9 1 1 A 31 31 HIS CA C 31 58.859 59.696 -0.837 1
1 287 . 9 1 1 A 31 31 HIS HA H 31 4.182 4.192 -0.010 1
1 288 . 9 1 1 A 31 31 HIS CB C 31 28.757 29.460 -0.703 1
1 295 . 9 1 1 A 31 31 HIS C C 31 175.828 177.202 -1.374 1
1 296 . 9 1 1 A 32 32 ARG N N 32 115.529 117.390 -1.861 1
1 297 . 9 1 1 A 32 32 ARG H H 32 8.072 8.008 0.064 1
1 298 . 9 1 1 A 32 32 ARG CA C 32 59.996 59.050 0.946 1
1 299 . 9 1 1 A 32 32 ARG HA H 32 3.724 4.077 -0.353 1
1 300 . 9 1 1 A 32 32 ARG CB C 32 29.913 29.922 -0.009 1
1 309 . 9 1 1 A 32 32 ARG C C 32 178.047 179.771 -1.724 1
1 310 . 9 1 1 A 33 33 GLY N N 33 105.489 108.416 -2.927 1
1 311 . 9 1 1 A 33 33 GLY H H 33 7.514 8.048 -0.534 1
1 312 . 9 1 1 A 33 33 GLY CA C 33 46.567 47.349 -0.782 1
1 313 . 9 1 1 A 33 33 GLY HA2 H 33 3.988 3.618 0.370 1
1 314 . 9 1 1 A 33 33 GLY HA3 H 33 3.867 3.644 0.223 1
1 315 . 9 1 1 A 33 33 GLY C C 33 175.858 175.918 -0.060 1
1 316 . 9 1 1 A 34 34 ILE N N 34 118.370 120.024 -1.654 1
1 317 . 9 1 1 A 34 34 ILE H H 34 7.808 7.810 -0.002 1
1 318 . 9 1 1 A 34 34 ILE CA C 34 62.704 64.187 -1.483 1
1 319 . 9 1 1 A 34 34 ILE HA H 34 4.015 3.688 0.327 1
1 320 . 9 1 1 A 34 34 ILE CB C 34 37.645 37.228 0.417 1
1 333 . 9 1 1 A 34 34 ILE C C 34 177.413 177.456 -0.043 1
1 334 . 9 1 1 A 35 35 HIS N N 35 117.927 119.475 -1.548 1
1 335 . 9 1 1 A 35 35 HIS H H 35 7.318 7.189 0.129 1
1 336 . 9 1 1 A 35 35 HIS CA C 35 55.214 58.203 -2.989 1
1 337 . 9 1 1 A 35 35 HIS HA H 35 4.843 4.480 0.363 1
1 338 . 9 1 1 A 35 35 HIS CB C 35 28.625 31.283 -2.658 1
1 345 . 9 1 1 A 35 35 HIS C C 35 175.767 175.461 0.306 1
1 346 . 9 1 1 A 36 36 THR N N 36 111.953 111.878 0.075 1
1 347 . 9 1 1 A 36 36 THR H H 36 7.787 7.896 -0.109 1
1 348 . 9 1 1 A 36 36 THR CA C 36 62.359 60.210 2.149 1
1 349 . 9 1 1 A 36 36 THR HA H 36 4.329 4.685 -0.356 1
1 350 . 9 1 1 A 36 36 THR CB C 36 69.674 70.303 -0.629 1
1 356 . 9 1 1 A 36 36 THR C C 36 175.402 173.366 2.036 1
1 357 . 9 1 1 A 37 37 GLY N N 37 110.854 114.088 -3.234 1
1 358 . 9 1 1 A 37 37 GLY H H 37 8.240 8.480 -0.240 1
1 359 . 9 1 1 A 37 37 GLY CA C 37 45.374 45.544 -0.170 1
1 360 . 9 1 1 A 37 37 GLY HA2 H 37 3.969 4.080 -0.111 1
1 361 . 9 1 1 A 37 37 GLY HA3 H 37 3.969 4.090 -0.121 1
1 362 . 9 1 1 A 37 37 GLY C C 37 174.095 172.626 1.469 1
1 363 . 9 1 1 A 38 38 GLU N N 38 120.594 123.319 -2.725 1
1 364 . 9 1 1 A 38 38 GLU H H 38 8.078 8.396 -0.318 1
1 365 . 9 1 1 A 38 38 GLU CA C 38 56.370 56.761 -0.391 1
1 366 . 9 1 1 A 38 38 GLU HA H 38 4.216 4.532 -0.316 1
1 367 . 9 1 1 A 38 38 GLU CB C 38 30.465 30.459 0.006 1
1 373 . 9 1 1 A 38 38 GLU C C 38 176.250 175.781 0.469 1
1 374 . 9 1 1 A 39 39 LYS N N 39 123.816 124.856 -1.040 1
1 375 . 9 1 1 A 39 39 LYS H H 39 8.397 8.736 -0.339 1
1 376 . 9 1 1 A 39 39 LYS CA C 39 54.085 52.791 1.294 1
1 377 . 9 1 1 A 39 39 LYS HA H 39 4.574 4.971 -0.397 1
1 378 . 9 1 1 A 39 39 LYS CB C 39 32.412 33.839 -1.427 1
1 385 . 9 1 1 A 39 39 LYS C C 39 174.477 174.433 0.044 1
1 386 . 9 1 1 A 40 40 PRO CA C 40 63.185 62.731 0.454 1
1 387 . 9 1 1 A 40 40 PRO HA H 40 4.439 4.638 -0.199 1
1 388 . 9 1 1 A 40 40 PRO CB C 40 32.140 31.945 0.195 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.463 45.287 0.176 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.028 4.067 -0.039 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.028 4.068 -0.040 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.552 173.509 1.043 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.866 112.334 0.532 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.147 8.564 -0.417 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.817 61.809 0.008 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.339 4.451 -0.112 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.759 69.538 0.221 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.264 174.947 0.317 1
1 16 . 10 1 1 A 9 9 GLY N N 9 111.067 109.864 1.203 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.443 8.756 -0.313 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.274 45.598 -0.324 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.943 4.225 -0.282 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.943 4.227 -0.284 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.030 172.284 1.746 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.578 122.292 -1.714 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.208 8.431 -0.223 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.472 54.591 1.881 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.219 4.943 -0.724 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.440 34.319 -3.879 1
1 31 . 10 1 1 A 10 10 GLU C C 10 176.263 174.927 1.336 1
1 32 . 10 1 1 A 11 11 LYS N N 11 123.011 120.623 2.388 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.294 8.438 -0.144 1
1 34 . 10 1 1 A 11 11 LYS CA C 11 53.808 53.194 0.614 1
1 35 . 10 1 1 A 11 11 LYS HA H 11 4.507 4.802 -0.295 1
1 36 . 10 1 1 A 11 11 LYS CB C 11 32.578 35.185 -2.607 1
1 48 . 10 1 1 A 11 11 LYS C C 11 174.019 176.224 -2.205 1
1 49 . 10 1 1 A 12 12 PRO CA C 12 62.899 64.091 -1.192 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.290 4.443 -0.153 1
1 51 . 10 1 1 A 12 12 PRO CB C 12 32.252 31.724 0.528 1
1 60 . 10 1 1 A 12 12 PRO C C 12 176.475 175.895 0.580 1
1 61 . 10 1 1 A 13 13 TYR N N 13 119.889 118.838 1.051 1
1 62 . 10 1 1 A 13 13 TYR H H 13 8.093 7.662 0.431 1
1 63 . 10 1 1 A 13 13 TYR CA C 13 57.162 56.549 0.613 1
1 64 . 10 1 1 A 13 13 TYR HA H 13 4.587 5.319 -0.732 1
1 65 . 10 1 1 A 13 13 TYR CB C 13 38.013 40.348 -2.335 1
1 76 . 10 1 1 A 13 13 TYR C C 13 174.036 174.118 -0.082 1
1 77 . 10 1 1 A 14 14 LYS N N 14 124.683 124.743 -0.060 1
1 78 . 10 1 1 A 14 14 LYS H H 14 8.350 8.974 -0.624 1
1 79 . 10 1 1 A 14 14 LYS CA C 14 54.699 54.654 0.045 1
1 80 . 10 1 1 A 14 14 LYS HA H 14 5.082 5.150 -0.068 1
1 81 . 10 1 1 A 14 14 LYS CB C 14 36.077 36.397 -0.320 1
1 93 . 10 1 1 A 14 14 LYS C C 14 175.154 175.303 -0.149 1
1 94 . 10 1 1 A 15 15 CYS N N 15 127.993 124.758 3.235 1
1 95 . 10 1 1 A 15 15 CYS H H 15 9.322 9.384 -0.062 1
1 96 . 10 1 1 A 15 15 CYS CA C 15 59.441 60.064 -0.623 1
1 97 . 10 1 1 A 15 15 CYS HA H 15 4.526 4.572 -0.046 1
1 98 . 10 1 1 A 15 15 CYS CB C 15 29.639 28.952 0.687 1
1 101 . 10 1 1 A 15 15 CYS C C 15 176.800 176.044 0.756 1
1 102 . 10 1 1 A 16 16 ASN CA C 16 55.581 53.874 1.707 1
1 103 . 10 1 1 A 16 16 ASN HA H 16 4.498 4.878 -0.380 1
1 104 . 10 1 1 A 16 16 ASN CB C 16 38.278 38.810 -0.532 1
1 110 . 10 1 1 A 16 16 ASN C C 16 175.404 175.815 -0.411 1
1 111 . 10 1 1 A 17 17 GLU N N 17 120.838 119.139 1.699 1
1 112 . 10 1 1 A 17 17 GLU H H 17 8.709 8.413 0.296 1
1 113 . 10 1 1 A 17 17 GLU CA C 17 58.732 57.963 0.769 1
1 114 . 10 1 1 A 17 17 GLU HA H 17 4.180 4.503 -0.323 1
1 115 . 10 1 1 A 17 17 GLU CB C 17 29.321 31.578 -2.257 1
1 121 . 10 1 1 A 17 17 GLU C C 17 177.142 177.917 -0.775 1
1 122 . 10 1 1 A 18 18 CYS N N 18 114.657 116.208 -1.551 1
1 123 . 10 1 1 A 18 18 CYS H H 18 7.916 8.199 -0.283 1
1 124 . 10 1 1 A 18 18 CYS CA C 18 58.276 59.761 -1.485 1
1 125 . 10 1 1 A 18 18 CYS HA H 18 5.140 4.626 0.514 1
1 126 . 10 1 1 A 18 18 CYS CB C 18 32.360 29.770 2.590 1
1 129 . 10 1 1 A 18 18 CYS C C 18 176.225 175.410 0.815 1
1 130 . 10 1 1 A 19 19 GLY N N 19 113.624 109.424 4.200 1
1 131 . 10 1 1 A 19 19 GLY H H 19 8.162 8.243 -0.081 1
1 132 . 10 1 1 A 19 19 GLY CA C 19 46.220 45.778 0.442 1
1 133 . 10 1 1 A 19 19 GLY HA2 H 19 3.703 4.083 -0.380 1
1 134 . 10 1 1 A 19 19 GLY HA3 H 19 4.211 4.098 0.113 1
1 135 . 10 1 1 A 19 19 GLY C C 19 173.525 173.781 -0.256 1
1 136 . 10 1 1 A 20 20 LYS N N 20 122.667 120.106 2.561 1
1 137 . 10 1 1 A 20 20 LYS H H 20 7.889 7.725 0.164 1
1 138 . 10 1 1 A 20 20 LYS CA C 20 58.257 55.109 3.148 1
1 139 . 10 1 1 A 20 20 LYS HA H 20 3.946 4.919 -0.973 1
1 140 . 10 1 1 A 20 20 LYS CB C 20 33.797 35.764 -1.967 1
1 152 . 10 1 1 A 20 20 LYS C C 20 174.228 175.175 -0.947 1
1 153 . 10 1 1 A 21 21 VAL N N 21 117.585 122.586 -5.001 1
1 154 . 10 1 1 A 21 21 VAL H H 21 7.598 8.761 -1.163 1
1 155 . 10 1 1 A 21 21 VAL CA C 21 60.474 60.495 -0.021 1
1 156 . 10 1 1 A 21 21 VAL HA H 21 4.740 5.392 -0.652 1
1 157 . 10 1 1 A 21 21 VAL CB C 21 33.927 33.553 0.374 1
1 167 . 10 1 1 A 21 21 VAL C C 21 175.205 174.962 0.243 1
1 168 . 10 1 1 A 22 22 PHE N N 22 121.649 119.789 1.860 1
1 169 . 10 1 1 A 22 22 PHE H H 22 8.733 8.489 0.244 1
1 170 . 10 1 1 A 22 22 PHE CA C 22 56.779 56.698 0.081 1
1 171 . 10 1 1 A 22 22 PHE HA H 22 4.897 4.939 -0.042 1
1 172 . 10 1 1 A 22 22 PHE CB C 22 43.417 43.733 -0.316 1
1 185 . 10 1 1 A 22 22 PHE C C 22 175.652 175.637 0.015 1
1 186 . 10 1 1 A 23 23 THR N N 23 111.274 116.100 -4.826 1
1 187 . 10 1 1 A 23 23 THR H H 23 9.494 8.648 0.846 1
1 188 . 10 1 1 A 23 23 THR CA C 23 63.213 64.353 -1.140 1
1 189 . 10 1 1 A 23 23 THR HA H 23 4.528 4.165 0.363 1
1 190 . 10 1 1 A 23 23 THR CB C 23 69.708 69.380 0.328 1
1 196 . 10 1 1 A 23 23 THR C C 23 174.881 173.438 1.443 1
1 197 . 10 1 1 A 24 24 GLN N N 24 115.450 119.551 -4.101 1
1 198 . 10 1 1 A 24 24 GLN H H 24 7.058 7.789 -0.731 1
1 199 . 10 1 1 A 24 24 GLN CA C 24 53.963 53.712 0.251 1
1 200 . 10 1 1 A 24 24 GLN HA H 24 4.452 4.557 -0.105 1
1 201 . 10 1 1 A 24 24 GLN CB C 24 31.851 31.365 0.486 1
1 210 . 10 1 1 A 24 24 GLN C C 24 175.682 176.134 -0.452 1
1 211 . 10 1 1 A 25 25 ASN CA C 25 56.596 55.870 0.726 1
1 212 . 10 1 1 A 25 25 ASN HA H 25 3.560 4.007 -0.447 1
1 213 . 10 1 1 A 25 25 ASN CB C 25 38.675 37.029 1.646 1
1 219 . 10 1 1 A 26 26 SER CA C 26 61.163 60.702 0.461 1
1 220 . 10 1 1 A 26 26 SER HA H 26 3.881 4.125 -0.244 1
1 221 . 10 1 1 A 26 26 SER CB C 26 61.444 63.154 -1.710 1
1 224 . 10 1 1 A 26 26 SER C C 26 177.103 176.965 0.138 1
1 225 . 10 1 1 A 27 27 HIS N N 27 120.980 118.550 2.430 1
1 226 . 10 1 1 A 27 27 HIS H H 27 6.699 7.647 -0.948 1
1 227 . 10 1 1 A 27 27 HIS CA C 27 56.939 59.458 -2.519 1
1 228 . 10 1 1 A 27 27 HIS HA H 27 4.344 4.301 0.043 1
1 229 . 10 1 1 A 27 27 HIS CB C 27 31.831 30.820 1.011 1
1 236 . 10 1 1 A 27 27 HIS C C 27 177.849 177.652 0.197 1
1 237 . 10 1 1 A 28 28 LEU N N 28 122.679 120.453 2.226 1
1 238 . 10 1 1 A 28 28 LEU H H 28 6.876 7.615 -0.739 1
1 239 . 10 1 1 A 28 28 LEU CA C 28 57.700 57.231 0.469 1
1 240 . 10 1 1 A 28 28 LEU HA H 28 3.175 2.160 1.015 1
1 241 . 10 1 1 A 28 28 LEU CB C 28 40.513 41.232 -0.719 1
1 254 . 10 1 1 A 28 28 LEU C C 28 177.396 177.797 -0.401 1
1 255 . 10 1 1 A 29 29 VAL N N 29 119.083 118.218 0.865 1
1 256 . 10 1 1 A 29 29 VAL H H 29 8.251 8.313 -0.062 1
1 257 . 10 1 1 A 29 29 VAL CA C 29 66.791 65.176 1.615 1
1 258 . 10 1 1 A 29 29 VAL HA H 29 3.372 3.678 -0.306 1
1 259 . 10 1 1 A 29 29 VAL CB C 29 31.749 31.245 0.504 1
1 269 . 10 1 1 A 29 29 VAL C C 29 178.979 177.883 1.096 1
1 270 . 10 1 1 A 30 30 ARG N N 30 118.008 121.863 -3.855 1
1 271 . 10 1 1 A 30 30 ARG H H 30 7.431 7.905 -0.474 1
1 272 . 10 1 1 A 30 30 ARG CA C 30 58.827 59.535 -0.708 1
1 273 . 10 1 1 A 30 30 ARG HA H 30 3.988 3.872 0.116 1
1 274 . 10 1 1 A 30 30 ARG CB C 30 30.154 29.854 0.300 1
1 283 . 10 1 1 A 30 30 ARG C C 30 178.629 178.060 0.569 1
1 284 . 10 1 1 A 31 31 HIS N N 31 119.261 119.480 -0.219 1
1 285 . 10 1 1 A 31 31 HIS H H 31 7.645 7.623 0.022 1
1 286 . 10 1 1 A 31 31 HIS CA C 31 58.859 59.858 -0.999 1
1 287 . 10 1 1 A 31 31 HIS HA H 31 4.182 4.103 0.079 1
1 288 . 10 1 1 A 31 31 HIS CB C 31 28.757 29.867 -1.110 1
1 295 . 10 1 1 A 31 31 HIS C C 31 175.828 176.541 -0.713 1
1 296 . 10 1 1 A 32 32 ARG N N 32 115.529 117.160 -1.631 1
1 297 . 10 1 1 A 32 32 ARG H H 32 8.072 8.097 -0.025 1
1 298 . 10 1 1 A 32 32 ARG CA C 32 59.996 59.139 0.857 1
1 299 . 10 1 1 A 32 32 ARG HA H 32 3.724 4.014 -0.290 1
1 300 . 10 1 1 A 32 32 ARG CB C 32 29.913 29.942 -0.029 1
1 309 . 10 1 1 A 32 32 ARG C C 32 178.047 179.558 -1.511 1
1 310 . 10 1 1 A 33 33 GLY N N 33 105.489 108.191 -2.702 1
1 311 . 10 1 1 A 33 33 GLY H H 33 7.514 8.337 -0.823 1
1 312 . 10 1 1 A 33 33 GLY CA C 33 46.567 47.347 -0.780 1
1 313 . 10 1 1 A 33 33 GLY HA2 H 33 3.988 3.659 0.329 1
1 314 . 10 1 1 A 33 33 GLY HA3 H 33 3.867 3.678 0.189 1
1 315 . 10 1 1 A 33 33 GLY C C 33 175.858 175.925 -0.067 1
1 316 . 10 1 1 A 34 34 ILE N N 34 118.370 120.342 -1.972 1
1 317 . 10 1 1 A 34 34 ILE H H 34 7.808 8.169 -0.361 1
1 318 . 10 1 1 A 34 34 ILE CA C 34 62.704 64.471 -1.767 1
1 319 . 10 1 1 A 34 34 ILE HA H 34 4.015 3.763 0.252 1
1 320 . 10 1 1 A 34 34 ILE CB C 34 37.645 37.388 0.257 1
1 333 . 10 1 1 A 34 34 ILE C C 34 177.413 177.550 -0.137 1
1 334 . 10 1 1 A 35 35 HIS N N 35 117.927 120.252 -2.325 1
1 335 . 10 1 1 A 35 35 HIS H H 35 7.318 7.239 0.079 1
1 336 . 10 1 1 A 35 35 HIS CA C 35 55.214 59.323 -4.109 1
1 337 . 10 1 1 A 35 35 HIS HA H 35 4.843 4.329 0.514 1
1 338 . 10 1 1 A 35 35 HIS CB C 35 28.625 29.637 -1.012 1
1 345 . 10 1 1 A 35 35 HIS C C 35 175.767 176.640 -0.873 1
1 346 . 10 1 1 A 36 36 THR N N 36 111.953 110.486 1.467 1
1 347 . 10 1 1 A 36 36 THR H H 36 7.787 7.505 0.282 1
1 348 . 10 1 1 A 36 36 THR CA C 36 62.359 61.684 0.675 1
1 349 . 10 1 1 A 36 36 THR HA H 36 4.329 4.249 0.080 1
1 350 . 10 1 1 A 36 36 THR CB C 36 69.674 67.924 1.750 1
1 356 . 10 1 1 A 36 36 THR C C 36 175.402 175.033 0.369 1
1 357 . 10 1 1 A 37 37 GLY N N 37 110.854 112.683 -1.829 1
1 358 . 10 1 1 A 37 37 GLY H H 37 8.240 8.031 0.209 1
1 359 . 10 1 1 A 37 37 GLY CA C 37 45.374 45.469 -0.095 1
1 360 . 10 1 1 A 37 37 GLY HA2 H 37 3.969 4.020 -0.051 1
1 361 . 10 1 1 A 37 37 GLY HA3 H 37 3.969 4.027 -0.058 1
1 362 . 10 1 1 A 37 37 GLY C C 37 174.095 174.183 -0.088 1
1 363 . 10 1 1 A 38 38 GLU N N 38 120.594 120.418 0.176 1
1 364 . 10 1 1 A 38 38 GLU H H 38 8.078 7.669 0.409 1
1 365 . 10 1 1 A 38 38 GLU CA C 38 56.370 54.328 2.042 1
1 366 . 10 1 1 A 38 38 GLU HA H 38 4.216 4.911 -0.695 1
1 367 . 10 1 1 A 38 38 GLU CB C 38 30.465 33.627 -3.162 1
1 373 . 10 1 1 A 38 38 GLU C C 38 176.250 175.599 0.651 1
1 374 . 10 1 1 A 39 39 LYS N N 39 123.816 121.736 2.080 1
1 375 . 10 1 1 A 39 39 LYS H H 39 8.397 8.450 -0.053 1
1 376 . 10 1 1 A 39 39 LYS CA C 39 54.085 54.321 -0.236 1
1 377 . 10 1 1 A 39 39 LYS HA H 39 4.574 4.582 -0.008 1
1 378 . 10 1 1 A 39 39 LYS CB C 39 32.412 31.946 0.466 1
1 385 . 10 1 1 A 39 39 LYS C C 39 174.477 174.974 -0.497 1
1 386 . 10 1 1 A 40 40 PRO CA C 40 63.185 62.387 0.798 1
1 387 . 10 1 1 A 40 40 PRO HA H 40 4.439 4.725 -0.286 1
1 388 . 10 1 1 A 40 40 PRO CB C 40 32.140 30.080 2.060 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.463 45.258 0.205 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.028 4.162 -0.134 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.028 4.163 -0.135 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.552 172.175 2.377 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.866 114.900 -2.034 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.147 8.725 -0.578 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.817 59.721 2.096 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.339 5.116 -0.777 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.759 72.456 -2.697 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.264 173.234 2.030 1
1 16 . 11 1 1 A 9 9 GLY N N 9 111.067 109.289 1.778 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.443 8.600 -0.157 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.274 45.416 -0.142 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.943 4.143 -0.200 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.943 4.146 -0.203 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.030 174.149 -0.119 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.578 123.813 -3.235 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.208 8.633 -0.425 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.472 56.690 -0.218 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.219 4.224 -0.005 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.440 29.881 0.559 1
1 31 . 11 1 1 A 10 10 GLU C C 10 176.263 176.468 -0.205 1
1 32 . 11 1 1 A 11 11 LYS N N 11 123.011 123.650 -0.639 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.294 8.440 -0.146 1
1 34 . 11 1 1 A 11 11 LYS CA C 11 53.808 53.174 0.634 1
1 35 . 11 1 1 A 11 11 LYS HA H 11 4.507 4.682 -0.175 1
1 36 . 11 1 1 A 11 11 LYS CB C 11 32.578 33.286 -0.708 1
1 48 . 11 1 1 A 11 11 LYS C C 11 174.019 176.176 -2.157 1
1 49 . 11 1 1 A 12 12 PRO CA C 12 62.899 63.771 -0.872 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.290 4.352 -0.062 1
1 51 . 11 1 1 A 12 12 PRO CB C 12 32.252 31.190 1.062 1
1 60 . 11 1 1 A 12 12 PRO C C 12 176.475 175.625 0.850 1
1 61 . 11 1 1 A 13 13 TYR N N 13 119.889 119.347 0.542 1
1 62 . 11 1 1 A 13 13 TYR H H 13 8.093 7.324 0.769 1
1 63 . 11 1 1 A 13 13 TYR CA C 13 57.162 56.763 0.399 1
1 64 . 11 1 1 A 13 13 TYR HA H 13 4.587 5.356 -0.769 1
1 65 . 11 1 1 A 13 13 TYR CB C 13 38.013 40.311 -2.298 1
1 76 . 11 1 1 A 13 13 TYR C C 13 174.036 174.148 -0.112 1
1 77 . 11 1 1 A 14 14 LYS N N 14 124.683 124.786 -0.103 1
1 78 . 11 1 1 A 14 14 LYS H H 14 8.350 9.051 -0.701 1
1 79 . 11 1 1 A 14 14 LYS CA C 14 54.699 54.429 0.270 1
1 80 . 11 1 1 A 14 14 LYS HA H 14 5.082 5.502 -0.420 1
1 81 . 11 1 1 A 14 14 LYS CB C 14 36.077 36.179 -0.102 1
1 93 . 11 1 1 A 14 14 LYS C C 14 175.154 174.719 0.435 1
1 94 . 11 1 1 A 15 15 CYS N N 15 127.993 124.047 3.946 1
1 95 . 11 1 1 A 15 15 CYS H H 15 9.322 9.002 0.320 1
1 96 . 11 1 1 A 15 15 CYS CA C 15 59.441 58.853 0.588 1
1 97 . 11 1 1 A 15 15 CYS HA H 15 4.526 4.655 -0.129 1
1 98 . 11 1 1 A 15 15 CYS CB C 15 29.639 28.448 1.191 1
1 101 . 11 1 1 A 15 15 CYS C C 15 176.800 175.899 0.901 1
1 102 . 11 1 1 A 16 16 ASN CA C 16 55.581 52.291 3.290 1
1 103 . 11 1 1 A 16 16 ASN HA H 16 4.498 4.950 -0.452 1
1 104 . 11 1 1 A 16 16 ASN CB C 16 38.278 38.248 0.030 1
1 110 . 11 1 1 A 16 16 ASN C C 16 175.404 176.130 -0.726 1
1 111 . 11 1 1 A 17 17 GLU N N 17 120.838 120.347 0.491 1
1 112 . 11 1 1 A 17 17 GLU H H 17 8.709 8.006 0.703 1
1 113 . 11 1 1 A 17 17 GLU CA C 17 58.732 56.949 1.783 1
