data_10156_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10156
_Entry.PDB_ID 2YTS
_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 9 9 GLY CA C 9 45.332 47.026 -1.694 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 3.946 3.939 0.007 1
1 3 . 1 1 1 A 9 9 GLY HA3 H 9 3.973 3.940 0.033 1
1 4 . 1 1 1 A 10 10 GLU N N 10 120.577 119.765 0.812 1
1 5 . 1 1 1 A 10 10 GLU H H 10 8.220 7.713 0.507 1
1 6 . 1 1 1 A 10 10 GLU CA C 10 56.615 56.375 0.240 1
1 7 . 1 1 1 A 10 10 GLU HA H 10 4.230 4.347 -0.117 1
1 8 . 1 1 1 A 10 10 GLU CB C 10 30.561 29.669 0.892 1
1 14 . 1 1 1 A 11 11 LYS N N 11 122.715 124.483 -1.768 1
1 15 . 1 1 1 A 11 11 LYS H H 11 8.255 8.528 -0.273 1
1 16 . 1 1 1 A 11 11 LYS CA C 11 53.967 54.896 -0.929 1
1 17 . 1 1 1 A 11 11 LYS HA H 11 4.542 4.273 0.269 1
1 18 . 1 1 1 A 11 11 LYS CB C 11 32.542 31.887 0.655 1
1 30 . 1 1 1 A 12 12 PRO CA C 12 63.013 65.005 -1.992 1
1 31 . 1 1 1 A 12 12 PRO HA H 12 4.338 4.257 0.081 1
1 32 . 1 1 1 A 12 12 PRO CB C 12 32.326 31.547 0.779 1
1 41 . 1 1 1 A 12 12 PRO C C 12 176.009 175.893 0.116 1
1 42 . 1 1 1 A 13 13 TYR N N 13 119.228 117.454 1.774 1
1 43 . 1 1 1 A 13 13 TYR H H 13 8.222 7.848 0.374 1
1 44 . 1 1 1 A 13 13 TYR CA C 13 57.803 57.422 0.381 1
1 45 . 1 1 1 A 13 13 TYR HA H 13 4.593 5.069 -0.476 1
1 46 . 1 1 1 A 13 13 TYR CB C 13 38.831 39.895 -1.064 1
1 57 . 1 1 1 A 13 13 TYR C C 13 174.614 175.513 -0.899 1
1 58 . 1 1 1 A 14 14 ILE N N 14 124.244 123.597 0.647 1
1 59 . 1 1 1 A 14 14 ILE H H 14 8.484 8.897 -0.413 1
1 60 . 1 1 1 A 14 14 ILE CA C 14 59.739 60.245 -0.506 1
1 61 . 1 1 1 A 14 14 ILE HA H 14 4.668 4.931 -0.263 1
1 62 . 1 1 1 A 14 14 ILE CB C 14 40.799 41.639 -0.840 1
1 75 . 1 1 1 A 14 14 ILE C C 14 175.726 174.950 0.776 1
1 76 . 1 1 1 A 15 15 CYS N N 15 128.675 127.149 1.526 1
1 77 . 1 1 1 A 15 15 CYS H H 15 9.226 9.337 -0.111 1
1 78 . 1 1 1 A 15 15 CYS CA C 15 59.812 59.771 0.041 1
1 79 . 1 1 1 A 15 15 CYS HA H 15 4.528 4.673 -0.145 1
1 80 . 1 1 1 A 15 15 CYS CB C 15 29.505 28.452 1.053 1
1 83 . 1 1 1 A 15 15 CYS C C 15 176.706 174.817 1.889 1
1 84 . 1 1 1 A 16 16 ASN CA C 16 55.739 54.187 1.552 1
1 85 . 1 1 1 A 16 16 ASN HA H 16 4.510 4.818 -0.308 1
1 86 . 1 1 1 A 16 16 ASN CB C 16 38.232 40.058 -1.826 1
1 92 . 1 1 1 A 16 16 ASN C C 16 175.263 177.238 -1.975 1
1 93 . 1 1 1 A 17 17 GLU N N 17 120.356 118.702 1.654 1
1 94 . 1 1 1 A 17 17 GLU H H 17 8.711 8.261 0.450 1
1 95 . 1 1 1 A 17 17 GLU CA C 17 58.912 58.811 0.101 1
1 96 . 1 1 1 A 17 17 GLU HA H 17 4.219 3.939 0.280 1
1 97 . 1 1 1 A 17 17 GLU CB C 17 29.263 28.714 0.549 1
1 103 . 1 1 1 A 17 17 GLU C C 17 177.266 177.975 -0.709 1
1 104 . 1 1 1 A 18 18 CYS N N 18 114.672 114.977 -0.305 1
1 105 . 1 1 1 A 18 18 CYS H H 18 7.905 7.837 0.068 1
1 106 . 1 1 1 A 18 18 CYS