1 114 . 11 1 1 A 17 17 GLU HA H 17 4.180 4.472 -0.292 1
1 115 . 11 1 1 A 17 17 GLU CB C 17 29.321 32.008 -2.687 1
1 121 . 11 1 1 A 17 17 GLU C C 17 177.142 177.886 -0.744 1
1 122 . 11 1 1 A 18 18 CYS N N 18 114.657 114.820 -0.163 1
1 123 . 11 1 1 A 18 18 CYS H H 18 7.916 8.085 -0.169 1
1 124 . 11 1 1 A 18 18 CYS CA C 18 58.276 59.760 -1.484 1
1 125 . 11 1 1 A 18 18 CYS HA H 18 5.140 4.777 0.363 1
1 126 . 11 1 1 A 18 18 CYS CB C 18 32.360 30.025 2.335 1
1 129 . 11 1 1 A 18 18 CYS C C 18 176.225 175.558 0.667 1
1 130 . 11 1 1 A 19 19 GLY N N 19 113.624 109.602 4.022 1
1 131 . 11 1 1 A 19 19 GLY H H 19 8.162 8.363 -0.201 1
1 132 . 11 1 1 A 19 19 GLY CA C 19 46.220 46.242 -0.022 1
1 133 . 11 1 1 A 19 19 GLY HA2 H 19 3.703 4.043 -0.340 1
1 134 . 11 1 1 A 19 19 GLY HA3 H 19 4.211 4.049 0.162 1
1 135 . 11 1 1 A 19 19 GLY C C 19 173.525 174.032 -0.507 1
1 136 . 11 1 1 A 20 20 LYS N N 20 122.667 119.186 3.481 1
1 137 . 11 1 1 A 20 20 LYS H H 20 7.889 7.705 0.184 1
1 138 . 11 1 1 A 20 20 LYS CA C 20 58.257 54.168 4.089 1
1 139 . 11 1 1 A 20 20 LYS HA H 20 3.946 4.803 -0.857 1
1 140 . 11 1 1 A 20 20 LYS CB C 20 33.797 36.568 -2.771 1
1 152 . 11 1 1 A 20 20 LYS C C 20 174.228 174.676 -0.448 1
1 153 . 11 1 1 A 21 21 VAL N N 21 117.585 117.880 -0.295 1
1 154 . 11 1 1 A 21 21 VAL H H 21 7.598 8.581 -0.983 1
1 155 . 11 1 1 A 21 21 VAL CA C 21 60.474 59.764 0.710 1
1 156 . 11 1 1 A 21 21 VAL HA H 21 4.740 5.447 -0.707 1
1 157 . 11 1 1 A 21 21 VAL CB C 21 33.927 34.241 -0.314 1
1 167 . 11 1 1 A 21 21 VAL C C 21 175.205 174.205 1.000 1
1 168 . 11 1 1 A 22 22 PHE N N 22 121.649 119.928 1.721 1
1 169 . 11 1 1 A 22 22 PHE H H 22 8.733 8.366 0.367 1
1 170 . 11 1 1 A 22 22 PHE CA C 22 56.779 56.831 -0.052 1
1 171 . 11 1 1 A 22 22 PHE HA H 22 4.897 4.864 0.033 1
1 172 . 11 1 1 A 22 22 PHE CB C 22 43.417 43.091 0.326 1
1 185 . 11 1 1 A 22 22 PHE C C 22 175.652 175.757 -0.105 1
1 186 . 11 1 1 A 23 23 THR N N 23 111.274 117.887 -6.613 1
1 187 . 11 1 1 A 23 23 THR H H 23 9.494 8.497 0.997 1
1 188 . 11 1 1 A 23 23 THR CA C 23 63.213 64.154 -0.941 1
1 189 . 11 1 1 A 23 23 THR HA H 23 4.528 4.270 0.258 1
1 190 . 11 1 1 A 23 23 THR CB C 23 69.708 69.475 0.233 1
1 196 . 11 1 1 A 23 23 THR C C 23 174.881 173.801 1.080 1
1 197 . 11 1 1 A 24 24 GLN N N 24 115.450 120.458 -5.008 1
1 198 . 11 1 1 A 24 24 GLN H H 24 7.058 7.816 -0.758 1
1 199 . 11 1 1 A 24 24 GLN CA C 24 53.963 54.371 -0.408 1
1 200 . 11 1 1 A 24 24 GLN HA H 24 4.452 4.618 -0.166 1
1 201 . 11 1 1 A 24 24 GLN CB C 24 31.851 30.278 1.573 1
1 210 . 11 1 1 A 24 24 GLN C C 24 175.682 175.896 -0.214 1
1 211 . 11 1 1 A 25 25 ASN CA C 25 56.596 57.148 -0.552 1
1 212 . 11 1 1 A 25 25 ASN HA H 25 3.560 3.856 -0.296 1
1 213 . 11 1 1 A 25 25 ASN CB C 25 38.675 38.609 0.066 1
1 219 . 11 1 1 A 26 26 SER CA C 26 61.163 62.408 -1.245 1
1 220 . 11 1 1 A 26 26 SER HA H 26 3.881 4.073 -0.192 1
1 221 . 11 1 1 A 26 26 SER CB C 26 61.444 62.766 -1.322 1
1 224 . 11 1 1 A 26 26 SER C C 26 177.103 176.333 0.770 1
1 225 . 11 1 1 A 27 27 HIS N N 27 120.980 119.559 1.421 1
1 226 . 11 1 1 A 27 27 HIS H H 27 6.699 8.174 -1.475 1
1 227 . 11 1 1 A 27 27 HIS CA C 27 56.939 58.767 -1.828 1
1 228 . 11 1 1 A 27 27 HIS HA H 27 4.344 4.234 0.110 1
1 229 . 11 1 1 A 27 27 HIS CB C 27 31.831 30.051 1.780 1
1 236 . 11 1 1 A 27 27 HIS C C 27 177.849 177.027 0.822 1
1 237 . 11 1 1 A 28 28 LEU N N 28 122.679 120.507 2.172 1
1 238 . 11 1 1 A 28 28 LEU H H 28 6.876 7.521 -0.645 1
1 239 . 11 1 1 A 28 28 LEU CA C 28 57.700 57.895 -0.195 1
1 240 . 11 1 1 A 28 28 LEU HA H 28 3.175 2.791 0.384 1
1 241 . 11 1 1 A 28 28 LEU CB C 28 40.513 41.806 -1.293 1
1 254 . 11 1 1 A 28 28 LEU C C 28 177.396 178.308 -0.912 1
1 255 . 11 1 1 A 29 29 VAL N N 29 119.083 119.298 -0.215 1
1 256 . 11 1 1 A 29 29 VAL H H 29 8.251 7.904 0.347 1
1 257 . 11 1 1 A 29 29 VAL CA C 29 66.791 66.485 0.306 1
1 258 . 11 1 1 A 29 29 VAL HA H 29 3.372 3.553 -0.181 1
1 259 . 11 1 1 A 29 29 VAL CB C 29 31.749 31.485 0.264 1
1 269 . 11 1 1 A 29 29 VAL C C 29 178.979 178.477 0.502 1
1 270 . 11 1 1 A 30 30 ARG N N 30 118.008 119.847 -1.839 1
1 271 . 11 1 1 A 30 30 ARG H H 30 7.431 7.759 -0.328 1
1 272 . 11 1 1 A 30 30 ARG CA C 30 58.827 58.905 -0.078 1
1 273 . 11 1 1 A 30 30 ARG HA H 30 3.988 3.968 0.020 1
1 274 . 11 1 1 A 30 30 ARG CB C 30 30.154 29.754 0.400 1
1 283 . 11 1 1 A 30 30 ARG C C 30 178.629 178.258 0.371 1
1 284 . 11 1 1 A 31 31 HIS N N 31 119.261 119.217 0.044 1
1 285 . 11 1 1 A 31 31 HIS H H 31 7.645 8.247 -0.602 1
1 286 . 11 1 1 A 31 31 HIS CA C 31 58.859 59.917 -1.058 1
1 287 . 11 1 1 A 31 31 HIS HA H 31 4.182 4.113 0.069 1
1 288 . 11 1 1 A 31 31 HIS CB C 31 28.757 29.901 -1.144 1
1 295 . 11 1 1 A 31 31 HIS C C 31 175.828 176.892 -1.064 1
1 296 . 11 1 1 A 32 32 ARG N N 32 115.529 117.963 -2.434 1
1 297 . 11 1 1 A 32 32 ARG H H 32 8.072 8.026 0.046 1
1 298 . 11 1 1 A 32 32 ARG CA C 32 59.996 58.320 1.676 1
1 299 . 11 1 1 A 32 32 ARG HA H 32 3.724 3.991 -0.267 1
1 300 . 11 1 1 A 32 32 ARG CB C 32 29.913 29.837 0.076 1
1 309 . 11 1 1 A 32 32 ARG C C 32 178.047 178.922 -0.875 1
1 310 . 11 1 1 A 33 33 GLY N N 33 105.489 108.739 -3.250 1
1 311 . 11 1 1 A 33 33 GLY H H 33 7.514 8.416 -0.902 1
1 312 . 11 1 1 A 33 33 GLY CA C 33 46.567 47.201 -0.634 1
1 313 . 11 1 1 A 33 33 GLY HA2 H 33 3.988 3.724 0.264 1
1 314 . 11 1 1 A 33 33 GLY HA3 H 33 3.867 3.744 0.123 1
1 315 . 11 1 1 A 33 33 GLY C C 33 175.858 176.094 -0.236 1
1 316 . 11 1 1 A 34 34 ILE N N 34 118.370 120.298 -1.928 1
1 317 . 11 1 1 A 34 34 ILE H H 34 7.808 8.314 -0.506 1
1 318 . 11 1 1 A 34 34 ILE CA C 34 62.704 64.458 -1.754 1
1 319 . 11 1 1 A 34 34 ILE HA H 34 4.015 3.764 0.251 1
1 320 . 11 1 1 A 34 34 ILE CB C 34 37.645 37.403 0.242 1
1 333 . 11 1 1 A 34 34 ILE C C 34 177.413 177.637 -0.224 1
1 334 . 11 1 1 A 35 35 HIS N N 35 117.927 119.621 -1.694 1
1 335 . 11 1 1 A 35 35 HIS H H 35 7.318 8.204 -0.886 1
1 336 . 11 1 1 A 35 35 HIS CA C 35 55.214 59.324 -4.110 1
1 337 . 11 1 1 A 35 35 HIS HA H 35 4.843 4.364 0.479 1
1 338 . 11 1 1 A 35 35 HIS CB C 35 28.625 30.127 -1.502 1
1 345 . 11 1 1 A 35 35 HIS C C 35 175.767 175.761 0.006 1
1 346 . 11 1 1 A 36 36 THR N N 36 111.953 109.938 2.015 1
1 347 . 11 1 1 A 36 36 THR H H 36 7.787 7.127 0.660 1
1 348 . 11 1 1 A 36 36 THR CA C 36 62.359 62.693 -0.334 1
1 349 . 11 1 1 A 36 36 THR HA H 36 4.329 4.240 0.089 1
1 350 . 11 1 1 A 36 36 THR CB C 36 69.674 68.752 0.922 1
1 356 . 11 1 1 A 36 36 THR C C 36 175.402 174.488 0.914 1
1 357 . 11 1 1 A 37 37 GLY N N 37 110.854 110.254 0.600 1
1 358 . 11 1 1 A 37 37 GLY H H 37 8.240 8.371 -0.131 1
1 359 . 11 1 1 A 37 37 GLY CA C 37 45.374 46.009 -0.635 1
1 360 . 11 1 1 A 37 37 GLY HA2 H 37 3.969 4.210 -0.241 1
1 361 . 11 1 1 A 37 37 GLY HA3 H 37 3.969 4.215 -0.246 1
1 362 . 11 1 1 A 37 37 GLY C C 37 174.095 172.034 2.061 1
1 363 . 11 1 1 A 38 38 GLU N N 38 120.594 122.797 -2.203 1
1 364 . 11 1 1 A 38 38 GLU H H 38 8.078 8.392 -0.314 1
1 365 . 11 1 1 A 38 38 GLU CA C 38 56.370 55.192 1.178 1
1 366 . 11 1 1 A 38 38 GLU HA H 38 4.216 5.008 -0.792 1
1 367 . 11 1 1 A 38 38 GLU CB C 38 30.465 32.636 -2.171 1
1 373 . 11 1 1 A 38 38 GLU C C 38 176.250 174.998 1.252 1
1 374 . 11 1 1 A 39 39 LYS N N 39 123.816 121.642 2.174 1
1 375 . 11 1 1 A 39 39 LYS H H 39 8.397 8.703 -0.306 1
1 376 . 11 1 1 A 39 39 LYS CA C 39 54.085 55.060 -0.975 1
1 377 . 11 1 1 A 39 39 LYS HA H 39 4.574 4.871 -0.297 1
1 378 . 11 1 1 A 39 39 LYS CB C 39 32.412 35.264 -2.852 1
1 385 . 11 1 1 A 39 39 LYS C C 39 174.477 173.365 1.112 1
1 386 . 11 1 1 A 40 40 PRO CA C 40 63.185 62.842 0.343 1
1 387 . 11 1 1 A 40 40 PRO HA H 40 4.439 4.690 -0.251 1
1 388 . 11 1 1 A 40 40 PRO CB C 40 32.140 32.275 -0.135 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.463 46.980 -1.517 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.028 3.893 0.135 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.028 3.893 0.135 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.552 174.195 0.357 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.866 115.759 -2.893 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.147 8.210 -0.063 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.817 60.633 1.184 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.339 4.852 -0.513 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.759 72.607 -2.848 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.264 173.138 2.126 1
1 16 . 12 1 1 A 9 9 GLY N N 9 111.067 112.882 -1.815 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.443 8.940 -0.497 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.274 45.259 0.015 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.943 4.019 -0.076 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.943 4.029 -0.086 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.030 172.893 1.137 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.578 125.121 -4.543 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.208 8.957 -0.749 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.472 55.824 0.648 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.219 4.642 -0.423 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.440 30.795 -0.355 1
1 31 . 12 1 1 A 10 10 GLU C C 10 176.263 175.517 0.746 1
1 32 . 12 1 1 A 11 11 LYS N N 11 123.011 125.064 -2.053 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.294 8.514 -0.220 1
1 34 . 12 1 1 A 11 11 LYS CA C 11 53.808 53.313 0.495 1
1 35 . 12 1 1 A 11 11 LYS HA H 11 4.507 4.813 -0.306 1
1 36 . 12 1 1 A 11 11 LYS CB C 11 32.578 33.465 -0.887 1
1 48 . 12 1 1 A 11 11 LYS C C 11 174.019 176.388 -2.369 1
1 49 . 12 1 1 A 12 12 PRO CA C 12 62.899 64.255 -1.356 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.290 4.540 -0.250 1
1 51 . 12 1 1 A 12 12 PRO CB C 12 32.252 31.822 0.430 1
1 60 . 12 1 1 A 12 12 PRO C C 12 176.475 176.086 0.389 1
1 61 . 12 1 1 A 13 13 TYR N N 13 119.889 118.818 1.071 1
1 62 . 12 1 1 A 13 13 TYR H H 13 8.093 7.824 0.269 1
1 63 . 12 1 1 A 13 13 TYR CA C 13 57.162 56.628 0.534 1
1 64 . 12 1 1 A 13 13 TYR HA H 13 4.587 5.054 -0.467 1
1 65 . 12 1 1 A 13 13 TYR CB C 13 38.013 39.275 -1.262 1
1 76 . 12 1 1 A 13 13 TYR C C 13 174.036 174.512 -0.476 1
1 77 . 12 1 1 A 14 14 LYS N N 14 124.683 125.408 -0.725 1
1 78 . 12 1 1 A 14 14 LYS H H 14 8.350 9.041 -0.691 1
1 79 . 12 1 1 A 14 14 LYS CA C 14 54.699 54.287 0.412 1
1 80 . 12 1 1 A 14 14 LYS HA H 14 5.082 5.511 -0.429 1
1 81 . 12 1 1 A 14 14 LYS CB C 14 36.077 36.298 -0.221 1
1 93 . 12 1 1 A 14 14 LYS C C 14 175.154 174.335 0.819 1
1 94 . 12 1 1 A 15 15 CYS N N 15 127.993 123.900 4.093 1
1 95 . 12 1 1 A 15 15 CYS H H 15 9.322 8.373 0.949 1
1 96 . 12 1 1 A 15 15 CYS CA C 15 59.441 57.817 1.624 1
1 97 . 12 1 1 A 15 15 CYS HA H 15 4.526 4.830 -0.304 1
1 98 . 12 1 1 A 15 15 CYS CB C 15 29.639 29.340 0.299 1
1 101 . 12 1 1 A 15 15 CYS C C 15 176.800 175.865 0.935 1
1 102 . 12 1 1 A 16 16 ASN CA C 16 55.581 56.138 -0.557 1
1 103 . 12 1 1 A 16 16 ASN HA H 16 4.498 4.448 0.050 1
1 104 . 12 1 1 A 16 16 ASN CB C 16 38.278 37.956 0.322 1
1 110 . 12 1 1 A 16 16 ASN C C 16 175.404 177.433 -2.029 1
1 111 . 12 1 1 A 17 17 GLU N N 17 120.838 119.940 0.898 1
1 112 . 12 1 1 A 17 17 GLU H H 17 8.709 8.111 0.598 1
1 113 . 12 1 1 A 17 17 GLU CA C 17 58.732 58.877 -0.145 1
1 114 . 12 1 1 A 17 17 GLU HA H 17 4.180 3.928 0.252 1
1 115 . 12 1 1 A 17 17 GLU CB C 17 29.321 28.809 0.512 1
1 121 . 12 1 1 A 17 17 GLU C C 17 177.142 178.091 -0.949 1
1 122 . 12 1 1 A 18 18 CYS N N 18 114.657 114.608 0.049 1
1 123 . 12 1 1 A 18 18 CYS H H 18 7.916 7.869 0.047 1
1 124 . 12 1 1 A 18 18 CYS CA C 18 58.276 59.616 -1.340 1
1 125 . 12 1 1 A 18 18 CYS HA H 18 5.140 4.758 0.382 1
1 126 . 12 1 1 A 18 18 CYS CB C 18 32.360 29.923 2.437 1
1 129 . 12 1 1 A 18 18 CYS C C 18 176.225 175.561 0.664 1
1 130 . 12 1 1 A 19 19 GLY N N 19 113.624 109.754 3.870 1
1 131 . 12 1 1 A 19 19 GLY H H 19 8.162 8.065 0.097 1
1 132 . 12 1 1 A 19 19 GLY CA C 19 46.220 45.714 0.506 1
1 133 . 12 1 1 A 19 19 GLY HA2 H 19 3.703 4.065 -0.362 1
1 134 . 12 1 1 A 19 19 GLY HA3 H 19 4.211 4.066 0.145 1
1 135 . 12 1 1 A 19 19 GLY C C 19 173.525 174.159 -0.634 1
1 136 . 12 1 1 A 20 20 LYS N N 20 122.667 120.450 2.217 1
1 137 . 12 1 1 A 20 20 LYS H H 20 7.889 7.725 0.164 1
1 138 . 12 1 1 A 20 20 LYS CA C 20 58.257 54.640 3.617 1
1 139 . 12 1 1 A 20 20 LYS HA H 20 3.946 4.662 -0.716 1
1 140 . 12 1 1 A 20 20 LYS CB C 20 33.797 34.881 -1.084 1
1 152 . 12 1 1 A 20 20 LYS C C 20 174.228 175.579 -1.351 1
1 153 . 12 1 1 A 21 21 VAL N N 21 117.585 121.786 -4.201 1
1 154 . 12 1 1 A 21 21 VAL H H 21 7.598 8.617 -1.019 1
1 155 . 12 1 1 A 21 21 VAL CA C 21 60.474 60.178 0.296 1
1 156 . 12 1 1 A 21 21 VAL HA H 21 4.740 4.935 -0.195 1
1 157 . 12 1 1 A 21 21 VAL CB C 21 33.927 33.486 0.441 1
1 167 . 12 1 1 A 21 21 VAL C C 21 175.205 174.223 0.982 1
1 168 . 12 1 1 A 22 22 PHE N N 22 121.649 120.059 1.590 1
1 169 . 12 1 1 A 22 22 PHE H H 22 8.733 8.298 0.435 1
1 170 . 12 1 1 A 22 22 PHE CA C 22 56.779 56.429 0.350 1
1 171 . 12 1 1 A 22 22 PHE HA H 22 4.897 5.017 -0.120 1
1 172 . 12 1 1 A 22 22 PHE CB C 22 43.417 43.984 -0.567 1
1 185 . 12 1 1 A 22 22 PHE C C 22 175.652 175.576 0.076 1
1 186 . 12 1 1 A 23 23 THR N N 23 111.274 114.589 -3.315 1
1 187 . 12 1 1 A 23 23 THR H H 23 9.494 8.818 0.676 1
1 188 . 12 1 1 A 23 23 THR CA C 23 63.213 63.803 -0.590 1
1 189 . 12 1 1 A 23 23 THR HA H 23 4.528 4.366 0.162 1
1 190 . 12 1 1 A 23 23 THR CB C 23 69.708 69.056 0.652 1
1 196 . 12 1 1 A 23 23 THR C C 23 174.881 173.983 0.898 1
1 197 . 12 1 1 A 24 24 GLN N N 24 115.450 120.917 -5.467 1
1 198 . 12 1 1 A 24 24 GLN H H 24 7.058 7.964 -0.906 1
1 199 . 12 1 1 A 24 24 GLN CA C 24 53.963 54.492 -0.529 1
1 200 . 12 1 1 A 24 24 GLN HA H 24 4.452 4.419 0.033 1
1 201 . 12 1 1 A 24 24 GLN CB C 24 31.851 30.726 1.125 1
1 210 . 12 1 1 A 24 24 GLN C C 24 175.682 176.528 -0.846 1
1 211 . 12 1 1 A 25 25 ASN CA C 25 56.596 56.188 0.408 1
1 212 . 12 1 1 A 25 25 ASN HA H 25 3.560 4.585 -1.025 1
1 213 . 12 1 1 A 25 25 ASN CB C 25 38.675 37.527 1.148 1
1 219 . 12 1 1 A 26 26 SER CA C 26 61.163 61.742 -0.579 1
1 220 . 12 1 1 A 26 26 SER HA H 26 3.881 4.015 -0.134 1
1 221 . 12 1 1 A 26 26 SER CB C 26 61.444 62.992 -1.548 1
1 224 . 12 1 1 A 26 26 SER C C 26 177.103 177.409 -0.306 1
1 225 . 12 1 1 A 27 27 HIS N N 27 120.980 119.249 1.731 1
1 226 . 12 1 1 A 27 27 HIS H H 27 6.699 7.811 -1.112 1
1 227 . 12 1 1 A 27 27 HIS CA C 27 56.939 58.656 -1.717 1
1 228 . 12 1 1 A 27 27 HIS HA H 27 4.344 4.246 0.098 1
1 229 . 12 1 1 A 27 27 HIS CB C 27 31.831 29.820 2.011 1
1 236 . 12 1 1 A 27 27 HIS C C 27 177.849 177.339 0.510 1
1 237 . 12 1 1 A 28 28 LEU N N 28 122.679 120.704 1.975 1
1 238 . 12 1 1 A 28 28 LEU H H 28 6.876 7.537 -0.661 1
1 239 . 12 1 1 A 28 28 LEU CA C 28 57.700 57.585 0.115 1
1 240 . 12 1 1 A 28 28 LEU HA H 28 3.175 2.779 0.396 1
1 241 . 12 1 1 A 28 28 LEU CB C 28 40.513 41.779 -1.266 1
1 254 . 12 1 1 A 28 28 LEU C C 28 177.396 178.342 -0.946 1
1 255 . 12 1 1 A 29 29 VAL N N 29 119.083 119.343 -0.260 1
1 256 . 12 1 1 A 29 29 VAL H H 29 8.251 8.271 -0.020 1
1 257 . 12 1 1 A 29 29 VAL CA C 29 66.791 67.056 -0.265 1
1 258 . 12 1 1 A 29 29 VAL HA H 29 3.372 3.483 -0.111 1
1 259 . 12 1 1 A 29 29 VAL CB C 29 31.749 31.567 0.182 1
1 269 . 12 1 1 A 29 29 VAL C C 29 178.979 178.005 0.974 1
1 270 . 12 1 1 A 30 30 ARG N N 30 118.008 119.711 -1.703 1
1 271 . 12 1 1 A 30 30 ARG H H 30 7.431 8.225 -0.794 1
1 272 . 12 1 1 A 30 30 ARG CA C 30 58.827 59.952 -1.125 1
1 273 . 12 1 1 A 30 30 ARG HA H 30 3.988 3.933 0.055 1
1 274 . 12 1 1 A 30 30 ARG CB C 30 30.154 30.044 0.110 1
1 283 . 12 1 1 A 30 30 ARG C C 30 178.629 178.535 0.094 1
1 284 . 12 1 1 A 31 31 HIS N N 31 119.261 119.501 -0.240 1
1 285 . 12 1 1 A 31 31 HIS H H 31 7.645 7.719 -0.074 1
1 286 . 12 1 1 A 31 31 HIS CA C 31 58.859 59.849 -0.990 1
1 287 . 12 1 1 A 31 31 HIS HA H 31 4.182 4.119 0.063 1
1 288 . 12 1 1 A 31 31 HIS CB C 31 28.757 29.711 -0.954 1
1 295 . 12 1 1 A 31 31 HIS C C 31 175.828 176.510 -0.682 1
1 296 . 12 1 1 A 32 32 ARG N N 32 115.529 117.348 -1.819 1
1 297 . 12 1 1 A 32 32 ARG H H 32 8.072 8.288 -0.216 1
1 298 . 12 1 1 A 32 32 ARG CA C 32 59.996 59.096 0.900 1
1 299 . 12 1 1 A 32 32 ARG HA H 32 3.724 4.089 -0.365 1
1 300 . 12 1 1 A 32 32 ARG CB C 32 29.913 29.924 -0.011 1
1 309 . 12 1 1 A 32 32 ARG C C 32 178.047 179.922 -1.875 1
1 310 . 12 1 1 A 33 33 GLY N N 33 105.489 108.593 -3.104 1
1 311 . 12 1 1 A 33 33 GLY H H 33 7.514 8.829 -1.315 1
1 312 . 12 1 1 A 33 33 GLY CA C 33 46.567 47.377 -0.810 1
1 313 . 12 1 1 A 33 33 GLY HA2 H 33 3.988 3.716 0.272 1
1 314 . 12 1 1 A 33 33 GLY HA3 H 33 3.867 3.739 0.128 1
1 315 . 12 1 1 A 33 33 GLY C C 33 175.858 176.060 -0.202 1
1 316 . 12 1 1 A 34 34 ILE N N 34 118.370 119.775 -1.405 1
1 317 . 12 1 1 A 34 34 ILE H H 34 7.808 8.158 -0.350 1
1 318 . 12 1 1 A 34 34 ILE CA C 34 62.704 64.019 -1.315 1
1 319 . 12 1 1 A 34 34 ILE HA H 34 4.015 3.825 0.190 1
1 320 . 12 1 1 A 34 34 ILE CB C 34 37.645 37.394 0.251 1
1 333 . 12 1 1 A 34 34 ILE C C 34 177.413 176.705 0.708 1
1 334 . 12 1 1 A 35 35 HIS N N 35 117.927 119.817 -1.890 1
1 335 . 12 1 1 A 35 35 HIS H H 35 7.318 7.853 -0.535 1
1 336 . 12 1 1 A 35 35 HIS CA C 35 55.214 54.245 0.969 1
1 337 . 12 1 1 A 35 35 HIS HA H 35 4.843 4.758 0.085 1
1 338 . 12 1 1 A 35 35 HIS CB C 35 28.625 27.306 1.319 1
1 345 . 12 1 1 A 35 35 HIS C C 35 175.767 175.144 0.623 1
1 346 . 12 1 1 A 36 36 THR N N 36 111.953 111.725 0.228 1
1 347 . 12 1 1 A 36 36 THR H H 36 7.787 7.794 -0.007 1
1 348 . 12 1 1 A 36 36 THR CA C 36 62.359 62.334 0.025 1
1 349 . 12 1 1 A 36 36 THR HA H 36 4.329 4.536 -0.207 1
1 350 . 12 1 1 A 36 36 THR CB C 36 69.674 70.100 -0.426 1
1 356 . 12 1 1 A 36 36 THR C C 36 175.402 175.527 -0.125 1
1 357 . 12 1 1 A 37 37 GLY N N 37 110.854 110.414 0.440 1
1 358 . 12 1 1 A 37 37 GLY H H 37 8.240 7.838 0.402 1
1 359 . 12 1 1 A 37 37 GLY CA C 37 45.374 44.777 0.597 1
1 360 . 12 1 1 A 37 37 GLY HA2 H 37 3.969 4.071 -0.102 1
1 361 . 12 1 1 A 37 37 GLY HA3 H 37 3.969 4.078 -0.109 1
1 362 . 12 1 1 A 37 37 GLY C C 37 174.095 173.542 0.553 1
1 363 . 12 1 1 A 38 38 GLU N N 38 120.594 123.900 -3.306 1
1 364 . 12 1 1 A 38 38 GLU H H 38 8.078 8.186 -0.108 1
1 365 . 12 1 1 A 38 38 GLU CA C 38 56.370 57.234 -0.864 1
1 366 . 12 1 1 A 38 38 GLU HA H 38 4.216 4.251 -0.035 1
1 367 . 12 1 1 A 38 38 GLU CB C 38 30.465 29.974 0.491 1
1 373 . 12 1 1 A 38 38 GLU C C 38 176.250 175.975 0.275 1
1 374 . 12 1 1 A 39 39 LYS N N 39 123.816 125.296 -1.480 1
1 375 . 12 1 1 A 39 39 LYS H H 39 8.397 8.394 0.003 1
1 376 . 12 1 1 A 39 39 LYS CA C 39 54.085 54.844 -0.759 1
1 377 . 12 1 1 A 39 39 LYS HA H 39 4.574 4.728 -0.154 1
1 378 . 12 1 1 A 39 39 LYS CB C 39 32.412 32.490 -0.078 1
1 385 . 12 1 1 A 39 39 LYS C C 39 174.477 176.503 -2.026 1
1 386 . 12 1 1 A 40 40 PRO CA C 40 63.185 63.615 -0.430 1
1 387 . 12 1 1 A 40 40 PRO HA H 40 4.439 4.416 0.023 1
1 388 . 12 1 1 A 40 40 PRO CB C 40 32.140 32.041 0.099 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.463 44.546 0.917 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.028 4.320 -0.292 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.028 4.321 -0.293 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.552 172.343 2.209 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.866 118.596 -5.730 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.147 8.810 -0.663 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.817 60.772 1.045 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.339 4.612 -0.273 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.759 69.066 0.693 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.264 173.475 1.789 1
1 16 . 13 1 1 A 9 9 GLY N N 9 111.067 110.365 0.702 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.443 7.434 1.009 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.274 45.949 -0.675 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.943 4.034 -0.091 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.943 4.037 -0.094 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.030 171.723 2.307 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.578 122.174 -1.596 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.208 8.881 -0.673 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.472 55.337 1.135 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.219 4.805 -0.586 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.440 30.374 0.066 1
1 31 . 13 1 1 A 10 10 GLU C C 10 176.263 174.853 1.410 1
1 32 . 13 1 1 A 11 11 LYS N N 11 123.011 125.982 -2.971 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.294 8.277 0.017 1
1 34 . 13 1 1 A 11 11 LYS CA C 11 53.808 52.652 1.156 1
1 35 . 13 1 1 A 11 11 LYS HA H 11 4.507 4.796 -0.289 1
1 36 . 13 1 1 A 11 11 LYS CB C 11 32.578 36.365 -3.787 1
1 48 . 13 1 1 A 11 11 LYS C C 11 174.019 175.723 -1.704 1
1 49 . 13 1 1 A 12 12 PRO CA C 12 62.899 64.080 -1.181 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.290 4.426 -0.136 1
1 51 . 13 1 1 A 12 12 PRO CB C 12 32.252 31.535 0.717 1
1 60 . 13 1 1 A 12 12 PRO C C 12 176.475 175.891 0.584 1
1 61 . 13 1 1 A 13 13 TYR N N 13 119.889 118.750 1.139 1
1 62 . 13 1 1 A 13 13 TYR H H 13 8.093 7.643 0.450 1
1 63 . 13 1 1 A 13 13 TYR CA C 13 57.162 56.795 0.367 1
1 64 . 13 1 1 A 13 13 TYR HA H 13 4.587 5.228 -0.641 1
1 65 . 13 1 1 A 13 13 TYR CB C 13 38.013 40.271 -2.258 1
1 76 . 13 1 1 A 13 13 TYR C C 13 174.036 174.408 -0.372 1
1 77 . 13 1 1 A 14 14 LYS N N 14 124.683 124.344 0.339 1
1 78 . 13 1 1 A 14 14 LYS H H 14 8.350 8.957 -0.607 1
1 79 . 13 1 1 A 14 14 LYS CA C 14 54.699 55.041 -0.342 1
1 80 . 13 1 1 A 14 14 LYS HA H 14 5.082 5.147 -0.065 1
1 81 . 13 1 1 A 14 14 LYS CB C 14 36.077 36.209 -0.132 1
1 93 . 13 1 1 A 14 14 LYS C C 14 175.154 174.943 0.211 1
1 94 . 13 1 1 A 15 15 CYS N N 15 127.993 124.654 3.339 1
1 95 . 13 1 1 A 15 15 CYS H H 15 9.322 9.250 0.072 1
1 96 . 13 1 1 A 15 15 CYS CA C 15 59.441 59.867 -0.426 1
1 97 . 13 1 1 A 15 15 CYS HA H 15 4.526 4.600 -0.074 1
1 98 . 13 1 1 A 15 15 CYS CB C 15 29.639 28.507 1.132 1
1 101 . 13 1 1 A 15 15 CYS C C 15 176.800 175.733 1.067 1
1 102 . 13 1 1 A 16 16 ASN CA C 16 55.581 53.126 2.455 1
1 103 . 13 1 1 A 16 16 ASN HA H 16 4.498 4.947 -0.449 1
1 104 . 13 1 1 A 16 16 ASN CB C 16 38.278 38.711 -0.433 1
1 110 . 13 1 1 A 16 16 ASN C C 16 175.404 175.629 -0.225 1
1 111 . 13 1 1 A 17 17 GLU N N 17 120.838 118.056 2.782 1
1 112 . 13 1 1 A 17 17 GLU H H 17 8.709 8.042 0.667 1
1 113 . 13 1 1 A 17 17 GLU CA C 17 58.732 57.328 1.404 1
1 114 . 13 1 1 A 17 17 GLU HA H 17 4.180 4.499 -0.319 1
1 115 . 13 1 1 A 17 17 GLU CB C 17 29.321 31.909 -2.588 1
1 121 . 13 1 1 A 17 17 GLU C C 17 177.142 177.940 -0.798 1
1 122 . 13 1 1 A 18 18 CYS N N 18 114.657 115.354 -0.697 1
1 123 . 13 1 1 A 18 18 CYS H H 18 7.916 8.238 -0.322 1
1 124 . 13 1 1 A 18 18 CYS CA C 18 58.276 59.846 -1.570 1
1 125 . 13 1 1 A 18 18 CYS HA H 18 5.140 4.790 0.350 1
1 126 . 13 1 1 A 18 18 CYS CB C 18 32.360 30.088 2.272 1
1 129 . 13 1 1 A 18 18 CYS C C 18 176.225 175.572 0.653 1
1 130 . 13 1 1 A 19 19 GLY N N 19 113.624 109.970 3.654 1
1 131 . 13 1 1 A 19 19 GLY H H 19 8.162 8.427 -0.265 1
1 132 . 13 1 1 A 19 19 GLY CA C 19 46.220 46.255 -0.035 1
1 133 . 13 1 1 A 19 19 GLY HA2 H 19 3.703 4.042 -0.339 1
1 134 . 13 1 1 A 19 19 GLY HA3 H 19 4.211 4.048 0.163 1
1 135 . 13 1 1 A 19 19 GLY C C 19 173.525 173.726 -0.201 1
1 136 . 13 1 1 A 20 20 LYS N N 20 122.667 119.884 2.783 1
1 137 . 13 1 1 A 20 20 LYS H H 20 7.889 7.752 0.137 1
1 138 . 13 1 1 A 20 20 LYS CA C 20 58.257 55.056 3.201 1
1 139 . 13 1 1 A 20 20 LYS HA H 20 3.946 4.844 -0.898 1
1 140 . 13 1 1 A 20 20 LYS CB C 20 33.797 35.707 -1.910 1
1 152 . 13 1 1 A 20 20 LYS C C 20 174.228 174.458 -0.230 1
1 153 . 13 1 1 A 21 21 VAL N N 21 117.585 122.136 -4.551 1
1 154 . 13 1 1 A 21 21 VAL H H 21 7.598 8.622 -1.024 1
1 155 . 13 1 1 A 21 21 VAL CA C 21 60.474 60.379 0.095 1
1 156 . 13 1 1 A 21 21 VAL HA H 21 4.740 5.248 -0.508 1
1 157 . 13 1 1 A 21 21 VAL CB C 21 33.927 33.428 0.499 1
1 167 . 13 1 1 A 21 21 VAL C C 21 175.205 174.657 0.548 1
1 168 . 13 1 1 A 22 22 PHE N N 22 121.649 119.621 2.028 1
1 169 . 13 1 1 A 22 22 PHE H H 22 8.733 8.351 0.382 1
1 170 . 13 1 1 A 22 22 PHE CA C 22 56.779 56.288 0.491 1
1 171 . 13 1 1 A 22 22 PHE HA H 22 4.897 4.957 -0.060 1
1 172 . 13 1 1 A 22 22 PHE CB C 22 43.417 43.582 -0.165 1
1 185 . 13 1 1 A 22 22 PHE C C 22 175.652 175.365 0.287 1
1 186 . 13 1 1 A 23 23 THR N N 23 111.274 116.101 -4.827 1
1 187 . 13 1 1 A 23 23 THR H H 23 9.494 8.660 0.834 1
1 188 . 13 1 1 A 23 23 THR CA C 23 63.213 63.674 -0.461 1
1 189 . 13 1 1 A 23 23 THR HA H 23 4.528 4.252 0.276 1
1 190 . 13 1 1 A 23 23 THR CB C 23 69.708 69.845 -0.137 1
1 196 . 13 1 1 A 23 23 THR C C 23 174.881 173.759 1.122 1
1 197 . 13 1 1 A 24 24 GLN N N 24 115.450 117.887 -2.437 1
1 198 . 13 1 1 A 24 24 GLN H H 24 7.058 7.623 -0.565 1
1 199 . 13 1 1 A 24 24 GLN CA C 24 53.963 54.152 -0.189 1
1 200 . 13 1 1 A 24 24 GLN HA H 24 4.452 4.497 -0.045 1
1 201 . 13 1 1 A 24 24 GLN CB C 24 31.851 31.317 0.534 1
1 210 . 13 1 1 A 24 24 GLN C C 24 175.682 175.336 0.346 1
1 211 . 13 1 1 A 25 25 ASN CA C 25 56.596 56.829 -0.233 1
1 212 . 13 1 1 A 25 25 ASN HA H 25 3.560 4.109 -0.549 1
1 213 . 13 1 1 A 25 25 ASN CB C 25 38.675 38.657 0.018 1
1 219 . 13 1 1 A 26 26 SER CA C 26 61.163 62.354 -1.191 1
1 220 . 13 1 1 A 26 26 SER HA H 26 3.881 4.098 -0.217 1
1 221 . 13 1 1 A 26 26 SER CB C 26 61.444 62.864 -1.420 1
1 224 . 13 1 1 A 26 26 SER C C 26 177.103 176.501 0.602 1
1 225 . 13 1 1 A 27 27 HIS N N 27 120.980 119.499 1.481 1
1 226 . 13 1 1 A 27 27 HIS H H 27 6.699 8.106 -1.407 1
1 227 . 13 1 1 A 27 27 HIS CA C 27 56.939 58.898 -1.959 1
1 228 . 13 1 1 A 27 27 HIS HA H 27 4.344 4.188 0.156 1
1 229 . 13 1 1 A 27 27 HIS CB C 27 31.831 30.026 1.805 1
1 236 . 13 1 1 A 27 27 HIS C C 27 177.849 177.117 0.732 1
1 237 . 13 1 1 A 28 28 LEU N N 28 122.679 120.382 2.297 1
1 238 . 13 1 1 A 28 28 LEU H H 28 6.876 7.425 -0.549 1
1 239 . 13 1 1 A 28 28 LEU CA C 28 57.700 57.967 -0.267 1
1 240 . 13 1 1 A 28 28 LEU HA H 28 3.175 2.891 0.284 1
1 241 . 13 1 1 A 28 28 LEU CB C 28 40.513 41.389 -0.876 1
1 254 . 13 1 1 A 28 28 LEU C C 28 177.396 178.522 -1.126 1
1 255 . 13 1 1 A 29 29 VAL N N 29 119.083 119.426 -0.343 1
1 256 . 13 1 1 A 29 29 VAL H H 29 8.251 8.218 0.033 1
1 257 . 13 1 1 A 29 29 VAL CA C 29 66.791 67.254 -0.463 1
1 258 . 13 1 1 A 29 29 VAL HA H 29 3.372 3.446 -0.074 1
1 259 . 13 1 1 A 29 29 VAL CB C 29 31.749 31.425 0.324 1
1 269 . 13 1 1 A 29 29 VAL C C 29 178.979 177.734 1.245 1
1 270 . 13 1 1 A 30 30 ARG N N 30 118.008 119.277 -1.269 1
1 271 . 13 1 1 A 30 30 ARG H H 30 7.431 7.943 -0.512 1
1 272 . 13 1 1 A 30 30 ARG CA C 30 58.827 59.836 -1.009 1
1 273 . 13 1 1 A 30 30 ARG HA H 30 3.988 3.943 0.045 1
1 274 . 13 1 1 A 30 30 ARG CB C 30 30.154 29.855 0.299 1
1 283 . 13 1 1 A 30 30 ARG C C 30 178.629 178.538 0.091 1
1 284 . 13 1 1 A 31 31 HIS N N 31 119.261 119.644 -0.383 1
1 285 . 13 1 1 A 31 31 HIS H H 31 7.645 8.396 -0.751 1
1 286 . 13 1 1 A 31 31 HIS CA C 31 58.859 59.925 -1.066 1
1 287 . 13 1 1 A 31 31 HIS HA H 31 4.182 4.100 0.082 1
1 288 . 13 1 1 A 31 31 HIS CB C 31 28.757 29.695 -0.938 1
1 295 . 13 1 1 A 31 31 HIS C C 31 175.828 176.557 -0.729 1
1 296 . 13 1 1 A 32 32 ARG N N 32 115.529 117.350 -1.821 1
1 297 . 13 1 1 A 32 32 ARG H H 32 8.072 8.345 -0.273 1
1 298 . 13 1 1 A 32 32 ARG CA C 32 59.996 59.073 0.923 1
1 299 . 13 1 1 A 32 32 ARG HA H 32 3.724 3.938 -0.214 1
1 300 . 13 1 1 A 32 32 ARG CB C 32 29.913 29.880 0.033 1
1 309 . 13 1 1 A 32 32 ARG C C 32 178.047 179.529 -1.482 1
1 310 . 13 1 1 A 33 33 GLY N N 33 105.489 108.521 -3.032 1
1 311 . 13 1 1 A 33 33 GLY H H 33 7.514 8.720 -1.206 1
1 312 . 13 1 1 A 33 33 GLY CA C 33 46.567 47.256 -0.689 1
1 313 . 13 1 1 A 33 33 GLY HA2 H 33 3.988 3.716 0.272 1
1 314 . 13 1 1 A 33 33 GLY HA3 H 33 3.867 3.737 0.130 1
1 315 . 13 1 1 A 33 33 GLY C C 33 175.858 176.008 -0.150 1
1 316 . 13 1 1 A 34 34 ILE N N 34 118.370 120.357 -1.987 1
1 317 . 13 1 1 A 34 34 ILE H H 34 7.808 8.233 -0.425 1
1 318 . 13 1 1 A 34 34 ILE CA C 34 62.704 64.575 -1.871 1
1 319 . 13 1 1 A 34 34 ILE HA H 34 4.015 3.776 0.239 1
1 320 . 13 1 1 A 34 34 ILE CB C 34 37.645 37.404 0.241 1
1 333 . 13 1 1 A 34 34 ILE C C 34 177.413 177.613 -0.200 1
1 334 . 13 1 1 A 35 35 HIS N N 35 117.927 120.892 -2.965 1
1 335 . 13 1 1 A 35 35 HIS H H 35 7.318 8.234 -0.916 1
1 336 . 13 1 1 A 35 35 HIS CA C 35 55.214 59.668 -4.454 1
1 337 . 13 1 1 A 35 35 HIS HA H 35 4.843 4.341 0.502 1
1 338 . 13 1 1 A 35 35 HIS CB C 35 28.625 30.404 -1.779 1
1 345 . 13 1 1 A 35 35 HIS C C 35 175.767 176.333 -0.566 1
1 346 . 13 1 1 A 36 36 THR N N 36 111.953 109.382 2.571 1
1 347 . 13 1 1 A 36 36 THR H H 36 7.787 7.385 0.402 1
1 348 . 13 1 1 A 36 36 THR CA C 36 62.359 61.619 0.740 1
1 349 . 13 1 1 A 36 36 THR HA H 36 4.329 4.288 0.041 1
1 350 . 13 1 1 A 36 36 THR CB C 36 69.674 68.552 1.122 1
1 356 . 13 1 1 A 36 36 THR C C 36 175.402 174.805 0.597 1
1 357 . 13 1 1 A 37 37 GLY N N 37 110.854 110.936 -0.082 1
1 358 . 13 1 1 A 37 37 GLY H H 37 8.240 8.119 0.121 1
1 359 . 13 1 1 A 37 37 GLY CA C 37 45.374 44.345 1.029 1
1 360 . 13 1 1 A 37 37 GLY HA2 H 37 3.969 4.031 -0.062 1
1 361 . 13 1 1 A 37 37 GLY HA3 H 37 3.969 4.038 -0.069 1
1 362 . 13 1 1 A 37 37 GLY C C 37 174.095 172.496 1.599 1
1 363 . 13 1 1 A 38 38 GLU N N 38 120.594 121.583 -0.989 1
1 364 . 13 1 1 A 38 38 GLU H H 38 8.078 8.500 -0.422 1
1 365 . 13 1 1 A 38 38 GLU CA C 38 56.370 55.160 1.210 1
1 366 . 13 1 1 A 38 38 GLU HA H 38 4.216 4.621 -0.405 1
1 367 . 13 1 1 A 38 38 GLU CB C 38 30.465 31.341 -0.876 1
1 373 . 13 1 1 A 38 38 GLU C C 38 176.250 175.819 0.431 1
1 374 . 13 1 1 A 39 39 LYS N N 39 123.816 122.192 1.624 1
1 375 . 13 1 1 A 39 39 LYS H H 39 8.397 8.838 -0.441 1
1 376 . 13 1 1 A 39 39 LYS CA C 39 54.085 56.924 -2.839 1
1 377 . 13 1 1 A 39 39 LYS HA H 39 4.574 3.790 0.784 1
1 378 . 13 1 1 A 39 39 LYS CB C 39 32.412 30.424 1.988 1
1 385 . 13 1 1 A 39 39 LYS C C 39 174.477 174.737 -0.260 1
1 386 . 13 1 1 A 40 40 PRO CA C 40 63.185 62.373 0.812 1
1 387 . 13 1 1 A 40 40 PRO HA H 40 4.439 4.545 -0.106 1
1 388 . 13 1 1 A 40 40 PRO CB C 40 32.140 32.432 -0.292 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.463 47.609 -2.146 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.028 3.831 0.197 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.028 3.831 0.197 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.552 174.402 0.150 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.866 112.386 0.480 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.147 7.801 0.346 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.817 61.079 0.738 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.339 4.740 -0.401 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.759 70.852 -1.093 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.264 174.154 1.110 1
1 16 . 14 1 1 A 9 9 GLY N N 9 111.067 113.950 -2.883 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.443 8.729 -0.286 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.274 44.681 0.593 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.943 4.046 -0.103 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.943 4.048 -0.105 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.030 173.410 0.620 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.578 119.930 0.648 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.208 8.141 0.067 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.472 54.874 1.598 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.219 4.861 -0.642 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.440 33.378 -2.938 1
1 31 . 14 1 1 A 10 10 GLU C C 10 176.263 175.246 1.017 1
1 32 . 14 1 1 A 11 11 LYS N N 11 123.011 126.261 -3.250 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.294 8.610 -0.316 1
1 34 . 14 1 1 A 11 11 LYS CA C 11 53.808 54.602 -0.794 1
1 35 . 14 1 1 A 11 11 LYS HA H 11 4.507 4.464 0.043 1
1 36 . 14 1 1 A 11 11 LYS CB C 11 32.578 33.458 -0.880 1
1 48 . 14 1 1 A 11 11 LYS C C 11 174.019 176.277 -2.258 1
1 49 . 14 1 1 A 12 12 PRO CA C 12 62.899 64.324 -1.425 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.290 4.540 -0.250 1
1 51 . 14 1 1 A 12 12 PRO CB C 12 32.252 31.657 0.595 1
1 60 . 14 1 1 A 12 12 PRO C C 12 176.475 176.149 0.326 1
1 61 . 14 1 1 A 13 13 TYR N N 13 119.889 118.729 1.160 1
1 62 . 14 1 1 A 13 13 TYR H H 13 8.093 7.837 0.256 1
1 63 . 14 1 1 A 13 13 TYR CA C 13 57.162 56.621 0.541 1
1 64 . 14 1 1 A 13 13 TYR HA H 13 4.587 5.038 -0.451 1
1 65 . 14 1 1 A 13 13 TYR CB C 13 38.013 39.060 -1.047 1
1 76 . 14 1 1 A 13 13 TYR C C 13 174.036 174.529 -0.493 1
1 77 . 14 1 1 A 14 14 LYS N N 14 124.683 125.406 -0.723 1
1 78 . 14 1 1 A 14 14 LYS H H 14 8.350 8.975 -0.625 1
1 79 . 14 1 1 A 14 14 LYS CA C 14 54.699 54.226 0.473 1
1 80 . 14 1 1 A 14 14 LYS HA H 14 5.082 5.514 -0.432 1
1 81 . 14 1 1 A 14 14 LYS CB C 14 36.077 36.324 -0.247 1
1 93 . 14 1 1 A 14 14 LYS C C 14 175.154 175.169 -0.015 1
1 94 . 14 1 1 A 15 15 CYS N N 15 127.993 124.043 3.950 1
1 95 . 14 1 1 A 15 15 CYS H H 15 9.322 9.065 0.257 1
1 96 . 14 1 1 A 15 15 CYS CA C 15 59.441 58.831 0.610 1
1 97 . 14 1 1 A 15 15 CYS HA H 15 4.526 4.607 -0.081 1
1 98 . 14 1 1 A 15 15 CYS CB C 15 29.639 28.202 1.437 1
1 101 . 14 1 1 A 15 15 CYS C C 15 176.800 175.914 0.886 1
1 102 . 14 1 1 A 16 16 ASN CA C 16 55.581 55.555 0.026 1
1 103 . 14 1 1 A 16 16 ASN HA H 16 4.498 4.454 0.044 1
1 104 . 14 1 1 A 16 16 ASN CB C 16 38.278 38.518 -0.240 1
1 110 . 14 1 1 A 16 16 ASN C C 16 175.404 176.980 -1.576 1
1 111 . 14 1 1 A 17 17 GLU N N 17 120.838 118.339 2.499 1
1 112 . 14 1 1 A 17 17 GLU H H 17 8.709 8.102 0.607 1
1 113 . 14 1 1 A 17 17 GLU CA C 17 58.732 58.750 -0.018 1
1 114 . 14 1 1 A 17 17 GLU HA H 17 4.180 3.987 0.193 1
1 115 . 14 1 1 A 17 17 GLU CB C 17 29.321 29.138 0.183 1
1 121 . 14 1 1 A 17 17 GLU C C 17 177.142 178.103 -0.961 1
1 122 . 14 1 1 A 18 18 CYS N N 18 114.657 115.013 -0.356 1
1 123 . 14 1 1 A 18 18 CYS H H 18 7.916 8.013 -0.097 1
1 124 . 14 1 1 A 18 18 CYS CA C 18 58.276 59.792 -1.516 1
1 125 . 14 1 1 A 18 18 CYS HA H 18 5.140 4.755 0.385 1
1 126 . 14 1 1 A 18 18 CYS CB C 18 32.360 29.905 2.455 1
1 129 . 14 1 1 A 18 18 CYS C C 18 176.225 175.497 0.728 1
1 130 . 14 1 1 A 19 19 GLY N N 19 113.624 109.579 4.045 1
1 131 . 14 1 1 A 19 19 GLY H H 19 8.162 8.201 -0.039 1
1 132 . 14 1 1 A 19 19 GLY CA C 19 46.220 45.731 0.489 1
1 133 . 14 1 1 A 19 19 GLY HA2 H 19 3.703 4.070 -0.367 1
1 134 . 14 1 1 A 19 19 GLY HA3 H 19 4.211 4.075 0.136 1
1 135 . 14 1 1 A 19 19 GLY C C 19 173.525 174.046 -0.521 1
1 136 . 14 1 1 A 20 20 LYS N N 20 122.667 120.340 2.327 1
1 137 . 14 1 1 A 20 20 LYS H H 20 7.889 7.731 0.158 1
1 138 . 14 1 1 A 20 20 LYS CA C 20 58.257 54.797 3.460 1
1 139 . 14 1 1 A 20 20 LYS HA H 20 3.946 4.718 -0.772 1
1 140 . 14 1 1 A 20 20 LYS CB C 20 33.797 35.189 -1.392 1
1 152 . 14 1 1 A 20 20 LYS C C 20 174.228 175.576 -1.348 1
1 153 . 14 1 1 A 21 21 VAL N N 21 117.585 122.226 -4.641 1
1 154 . 14 1 1 A 21 21 VAL H H 21 7.598 8.658 -1.060 1
1 155 . 14 1 1 A 21 21 VAL CA C 21 60.474 60.439 0.035 1
1 156 . 14 1 1 A 21 21 VAL HA H 21 4.740 5.189 -0.449 1
1 157 . 14 1 1 A 21 21 VAL CB C 21 33.927 33.385 0.542 1
1 167 . 14 1 1 A 21 21 VAL C C 21 175.205 174.630 0.575 1
1 168 . 14 1 1 A 22 22 PHE N N 22 121.649 120.096 1.553 1
1 169 . 14 1 1 A 22 22 PHE H H 22 8.733 8.564 0.169 1
1 170 . 14 1 1 A 22 22 PHE CA C 22 56.779 56.392 0.387 1
1 171 . 14 1 1 A 22 22 PHE HA H 22 4.897 5.065 -0.168 1
1 172 . 14 1 1 A 22 22 PHE CB C 22 43.417 43.860 -0.443 1
1 185 . 14 1 1 A 22 22 PHE C C 22 175.652 175.440 0.212 1
1 186 . 14 1 1 A 23 23 THR N N 23 111.274 114.498 -3.224 1
1 187 . 14 1 1 A 23 23 THR H H 23 9.494 8.755 0.739 1
1 188 . 14 1 1 A 23 23 THR CA C 23 63.213 62.835 0.378 1
1 189 . 14 1 1 A 23 23 THR HA H 23 4.528 4.304 0.224 1
1 190 . 14 1 1 A 23 23 THR CB C 23 69.708 69.370 0.338 1
1 196 . 14 1 1 A 23 23 THR C C 23 174.881 173.925 0.956 1
1 197 . 14 1 1 A 24 24 GLN N N 24 115.450 121.228 -5.778 1
1 198 . 14 1 1 A 24 24 GLN H H 24 7.058 7.699 -0.641 1
1 199 . 14 1 1 A 24 24 GLN CA C 24 53.963 54.642 -0.679 1
1 200 . 14 1 1 A 24 24 GLN HA H 24 4.452 4.449 0.003 1
1 201 . 14 1 1 A 24 24 GLN CB C 24 31.851 30.629 1.222 1
1 210 . 14 1 1 A 24 24 GLN C C 24 175.682 176.489 -0.807 1
1 211 . 14 1 1 A 25 25 ASN CA C 25 56.596 56.309 0.287 1
1 212 . 14 1 1 A 25 25 ASN HA H 25 3.560 4.696 -1.136 1
1 213 . 14 1 1 A 25 25 ASN CB C 25 38.675 37.700 0.975 1
1 219 . 14 1 1 A 26 26 SER CA C 26 61.163 60.571 0.592 1
1 220 . 14 1 1 A 26 26 SER HA H 26 3.881 4.263 -0.382 1
1 221 . 14 1 1 A 26 26 SER CB C 26 61.444 63.194 -1.750 1
1 224 . 14 1 1 A 26 26 SER C C 26 177.103 177.157 -0.054 1
1 225 . 14 1 1 A 27 27 HIS N N 27 120.980 118.873 2.107 1
1 226 . 14 1 1 A 27 27 HIS H H 27 6.699 7.838 -1.139 1
1 227 . 14 1 1 A 27 27 HIS CA C 27 56.939 59.426 -2.487 1
1 228 . 14 1 1 A 27 27 HIS HA H 27 4.344 4.263 0.081 1
1 229 . 14 1 1 A 27 27 HIS CB C 27 31.831 30.781 1.050 1
1 236 . 14 1 1 A 27 27 HIS C C 27 177.849 177.628 0.221 1
1 237 . 14 1 1 A 28 28 LEU N N 28 122.679 119.972 2.707 1
1 238 . 14 1 1 A 28 28 LEU H H 28 6.876 7.791 -0.915 1
1 239 . 14 1 1 A 28 28 LEU CA C 28 57.700 57.212 0.488 1
1 240 . 14 1 1 A 28 28 LEU HA H 28 3.175 2.925 0.250 1
1 241 . 14 1 1 A 28 28 LEU CB C 28 40.513 41.681 -1.168 1
1 254 . 14 1 1 A 28 28 LEU C C 28 177.396 177.942 -0.546 1
1 255 . 14 1 1 A 29 29 VAL N N 29 119.083 118.314 0.769 1
1 256 . 14 1 1 A 29 29 VAL H H 29 8.251 8.404 -0.153 1
1 257 . 14 1 1 A 29 29 VAL CA C 29 66.791 65.150 1.641 1
1 258 . 14 1 1 A 29 29 VAL HA H 29 3.372 3.658 -0.286 1
1 259 . 14 1 1 A 29 29 VAL CB C 29 31.749 31.076 0.673 1
1 269 . 14 1 1 A 29 29 VAL C C 29 178.979 177.686 1.293 1
1 270 . 14 1 1 A 30 30 ARG N N 30 118.008 121.533 -3.525 1
1 271 . 14 1 1 A 30 30 ARG H H 30 7.431 7.601 -0.170 1
1 272 . 14 1 1 A 30 30 ARG CA C 30 58.827 59.313 -0.486 1
1 273 . 14 1 1 A 30 30 ARG HA H 30 3.988 3.930 0.058 1
1 274 . 14 1 1 A 30 30 ARG CB C 30 30.154 30.028 0.126 1
1 283 . 14 1 1 A 30 30 ARG C C 30 178.629 178.224 0.405 1
1 284 . 14 1 1 A 31 31 HIS N N 31 119.261 119.248 0.013 1
1 285 . 14 1 1 A 31 31 HIS H H 31 7.645 7.697 -0.052 1
1 286 . 14 1 1 A 31 31 HIS CA C 31 58.859 59.882 -1.023 1
1 287 . 14 1 1 A 31 31 HIS HA H 31 4.182 4.229 -0.047 1
1 288 . 14 1 1 A 31 31 HIS CB C 31 28.757 29.392 -0.635 1
1 295 . 14 1 1 A 31 31 HIS C C 31 175.828 176.596 -0.768 1
1 296 . 14 1 1 A 32 32 ARG N N 32 115.529 117.107 -1.578 1
1 297 . 14 1 1 A 32 32 ARG H H 32 8.072 8.095 -0.023 1
1 298 . 14 1 1 A 32 32 ARG CA C 32 59.996 58.945 1.051 1
1 299 . 14 1 1 A 32 32 ARG HA H 32 3.724 3.975 -0.251 1
1 300 . 14 1 1 A 32 32 ARG CB C 32 29.913 29.878 0.035 1
1 309 . 14 1 1 A 32 32 ARG C C 32 178.047 179.812 -1.765 1
1 310 . 14 1 1 A 33 33 GLY N N 33 105.489 108.469 -2.980 1
1 311 . 14 1 1 A 33 33 GLY H H 33 7.514 8.392 -0.878 1
1 312 . 14 1 1 A 33 33 GLY CA C 33 46.567 47.331 -0.764 1
1 313 . 14 1 1 A 33 33 GLY HA2 H 33 3.988 3.653 0.335 1
1 314 . 14 1 1 A 33 33 GLY HA3 H 33 3.867 3.668 0.199 1
1 315 . 14 1 1 A 33 33 GLY C C 33 175.858 176.001 -0.143 1
1 316 . 14 1 1 A 34 34 ILE N N 34 118.370 120.108 -1.738 1
1 317 . 14 1 1 A 34 34 ILE H H 34 7.808 8.227 -0.419 1
1 318 . 14 1 1 A 34 34 ILE CA C 34 62.704 63.812 -1.108 1
1 319 . 14 1 1 A 34 34 ILE HA H 34 4.015 3.803 0.212 1
1 320 . 14 1 1 A 34 34 ILE CB C 34 37.645 37.405 0.240 1
1 333 . 14 1 1 A 34 34 ILE C C 34 177.413 177.652 -0.239 1
1 334 . 14 1 1 A 35 35 HIS N N 35 117.927 119.431 -1.504 1
1 335 . 14 1 1 A 35 35 HIS H H 35 7.318 7.736 -0.418 1
1 336 . 14 1 1 A 35 35 HIS CA C 35 55.214 58.660 -3.446 1
1 337 . 14 1 1 A 35 35 HIS HA H 35 4.843 4.431 0.412 1
1 338 . 14 1 1 A 35 35 HIS CB C 35 28.625 31.134 -2.509 1
1 345 . 14 1 1 A 35 35 HIS C C 35 175.767 175.766 0.001 1
1 346 . 14 1 1 A 36 36 THR N N 36 111.953 110.004 1.949 1
1 347 . 14 1 1 A 36 36 THR H H 36 7.787 7.432 0.355 1
1 348 . 14 1 1 A 36 36 THR CA C 36 62.359 62.448 -0.089 1
1 349 . 14 1 1 A 36 36 THR HA H 36 4.329 4.226 0.103 1
1 350 . 14 1 1 A 36 36 THR CB C 36 69.674 67.760 1.914 1
1 356 . 14 1 1 A 36 36 THR C C 36 175.402 174.488 0.914 1
1 357 . 14 1 1 A 37 37 GLY N N 37 110.854 112.460 -1.606 1
1 358 . 14 1 1 A 37 37 GLY H H 37 8.240 8.090 0.150 1
1 359 . 14 1 1 A 37 37 GLY CA C 37 45.374 46.083 -0.709 1
1 360 . 14 1 1 A 37 37 GLY HA2 H 37 3.969 4.158 -0.189 1
1 361 . 14 1 1 A 37 37 GLY HA3 H 37 3.969 4.164 -0.195 1
1 362 . 14 1 1 A 37 37 GLY C C 37 174.095 173.174 0.921 1
1 363 . 14 1 1 A 38 38 GLU N N 38 120.594 121.880 -1.286 1
1 364 . 14 1 1 A 38 38 GLU H H 38 8.078 8.474 -0.396 1
1 365 . 14 1 1 A 38 38 GLU CA C 38 56.370 55.516 0.854 1
1 366 . 14 1 1 A 38 38 GLU HA H 38 4.216 4.622 -0.406 1
1 367 . 14 1 1 A 38 38 GLU CB C 38 30.465 30.591 -0.126 1
1 373 . 14 1 1 A 38 38 GLU C C 38 176.250 174.486 1.764 1
1 374 . 14 1 1 A 39 39 LYS N N 39 123.816 126.050 -2.234 1
1 375 . 14 1 1 A 39 39 LYS H H 39 8.397 8.827 -0.430 1
1 376 . 14 1 1 A 39 39 LYS CA C 39 54.085 53.339 0.746 1
1 377 . 14 1 1 A 39 39 LYS HA H 39 4.574 4.958 -0.384 1
1 378 . 14 1 1 A 39 39 LYS CB C 39 32.412 33.960 -1.548 1
1 385 . 14 1 1 A 39 39 LYS C C 39 174.477 174.189 0.288 1
1 386 . 14 1 1 A 40 40 PRO CA C 40 63.185 62.389 0.796 1
1 387 . 14 1 1 A 40 40 PRO HA H 40 4.439 4.626 -0.187 1
1 388 . 14 1 1 A 40 40 PRO CB C 40 32.140 30.577 1.563 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.463 47.111 -1.648 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.028 3.882 0.146 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.028 3.883 0.145 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.552 175.797 -1.245 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.866 114.259 -1.393 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.147 8.105 0.042 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.817 63.641 -1.824 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.339 4.206 0.133 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.759 69.878 -0.119 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.264 175.137 0.127 1
1 16 . 15 1 1 A 9 9 GLY N N 9 111.067 110.631 0.436 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.443 8.025 0.418 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.274 46.845 -1.571 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.943 3.906 0.037 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.943 3.909 0.034 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.030 174.768 -0.738 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.578 121.845 -1.267 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.208 8.261 -0.053 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.472 55.337 1.135 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.219 4.438 -0.219 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.440 29.125 1.315 1
1 31 . 15 1 1 A 10 10 GLU C C 10 176.263 175.504 0.759 1
1 32 . 15 1 1 A 11 11 LYS N N 11 123.011 123.014 -0.003 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.294 7.492 0.802 1
1 34 . 15 1 1 A 11 11 LYS CA C 11 53.808 53.916 -0.108 1
1 35 . 15 1 1 A 11 11 LYS HA H 11 4.507 4.612 -0.105 1
1 36 . 15 1 1 A 11 11 LYS CB C 11 32.578 35.890 -3.312 1
1 48 . 15 1 1 A 11 11 LYS C C 11 174.019 175.038 -1.019 1
1 49 . 15 1 1 A 12 12 PRO CA C 12 62.899 64.485 -1.586 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.290 4.404 -0.114 1
1 51 . 15 1 1 A 12 12 PRO CB C 12 32.252 31.783 0.469 1
1 60 . 15 1 1 A 12 12 PRO C C 12 176.475 175.908 0.567 1
1 61 . 15 1 1 A 13 13 TYR N N 13 119.889 118.435 1.454 1
1 62 . 15 1 1 A 13 13 TYR H H 13 8.093 7.873 0.220 1
1 63 . 15 1 1 A 13 13 TYR CA C 13 57.162 56.882 0.280 1
1 64 . 15 1 1 A 13 13 TYR HA H 13 4.587 4.940 -0.353 1
1 65 . 15 1 1 A 13 13 TYR CB C 13 38.013 38.727 -0.714 1
1 76 . 15 1 1 A 13 13 TYR C C 13 174.036 174.435 -0.399 1
1 77 . 15 1 1 A 14 14 LYS N N 14 124.683 125.069 -0.386 1
1 78 . 15 1 1 A 14 14 LYS H H 14 8.350 8.864 -0.514 1
1 79 . 15 1 1 A 14 14 LYS CA C 14 54.699 54.528 0.171 1
1 80 . 15 1 1 A 14 14 LYS HA H 14 5.082 5.313 -0.231 1
1 81 . 15 1 1 A 14 14 LYS CB C 14 36.077 36.180 -0.103 1
1 93 . 15 1 1 A 14 14 LYS C C 14 175.154 174.599 0.555 1
1 94 . 15 1 1 A 15 15 CYS N N 15 127.993 123.974 4.019 1
1 95 . 15 1 1 A 15 15 CYS H H 15 9.322 9.083 0.239 1
1 96 . 15 1 1 A 15 15 CYS CA C 15 59.441 58.791 0.650 1
1 97 . 15 1 1 A 15 15 CYS HA H 15 4.526 4.721 -0.195 1
1 98 . 15 1 1 A 15 15 CYS CB C 15 29.639 28.514 1.125 1
1 101 . 15 1 1 A 15 15 CYS C C 15 176.800 175.921 0.879 1
1 102 . 15 1 1 A 16 16 ASN CA C 16 55.581 53.139 2.442 1
1 103 . 15 1 1 A 16 16 ASN HA H 16 4.498 4.937 -0.439 1
1 104 . 15 1 1 A 16 16 ASN CB C 16 38.278 38.516 -0.238 1
1 110 . 15 1 1 A 16 16 ASN C C 16 175.404 175.668 -0.264 1
1 111 . 15 1 1 A 17 17 GLU N N 17 120.838 118.287 2.551 1
1 112 . 15 1 1 A 17 17 GLU H H 17 8.709 8.019 0.690 1
1 113 . 15 1 1 A 17 17 GLU CA C 17 58.732 57.183 1.549 1
1 114 . 15 1 1 A 17 17 GLU HA H 17 4.180 4.481 -0.301 1
1 115 . 15 1 1 A 17 17 GLU CB C 17 29.321 31.935 -2.614 1
1 121 . 15 1 1 A 17 17 GLU C C 17 177.142 177.805 -0.663 1
1 122 . 15 1 1 A 18 18 CYS N N 18 114.657 114.867 -0.210 1
1 123 . 15 1 1 A 18 18 CYS H H 18 7.916 8.097 -0.181 1
1 124 . 15 1 1 A 18 18 CYS CA C 18 58.276 59.656 -1.380 1
1 125 . 15 1 1 A 18 18 CYS HA H 18 5.140 4.751 0.389 1
1 126 . 15 1 1 A 18 18 CYS CB C 18 32.360 30.147 2.213 1
1 129 . 15 1 1 A 18 18 CYS C C 18 176.225 175.551 0.674 1
1 130 . 15 1 1 A 19 19 GLY N N 19 113.624 110.045 3.579 1
1 131 . 15 1 1 A 19 19 GLY H H 19 8.162 8.389 -0.227 1
1 132 . 15 1 1 A 19 19 GLY CA C 19 46.220 45.867 0.353 1
1 133 . 15 1 1 A 19 19 GLY HA2 H 19 3.703 4.054 -0.351 1
1 134 . 15 1 1 A 19 19 GLY HA3 H 19 4.211 4.056 0.155 1
1 135 . 15 1 1 A 19 19 GLY C C 19 173.525 173.921 -0.396 1
1 136 . 15 1 1 A 20 20 LYS N N 20 122.667 120.016 2.651 1
1 137 . 15 1 1 A 20 20 LYS H H 20 7.889 7.608 0.281 1
1 138 . 15 1 1 A 20 20 LYS CA C 20 58.257 54.752 3.505 1
1 139 . 15 1 1 A 20 20 LYS HA H 20 3.946 4.698 -0.752 1
1 140 . 15 1 1 A 20 20 LYS CB C 20 33.797 35.166 -1.369 1
1 152 . 15 1 1 A 20 20 LYS C C 20 174.228 175.356 -1.128 1
1 153 . 15 1 1 A 21 21 VAL N N 21 117.585 121.687 -4.102 1
1 154 . 15 1 1 A 21 21 VAL H H 21 7.598 8.660 -1.062 1
1 155 . 15 1 1 A 21 21 VAL CA C 21 60.474 60.370 0.104 1
1 156 . 15 1 1 A 21 21 VAL HA H 21 4.740 5.046 -0.306 1
1 157 . 15 1 1 A 21 21 VAL CB C 21 33.927 33.348 0.579 1
1 167 . 15 1 1 A 21 21 VAL C C 21 175.205 174.420 0.785 1
1 168 . 15 1 1 A 22 22 PHE N N 22 121.649 120.422 1.227 1
1 169 . 15 1 1 A 22 22 PHE H H 22 8.733 8.732 0.001 1
1 170 . 15 1 1 A 22 22 PHE CA C 22 56.779 56.820 -0.041 1
1 171 . 15 1 1 A 22 22 PHE HA H 22 4.897 4.881 0.016 1
1 172 . 15 1 1 A 22 22 PHE CB C 22 43.417 42.930 0.487 1
1 185 . 15 1 1 A 22 22 PHE C C 22 175.652 175.815 -0.163 1
1 186 . 15 1 1 A 23 23 THR N N 23 111.274 118.243 -6.969 1
1 187 . 15 1 1 A 23 23 THR H H 23 9.494 8.612 0.882 1
1 188 . 15 1 1 A 23 23 THR CA C 23 63.213 64.447 -1.234 1
1 189 . 15 1 1 A 23 23 THR HA H 23 4.528 4.205 0.323 1
1 190 . 15 1 1 A 23 23 THR CB C 23 69.708 69.384 0.324 1
1 196 . 15 1 1 A 23 23 THR C C 23 174.881 173.931 0.950 1
1 197 . 15 1 1 A 24 24 GLN N N 24 115.450 118.381 -2.931 1
1 198 . 15 1 1 A 24 24 GLN H H 24 7.058 7.865 -0.807 1
1 199 . 15 1 1 A 24 24 GLN CA C 24 53.963 53.883 0.080 1
1 200 . 15 1 1 A 24 24 GLN HA H 24 4.452 4.471 -0.019 1
1 201 . 15 1 1 A 24 24 GLN CB C 24 31.851 31.069 0.782 1
1 210 . 15 1 1 A 24 24 GLN C C 24 175.682 175.284 0.398 1
1 211 . 15 1 1 A 25 25 ASN CA C 25 56.596 56.812 -0.216 1
1 212 . 15 1 1 A 25 25 ASN HA H 25 3.560 4.120 -0.560 1
1 213 . 15 1 1 A 25 25 ASN CB C 25 38.675 38.915 -0.240 1
1 219 . 15 1 1 A 26 26 SER CA C 26 61.163 61.470 -0.307 1
1 220 . 15 1 1 A 26 26 SER HA H 26 3.881 4.146 -0.265 1
1 221 . 15 1 1 A 26 26 SER CB C 26 61.444 62.343 -0.899 1
1 224 . 15 1 1 A 26 26 SER C C 26 177.103 177.208 -0.105 1
1 225 . 15 1 1 A 27 27 HIS N N 27 120.980 118.568 2.412 1
1 226 . 15 1 1 A 27 27 HIS H H 27 6.699 7.791 -1.092 1
1 227 . 15 1 1 A 27 27 HIS CA C 27 56.939 58.697 -1.758 1
1 228 . 15 1 1 A 27 27 HIS HA H 27 4.344 4.207 0.137 1
1 229 . 15 1 1 A 27 27 HIS CB C 27 31.831 29.950 1.881 1
1 236 . 15 1 1 A 27 27 HIS C C 27 177.849 177.241 0.608 1
1 237 . 15 1 1 A 28 28 LEU N N 28 122.679 120.679 2.000 1
1 238 . 15 1 1 A 28 28 LEU H H 28 6.876 7.595 -0.719 1
1 239 . 15 1 1 A 28 28 LEU CA C 28 57.700 57.883 -0.183 1
1 240 . 15 1 1 A 28 28 LEU HA H 28 3.175 3.069 0.106 1
1 241 . 15 1 1 A 28 28 LEU CB C 28 40.513 41.828 -1.315 1
1 254 . 15 1 1 A 28 28 LEU C C 28 177.396 178.573 -1.177 1
1 255 . 15 1 1 A 29 29 VAL N N 29 119.083 119.469 -0.386 1
1 256 . 15 1 1 A 29 29 VAL H H 29 8.251 7.909 0.342 1
1 257 . 15 1 1 A 29 29 VAL CA C 29 66.791 67.038 -0.247 1
1 258 . 15 1 1 A 29 29 VAL HA H 29 3.372 3.558 -0.186 1
1 259 . 15 1 1 A 29 29 VAL CB C 29 31.749 31.469 0.280 1
1 269 . 15 1 1 A 29 29 VAL C C 29 178.979 177.914 1.065 1
1 270 . 15 1 1 A 30 30 ARG N N 30 118.008 119.144 -1.136 1
1 271 . 15 1 1 A 30 30 ARG H H 30 7.431 7.784 -0.353 1
1 272 . 15 1 1 A 30 30 ARG CA C 30 58.827 59.309 -0.482 1
1 273 . 15 1 1 A 30 30 ARG HA H 30 3.988 4.082 -0.094 1
1 274 . 15 1 1 A 30 30 ARG CB C 30 30.154 30.217 -0.063 1
1 283 . 15 1 1 A 30 30 ARG C C 30 178.629 178.365 0.264 1
1 284 . 15 1 1 A 31 31 HIS N N 31 119.261 119.501 -0.240 1
1 285 . 15 1 1 A 31 31 HIS H H 31 7.645 8.396 -0.751 1
1 286 . 15 1 1 A 31 31 HIS CA C 31 58.859 59.842 -0.983 1
1 287 . 15 1 1 A 31 31 HIS HA H 31 4.182 4.081 0.101 1
1 288 . 15 1 1 A 31 31 HIS CB C 31 28.757 29.346 -0.589 1
1 295 . 15 1 1 A 31 31 HIS C C 31 175.828 176.484 -0.656 1
1 296 . 15 1 1 A 32 32 ARG N N 32 115.529 117.242 -1.713 1
1 297 . 15 1 1 A 32 32 ARG H H 32 8.072 8.077 -0.005 1
1 298 . 15 1 1 A 32 32 ARG CA C 32 59.996 59.071 0.925 1
1 299 . 15 1 1 A 32 32 ARG HA H 32 3.724 3.987 -0.263 1
1 300 . 15 1 1 A 32 32 ARG CB C 32 29.913 29.837 0.076 1
1 309 . 15 1 1 A 32 32 ARG C C 32 178.047 179.628 -1.581 1
1 310 . 15 1 1 A 33 33 GLY N N 33 105.489 108.346 -2.857 1
1 311 . 15 1 1 A 33 33 GLY H H 33 7.514 8.723 -1.209 1
1 312 . 15 1 1 A 33 33 GLY CA C 33 46.567 47.054 -0.487 1
1 313 . 15 1 1 A 33 33 GLY HA2 H 33 3.988 3.815 0.173 1
1 314 . 15 1 1 A 33 33 GLY HA3 H 33 3.867 3.834 0.033 1
1 315 . 15 1 1 A 33 33 GLY C C 33 175.858 174.828 1.030 1
1 316 . 15 1 1 A 34 34 ILE N N 34 118.370 118.037 0.333 1
1 317 . 15 1 1 A 34 34 ILE H H 34 7.808 8.266 -0.458 1
1 318 . 15 1 1 A 34 34 ILE CA C 34 62.704 61.025 1.679 1
1 319 . 15 1 1 A 34 34 ILE HA H 34 4.015 3.960 0.055 1
1 320 . 15 1 1 A 34 34 ILE CB C 34 37.645 36.603 1.042 1
1 333 . 15 1 1 A 34 34 ILE C C 34 177.413 174.608 2.805 1
1 334 . 15 1 1 A 35 35 HIS N N 35 117.927 119.191 -1.264 1
1 335 . 15 1 1 A 35 35 HIS H H 35 7.318 8.293 -0.975 1
1 336 . 15 1 1 A 35 35 HIS CA C 35 55.214 57.310 -2.096 1
1 337 . 15 1 1 A 35 35 HIS HA H 35 4.843 4.673 0.170 1
1 338 . 15 1 1 A 35 35 HIS CB C 35 28.625 31.392 -2.767 1
1 345 . 15 1 1 A 35 35 HIS C C 35 175.767 175.932 -0.165 1
1 346 . 15 1 1 A 36 36 THR N N 36 111.953 112.613 -0.660 1
1 347 . 15 1 1 A 36 36 THR H H 36 7.787 7.687 0.100 1
1 348 . 15 1 1 A 36 36 THR CA C 36 62.359 64.890 -2.531 1
1 349 . 15 1 1 A 36 36 THR HA H 36 4.329 4.116 0.213 1
1 350 . 15 1 1 A 36 36 THR CB C 36 69.674 69.585 0.089 1
1 356 . 15 1 1 A 36 36 THR C C 36 175.402 174.726 0.676 1
1 357 . 15 1 1 A 37 37 GLY N N 37 110.854 109.399 1.455 1
1 358 . 15 1 1 A 37 37 GLY H H 37 8.240 7.555 0.685 1
1 359 . 15 1 1 A 37 37 GLY CA C 37 45.374 47.351 -1.977 1
1 360 . 15 1 1 A 37 37 GLY HA2 H 37 3.969 3.873 0.096 1
1 361 . 15 1 1 A 37 37 GLY HA3 H 37 3.969 3.877 0.092 1
1 362 . 15 1 1 A 37 37 GLY C C 37 174.095 173.742 0.353 1
1 363 . 15 1 1 A 38 38 GLU N N 38 120.594 124.960 -4.366 1
1 364 . 15 1 1 A 38 38 GLU H H 38 8.078 8.612 -0.534 1
1 365 . 15 1 1 A 38 38 GLU CA C 38 56.370 56.217 0.153 1
1 366 . 15 1 1 A 38 38 GLU HA H 38 4.216 4.420 -0.204 1
1 367 . 15 1 1 A 38 38 GLU CB C 38 30.465 30.683 -0.218 1
1 373 . 15 1 1 A 38 38 GLU C C 38 176.250 175.835 0.415 1
1 374 . 15 1 1 A 39 39 LYS N N 39 123.816 121.374 2.442 1
1 375 . 15 1 1 A 39 39 LYS H H 39 8.397 9.112 -0.715 1
1 376 . 15 1 1 A 39 39 LYS CA C 39 54.085 53.247 0.838 1
1 377 . 15 1 1 A 39 39 LYS HA H 39 4.574 5.009 -0.435 1
1 378 . 15 1 1 A 39 39 LYS CB C 39 32.412 35.485 -3.073 1
1 385 . 15 1 1 A 39 39 LYS C C 39 174.477 174.456 0.021 1
1 386 . 15 1 1 A 40 40 PRO CA C 40 63.185 62.308 0.877 1
1 387 . 15 1 1 A 40 40 PRO HA H 40 4.439 4.600 -0.161 1
1 388 . 15 1 1 A 40 40 PRO CB C 40 32.140 32.694 -0.554 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.463 45.829 -0.366 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.028 4.167 -0.139 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.028 4.167 -0.139 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.552 173.778 0.774 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.866 111.814 1.052 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.147 7.894 0.253 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.817 59.316 2.501 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.339 5.355 -1.016 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.759 71.320 -1.561 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.264 173.865 1.399 1
1 16 . 16 1 1 A 9 9 GLY N N 9 111.067 109.125 1.942 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.443 8.313 0.130 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.274 45.723 -0.449 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.943 4.144 -0.201 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.943 4.153 -0.210 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.030 173.958 0.072 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.578 124.394 -3.816 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.208 8.702 -0.494 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.472 56.029 0.443 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.219 4.516 -0.297 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.440 30.083 0.357 1
1 31 . 16 1 1 A 10 10 GLU C C 10 176.263 175.128 1.135 1
1 32 . 16 1 1 A 11 11 LYS N N 11 123.011 120.455 2.556 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.294 7.421 0.873 1
1 34 . 16 1 1 A 11 11 LYS CA C 11 53.808 53.636 0.172 1
1 35 . 16 1 1 A 11 11 LYS HA H 11 4.507 4.594 -0.087 1
1 36 . 16 1 1 A 11 11 LYS CB C 11 32.578 35.665 -3.087 1
1 48 . 16 1 1 A 11 11 LYS C C 11 174.019 175.044 -1.025 1
1 49 . 16 1 1 A 12 12 PRO CA C 12 62.899 64.018 -1.119 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.290 4.542 -0.252 1
1 51 . 16 1 1 A 12 12 PRO CB C 12 32.252 31.807 0.445 1
1 60 . 16 1 1 A 12 12 PRO C C 12 176.475 176.096 0.379 1
1 61 . 16 1 1 A 13 13 TYR N N 13 119.889 119.456 0.433 1
1 62 . 16 1 1 A 13 13 TYR H H 13 8.093 7.611 0.482 1
1 63 . 16 1 1 A 13 13 TYR CA C 13 57.162 56.759 0.403 1
1 64 . 16 1 1 A 13 13 TYR HA H 13 4.587 5.312 -0.725 1
1 65 . 16 1 1 A 13 13 TYR CB C 13 38.013 41.192 -3.179 1
1 76 . 16 1 1 A 13 13 TYR C C 13 174.036 174.477 -0.441 1
1 77 . 16 1 1 A 14 14 LYS N N 14 124.683 124.083 0.600 1
1 78 . 16 1 1 A 14 14 LYS H H 14 8.350 8.922 -0.572 1
1 79 . 16 1 1 A 14 14 LYS CA C 14 54.699 55.111 -0.412 1
1 80 . 16 1 1 A 14 14 LYS HA H 14 5.082 5.218 -0.136 1
1 81 . 16 1 1 A 14 14 LYS CB C 14 36.077 36.518 -0.441 1
1 93 . 16 1 1 A 14 14 LYS C C 14 175.154 174.260 0.894 1
1 94 . 16 1 1 A 15 15 CYS N N 15 127.993 124.030 3.963 1
1 95 . 16 1 1 A 15 15 CYS H H 15 9.322 8.927 0.395 1
1 96 . 16 1 1 A 15 15 CYS CA C 15 59.441 59.388 0.053 1
1 97 . 16 1 1 A 15 15 CYS HA H 15 4.526 4.675 -0.149 1
1 98 . 16 1 1 A 15 15 CYS CB C 15 29.639 29.211 0.428 1
1 101 . 16 1 1 A 15 15 CYS C C 15 176.800 175.992 0.808 1
1 102 . 16 1 1 A 16 16 ASN CA C 16 55.581 55.134 0.447 1
1 103 . 16 1 1 A 16 16 ASN HA H 16 4.498 4.623 -0.125 1
1 104 . 16 1 1 A 16 16 ASN CB C 16 38.278 38.489 -0.211 1
1 110 . 16 1 1 A 16 16 ASN C C 16 175.404 177.455 -2.051 1
1 111 . 16 1 1 A 17 17 GLU N N 17 120.838 118.568 2.270 1
1 112 . 16 1 1 A 17 17 GLU H H 17 8.709 7.828 0.881 1
1 113 . 16 1 1 A 17 17 GLU CA C 17 58.732 58.762 -0.030 1
1 114 . 16 1 1 A 17 17 GLU HA H 17 4.180 3.958 0.222 1
1 115 . 16 1 1 A 17 17 GLU CB C 17 29.321 29.295 0.026 1
1 121 . 16 1 1 A 17 17 GLU C C 17 177.142 178.008 -0.866 1
1 122 . 16 1 1 A 18 18 CYS N N 18 114.657 114.881 -0.224 1
1 123 . 16 1 1 A 18 18 CYS H H 18 7.916 7.499 0.417 1
1 124 . 16 1 1 A 18 18 CYS CA C 18 58.276 59.686 -1.410 1
1 125 . 16 1 1 A 18 18 CYS HA H 18 5.140 4.631 0.509 1
1 126 . 16 1 1 A 18 18 CYS CB C 18 32.360 29.815 2.545 1
1 129 . 16 1 1 A 18 18 CYS C C 18 176.225 175.318 0.907 1
1 130 . 16 1 1 A 19 19 GLY N N 19 113.624 109.031 4.593 1
1 131 . 16 1 1 A 19 19 GLY H H 19 8.162 8.307 -0.145 1
1 132 . 16 1 1 A 19 19 GLY CA C 19 46.220 45.586 0.634 1
1 133 . 16 1 1 A 19 19 GLY HA2 H 19 3.703 4.069 -0.366 1
1 134 . 16 1 1 A 19 19 GLY HA3 H 19 4.211 4.085 0.126 1
1 135 . 16 1 1 A 19 19 GLY C C 19 173.525 173.984 -0.459 1
1 136 . 16 1 1 A 20 20 LYS N N 20 122.667 121.431 1.236 1
1 137 . 16 1 1 A 20 20 LYS H H 20 7.889 8.158 -0.269 1
1 138 . 16 1 1 A 20 20 LYS CA C 20 58.257 54.157 4.100 1
1 139 . 16 1 1 A 20 20 LYS HA H 20 3.946 4.741 -0.795 1
1 140 . 16 1 1 A 20 20 LYS CB C 20 33.797 36.281 -2.484 1
1 152 . 16 1 1 A 20 20 LYS C C 20 174.228 174.805 -0.577 1
1 153 . 16 1 1 A 21 21 VAL N N 21 117.585 117.957 -0.372 1
1 154 . 16 1 1 A 21 21 VAL H H 21 7.598 8.590 -0.992 1
1 155 . 16 1 1 A 21 21 VAL CA C 21 60.474 60.083 0.391 1
1 156 . 16 1 1 A 21 21 VAL HA H 21 4.740 5.202 -0.462 1
1 157 . 16 1 1 A 21 21 VAL CB C 21 33.927 33.532 0.395 1
1 167 . 16 1 1 A 21 21 VAL C C 21 175.205 174.323 0.882 1
1 168 . 16 1 1 A 22 22 PHE N N 22 121.649 120.378 1.271 1
1 169 . 16 1 1 A 22 22 PHE H H 22 8.733 8.728 0.005 1
1 170 . 16 1 1 A 22 22 PHE CA C 22 56.779 56.871 -0.092 1
1 171 . 16 1 1 A 22 22 PHE HA H 22 4.897 4.789 0.108 1
1 172 . 16 1 1 A 22 22 PHE CB C 22 43.417 42.854 0.563 1
1 185 . 16 1 1 A 22 22 PHE C C 22 175.652 175.605 0.047 1
1 186 . 16 1 1 A 23 23 THR N N 23 111.274 118.174 -6.900 1
1 187 . 16 1 1 A 23 23 THR H H 23 9.494 8.403 1.091 1
1 188 . 16 1 1 A 23 23 THR CA C 23 63.213 64.903 -1.690 1
1 189 . 16 1 1 A 23 23 THR HA H 23 4.528 4.081 0.447 1
1 190 . 16 1 1 A 23 23 THR CB C 23 69.708 69.385 0.323 1
1 196 . 16 1 1 A 23 23 THR C C 23 174.881 174.082 0.799 1
1 197 . 16 1 1 A 24 24 GLN N N 24 115.450 119.910 -4.460 1
1 198 . 16 1 1 A 24 24 GLN H H 24 7.058 7.413 -0.355 1
1 199 . 16 1 1 A 24 24 GLN CA C 24 53.963 55.052 -1.089 1
1 200 . 16 1 1 A 24 24 GLN HA H 24 4.452 4.507 -0.055 1
1 201 . 16 1 1 A 24 24 GLN CB C 24 31.851 29.791 2.060 1
1 210 . 16 1 1 A 24 24 GLN C C 24 175.682 175.974 -0.292 1
1 211 . 16 1 1 A 25 25 ASN CA C 25 56.596 56.673 -0.077 1
1 212 . 16 1 1 A 25 25 ASN HA H 25 3.560 4.422 -0.862 1
1 213 . 16 1 1 A 25 25 ASN CB C 25 38.675 38.311 0.364 1
1 219 . 16 1 1 A 26 26 SER CA C 26 61.163 61.347 -0.184 1
1 220 . 16 1 1 A 26 26 SER HA H 26 3.881 4.177 -0.296 1
1 221 . 16 1 1 A 26 26 SER CB C 26 61.444 62.542 -1.098 1
1 224 . 16 1 1 A 26 26 SER C C 26 177.103 177.391 -0.288 1
1 225 . 16 1 1 A 27 27 HIS N N 27 120.980 119.032 1.948 1
1 226 . 16 1 1 A 27 27 HIS H H 27 6.699 8.083 -1.384 1
1 227 . 16 1 1 A 27 27 HIS CA C 27 56.939 59.288 -2.349 1
1 228 . 16 1 1 A 27 27 HIS HA H 27 4.344 4.282 0.062 1
1 229 . 16 1 1 A 27 27 HIS CB C 27 31.831 29.879 1.952 1
1 236 . 16 1 1 A 27 27 HIS C C 27 177.849 177.383 0.466 1
1 237 . 16 1 1 A 28 28 LEU N N 28 122.679 120.830 1.849 1
1 238 . 16 1 1 A 28 28 LEU H H 28 6.876 7.525 -0.649 1
1 239 . 16 1 1 A 28 28 LEU CA C 28 57.700 57.864 -0.164 1
1 240 . 16 1 1 A 28 28 LEU HA H 28 3.175 3.148 0.027 1
1 241 . 16 1 1 A 28 28 LEU CB C 28 40.513 42.007 -1.494 1
1 254 . 16 1 1 A 28 28 LEU C C 28 177.396 178.386 -0.990 1
1 255 . 16 1 1 A 29 29 VAL N N 29 119.083 119.617 -0.534 1
1 256 . 16 1 1 A 29 29 VAL H H 29 8.251 7.909 0.342 1
1 257 . 16 1 1 A 29 29 VAL CA C 29 66.791 66.800 -0.009 1
1 258 . 16 1 1 A 29 29 VAL HA H 29 3.372 3.608 -0.236 1
1 259 . 16 1 1 A 29 29 VAL CB C 29 31.749 31.586 0.163 1
1 269 . 16 1 1 A 29 29 VAL C C 29 178.979 178.447 0.532 1
1 270 . 16 1 1 A 30 30 ARG N N 30 118.008 119.714 -1.706 1
1 271 . 16 1 1 A 30 30 ARG H H 30 7.431 7.625 -0.194 1
1 272 . 16 1 1 A 30 30 ARG CA C 30 58.827 59.016 -0.189 1
1 273 . 16 1 1 A 30 30 ARG HA H 30 3.988 3.976 0.012 1
1 274 . 16 1 1 A 30 30 ARG CB C 30 30.154 29.796 0.358 1
1 283 . 16 1 1 A 30 30 ARG C C 30 178.629 178.342 0.287 1
1 284 . 16 1 1 A 31 31 HIS N N 31 119.261 119.061 0.200 1
1 285 . 16 1 1 A 31 31 HIS H H 31 7.645 8.210 -0.565 1
1 286 . 16 1 1 A 31 31 HIS CA C 31 58.859 59.788 -0.929 1
1 287 . 16 1 1 A 31 31 HIS HA H 31 4.182 4.053 0.129 1
1 288 . 16 1 1 A 31 31 HIS CB C 31 28.757 29.532 -0.775 1
1 295 . 16 1 1 A 31 31 HIS C C 31 175.828 176.650 -0.822 1
1 296 . 16 1 1 A 32 32 ARG N N 32 115.529 117.955 -2.426 1
1 297 . 16 1 1 A 32 32 ARG H H 32 8.072 8.203 -0.131 1
1 298 . 16 1 1 A 32 32 ARG CA C 32 59.996 58.260 1.736 1
1 299 . 16 1 1 A 32 32 ARG HA H 32 3.724 3.980 -0.256 1
1 300 . 16 1 1 A 32 32 ARG CB C 32 29.913 30.044 -0.131 1
1 309 . 16 1 1 A 32 32 ARG C C 32 178.047 178.863 -0.816 1
1 310 . 16 1 1 A 33 33 GLY N N 33 105.489 108.765 -3.276 1
1 311 . 16 1 1 A 33 33 GLY H H 33 7.514 8.216 -0.702 1
1 312 . 16 1 1 A 33 33 GLY CA C 33 46.567 47.035 -0.468 1
1 313 . 16 1 1 A 33 33 GLY HA2 H 33 3.988 3.718 0.270 1
1 314 . 16 1 1 A 33 33 GLY HA3 H 33 3.867 3.747 0.120 1
1 315 . 16 1 1 A 33 33 GLY C C 33 175.858 176.015 -0.157 1
1 316 . 16 1 1 A 34 34 ILE N N 34 118.370 120.018 -1.648 1
1 317 . 16 1 1 A 34 34 ILE H H 34 7.808 8.116 -0.308 1
1 318 . 16 1 1 A 34 34 ILE CA C 34 62.704 64.565 -1.861 1
1 319 . 16 1 1 A 34 34 ILE HA H 34 4.015 3.704 0.311 1
1 320 . 16 1 1 A 34 34 ILE CB C 34 37.645 37.278 0.367 1
1 333 . 16 1 1 A 34 34 ILE C C 34 177.413 177.775 -0.362 1
1 334 . 16 1 1 A 35 35 HIS N N 35 117.927 120.080 -2.153 1
1 335 . 16 1 1 A 35 35 HIS H H 35 7.318 7.750 -0.432 1
1 336 . 16 1 1 A 35 35 HIS CA C 35 55.214 59.039 -3.825 1
1 337 . 16 1 1 A 35 35 HIS HA H 35 4.843 4.361 0.482 1
1 338 . 16 1 1 A 35 35 HIS CB C 35 28.625 30.706 -2.081 1
1 345 . 16 1 1 A 35 35 HIS C C 35 175.767 175.311 0.456 1
1 346 . 16 1 1 A 36 36 THR N N 36 111.953 111.271 0.682 1
1 347 . 16 1 1 A 36 36 THR H H 36 7.787 7.660 0.127 1
1 348 . 16 1 1 A 36 36 THR CA C 36 62.359 60.150 2.209 1
1 349 . 16 1 1 A 36 36 THR HA H 36 4.329 4.592 -0.263 1
1 350 . 16 1 1 A 36 36 THR CB C 36 69.674 71.683 -2.009 1
1 356 . 16 1 1 A 36 36 THR C C 36 175.402 173.994 1.408 1
1 357 . 16 1 1 A 37 37 GLY N N 37 110.854 116.560 -5.706 1
1 358 . 16 1 1 A 37 37 GLY H H 37 8.240 8.457 -0.217 1
1 359 . 16 1 1 A 37 37 GLY CA C 37 45.374 44.680 0.694 1
1 360 . 16 1 1 A 37 37 GLY HA2 H 37 3.969 4.048 -0.079 1
1 361 . 16 1 1 A 37 37 GLY HA3 H 37 3.969 4.050 -0.081 1
1 362 . 16 1 1 A 37 37 GLY C C 37 174.095 172.752 1.343 1
1 363 . 16 1 1 A 38 38 GLU N N 38 120.594 118.185 2.409 1
1 364 . 16 1 1 A 38 38 GLU H H 38 8.078 8.504 -0.426 1
1 365 . 16 1 1 A 38 38 GLU CA C 38 56.370 54.341 2.029 1
1 366 . 16 1 1 A 38 38 GLU HA H 38 4.216 4.851 -0.635 1
1 367 . 16 1 1 A 38 38 GLU CB C 38 30.465 33.723 -3.258 1
1 373 . 16 1 1 A 38 38 GLU C C 38 176.250 175.741 0.509 1
1 374 . 16 1 1 A 39 39 LYS N N 39 123.816 119.121 4.695 1
1 375 . 16 1 1 A 39 39 LYS H H 39 8.397 8.697 -0.300 1
1 376 . 16 1 1 A 39 39 LYS CA C 39 54.085 56.806 -2.721 1
1 377 . 16 1 1 A 39 39 LYS HA H 39 4.574 3.714 0.860 1
1 378 . 16 1 1 A 39 39 LYS CB C 39 32.412 30.545 1.867 1
1 385 . 16 1 1 A 39 39 LYS C C 39 174.477 176.780 -2.303 1
1 386 . 16 1 1 A 40 40 PRO CA C 40 63.185 64.210 -1.025 1
1 387 . 16 1 1 A 40 40 PRO HA H 40 4.439 4.465 -0.026 1
1 388 . 16 1 1 A 40 40 PRO CB C 40 32.140 31.912 0.228 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.463 45.761 -0.298 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.028 4.107 -0.079 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.028 4.122 -0.094 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.552 172.590 1.962 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.866 121.324 -8.458 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.147 8.748 -0.601 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.817 62.397 -0.580 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.339 4.599 -0.260 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.759 67.442 2.317 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.264 175.118 0.146 1
1 16 . 17 1 1 A 9 9 GLY N N 9 111.067 116.328 -5.261 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.443 8.150 0.293 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.274 44.678 0.596 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.943 4.087 -0.144 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.943 4.088 -0.145 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.030 173.655 0.375 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.578 121.658 -1.080 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.208 8.639 -0.431 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.472 56.449 0.023 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.219 4.262 -0.043 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.440 29.270 1.170 1
1 31 . 17 1 1 A 10 10 GLU C C 10 176.263 175.822 0.441 1
1 32 . 17 1 1 A 11 11 LYS N N 11 123.011 126.262 -3.251 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.294 8.693 -0.399 1
1 34 . 17 1 1 A 11 11 LYS CA C 11 53.808 54.383 -0.575 1
1 35 . 17 1 1 A 11 11 LYS HA H 11 4.507 4.426 0.081 1
1 36 . 17 1 1 A 11 11 LYS CB C 11 32.578 31.781 0.797 1
1 48 . 17 1 1 A 11 11 LYS C C 11 174.019 176.580 -2.561 1
1 49 . 17 1 1 A 12 12 PRO CA C 12 62.899 64.919 -2.020 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.290 4.523 -0.233 1
1 51 . 17 1 1 A 12 12 PRO CB C 12 32.252 32.236 0.016 1
1 60 . 17 1 1 A 12 12 PRO C C 12 176.475 176.314 0.161 1
1 61 . 17 1 1 A 13 13 TYR N N 13 119.889 117.741 2.148 1
1 62 . 17 1 1 A 13 13 TYR H H 13 8.093 7.993 0.100 1
1 63 . 17 1 1 A 13 13 TYR CA C 13 57.162 56.748 0.414 1
1 64 . 17 1 1 A 13 13 TYR HA H 13 4.587 4.928 -0.341 1
1 65 . 17 1 1 A 13 13 TYR CB C 13 38.013 38.803 -0.790 1
1 76 . 17 1 1 A 13 13 TYR C C 13 174.036 174.315 -0.279 1
1 77 . 17 1 1 A 14 14 LYS N N 14 124.683 125.197 -0.514 1
1 78 . 17 1 1 A 14 14 LYS H H 14 8.350 8.839 -0.489 1
1 79 . 17 1 1 A 14 14 LYS CA C 14 54.699 54.590 0.109 1
1 80 . 17 1 1 A 14 14 LYS HA H 14 5.082 5.302 -0.220 1
1 81 . 17 1 1 A 14 14 LYS CB C 14 36.077 36.454 -0.377 1
1 93 . 17 1 1 A 14 14 LYS C C 14 175.154 175.017 0.137 1
1 94 . 17 1 1 A 15 15 CYS N N 15 127.993 124.724 3.269 1
1 95 . 17 1 1 A 15 15 CYS H H 15 9.322 9.244 0.078 1
1 96 . 17 1 1 A 15 15 CYS CA C 15 59.441 59.300 0.141 1
1 97 . 17 1 1 A 15 15 CYS HA H 15 4.526 4.627 -0.101 1
1 98 . 17 1 1 A 15 15 CYS CB C 15 29.639 28.369 1.270 1
1 101 . 17 1 1 A 15 15 CYS C C 15 176.800 176.026 0.774 1
1 102 . 17 1 1 A 16 16 ASN CA C 16 55.581 55.850 -0.269 1
1 103 . 17 1 1 A 16 16 ASN HA H 16 4.498 4.395 0.103 1
1 104 . 17 1 1 A 16 16 ASN CB C 16 38.278 38.388 -0.110 1
1 110 . 17 1 1 A 16 16 ASN C C 16 175.404 177.146 -1.742 1
1 111 . 17 1 1 A 17 17 GLU N N 17 120.838 118.338 2.500 1
1 112 . 17 1 1 A 17 17 GLU H H 17 8.709 8.275 0.434 1
1 113 . 17 1 1 A 17 17 GLU CA C 17 58.732 58.769 -0.037 1
1 114 . 17 1 1 A 17 17 GLU HA H 17 4.180 3.899 0.281 1
1 115 . 17 1 1 A 17 17 GLU CB C 17 29.321 28.291 1.030 1
1 121 . 17 1 1 A 17 17 GLU C C 17 177.142 178.032 -0.890 1
1 122 . 17 1 1 A 18 18 CYS N N 18 114.657 114.866 -0.209 1
1 123 . 17 1 1 A 18 18 CYS H H 18 7.916 7.924 -0.008 1
1 124 . 17 1 1 A 18 18 CYS CA C 18 58.276 59.746 -1.470 1
1 125 . 17 1 1 A 18 18 CYS HA H 18 5.140 4.708 0.432 1
1 126 . 17 1 1 A 18 18 CYS CB C 18 32.360 29.886 2.474 1
1 129 . 17 1 1 A 18 18 CYS C C 18 176.225 175.477 0.748 1
1 130 . 17 1 1 A 19 19 GLY N N 19 113.624 109.773 3.851 1
1 131 . 17 1 1 A 19 19 GLY H H 19 8.162 8.095 0.067 1
1 132 . 17 1 1 A 19 19 GLY CA C 19 46.220 45.743 0.477 1
1 133 . 17 1 1 A 19 19 GLY HA2 H 19 3.703 4.050 -0.347 1
1 134 . 17 1 1 A 19 19 GLY HA3 H 19 4.211 4.050 0.161 1
1 135 . 17 1 1 A 19 19 GLY C C 19 173.525 174.198 -0.673 1
1 136 . 17 1 1 A 20 20 LYS N N 20 122.667 119.126 3.541 1
1 137 . 17 1 1 A 20 20 LYS H H 20 7.889 7.837 0.052 1
1 138 . 17 1 1 A 20 20 LYS CA C 20 58.257 54.207 4.050 1
1 139 . 17 1 1 A 20 20 LYS HA H 20 3.946 4.628 -0.682 1
1 140 . 17 1 1 A 20 20 LYS CB C 20 33.797 35.065 -1.268 1
1 152 . 17 1 1 A 20 20 LYS C C 20 174.228 175.446 -1.218 1
1 153 . 17 1 1 A 21 21 VAL N N 21 117.585 118.816 -1.231 1
1 154 . 17 1 1 A 21 21 VAL H H 21 7.598 8.661 -1.063 1
1 155 . 17 1 1 A 21 21 VAL CA C 21 60.474 60.035 0.439 1
1 156 . 17 1 1 A 21 21 VAL HA H 21 4.740 4.995 -0.255 1
1 157 . 17 1 1 A 21 21 VAL CB C 21 33.927 33.562 0.365 1
1 167 . 17 1 1 A 21 21 VAL C C 21 175.205 174.418 0.787 1
1 168 . 17 1 1 A 22 22 PHE N N 22 121.649 119.872 1.777 1
1 169 . 17 1 1 A 22 22 PHE H H 22 8.733 8.332 0.401 1
1 170 . 17 1 1 A 22 22 PHE CA C 22 56.779 56.471 0.308 1
1 171 . 17 1 1 A 22 22 PHE HA H 22 4.897 5.007 -0.110 1
1 172 . 17 1 1 A 22 22 PHE CB C 22 43.417 43.585 -0.168 1
1 185 . 17 1 1 A 22 22 PHE C C 22 175.652 175.567 0.085 1
1 186 . 17 1 1 A 23 23 THR N N 23 111.274 114.637 -3.363 1
1 187 . 17 1 1 A 23 23 THR H H 23 9.494 8.686 0.808 1
1 188 . 17 1 1 A 23 23 THR CA C 23 63.213 63.627 -0.414 1
1 189 . 17 1 1 A 23 23 THR HA H 23 4.528 4.270 0.258 1
1 190 . 17 1 1 A 23 23 THR CB C 23 69.708 69.099 0.609 1
1 196 . 17 1 1 A 23 23 THR C C 23 174.881 173.879 1.002 1
1 197 . 17 1 1 A 24 24 GLN N N 24 115.450 120.677 -5.227 1
1 198 . 17 1 1 A 24 24 GLN H H 24 7.058 7.635 -0.577 1
1 199 . 17 1 1 A 24 24 GLN CA C 24 53.963 53.734 0.229 1
1 200 . 17 1 1 A 24 24 GLN HA H 24 4.452 4.449 0.003 1
1 201 . 17 1 1 A 24 24 GLN CB C 24 31.851 30.907 0.944 1
1 210 . 17 1 1 A 24 24 GLN C C 24 175.682 175.878 -0.196 1
1 211 . 17 1 1 A 25 25 ASN CA C 25 56.596 56.917 -0.321 1
1 212 . 17 1 1 A 25 25 ASN HA H 25 3.560 4.588 -1.028 1
1 213 . 17 1 1 A 25 25 ASN CB C 25 38.675 38.462 0.213 1
1 219 . 17 1 1 A 26 26 SER CA C 26 61.163 62.288 -1.125 1
1 220 . 17 1 1 A 26 26 SER HA H 26 3.881 4.125 -0.244 1
1 221 . 17 1 1 A 26 26 SER CB C 26 61.444 63.276 -1.832 1
1 224 . 17 1 1 A 26 26 SER C C 26 177.103 176.674 0.429 1
1 225 . 17 1 1 A 27 27 HIS N N 27 120.980 118.903 2.077 1
1 226 . 17 1 1 A 27 27 HIS H H 27 6.699 7.611 -0.912 1
1 227 . 17 1 1 A 27 27 HIS CA C 27 56.939 59.567 -2.628 1
1 228 . 17 1 1 A 27 27 HIS HA H 27 4.344 4.215 0.129 1
1 229 . 17 1 1 A 27 27 HIS CB C 27 31.831 30.599 1.232 1
1 236 . 17 1 1 A 27 27 HIS C C 27 177.849 177.403 0.446 1
1 237 . 17 1 1 A 28 28 LEU N N 28 122.679 120.878 1.801 1
1 238 . 17 1 1 A 28 28 LEU H H 28 6.876 7.816 -0.940 1
1 239 . 17 1 1 A 28 28 LEU CA C 28 57.700 57.514 0.186 1
1 240 . 17 1 1 A 28 28 LEU HA H 28 3.175 3.339 -0.164 1
1 241 . 17 1 1 A 28 28 LEU CB C 28 40.513 41.908 -1.395 1
1 254 . 17 1 1 A 28 28 LEU C C 28 177.396 177.980 -0.584 1
1 255 . 17 1 1 A 29 29 VAL N N 29 119.083 118.262 0.821 1
1 256 . 17 1 1 A 29 29 VAL H H 29 8.251 8.441 -0.190 1
1 257 . 17 1 1 A 29 29 VAL CA C 29 66.791 65.296 1.495 1
1 258 . 17 1 1 A 29 29 VAL HA H 29 3.372 3.685 -0.313 1
1 259 . 17 1 1 A 29 29 VAL CB C 29 31.749 31.588 0.161 1
1 269 . 17 1 1 A 29 29 VAL C C 29 178.979 177.968 1.011 1
1 270 . 17 1 1 A 30 30 ARG N N 30 118.008 121.552 -3.544 1
1 271 . 17 1 1 A 30 30 ARG H H 30 7.431 7.433 -0.002 1
1 272 . 17 1 1 A 30 30 ARG CA C 30 58.827 59.253 -0.426 1
1 273 . 17 1 1 A 30 30 ARG HA H 30 3.988 3.941 0.047 1
1 274 . 17 1 1 A 30 30 ARG CB C 30 30.154 30.069 0.085 1
1 283 . 17 1 1 A 30 30 ARG C C 30 178.629 178.003 0.626 1
1 284 . 17 1 1 A 31 31 HIS N N 31 119.261 119.555 -0.294 1
1 285 . 17 1 1 A 31 31 HIS H H 31 7.645 7.661 -0.016 1
1 286 . 17 1 1 A 31 31 HIS CA C 31 58.859 59.968 -1.109 1
1 287 . 17 1 1 A 31 31 HIS HA H 31 4.182 4.070 0.112 1
1 288 . 17 1 1 A 31 31 HIS CB C 31 28.757 29.775 -1.018 1
1 295 . 17 1 1 A 31 31 HIS C C 31 175.828 177.267 -1.439 1
1 296 . 17 1 1 A 32 32 ARG N N 32 115.529 118.247 -2.718 1
1 297 . 17 1 1 A 32 32 ARG H H 32 8.072 8.282 -0.210 1
1 298 . 17 1 1 A 32 32 ARG CA C 32 59.996 59.878 0.118 1
1 299 . 17 1 1 A 32 32 ARG HA H 32 3.724 4.118 -0.394 1
1 300 . 17 1 1 A 32 32 ARG CB C 32 29.913 30.201 -0.288 1
1 309 . 17 1 1 A 32 32 ARG C C 32 178.047 179.017 -0.970 1
1 310 . 17 1 1 A 33 33 GLY N N 33 105.489 106.539 -1.050 1
1 311 . 17 1 1 A 33 33 GLY H H 33 7.514 8.535 -1.021 1
1 312 . 17 1 1 A 33 33 GLY CA C 33 46.567 47.345 -0.778 1
1 313 . 17 1 1 A 33 33 GLY HA2 H 33 3.988 3.712 0.276 1
1 314 . 17 1 1 A 33 33 GLY HA3 H 33 3.867 3.739 0.128 1
1 315 . 17 1 1 A 33 33 GLY C C 33 175.858 175.925 -0.067 1
1 316 . 17 1 1 A 34 34 ILE N N 34 118.370 120.278 -1.908 1
1 317 . 17 1 1 A 34 34 ILE H H 34 7.808 8.127 -0.319 1
1 318 . 17 1 1 A 34 34 ILE CA C 34 62.704 64.242 -1.538 1
1 319 . 17 1 1 A 34 34 ILE HA H 34 4.015 3.752 0.263 1
1 320 . 17 1 1 A 34 34 ILE CB C 34 37.645 37.273 0.372 1
1 333 . 17 1 1 A 34 34 ILE C C 34 177.413 177.469 -0.056 1
1 334 . 17 1 1 A 35 35 HIS N N 35 117.927 119.574 -1.647 1
1 335 . 17 1 1 A 35 35 HIS H H 35 7.318 7.688 -0.370 1
1 336 . 17 1 1 A 35 35 HIS CA C 35 55.214 58.178 -2.964 1
1 337 . 17 1 1 A 35 35 HIS HA H 35 4.843 4.436 0.407 1
1 338 . 17 1 1 A 35 35 HIS CB C 35 28.625 30.977 -2.352 1
1 345 . 17 1 1 A 35 35 HIS C C 35 175.767 175.420 0.347 1
1 346 . 17 1 1 A 36 36 THR N N 36 111.953 110.845 1.108 1
1 347 . 17 1 1 A 36 36 THR H H 36 7.787 7.574 0.213 1
1 348 . 17 1 1 A 36 36 THR CA C 36 62.359 59.599 2.760 1
1 349 . 17 1 1 A 36 36 THR HA H 36 4.329 4.647 -0.318 1
1 350 . 17 1 1 A 36 36 THR CB C 36 69.674 71.515 -1.841 1
1 356 . 17 1 1 A 36 36 THR C C 36 175.402 173.498 1.904 1
1 357 . 17 1 1 A 37 37 GLY N N 37 110.854 114.827 -3.973 1
1 358 . 17 1 1 A 37 37 GLY H H 37 8.240 8.561 -0.321 1
1 359 . 17 1 1 A 37 37 GLY CA C 37 45.374 45.284 0.090 1
1 360 . 17 1 1 A 37 37 GLY HA2 H 37 3.969 4.119 -0.150 1
1 361 . 17 1 1 A 37 37 GLY HA3 H 37 3.969 4.124 -0.155 1
1 362 . 17 1 1 A 37 37 GLY C C 37 174.095 174.846 -0.751 1
1 363 . 17 1 1 A 38 38 GLU N N 38 120.594 118.801 1.793 1
1 364 . 17 1 1 A 38 38 GLU H H 38 8.078 8.013 0.065 1
1 365 . 17 1 1 A 38 38 GLU CA C 38 56.370 56.028 0.342 1
1 366 . 17 1 1 A 38 38 GLU HA H 38 4.216 4.552 -0.336 1
1 367 . 17 1 1 A 38 38 GLU CB C 38 30.465 31.140 -0.675 1
1 373 . 17 1 1 A 38 38 GLU C C 38 176.250 175.820 0.430 1
1 374 . 17 1 1 A 39 39 LYS N N 39 123.816 119.721 4.095 1
1 375 . 17 1 1 A 39 39 LYS H H 39 8.397 7.586 0.811 1
1 376 . 17 1 1 A 39 39 LYS CA C 39 54.085 53.648 0.437 1
1 377 . 17 1 1 A 39 39 LYS HA H 39 4.574 4.702 -0.128 1
1 378 . 17 1 1 A 39 39 LYS CB C 39 32.412 35.670 -3.258 1
1 385 . 17 1 1 A 39 39 LYS C C 39 174.477 175.114 -0.637 1
1 386 . 17 1 1 A 40 40 PRO CA C 40 63.185 63.975 -0.790 1
1 387 . 17 1 1 A 40 40 PRO HA H 40 4.439 4.409 0.030 1
1 388 . 17 1 1 A 40 40 PRO CB C 40 32.140 31.913 0.227 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.463 46.202 -0.739 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.028 4.045 -0.017 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.028 4.046 -0.018 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.552 174.148 0.404 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.866 113.184 -0.318 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.147 7.729 0.418 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.817 62.175 -0.358 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.339 4.244 0.095 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.759 68.708 1.051 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.264 174.914 0.350 1
1 16 . 18 1 1 A 9 9 GLY N N 9 111.067 111.821 -0.754 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.443 8.562 -0.119 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.274 44.102 1.172 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.943 4.322 -0.379 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.943 4.325 -0.382 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.030 171.877 2.153 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.578 122.276 -1.698 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.208 8.633 -0.425 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.472 55.090 1.382 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.219 4.733 -0.514 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.440 31.104 -0.664 1
1 31 . 18 1 1 A 10 10 GLU C C 10 176.263 175.895 0.368 1
1 32 . 18 1 1 A 11 11 LYS N N 11 123.011 128.638 -5.627 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.294 8.305 -0.011 1
1 34 . 18 1 1 A 11 11 LYS CA C 11 53.808 54.628 -0.820 1
1 35 . 18 1 1 A 11 11 LYS HA H 11 4.507 4.482 0.025 1
1 36 . 18 1 1 A 11 11 LYS CB C 11 32.578 33.591 -1.013 1
1 48 . 18 1 1 A 11 11 LYS C C 11 174.019 176.449 -2.430 1
1 49 . 18 1 1 A 12 12 PRO CA C 12 62.899 64.629 -1.730 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.290 4.550 -0.260 1
1 51 . 18 1 1 A 12 12 PRO CB C 12 32.252 31.873 0.379 1
1 60 . 18 1 1 A 12 12 PRO C C 12 176.475 176.061 0.414 1
1 61 . 18 1 1 A 13 13 TYR N N 13 119.889 118.629 1.260 1
1 62 . 18 1 1 A 13 13 TYR H H 13 8.093 7.992 0.101 1
1 63 . 18 1 1 A 13 13 TYR CA C 13 57.162 56.836 0.326 1
1 64 . 18 1 1 A 13 13 TYR HA H 13 4.587 4.898 -0.311 1
1 65 . 18 1 1 A 13 13 TYR CB C 13 38.013 38.228 -0.215 1
1 76 . 18 1 1 A 13 13 TYR C C 13 174.036 174.269 -0.233 1
1 77 . 18 1 1 A 14 14 LYS N N 14 124.683 125.612 -0.929 1
1 78 . 18 1 1 A 14 14 LYS H H 14 8.350 8.833 -0.483 1
1 79 . 18 1 1 A 14 14 LYS CA C 14 54.699 54.250 0.449 1
1 80 . 18 1 1 A 14 14 LYS HA H 14 5.082 5.511 -0.429 1
1 81 . 18 1 1 A 14 14 LYS CB C 14 36.077 36.163 -0.086 1
1 93 . 18 1 1 A 14 14 LYS C C 14 175.154 175.500 -0.346 1
1 94 . 18 1 1 A 15 15 CYS N N 15 127.993 124.281 3.712 1
1 95 . 18 1 1 A 15 15 CYS H H 15 9.322 9.321 0.001 1
1 96 . 18 1 1 A 15 15 CYS CA C 15 59.441 59.637 -0.196 1
1 97 . 18 1 1 A 15 15 CYS HA H 15 4.526 4.533 -0.007 1
1 98 . 18 1 1 A 15 15 CYS CB C 15 29.639 28.371 1.268 1
1 101 . 18 1 1 A 15 15 CYS C C 15 176.800 176.043 0.757 1
1 102 . 18 1 1 A 16 16 ASN CA C 16 55.581 52.396 3.185 1
1 103 . 18 1 1 A 16 16 ASN HA H 16 4.498 4.912 -0.414 1
1 104 . 18 1 1 A 16 16 ASN CB C 16 38.278 37.550 0.728 1
1 110 . 18 1 1 A 16 16 ASN C C 16 175.404 176.156 -0.752 1
1 111 . 18 1 1 A 17 17 GLU N N 17 120.838 120.528 0.310 1
1 112 . 18 1 1 A 17 17 GLU H H 17 8.709 8.024 0.685 1
1 113 . 18 1 1 A 17 17 GLU CA C 17 58.732 57.275 1.457 1
1 114 . 18 1 1 A 17 17 GLU HA H 17 4.180 4.557 -0.377 1
1 115 . 18 1 1 A 17 17 GLU CB C 17 29.321 32.224 -2.903 1
1 121 . 18 1 1 A 17 17 GLU C C 17 177.142 177.951 -0.809 1
1 122 . 18 1 1 A 18 18 CYS N N 18 114.657 114.726 -0.069 1
1 123 . 18 1 1 A 18 18 CYS H H 18 7.916 8.126 -0.210 1
1 124 . 18 1 1 A 18 18 CYS CA C 18 58.276 59.649 -1.373 1
1 125 . 18 1 1 A 18 18 CYS HA H 18 5.140 4.791 0.349 1
1 126 . 18 1 1 A 18 18 CYS CB C 18 32.360 30.163 2.197 1
1 129 . 18 1 1 A 18 18 CYS C C 18 176.225 175.521 0.704 1
1 130 . 18 1 1 A 19 19 GLY N N 19 113.624 109.155 4.469 1
1 131 . 18 1 1 A 19 19 GLY H H 19 8.162 8.371 -0.209 1
1 132 . 18 1 1 A 19 19 GLY CA C 19 46.220 45.909 0.311 1
1 133 . 18 1 1 A 19 19 GLY HA2 H 19 3.703 4.063 -0.360 1
1 134 . 18 1 1 A 19 19 GLY HA3 H 19 4.211 4.072 0.139 1
1 135 . 18 1 1 A 19 19 GLY C C 19 173.525 174.107 -0.582 1
1 136 . 18 1 1 A 20 20 LYS N N 20 122.667 120.074 2.593 1
1 137 . 18 1 1 A 20 20 LYS H H 20 7.889 8.076 -0.187 1
1 138 . 18 1 1 A 20 20 LYS CA C 20 58.257 54.292 3.965 1
1 139 . 18 1 1 A 20 20 LYS HA H 20 3.946 4.799 -0.853 1
1 140 . 18 1 1 A 20 20 LYS CB C 20 33.797 36.063 -2.266 1
1 152 . 18 1 1 A 20 20 LYS C C 20 174.228 174.825 -0.597 1
1 153 . 18 1 1 A 21 21 VAL N N 21 117.585 118.419 -0.834 1
1 154 . 18 1 1 A 21 21 VAL H H 21 7.598 8.768 -1.170 1
1 155 . 18 1 1 A 21 21 VAL CA C 21 60.474 60.213 0.261 1
1 156 . 18 1 1 A 21 21 VAL HA H 21 4.740 5.457 -0.717 1
1 157 . 18 1 1 A 21 21 VAL CB C 21 33.927 33.855 0.072 1
1 167 . 18 1 1 A 21 21 VAL C C 21 175.205 174.635 0.570 1
1 168 . 18 1 1 A 22 22 PHE N N 22 121.649 120.404 1.245 1
1 169 . 18 1 1 A 22 22 PHE H H 22 8.733 8.496 0.237 1
1 170 . 18 1 1 A 22 22 PHE CA C 22 56.779 56.408 0.371 1
1 171 . 18 1 1 A 22 22 PHE HA H 22 4.897 4.982 -0.085 1
1 172 . 18 1 1 A 22 22 PHE CB C 22 43.417 43.749 -0.332 1
1 185 . 18 1 1 A 22 22 PHE C C 22 175.652 175.384 0.268 1
1 186 . 18 1 1 A 23 23 THR N N 23 111.274 116.057 -4.783 1
1 187 . 18 1 1 A 23 23 THR H H 23 9.494 8.779 0.715 1
1 188 . 18 1 1 A 23 23 THR CA C 23 63.213 63.565 -0.352 1
1 189 . 18 1 1 A 23 23 THR HA H 23 4.528 4.253 0.275 1
1 190 . 18 1 1 A 23 23 THR CB C 23 69.708 69.951 -0.243 1
1 196 . 18 1 1 A 23 23 THR C C 23 174.881 173.417 1.464 1
1 197 . 18 1 1 A 24 24 GLN N N 24 115.450 119.339 -3.889 1
1 198 . 18 1 1 A 24 24 GLN H H 24 7.058 7.773 -0.715 1
1 199 . 18 1 1 A 24 24 GLN CA C 24 53.963 53.826 0.137 1
1 200 . 18 1 1 A 24 24 GLN HA H 24 4.452 4.632 -0.180 1
1 201 . 18 1 1 A 24 24 GLN CB C 24 31.851 31.453 0.398 1
1 210 . 18 1 1 A 24 24 GLN C C 24 175.682 176.336 -0.654 1
1 211 . 18 1 1 A 25 25 ASN CA C 25 56.596 56.354 0.242 1
1 212 . 18 1 1 A 25 25 ASN HA H 25 3.560 4.691 -1.131 1
1 213 . 18 1 1 A 25 25 ASN CB C 25 38.675 37.788 0.887 1
1 219 . 18 1 1 A 26 26 SER CA C 26 61.163 61.596 -0.433 1
1 220 . 18 1 1 A 26 26 SER HA H 26 3.881 4.291 -0.410 1
1 221 . 18 1 1 A 26 26 SER CB C 26 61.444 62.511 -1.067 1
1 224 . 18 1 1 A 26 26 SER C C 26 177.103 177.075 0.028 1
1 225 . 18 1 1 A 27 27 HIS N N 27 120.980 118.841 2.139 1
1 226 . 18 1 1 A 27 27 HIS H H 27 6.699 7.860 -1.161 1
1 227 . 18 1 1 A 27 27 HIS CA C 27 56.939 59.655 -2.716 1
1 228 . 18 1 1 A 27 27 HIS HA H 27 4.344 4.319 0.025 1
1 229 . 18 1 1 A 27 27 HIS CB C 27 31.831 30.759 1.072 1
1 236 . 18 1 1 A 27 27 HIS C C 27 177.849 177.634 0.215 1
1 237 . 18 1 1 A 28 28 LEU N N 28 122.679 120.377 2.302 1
1 238 . 18 1 1 A 28 28 LEU H H 28 6.876 8.083 -1.207 1
1 239 . 18 1 1 A 28 28 LEU CA C 28 57.700 57.446 0.254 1
1 240 . 18 1 1 A 28 28 LEU HA H 28 3.175 2.589 0.586 1
1 241 . 18 1 1 A 28 28 LEU CB C 28 40.513 41.510 -0.997 1
1 254 . 18 1 1 A 28 28 LEU C C 28 177.396 177.926 -0.530 1
1 255 . 18 1 1 A 29 29 VAL N N 29 119.083 118.255 0.828 1
1 256 . 18 1 1 A 29 29 VAL H H 29 8.251 8.373 -0.122 1
1 257 . 18 1 1 A 29 29 VAL CA C 29 66.791 65.134 1.657 1
1 258 . 18 1 1 A 29 29 VAL HA H 29 3.372 3.658 -0.286 1
1 259 . 18 1 1 A 29 29 VAL CB C 29 31.749 31.259 0.490 1
1 269 . 18 1 1 A 29 29 VAL C C 29 178.979 177.396 1.583 1
1 270 . 18 1 1 A 30 30 ARG N N 30 118.008 122.834 -4.826 1
1 271 . 18 1 1 A 30 30 ARG H H 30 7.431 7.702 -0.271 1
1 272 . 18 1 1 A 30 30 ARG CA C 30 58.827 59.912 -1.085 1
1 273 . 18 1 1 A 30 30 ARG HA H 30 3.988 3.875 0.113 1
1 274 . 18 1 1 A 30 30 ARG CB C 30 30.154 29.864 0.290 1
1 283 . 18 1 1 A 30 30 ARG C C 30 178.629 178.860 -0.231 1
1 284 . 18 1 1 A 31 31 HIS N N 31 119.261 119.595 -0.334 1
1 285 . 18 1 1 A 31 31 HIS H H 31 7.645 7.813 -0.168 1
1 286 . 18 1 1 A 31 31 HIS CA C 31 58.859 59.835 -0.976 1
1 287 . 18 1 1 A 31 31 HIS HA H 31 4.182 4.264 -0.082 1
1 288 . 18 1 1 A 31 31 HIS CB C 31 28.757 29.573 -0.816 1
1 295 . 18 1 1 A 31 31 HIS C C 31 175.828 176.587 -0.759 1
1 296 . 18 1 1 A 32 32 ARG N N 32 115.529 117.257 -1.728 1
1 297 . 18 1 1 A 32 32 ARG H H 32 8.072 8.001 0.071 1
1 298 . 18 1 1 A 32 32 ARG CA C 32 59.996 58.992 1.004 1
1 299 . 18 1 1 A 32 32 ARG HA H 32 3.724 3.860 -0.136 1
1 300 . 18 1 1 A 32 32 ARG CB C 32 29.913 29.750 0.163 1
1 309 . 18 1 1 A 32 32 ARG C C 32 178.047 179.856 -1.809 1
1 310 . 18 1 1 A 33 33 GLY N N 33 105.489 108.576 -3.087 1
1 311 . 18 1 1 A 33 33 GLY H H 33 7.514 8.455 -0.941 1
1 312 . 18 1 1 A 33 33 GLY CA C 33 46.567 47.366 -0.799 1
1 313 . 18 1 1 A 33 33 GLY HA2 H 33 3.988 3.714 0.274 1
1 314 . 18 1 1 A 33 33 GLY HA3 H 33 3.867 3.725 0.142 1
1 315 . 18 1 1 A 33 33 GLY C C 33 175.858 176.080 -0.222 1
1 316 . 18 1 1 A 34 34 ILE N N 34 118.370 120.300 -1.930 1
1 317 . 18 1 1 A 34 34 ILE H H 34 7.808 8.164 -0.356 1
1 318 . 18 1 1 A 34 34 ILE CA C 34 62.704 64.348 -1.644 1
1 319 . 18 1 1 A 34 34 ILE HA H 34 4.015 3.792 0.223 1
1 320 . 18 1 1 A 34 34 ILE CB C 34 37.645 37.452 0.193 1
1 333 . 18 1 1 A 34 34 ILE C C 34 177.413 177.513 -0.100 1
1 334 . 18 1 1 A 35 35 HIS N N 35 117.927 119.500 -1.573 1
1 335 . 18 1 1 A 35 35 HIS H H 35 7.318 7.823 -0.505 1
1 336 . 18 1 1 A 35 35 HIS CA C 35 55.214 58.373 -3.159 1
1 337 . 18 1 1 A 35 35 HIS HA H 35 4.843 4.377 0.466 1
1 338 . 18 1 1 A 35 35 HIS CB C 35 28.625 30.832 -2.207 1
1 345 . 18 1 1 A 35 35 HIS C C 35 175.767 175.521 0.246 1
1 346 . 18 1 1 A 36 36 THR N N 36 111.953 110.599 1.354 1
1 347 . 18 1 1 A 36 36 THR H H 36 7.787 7.863 -0.076 1
1 348 . 18 1 1 A 36 36 THR CA C 36 62.359 59.863 2.496 1
1 349 . 18 1 1 A 36 36 THR HA H 36 4.329 4.591 -0.262 1
1 350 . 18 1 1 A 36 36 THR CB C 36 69.674 71.115 -1.441 1
1 356 . 18 1 1 A 36 36 THR C C 36 175.402 173.583 1.819 1
1 357 . 18 1 1 A 37 37 GLY N N 37 110.854 116.112 -5.258 1
1 358 . 18 1 1 A 37 37 GLY H H 37 8.240 8.645 -0.405 1
1 359 . 18 1 1 A 37 37 GLY CA C 37 45.374 45.512 -0.138 1
1 360 . 18 1 1 A 37 37 GLY HA2 H 37 3.969 4.097 -0.128 1
1 361 . 18 1 1 A 37 37 GLY HA3 H 37 3.969 4.099 -0.130 1
1 362 . 18 1 1 A 37 37 GLY C C 37 174.095 174.213 -0.118 1
1 363 . 18 1 1 A 38 38 GLU N N 38 120.594 121.205 -0.611 1
1 364 . 18 1 1 A 38 38 GLU H H 38 8.078 7.813 0.265 1
1 365 . 18 1 1 A 38 38 GLU CA C 38 56.370 54.927 1.443 1
1 366 . 18 1 1 A 38 38 GLU HA H 38 4.216 4.401 -0.185 1
1 367 . 18 1 1 A 38 38 GLU CB C 38 30.465 30.744 -0.279 1
1 373 . 18 1 1 A 38 38 GLU C C 38 176.250 176.362 -0.112 1
1 374 . 18 1 1 A 39 39 LYS N N 39 123.816 125.653 -1.837 1
1 375 . 18 1 1 A 39 39 LYS H H 39 8.397 8.857 -0.460 1
1 376 . 18 1 1 A 39 39 LYS CA C 39 54.085 57.231 -3.146 1
1 377 . 18 1 1 A 39 39 LYS HA H 39 4.574 3.955 0.619 1
1 378 . 18 1 1 A 39 39 LYS CB C 39 32.412 30.963 1.449 1
1 385 . 18 1 1 A 39 39 LYS C C 39 174.477 175.962 -1.485 1
1 386 . 18 1 1 A 40 40 PRO CA C 40 63.185 62.895 0.290 1
1 387 . 18 1 1 A 40 40 PRO HA H 40 4.439 4.607 -0.168 1
1 388 . 18 1 1 A 40 40 PRO CB C 40 32.140 31.685 0.455 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.463 44.634 0.829 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.028 4.270 -0.242 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.028 4.273 -0.245 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.552 172.230 2.322 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.866 114.857 -1.991 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.147 8.757 -0.610 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.817 59.561 2.256 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.339 5.234 -0.895 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.759 72.048 -2.289 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.264 174.335 0.929 1
1 16 . 19 1 1 A 9 9 GLY N N 9 111.067 109.349 1.718 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.443 8.541 -0.098 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.274 45.613 -0.339 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.943 4.244 -0.301 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.943 4.247 -0.304 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.030 173.936 0.094 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.578 114.029 6.549 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.208 7.996 0.212 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.472 57.282 -0.810 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.219 3.807 0.412 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.440 27.756 2.684 1
1 31 . 19 1 1 A 10 10 GLU C C 10 176.263 174.845 1.418 1
1 32 . 19 1 1 A 11 11 LYS N N 11 123.011 120.207 2.804 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.294 7.712 0.582 1
1 34 . 19 1 1 A 11 11 LYS CA C 11 53.808 53.931 -0.123 1
1 35 . 19 1 1 A 11 11 LYS HA H 11 4.507 4.595 -0.088 1
1 36 . 19 1 1 A 11 11 LYS CB C 11 32.578 33.916 -1.338 1
1 48 . 19 1 1 A 11 11 LYS C C 11 174.019 176.034 -2.015 1
1 49 . 19 1 1 A 12 12 PRO CA C 12 62.899 63.988 -1.089 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.290 4.384 -0.094 1
1 51 . 19 1 1 A 12 12 PRO CB C 12 32.252 31.325 0.927 1
1 60 . 19 1 1 A 12 12 PRO C C 12 176.475 175.619 0.856 1
1 61 . 19 1 1 A 13 13 TYR N N 13 119.889 118.937 0.952 1
1 62 . 19 1 1 A 13 13 TYR H H 13 8.093 7.550 0.543 1
1 63 . 19 1 1 A 13 13 TYR CA C 13 57.162 56.766 0.396 1
1 64 . 19 1 1 A 13 13 TYR HA H 13 4.587 5.262 -0.675 1
1 65 . 19 1 1 A 13 13 TYR CB C 13 38.013 40.481 -2.468 1
1 76 . 19 1 1 A 13 13 TYR C C 13 174.036 174.232 -0.196 1
1 77 . 19 1 1 A 14 14 LYS N N 14 124.683 124.497 0.186 1
1 78 . 19 1 1 A 14 14 LYS H H 14 8.350 8.948 -0.598 1
1 79 . 19 1 1 A 14 14 LYS CA C 14 54.699 54.817 -0.118 1
1 80 . 19 1 1 A 14 14 LYS HA H 14 5.082 4.941 0.141 1
1 81 . 19 1 1 A 14 14 LYS CB C 14 36.077 36.350 -0.273 1
1 93 . 19 1 1 A 14 14 LYS C C 14 175.154 175.550 -0.396 1
1 94 . 19 1 1 A 15 15 CYS N N 15 127.993 125.181 2.812 1
1 95 . 19 1 1 A 15 15 CYS H H 15 9.322 9.138 0.184 1
1 96 . 19 1 1 A 15 15 CYS CA C 15 59.441 60.081 -0.640 1
1 97 . 19 1 1 A 15 15 CYS HA H 15 4.526 4.577 -0.051 1
1 98 . 19 1 1 A 15 15 CYS CB C 15 29.639 28.763 0.876 1
1 101 . 19 1 1 A 15 15 CYS C C 15 176.800 175.622 1.178 1
1 102 . 19 1 1 A 16 16 ASN CA C 16 55.581 53.138 2.443 1
1 103 . 19 1 1 A 16 16 ASN HA H 16 4.498 4.960 -0.462 1
1 104 . 19 1 1 A 16 16 ASN CB C 16 38.278 37.925 0.353 1
1 110 . 19 1 1 A 16 16 ASN C C 16 175.404 175.617 -0.213 1
1 111 . 19 1 1 A 17 17 GLU N N 17 120.838 119.387 1.451 1
1 112 . 19 1 1 A 17 17 GLU H H 17 8.709 8.372 0.337 1
1 113 . 19 1 1 A 17 17 GLU CA C 17 58.732 57.976 0.756 1
1 114 . 19 1 1 A 17 17 GLU HA H 17 4.180 4.597 -0.417 1
1 115 . 19 1 1 A 17 17 GLU CB C 17 29.321 32.213 -2.892 1
1 121 . 19 1 1 A 17 17 GLU C C 17 177.142 177.407 -0.265 1
1 122 . 19 1 1 A 18 18 CYS N N 18 114.657 116.413 -1.756 1
1 123 . 19 1 1 A 18 18 CYS H H 18 7.916 8.232 -0.316 1
1 124 . 19 1 1 A 18 18 CYS CA C 18 58.276 59.776 -1.500 1
1 125 . 19 1 1 A 18 18 CYS HA H 18 5.140 4.647 0.493 1
1 126 . 19 1 1 A 18 18 CYS CB C 18 32.360 29.601 2.759 1
1 129 . 19 1 1 A 18 18 CYS C C 18 176.225 175.415 0.810 1
1 130 . 19 1 1 A 19 19 GLY N N 19 113.624 109.493 4.131 1
1 131 . 19 1 1 A 19 19 GLY H H 19 8.162 8.267 -0.105 1
1 132 . 19 1 1 A 19 19 GLY CA C 19 46.220 45.820 0.400 1
1 133 . 19 1 1 A 19 19 GLY HA2 H 19 3.703 4.063 -0.360 1
1 134 . 19 1 1 A 19 19 GLY HA3 H 19 4.211 4.069 0.142 1
1 135 . 19 1 1 A 19 19 GLY C C 19 173.525 173.980 -0.455 1
1 136 . 19 1 1 A 20 20 LYS N N 20 122.667 119.149 3.518 1
1 137 . 19 1 1 A 20 20 LYS H H 20 7.889 7.761 0.128 1
1 138 . 19 1 1 A 20 20 LYS CA C 20 58.257 54.147 4.110 1
1 139 . 19 1 1 A 20 20 LYS HA H 20 3.946 4.714 -0.768 1
1 140 . 19 1 1 A 20 20 LYS CB C 20 33.797 35.725 -1.928 1
1 152 . 19 1 1 A 20 20 LYS C C 20 174.228 174.668 -0.440 1
1 153 . 19 1 1 A 21 21 VAL N N 21 117.585 118.357 -0.772 1
1 154 . 19 1 1 A 21 21 VAL H H 21 7.598 8.747 -1.149 1
1 155 . 19 1 1 A 21 21 VAL CA C 21 60.474 60.068 0.406 1
1 156 . 19 1 1 A 21 21 VAL HA H 21 4.740 5.275 -0.535 1
1 157 . 19 1 1 A 21 21 VAL CB C 21 33.927 33.788 0.139 1
1 167 . 19 1 1 A 21 21 VAL C C 21 175.205 174.340 0.865 1
1 168 . 19 1 1 A 22 22 PHE N N 22 121.649 120.270 1.379 1
1 169 . 19 1 1 A 22 22 PHE H H 22 8.733 8.508 0.225 1
1 170 . 19 1 1 A 22 22 PHE CA C 22 56.779 56.701 0.078 1
1 171 . 19 1 1 A 22 22 PHE HA H 22 4.897 4.946 -0.049 1
1 172 . 19 1 1 A 22 22 PHE CB C 22 43.417 41.755 1.662 1
1 185 . 19 1 1 A 22 22 PHE C C 22 175.652 175.854 -0.202 1
1 186 . 19 1 1 A 23 23 THR N N 23 111.274 118.945 -7.671 1
1 187 . 19 1 1 A 23 23 THR H H 23 9.494 8.632 0.862 1
1 188 . 19 1 1 A 23 23 THR CA C 23 63.213 64.425 -1.212 1
1 189 . 19 1 1 A 23 23 THR HA H 23 4.528 4.132 0.396 1
1 190 . 19 1 1 A 23 23 THR CB C 23 69.708 69.249 0.459 1
1 196 . 19 1 1 A 23 23 THR C C 23 174.881 173.545 1.336 1
1 197 . 19 1 1 A 24 24 GLN N N 24 115.450 118.254 -2.804 1
1 198 . 19 1 1 A 24 24 GLN H H 24 7.058 7.547 -0.489 1
1 199 . 19 1 1 A 24 24 GLN CA C 24 53.963 54.166 -0.203 1
1 200 . 19 1 1 A 24 24 GLN HA H 24 4.452 4.487 -0.035 1
1 201 . 19 1 1 A 24 24 GLN CB C 24 31.851 31.380 0.471 1
1 210 . 19 1 1 A 24 24 GLN C C 24 175.682 175.359 0.323 1
1 211 . 19 1 1 A 25 25 ASN CA C 25 56.596 56.667 -0.071 1
1 212 . 19 1 1 A 25 25 ASN HA H 25 3.560 3.869 -0.309 1
1 213 . 19 1 1 A 25 25 ASN CB C 25 38.675 38.760 -0.085 1
1 219 . 19 1 1 A 26 26 SER CA C 26 61.163 61.334 -0.171 1
1 220 . 19 1 1 A 26 26 SER HA H 26 3.881 4.222 -0.341 1
1 221 . 19 1 1 A 26 26 SER CB C 26 61.444 62.758 -1.314 1
1 224 . 19 1 1 A 26 26 SER C C 26 177.103 176.836 0.267 1
1 225 . 19 1 1 A 27 27 HIS N N 27 120.980 118.799 2.181 1
1 226 . 19 1 1 A 27 27 HIS H H 27 6.699 7.654 -0.955 1
1 227 . 19 1 1 A 27 27 HIS CA C 27 56.939 59.255 -2.316 1
1 228 . 19 1 1 A 27 27 HIS HA H 27 4.344 4.155 0.189 1
1 229 . 19 1 1 A 27 27 HIS CB C 27 31.831 30.474 1.357 1
1 236 . 19 1 1 A 27 27 HIS C C 27 177.849 177.313 0.536 1
1 237 . 19 1 1 A 28 28 LEU N N 28 122.679 120.466 2.213 1
1 238 . 19 1 1 A 28 28 LEU H H 28 6.876 8.030 -1.154 1
1 239 . 19 1 1 A 28 28 LEU CA C 28 57.700 57.447 0.253 1
1 240 . 19 1 1 A 28 28 LEU HA H 28 3.175 3.141 0.034 1
1 241 . 19 1 1 A 28 28 LEU CB C 28 40.513 41.837 -1.324 1
1 254 . 19 1 1 A 28 28 LEU C C 28 177.396 178.007 -0.611 1
1 255 . 19 1 1 A 29 29 VAL N N 29 119.083 118.515 0.568 1
1 256 . 19 1 1 A 29 29 VAL H H 29 8.251 8.005 0.246 1
1 257 . 19 1 1 A 29 29 VAL CA C 29 66.791 65.329 1.462 1
1 258 . 19 1 1 A 29 29 VAL HA H 29 3.372 3.712 -0.340 1
1 259 . 19 1 1 A 29 29 VAL CB C 29 31.749 31.563 0.186 1
1 269 . 19 1 1 A 29 29 VAL C C 29 178.979 178.092 0.887 1
1 270 . 19 1 1 A 30 30 ARG N N 30 118.008 121.764 -3.756 1
1 271 . 19 1 1 A 30 30 ARG H H 30 7.431 7.493 -0.062 1
1 272 . 19 1 1 A 30 30 ARG CA C 30 58.827 59.209 -0.382 1
1 273 . 19 1 1 A 30 30 ARG HA H 30 3.988 3.894 0.094 1
1 274 . 19 1 1 A 30 30 ARG CB C 30 30.154 29.729 0.425 1
1 283 . 19 1 1 A 30 30 ARG C C 30 178.629 178.058 0.571 1
1 284 . 19 1 1 A 31 31 HIS N N 31 119.261 119.186 0.075 1
1 285 . 19 1 1 A 31 31 HIS H H 31 7.645 7.583 0.062 1
1 286 . 19 1 1 A 31 31 HIS CA C 31 58.859 59.807 -0.948 1
1 287 . 19 1 1 A 31 31 HIS HA H 31 4.182 4.077 0.105 1
1 288 . 19 1 1 A 31 31 HIS CB C 31 28.757 29.522 -0.765 1
1 295 . 19 1 1 A 31 31 HIS C C 31 175.828 176.463 -0.635 1
1 296 . 19 1 1 A 32 32 ARG N N 32 115.529 117.024 -1.495 1
1 297 . 19 1 1 A 32 32 ARG H H 32 8.072 8.274 -0.202 1
1 298 . 19 1 1 A 32 32 ARG CA C 32 59.996 59.056 0.940 1
1 299 . 19 1 1 A 32 32 ARG HA H 32 3.724 3.978 -0.254 1
1 300 . 19 1 1 A 32 32 ARG CB C 32 29.913 29.931 -0.018 1
1 309 . 19 1 1 A 32 32 ARG C C 32 178.047 179.728 -1.681 1
1 310 . 19 1 1 A 33 33 GLY N N 33 105.489 108.322 -2.833 1
1 311 . 19 1 1 A 33 33 GLY H H 33 7.514 8.519 -1.005 1
1 312 . 19 1 1 A 33 33 GLY CA C 33 46.567 47.191 -0.624 1
1 313 . 19 1 1 A 33 33 GLY HA2 H 33 3.988 3.686 0.302 1
1 314 . 19 1 1 A 33 33 GLY HA3 H 33 3.867 3.716 0.151 1
1 315 . 19 1 1 A 33 33 GLY C C 33 175.858 175.989 -0.131 1
1 316 . 19 1 1 A 34 34 ILE N N 34 118.370 119.677 -1.307 1
1 317 . 19 1 1 A 34 34 ILE H H 34 7.808 8.158 -0.350 1
1 318 . 19 1 1 A 34 34 ILE CA C 34 62.704 63.957 -1.253 1
1 319 . 19 1 1 A 34 34 ILE HA H 34 4.015 3.794 0.221 1
1 320 . 19 1 1 A 34 34 ILE CB C 34 37.645 37.274 0.371 1
1 333 . 19 1 1 A 34 34 ILE C C 34 177.413 176.666 0.747 1
1 334 . 19 1 1 A 35 35 HIS N N 35 117.927 119.610 -1.683 1
1 335 . 19 1 1 A 35 35 HIS H H 35 7.318 7.777 -0.459 1
1 336 . 19 1 1 A 35 35 HIS CA C 35 55.214 54.364 0.850 1
1 337 . 19 1 1 A 35 35 HIS HA H 35 4.843 4.616 0.227 1
1 338 . 19 1 1 A 35 35 HIS CB C 35 28.625 27.323 1.302 1
1 345 . 19 1 1 A 35 35 HIS C C 35 175.767 173.686 2.081 1
1 346 . 19 1 1 A 36 36 THR N N 36 111.953 111.074 0.879 1
1 347 . 19 1 1 A 36 36 THR H H 36 7.787 7.410 0.377 1
1 348 . 19 1 1 A 36 36 THR CA C 36 62.359 60.849 1.510 1
1 349 . 19 1 1 A 36 36 THR HA H 36 4.329 5.024 -0.695 1
1 350 . 19 1 1 A 36 36 THR CB C 36 69.674 70.968 -1.294 1
1 356 . 19 1 1 A 36 36 THR C C 36 175.402 173.467 1.935 1
1 357 . 19 1 1 A 37 37 GLY N N 37 110.854 111.836 -0.982 1
1 358 . 19 1 1 A 37 37 GLY H H 37 8.240 8.750 -0.510 1
1 359 . 19 1 1 A 37 37 GLY CA C 37 45.374 45.885 -0.511 1
1 360 . 19 1 1 A 37 37 GLY HA2 H 37 3.969 3.989 -0.020 1
1 361 . 19 1 1 A 37 37 GLY HA3 H 37 3.969 3.991 -0.022 1
1 362 . 19 1 1 A 37 37 GLY C C 37 174.095 174.240 -0.145 1
1 363 . 19 1 1 A 38 38 GLU N N 38 120.594 125.170 -4.576 1
1 364 . 19 1 1 A 38 38 GLU H H 38 8.078 8.888 -0.810 1
1 365 . 19 1 1 A 38 38 GLU CA C 38 56.370 55.117 1.253 1
1 366 . 19 1 1 A 38 38 GLU HA H 38 4.216 4.520 -0.304 1
1 367 . 19 1 1 A 38 38 GLU CB C 38 30.465 29.343 1.122 1
1 373 . 19 1 1 A 38 38 GLU C C 38 176.250 175.977 0.273 1
1 374 . 19 1 1 A 39 39 LYS N N 39 123.816 115.491 8.325 1
1 375 . 19 1 1 A 39 39 LYS H H 39 8.397 7.991 0.406 1
1 376 . 19 1 1 A 39 39 LYS CA C 39 54.085 56.875 -2.790 1
1 377 . 19 1 1 A 39 39 LYS HA H 39 4.574 3.871 0.703 1
1 378 . 19 1 1 A 39 39 LYS CB C 39 32.412 30.250 2.162 1
1 385 . 19 1 1 A 39 39 LYS C C 39 174.477 174.838 -0.361 1
1 386 . 19 1 1 A 40 40 PRO CA C 40 63.185 62.746 0.439 1
1 387 . 19 1 1 A 40 40 PRO HA H 40 4.439 4.506 -0.067 1
1 388 . 19 1 1 A 40 40 PRO CB C 40 32.140 31.572 0.568 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.463 45.960 -0.497 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.028 4.028 0.000 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.028 4.032 -0.004 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.552 174.653 -0.101 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.866 115.463 -2.597 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.147 7.689 0.458 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.817 64.843 -3.026 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.339 4.101 0.238 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.759 68.607 1.152 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.264 175.142 0.122 1
1 16 . 20 1 1 A 9 9 GLY N N 9 111.067 111.781 -0.714 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.443 8.635 -0.192 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.274 44.581 0.693 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.943 4.173 -0.230 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.943 4.179 -0.236 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.030 172.954 1.076 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.578 119.610 0.968 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.208 8.544 -0.336 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.472 54.815 1.657 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.219 5.094 -0.875 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.440 32.593 -2.153 1
1 31 . 20 1 1 A 10 10 GLU C C 10 176.263 174.357 1.906 1
1 32 . 20 1 1 A 11 11 LYS N N 11 123.011 123.648 -0.637 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.294 8.672 -0.378 1
1 34 . 20 1 1 A 11 11 LYS CA C 11 53.808 52.535 1.273 1
1 35 . 20 1 1 A 11 11 LYS HA H 11 4.507 4.842 -0.335 1
1 36 . 20 1 1 A 11 11 LYS CB C 11 32.578 36.369 -3.791 1
1 48 . 20 1 1 A 11 11 LYS C C 11 174.019 175.740 -1.721 1
1 49 . 20 1 1 A 12 12 PRO CA C 12 62.899 64.682 -1.783 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.290 4.538 -0.248 1
1 51 . 20 1 1 A 12 12 PRO CB C 12 32.252 32.176 0.076 1
1 60 . 20 1 1 A 12 12 PRO C C 12 176.475 176.145 0.330 1
1 61 . 20 1 1 A 13 13 TYR N N 13 119.889 117.724 2.165 1
1 62 . 20 1 1 A 13 13 TYR H H 13 8.093 8.060 0.033 1
1 63 . 20 1 1 A 13 13 TYR CA C 13 57.162 56.964 0.198 1
1 64 . 20 1 1 A 13 13 TYR HA H 13 4.587 4.866 -0.279 1
1 65 . 20 1 1 A 13 13 TYR CB C 13 38.013 38.035 -0.022 1
1 76 . 20 1 1 A 13 13 TYR C C 13 174.036 174.175 -0.139 1
1 77 . 20 1 1 A 14 14 LYS N N 14 124.683 125.488 -0.805 1
1 78 . 20 1 1 A 14 14 LYS H H 14 8.350 8.815 -0.465 1
1 79 . 20 1 1 A 14 14 LYS CA C 14 54.699 54.523 0.176 1
1 80 . 20 1 1 A 14 14 LYS HA H 14 5.082 5.144 -0.062 1
1 81 . 20 1 1 A 14 14 LYS CB C 14 36.077 36.004 0.073 1
1 93 . 20 1 1 A 14 14 LYS C C 14 175.154 175.606 -0.452 1
1 94 . 20 1 1 A 15 15 CYS N N 15 127.993 124.993 3.000 1
1 95 . 20 1 1 A 15 15 CYS H H 15 9.322 9.115 0.207 1
1 96 . 20 1 1 A 15 15 CYS CA C 15 59.441 59.977 -0.536 1
1 97 . 20 1 1 A 15 15 CYS HA H 15 4.526 4.466 0.060 1
1 98 . 20 1 1 A 15 15 CYS CB C 15 29.639 28.948 0.691 1
1 101 . 20 1 1 A 15 15 CYS C C 15 176.800 176.302 0.498 1
1 102 . 20 1 1 A 16 16 ASN CA C 16 55.581 55.613 -0.032 1
1 103 . 20 1 1 A 16 16 ASN HA H 16 4.498 4.475 0.023 1
1 104 . 20 1 1 A 16 16 ASN CB C 16 38.278 38.469 -0.191 1
1 110 . 20 1 1 A 16 16 ASN C C 16 175.404 176.909 -1.505 1
1 111 . 20 1 1 A 17 17 GLU N N 17 120.838 118.458 2.380 1
1 112 . 20 1 1 A 17 17 GLU H H 17 8.709 7.770 0.939 1
1 113 . 20 1 1 A 17 17 GLU CA C 17 58.732 58.714 0.018 1
1 114 . 20 1 1 A 17 17 GLU HA H 17 4.180 3.908 0.272 1
1 115 . 20 1 1 A 17 17 GLU CB C 17 29.321 28.638 0.683 1
1 121 . 20 1 1 A 17 17 GLU C C 17 177.142 178.041 -0.899 1
1 122 . 20 1 1 A 18 18 CYS N N 18 114.657 115.011 -0.354 1
1 123 . 20 1 1 A 18 18 CYS H H 18 7.916 7.915 0.001 1
1 124 . 20 1 1 A 18 18 CYS CA C 18 58.276 59.773 -1.497 1
1 125 . 20 1 1 A 18 18 CYS HA H 18 5.140 4.745 0.395 1
1 126 . 20 1 1 A 18 18 CYS CB C 18 32.360 29.942 2.418 1
1 129 . 20 1 1 A 18 18 CYS C C 18 176.225 175.449 0.776 1
1 130 . 20 1 1 A 19 19 GLY N N 19 113.624 109.892 3.732 1
1 131 . 20 1 1 A 19 19 GLY H H 19 8.162 8.101 0.061 1
1 132 . 20 1 1 A 19 19 GLY CA C 19 46.220 45.138 1.082 1
1 133 . 20 1 1 A 19 19 GLY HA2 H 19 3.703 4.080 -0.377 1
1 134 . 20 1 1 A 19 19 GLY HA3 H 19 4.211 4.082 0.129 1
1 135 . 20 1 1 A 19 19 GLY C C 19 173.525 174.196 -0.671 1
1 136 . 20 1 1 A 20 20 LYS N N 20 122.667 121.470 1.197 1
1 137 . 20 1 1 A 20 20 LYS H H 20 7.889 7.881 0.008 1
1 138 . 20 1 1 A 20 20 LYS CA C 20 58.257 54.823 3.434 1
1 139 . 20 1 1 A 20 20 LYS HA H 20 3.946 4.538 -0.592 1
1 140 . 20 1 1 A 20 20 LYS CB C 20 33.797 33.924 -0.127 1
1 152 . 20 1 1 A 20 20 LYS C C 20 174.228 175.739 -1.511 1
1 153 . 20 1 1 A 21 21 VAL N N 21 117.585 121.771 -4.186 1
1 154 . 20 1 1 A 21 21 VAL H H 21 7.598 8.578 -0.980 1
1 155 . 20 1 1 A 21 21 VAL CA C 21 60.474 60.196 0.278 1
1 156 . 20 1 1 A 21 21 VAL HA H 21 4.740 5.223 -0.483 1
1 157 . 20 1 1 A 21 21 VAL CB C 21 33.927 33.407 0.520 1
1 167 . 20 1 1 A 21 21 VAL C C 21 175.205 174.485 0.720 1
1 168 . 20 1 1 A 22 22 PHE N N 22 121.649 120.986 0.663 1
1 169 . 20 1 1 A 22 22 PHE H H 22 8.733 8.500 0.233 1
1 170 . 20 1 1 A 22 22 PHE CA C 22 56.779 56.548 0.231 1
1 171 . 20 1 1 A 22 22 PHE HA H 22 4.897 4.873 0.024 1
1 172 . 20 1 1 A 22 22 PHE CB C 22 43.417 43.559 -0.142 1
1 185 . 20 1 1 A 22 22 PHE C C 22 175.652 175.494 0.158 1
1 186 . 20 1 1 A 23 23 THR N N 23 111.274 116.605 -5.331 1
1 187 . 20 1 1 A 23 23 THR H H 23 9.494 8.515 0.979 1
1 188 . 20 1 1 A 23 23 THR CA C 23 63.213 63.970 -0.757 1
1 189 . 20 1 1 A 23 23 THR HA H 23 4.528 4.184 0.344 1
1 190 . 20 1 1 A 23 23 THR CB C 23 69.708 69.849 -0.141 1
1 196 . 20 1 1 A 23 23 THR C C 23 174.881 173.955 0.926 1
1 197 . 20 1 1 A 24 24 GLN N N 24 115.450 118.247 -2.797 1
1 198 . 20 1 1 A 24 24 GLN H H 24 7.058 7.682 -0.624 1
1 199 . 20 1 1 A 24 24 GLN CA C 24 53.963 54.239 -0.276 1
1 200 . 20 1 1 A 24 24 GLN HA H 24 4.452 4.570 -0.118 1
1 201 . 20 1 1 A 24 24 GLN CB C 24 31.851 31.083 0.768 1
1 210 . 20 1 1 A 24 24 GLN C C 24 175.682 176.170 -0.488 1
1 211 . 20 1 1 A 25 25 ASN CA C 25 56.596 56.163 0.433 1
1 212 . 20 1 1 A 25 25 ASN HA H 25 3.560 4.540 -0.980 1
1 213 . 20 1 1 A 25 25 ASN CB C 25 38.675 37.674 1.001 1
1 219 . 20 1 1 A 26 26 SER CA C 26 61.163 61.763 -0.600 1
1 220 . 20 1 1 A 26 26 SER HA H 26 3.881 4.094 -0.213 1
1 221 . 20 1 1 A 26 26 SER CB C 26 61.444 63.168 -1.724 1
1 224 . 20 1 1 A 26 26 SER C C 26 177.103 176.945 0.158 1
1 225 . 20 1 1 A 27 27 HIS N N 27 120.980 119.130 1.850 1
1 226 . 20 1 1 A 27 27 HIS H H 27 6.699 7.790 -1.091 1
1 227 . 20 1 1 A 27 27 HIS CA C 27 56.939 59.031 -2.092 1
1 228 . 20 1 1 A 27 27 HIS HA H 27 4.344 4.211 0.133 1
1 229 . 20 1 1 A 27 27 HIS CB C 27 31.831 29.828 2.003 1
1 236 . 20 1 1 A 27 27 HIS C C 27 177.849 177.052 0.797 1
1 237 . 20 1 1 A 28 28 LEU N N 28 122.679 120.461 2.218 1
1 238 . 20 1 1 A 28 28 LEU H H 28 6.876 7.519 -0.643 1
1 239 . 20 1 1 A 28 28 LEU CA C 28 57.700 57.910 -0.210 1
1 240 . 20 1 1 A 28 28 LEU HA H 28 3.175 2.796 0.379 1
1 241 . 20 1 1 A 28 28 LEU CB C 28 40.513 41.438 -0.925 1
1 254 . 20 1 1 A 28 28 LEU C C 28 177.396 178.400 -1.004 1
1 255 . 20 1 1 A 29 29 VAL N N 29 119.083 119.303 -0.220 1
1 256 . 20 1 1 A 29 29 VAL H H 29 8.251 8.259 -0.008 1
1 257 . 20 1 1 A 29 29 VAL CA C 29 66.791 67.220 -0.429 1
1 258 . 20 1 1 A 29 29 VAL HA H 29 3.372 3.470 -0.098 1
1 259 . 20 1 1 A 29 29 VAL CB C 29 31.749 31.497 0.252 1
1 269 . 20 1 1 A 29 29 VAL C C 29 178.979 178.128 0.851 1
1 270 . 20 1 1 A 30 30 ARG N N 30 118.008 119.951 -1.943 1
1 271 . 20 1 1 A 30 30 ARG H H 30 7.431 7.676 -0.245 1
1 272 . 20 1 1 A 30 30 ARG CA C 30 58.827 59.204 -0.377 1
1 273 . 20 1 1 A 30 30 ARG HA H 30 3.988 3.877 0.111 1
1 274 . 20 1 1 A 30 30 ARG CB C 30 30.154 29.794 0.360 1
1 283 . 20 1 1 A 30 30 ARG C C 30 178.629 178.114 0.515 1
1 284 . 20 1 1 A 31 31 HIS N N 31 119.261 119.280 -0.019 1
1 285 . 20 1 1 A 31 31 HIS H H 31 7.645 8.139 -0.494 1
1 286 . 20 1 1 A 31 31 HIS CA C 31 58.859 59.883 -1.024 1
1 287 . 20 1 1 A 31 31 HIS HA H 31 4.182 4.139 0.043 1
1 288 . 20 1 1 A 31 31 HIS CB C 31 28.757 29.550 -0.793 1
1 295 . 20 1 1 A 31 31 HIS C C 31 175.828 176.443 -0.615 1
1 296 . 20 1 1 A 32 32 ARG N N 32 115.529 117.347 -1.818 1
1 297 . 20 1 1 A 32 32 ARG H H 32 8.072 8.312 -0.240 1
1 298 . 20 1 1 A 32 32 ARG CA C 32 59.996 59.019 0.977 1
1 299 . 20 1 1 A 32 32 ARG HA H 32 3.724 4.124 -0.400 1
1 300 . 20 1 1 A 32 32 ARG CB C 32 29.913 29.979 -0.066 1
1 309 . 20 1 1 A 32 32 ARG C C 32 178.047 179.756 -1.709 1
1 310 . 20 1 1 A 33 33 GLY N N 33 105.489 108.421 -2.932 1
1 311 . 20 1 1 A 33 33 GLY H H 33 7.514 8.809 -1.295 1
1 312 . 20 1 1 A 33 33 GLY CA C 33 46.567 47.209 -0.642 1
1 313 . 20 1 1 A 33 33 GLY HA2 H 33 3.988 3.700 0.288 1
1 314 . 20 1 1 A 33 33 GLY HA3 H 33 3.867 3.723 0.144 1
1 315 . 20 1 1 A 33 33 GLY C C 33 175.858 176.059 -0.201 1
1 316 . 20 1 1 A 34 34 ILE N N 34 118.370 119.670 -1.300 1
1 317 . 20 1 1 A 34 34 ILE H H 34 7.808 7.949 -0.141 1
1 318 . 20 1 1 A 34 34 ILE CA C 34 62.704 64.261 -1.557 1
1 319 . 20 1 1 A 34 34 ILE HA H 34 4.015 3.730 0.285 1
1 320 . 20 1 1 A 34 34 ILE CB C 34 37.645 37.247 0.398 1
1 333 . 20 1 1 A 34 34 ILE C C 34 177.413 176.679 0.734 1
1 334 . 20 1 1 A 35 35 HIS N N 35 117.927 119.319 -1.392 1
1 335 . 20 1 1 A 35 35 HIS H H 35 7.318 7.756 -0.438 1
1 336 . 20 1 1 A 35 35 HIS CA C 35 55.214 54.987 0.227 1
1 337 . 20 1 1 A 35 35 HIS HA H 35 4.843 4.651 0.192 1
1 338 . 20 1 1 A 35 35 HIS CB C 35 28.625 28.341 0.284 1
1 345 . 20 1 1 A 35 35 HIS C C 35 175.767 174.260 1.507 1
1 346 . 20 1 1 A 36 36 THR N N 36 111.953 114.436 -2.483 1
1 347 . 20 1 1 A 36 36 THR H H 36 7.787 7.552 0.235 1
1 348 . 20 1 1 A 36 36 THR CA C 36 62.359 60.645 1.714 1
1 349 . 20 1 1 A 36 36 THR HA H 36 4.329 4.552 -0.223 1
1 350 . 20 1 1 A 36 36 THR CB C 36 69.674 71.215 -1.541 1
1 356 . 20 1 1 A 36 36 THR C C 36 175.402 173.071 2.331 1
1 357 . 20 1 1 A 37 37 GLY N N 37 110.854 112.572 -1.718 1
1 358 . 20 1 1 A 37 37 GLY H H 37 8.240 8.326 -0.086 1
1 359 . 20 1 1 A 37 37 GLY CA C 37 45.374 43.965 1.409 1
1 360 . 20 1 1 A 37 37 GLY HA2 H 37 3.969 4.100 -0.131 1
1 361 . 20 1 1 A 37 37 GLY HA3 H 37 3.969 4.106 -0.137 1
1 362 . 20 1 1 A 37 37 GLY C C 37 174.095 173.152 0.943 1
1 363 . 20 1 1 A 38 38 GLU N N 38 120.594 121.168 -0.574 1
1 364 . 20 1 1 A 38 38 GLU H H 38 8.078 8.557 -0.479 1
1 365 . 20 1 1 A 38 38 GLU CA C 38 56.370 58.028 -1.658 1
1 366 . 20 1 1 A 38 38 GLU HA H 38 4.216 3.931 0.285 1
1 367 . 20 1 1 A 38 38 GLU CB C 38 30.465 29.557 0.908 1
1 373 . 20 1 1 A 38 38 GLU C C 38 176.250 177.408 -1.158 1
1 374 . 20 1 1 A 39 39 LYS N N 39 123.816 123.266 0.550 1
1 375 . 20 1 1 A 39 39 LYS H H 39 8.397 8.848 -0.451 1
1 376 . 20 1 1 A 39 39 LYS CA C 39 54.085 57.290 -3.205 1
1 377 . 20 1 1 A 39 39 LYS HA H 39 4.574 3.944 0.630 1
1 378 . 20 1 1 A 39 39 LYS CB C 39 32.412 31.020 1.392 1
1 385 . 20 1 1 A 39 39 LYS C C 39 174.477 175.619 -1.142 1
1 386 . 20 1 1 A 40 40 PRO CA C 40 63.185 62.438 0.747 1
1 387 . 20 1 1 A 40 40 PRO HA H 40 4.439 4.577 -0.138 1
1 388 . 20 1 1 A 40 40 PRO CB C 40 32.140 32.319 -0.179 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 32 0.953 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.387 1
3 1 1 1 "RMS(OBS, PRED)" CB 29 1.235 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.593 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.368 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.929 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.949 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.370 1
9 1 2 1 "RMS(OBS, PRED)" CB 29 1.237 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.567 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.330 1
12 1 2 1 "RMS(OBS, PRED)" N 28 2.448 1
13 1 3 1 "RMS(OBS, PRED)" C 32 0.908 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.434 1
15 1 3 1 "RMS(OBS, PRED)" CB 29 1.259 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.591 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.320 1
18 1 3 1 "RMS(OBS, PRED)" N 28 2.420 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.089 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.663 1
21 1 4 1 "RMS(OBS, PRED)" CB 29 1.328 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.546 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.310 1
24 1 4 1 "RMS(OBS, PRED)" N 28 2.958 1
25 1 5 1 "RMS(OBS, PRED)" C 32 0.909 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.325 1
27 1 5 1 "RMS(OBS, PRED)" CB 29 1.518 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.634 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 28 3.265 1
31 1 6 1 "RMS(OBS, PRED)" C 32 1.250 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.217 1
33 1 6 1 "RMS(OBS, PRED)" CB 29 1.420 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.623 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.385 1
36 1 6 1 "RMS(OBS, PRED)" N 28 2.320 1
37 1 7 1 "RMS(OBS, PRED)" C 32 1.103 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.516 1
39 1 7 1 "RMS(OBS, PRED)" CB 29 1.599 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.565 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.344 1
42 1 7 1 "RMS(OBS, PRED)" N 28 3.004 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.001 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.378 1
45 1 8 1 "RMS(OBS, PRED)" CB 29 1.203 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.582 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.353 1
48 1 8 1 "RMS(OBS, PRED)" N 28 3.024 1
49 1 9 1 "RMS(OBS, PRED)" C 32 1.073 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.337 1
51 1 9 1 "RMS(OBS, PRED)" CB 29 1.285 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.538 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.333 1
54 1 9 1 "RMS(OBS, PRED)" N 28 2.396 1
55 1 10 1 "RMS(OBS, PRED)" C 32 0.856 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.365 1
57 1 10 1 "RMS(OBS, PRED)" CB 29 1.605 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.493 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.400 1
60 1 10 1 "RMS(OBS, PRED)" N 28 2.551 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.029 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.491 1
63 1 11 1 "RMS(OBS, PRED)" CB 29 1.502 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.629 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.367 1
66 1 11 1 "RMS(OBS, PRED)" N 28 2.594 1
67 1 12 1 "RMS(OBS, PRED)" C 32 1.075 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.064 1
69 1 12 1 "RMS(OBS, PRED)" CB 29 1.089 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.605 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.312 1
72 1 12 1 "RMS(OBS, PRED)" N 28 2.571 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.031 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.480 1
75 1 13 1 "RMS(OBS, PRED)" CB 29 1.394 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.654 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.346 1
78 1 13 1 "RMS(OBS, PRED)" N 28 2.621 1
79 1 14 1 "RMS(OBS, PRED)" C 32 0.946 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.290 1
81 1 14 1 "RMS(OBS, PRED)" CB 29 1.290 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.514 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.355 1
84 1 14 1 "RMS(OBS, PRED)" N 28 2.634 1
85 1 15 1 "RMS(OBS, PRED)" C 32 0.898 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.368 1
87 1 15 1 "RMS(OBS, PRED)" CB 29 1.399 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.632 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.262 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.551 1
91 1 16 1 "RMS(OBS, PRED)" C 32 0.937 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.535 1
93 1 16 1 "RMS(OBS, PRED)" CB 29 1.593 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.580 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.398 1
96 1 16 1 "RMS(OBS, PRED)" N 28 2.948 1
97 1 17 1 "RMS(OBS, PRED)" C 32 0.976 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.315 1
99 1 17 1 "RMS(OBS, PRED)" CB 29 1.312 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.524 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.300 1
102 1 17 1 "RMS(OBS, PRED)" N 28 3.198 1
103 1 18 1 "RMS(OBS, PRED)" C 32 0.978 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.591 1
105 1 18 1 "RMS(OBS, PRED)" CB 29 1.166 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.554 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.386 1
108 1 18 1 "RMS(OBS, PRED)" N 28 2.751 1
109 1 19 1 "RMS(OBS, PRED)" C 32 1.023 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.350 1
111 1 19 1 "RMS(OBS, PRED)" CB 29 1.475 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.576 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.374 1
114 1 19 1 "RMS(OBS, PRED)" N 28 3.340 1
115 1 20 1 "RMS(OBS, PRED)" C 32 1.050 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.376 1
117 1 20 1 "RMS(OBS, PRED)" CB 29 1.242 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.556 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.342 1
120 1 20 1 "RMS(OBS, PRED)" N 28 2.242 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.463 45.734 -0.271 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.028 4.070 -0.042 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.028 4.072 -0.044 2
1 4 . 1 1 A 7 7 GLY C C 7 174.552 173.377 1.175 2
1 5 . 1 1 A 8 8 THR N N 8 112.866 115.575 -2.709 2
1 6 . 1 1 A 8 8 THR H H 8 8.147 8.266 -0.119 2
1 7 . 1 1 A 8 8 THR CA C 8 61.817 61.566 0.251 2
1 8 . 1 1 A 8 8 THR HA H 8 4.339 4.626 -0.287 2
1 9 . 1 1 A 8 8 THR CB C 8 69.759 70.269 -0.510 2
1 15 . 1 1 A 8 8 THR C C 8 175.264 174.426 0.838 2
1 16 . 1 1 A 9 9 GLY N N 9 111.067 111.896 -0.829 2
1 17 . 1 1 A 9 9 GLY H H 9 8.443 8.494 -0.051 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.274 45.359 -0.085 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.943 4.068 -0.125 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.943 4.071 -0.128 2
1 21 . 1 1 A 9 9 GLY C C 9 174.030 173.397 0.633 2
1 22 . 1 1 A 10 10 GLU N N 10 120.578 121.047 -0.469 2
1 23 . 1 1 A 10 10 GLU H H 10 8.208 8.451 -0.243 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.472 55.702 0.770 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.219 4.577 -0.358 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.440 30.895 -0.455 2
1 31 . 1 1 A 10 10 GLU C C 10 176.263 175.422 0.841 2
1 32 . 1 1 A 11 11 LYS N N 11 123.011 123.444 -0.433 2
1 33 . 1 1 A 11 11 LYS H H 11 8.294 8.346 -0.052 2
1 34 . 1 1 A 11 11 LYS CA C 11 53.808 53.823 -0.015 2
1 35 . 1 1 A 11 11 LYS HA H 11 4.507 4.612 -0.105 2
1 36 . 1 1 A 11 11 LYS CB C 11 32.578 33.632 -1.054 2
1 48 . 1 1 A 11 11 LYS C C 11 174.019 176.202 -2.183 2
1 49 . 1 1 A 12 12 PRO CA C 12 62.899 64.261 -1.362 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.290 4.447 -0.157 2
1 51 . 1 1 A 12 12 PRO CB C 12 32.252 31.623 0.629 2
1 60 . 1 1 A 12 12 PRO C C 12 176.475 175.906 0.569 2
1 61 . 1 1 A 13 13 TYR N N 13 119.889 118.621 1.268 2
1 62 . 1 1 A 13 13 TYR H H 13 8.093 7.722 0.371 2
1 63 . 1 1 A 13 13 TYR CA C 13 57.162 56.739 0.423 2
1 64 . 1 1 A 13 13 TYR HA H 13 4.587 5.117 -0.530 2
1 65 . 1 1 A 13 13 TYR CB C 13 38.013 39.630 -1.617 2
1 76 . 1 1 A 13 13 TYR C C 13 174.036 174.362 -0.326 2
1 77 . 1 1 A 14 14 LYS N N 14 124.683 124.968 -0.285 2
1 78 . 1 1 A 14 14 LYS H H 14 8.350 8.953 -0.603 2
1 79 . 1 1 A 14 14 LYS CA C 14 54.699 54.582 0.117 2
1 80 . 1 1 A 14 14 LYS HA H 14 5.082 5.290 -0.208 2
1 81 . 1 1 A 14 14 LYS CB C 14 36.077 36.336 -0.259 2
1 93 . 1 1 A 14 14 LYS C C 14 175.154 174.820 0.334 2
1 94 . 1 1 A 15 15 CYS N N 15 127.993 124.291 3.702 2
1 95 . 1 1 A 15 15 CYS H H 15 9.322 9.067 0.255 2
1 96 . 1 1 A 15 15 CYS CA C 15 59.441 58.915 0.526 2
1 97 . 1 1 A 15 15 CYS HA H 15 4.526 4.693 -0.167 2
1 98 . 1 1 A 15 15 CYS CB C 15 29.639 28.817 0.822 2
1 101 . 1 1 A 15 15 CYS C C 15 176.800 175.824 0.976 2
1 102 . 1 1 A 16 16 ASN CA C 16 55.581 53.968 1.613 2
1 103 . 1 1 A 16 16 ASN HA H 16 4.498 4.742 -0.244 2
1 104 . 1 1 A 16 16 ASN CB C 16 38.278 38.171 0.107 2
1 110 . 1 1 A 16 16 ASN C C 16 175.404 176.477 -1.073 2
1 111 . 1 1 A 17 17 GLU N N 17 120.838 119.363 1.475 2
1 112 . 1 1 A 17 17 GLU H H 17 8.709 8.055 0.654 2
1 113 . 1 1 A 17 17 GLU CA C 17 58.732 57.923 0.809 2
1 114 . 1 1 A 17 17 GLU HA H 17 4.180 4.272 -0.092 2
1 115 . 1 1 A 17 17 GLU CB C 17 29.321 30.603 -1.282 2
1 121 . 1 1 A 17 17 GLU C C 17 177.142 177.931 -0.790 2
1 122 . 1 1 A 18 18 CYS N N 18 114.657 115.022 -0.365 2
1 123 . 1 1 A 18 18 CYS H H 18 7.916 7.990 -0.074 2
1 124 . 1 1 A 18 18 CYS CA C 18 58.276 59.735 -1.459 2
1 125 . 1 1 A 18 18 CYS HA H 18 5.140 4.728 0.412 2
1 126 . 1 1 A 18 18 CYS CB C 18 32.360 29.924 2.436 2
1 129 . 1 1 A 18 18 CYS C C 18 176.225 175.458 0.767 2
1 130 . 1 1 A 19 19 GLY N N 19 113.624 109.633 3.991 2
1 131 . 1 1 A 19 19 GLY H H 19 8.162 8.230 -0.068 2
1 132 . 1 1 A 19 19 GLY CA C 19 46.220 45.753 0.467 2
1 133 . 1 1 A 19 19 GLY HA2 H 19 3.703 4.065 -0.362 2
1 134 . 1 1 A 19 19 GLY HA3 H 19 4.211 4.070 0.141 2
1 135 . 1 1 A 19 19 GLY C C 19 173.525 173.996 -0.471 2
1 136 . 1 1 A 20 20 LYS N N 20 122.667 119.957 2.710 2
1 137 . 1 1 A 20 20 LYS H H 20 7.889 7.804 0.085 2
1 138 . 1 1 A 20 20 LYS CA C 20 58.257 54.533 3.724 2
1 139 . 1 1 A 20 20 LYS HA H 20 3.946 4.728 -0.782 2
1 140 . 1 1 A 20 20 LYS CB C 20 33.797 35.467 -1.670 2
1 152 . 1 1 A 20 20 LYS C C 20 174.228 175.113 -0.885 2
1 153 . 1 1 A 21 21 VAL N N 21 117.585 119.914 -2.329 2
1 154 . 1 1 A 21 21 VAL H H 21 7.598 8.689 -1.091 2
1 155 . 1 1 A 21 21 VAL CA C 21 60.474 60.157 0.317 2
1 156 . 1 1 A 21 21 VAL HA H 21 4.740 5.255 -0.515 2
1 157 . 1 1 A 21 21 VAL CB C 21 33.927 33.758 0.169 2
1 167 . 1 1 A 21 21 VAL C C 21 175.205 174.489 0.716 2
1 168 . 1 1 A 22 22 PHE N N 22 121.649 120.078 1.571 2
1 169 . 1 1 A 22 22 PHE H H 22 8.733 8.524 0.209 2
1 170 . 1 1 A 22 22 PHE CA C 22 56.779 56.588 0.191 2
1 171 . 1 1 A 22 22 PHE HA H 22 4.897 4.946 -0.049 2
1 172 . 1 1 A 22 22 PHE CB C 22 43.417 43.466 -0.049 2
1 185 . 1 1 A 22 22 PHE C C 22 175.652 175.613 0.039 2
1 186 . 1 1 A 23 23 THR N N 23 111.274 116.266 -4.992 2
1 187 . 1 1 A 23 23 THR H H 23 9.494 8.668 0.826 2
1 188 . 1 1 A 23 23 THR CA C 23 63.213 64.003 -0.790 2
1 189 . 1 1 A 23 23 THR HA H 23 4.528 4.249 0.279 2
1 190 . 1 1 A 23 23 THR CB C 23 69.708 69.458 0.250 2
1 196 . 1 1 A 23 23 THR C C 23 174.881 173.886 0.995 2
1 197 . 1 1 A 24 24 GLN N N 24 115.450 119.458 -4.008 2
1 198 . 1 1 A 24 24 GLN H H 24 7.058 7.690 -0.632 2
1 199 . 1 1 A 24 24 GLN CA C 24 53.963 54.124 -0.161 2
1 200 . 1 1 A 24 24 GLN HA H 24 4.452 4.503 -0.051 2
1 201 . 1 1 A 24 24 GLN CB C 24 31.851 30.872 0.979 2
1 210 . 1 1 A 24 24 GLN C C 24 175.682 175.860 -0.178 2
1 211 . 1 1 A 25 25 ASN CA C 25 56.596 56.558 0.038 2
1 212 . 1 1 A 25 25 ASN HA H 25 3.560 4.224 -0.664 2
1 213 . 1 1 A 25 25 ASN CB C 25 38.675 38.302 0.373 2
1 219 . 1 1 A 26 26 SER CA C 26 61.163 61.671 -0.508 2
1 220 . 1 1 A 26 26 SER HA H 26 3.881 4.120 -0.239 2
1 221 . 1 1 A 26 26 SER CB C 26 61.444 62.873 -1.429 2
1 224 . 1 1 A 26 26 SER C C 26 177.103 177.045 0.058 2
1 225 . 1 1 A 27 27 HIS N N 27 120.980 119.045 1.935 2
1 226 . 1 1 A 27 27 HIS H H 27 6.699 7.917 -1.218 2
1 227 . 1 1 A 27 27 HIS CA C 27 56.939 59.010 -2.071 2
1 228 . 1 1 A 27 27 HIS HA H 27 4.344 4.229 0.115 2
1 229 . 1 1 A 27 27 HIS CB C 27 31.831 30.080 1.751 2
1 236 . 1 1 A 27 27 HIS C C 27 177.849 177.312 0.537 2
1 237 . 1 1 A 28 28 LEU N N 28 122.679 120.457 2.222 2
1 238 . 1 1 A 28 28 LEU H H 28 6.876 7.657 -0.781 2
1 239 . 1 1 A 28 28 LEU CA C 28 57.700 57.645 0.055 2
1 240 . 1 1 A 28 28 LEU HA H 28 3.175 2.833 0.342 2
1 241 . 1 1 A 28 28 LEU CB C 28 40.513 41.647 -1.134 2
1 254 . 1 1 A 28 28 LEU C C 28 177.396 178.246 -0.850 2
1 255 . 1 1 A 29 29 VAL N N 29 119.083 118.949 0.134 2
1 256 . 1 1 A 29 29 VAL H H 29 8.251 8.127 0.124 2
1 257 . 1 1 A 29 29 VAL CA C 29 66.791 66.376 0.415 2
1 258 . 1 1 A 29 29 VAL HA H 29 3.372 3.562 -0.190 2
1 259 . 1 1 A 29 29 VAL CB C 29 31.749 31.458 0.291 2
1 269 . 1 1 A 29 29 VAL C C 29 178.979 177.915 1.064 2
1 270 . 1 1 A 30 30 ARG N N 30 118.008 120.420 -2.412 2
1 271 . 1 1 A 30 30 ARG H H 30 7.431 7.851 -0.420 2
1 272 . 1 1 A 30 30 ARG CA C 30 58.827 59.468 -0.641 2
1 273 . 1 1 A 30 30 ARG HA H 30 3.988 3.943 0.045 2
1 274 . 1 1 A 30 30 ARG CB C 30 30.154 29.934 0.220 2
1 283 . 1 1 A 30 30 ARG C C 30 178.629 178.426 0.203 2
1 284 . 1 1 A 31 31 HIS N N 31 119.261 119.514 -0.253 2
1 285 . 1 1 A 31 31 HIS H H 31 7.645 7.938 -0.293 2
1 286 . 1 1 A 31 31 HIS CA C 31 58.859 59.878 -1.019 2
1 287 . 1 1 A 31 31 HIS HA H 31 4.182 4.142 0.040 2
1 288 . 1 1 A 31 31 HIS CB C 31 28.757 29.565 -0.808 2
1 295 . 1 1 A 31 31 HIS C C 31 175.828 176.676 -0.848 2
1 296 . 1 1 A 32 32 ARG N N 32 115.529 117.374 -1.845 2
1 297 . 1 1 A 32 32 ARG H H 32 8.072 8.186 -0.114 2
1 298 . 1 1 A 32 32 ARG CA C 32 59.996 59.003 0.993 2
1 299 . 1 1 A 32 32 ARG HA H 32 3.724 4.017 -0.293 2
1 300 . 1 1 A 32 32 ARG CB C 32 29.913 29.941 -0.028 2
1 309 . 1 1 A 32 32 ARG C C 32 178.047 179.640 -1.593 2
1 310 . 1 1 A 33 33 GLY N N 33 105.489 108.299 -2.810 2
1 311 . 1 1 A 33 33 GLY H H 33 7.514 8.503 -0.989 2
1 312 . 1 1 A 33 33 GLY CA C 33 46.567 47.278 -0.711 2
1 313 . 1 1 A 33 33 GLY HA2 H 33 3.988 3.697 0.291 2
1 314 . 1 1 A 33 33 GLY HA3 H 33 3.867 3.719 0.148 2
1 315 . 1 1 A 33 33 GLY C C 33 175.858 175.941 -0.083 2
1 316 . 1 1 A 34 34 ILE N N 34 118.370 119.908 -1.538 2
1 317 . 1 1 A 34 34 ILE H H 34 7.808 8.134 -0.326 2
1 318 . 1 1 A 34 34 ILE CA C 34 62.704 64.033 -1.329 2
1 319 . 1 1 A 34 34 ILE HA H 34 4.015 3.776 0.239 2
1 320 . 1 1 A 34 34 ILE CB C 34 37.645 37.256 0.389 2
1 333 . 1 1 A 34 34 ILE C C 34 177.413 177.202 0.211 2
1 334 . 1 1 A 35 35 HIS N N 35 117.927 119.679 -1.752 2
1 335 . 1 1 A 35 35 HIS H H 35 7.318 7.791 -0.473 2
1 336 . 1 1 A 35 35 HIS CA C 35 55.214 57.598 -2.384 2
1 337 . 1 1 A 35 35 HIS HA H 35 4.843 4.485 0.358 2
1 338 . 1 1 A 35 35 HIS CB C 35 28.625 30.057 -1.432 2
1 345 . 1 1 A 35 35 HIS C C 35 175.767 175.296 0.471 2
1 346 . 1 1 A 36 36 THR N N 36 111.953 111.340 0.613 2
1 347 . 1 1 A 36 36 THR H H 36 7.787 7.630 0.157 2
1 348 . 1 1 A 36 36 THR CA C 36 62.359 61.563 0.796 2
1 349 . 1 1 A 36 36 THR HA H 36 4.329 4.465 -0.136 2
1 350 . 1 1 A 36 36 THR CB C 36 69.674 69.969 -0.295 2
1 356 . 1 1 A 36 36 THR C C 36 175.402 174.223 1.179 2
1 357 . 1 1 A 37 37 GLY N N 37 110.854 112.576 -1.723 2
1 358 . 1 1 A 37 37 GLY H H 37 8.240 8.432 -0.192 2
1 359 . 1 1 A 37 37 GLY CA C 37 45.374 45.544 -0.170 2
1 360 . 1 1 A 37 37 GLY HA2 H 37 3.969 4.063 -0.094 2
1 361 . 1 1 A 37 37 GLY HA3 H 37 3.969 4.068 -0.099 2
1 362 . 1 1 A 37 37 GLY C C 37 174.095 173.567 0.528 2
1 363 . 1 1 A 38 38 GLU N N 38 120.594 121.336 -0.742 2
1 364 . 1 1 A 38 38 GLU H H 38 8.078 8.330 -0.252 2
1 365 . 1 1 A 38 38 GLU CA C 38 56.370 56.033 0.337 2
1 366 . 1 1 A 38 38 GLU HA H 38 4.216 4.498 -0.282 2
1 367 . 1 1 A 38 38 GLU CB C 38 30.465 30.641 -0.176 2
1 373 . 1 1 A 38 38 GLU C C 38 176.250 175.765 0.485 2
1 374 . 1 1 A 39 39 LYS N N 39 123.816 121.481 2.335 2
1 375 . 1 1 A 39 39 LYS H H 39 8.397 8.415 -0.018 2
1 376 . 1 1 A 39 39 LYS CA C 39 54.085 55.045 -0.960 2
1 377 . 1 1 A 39 39 LYS HA H 39 4.574 4.440 0.134 2
1 378 . 1 1 A 39 39 LYS CB C 39 32.412 32.811 -0.399 2
1 385 . 1 1 A 39 39 LYS C C 39 174.477 174.965 -0.488 2
1 386 . 1 1 A 40 40 PRO CA C 40 63.185 62.883 0.302 2
1 387 . 1 1 A 40 40 PRO HA H 40 4.439 4.590 -0.151 2
1 388 . 1 1 A 40 40 PRO CB C 40 32.140 31.823 0.317 2
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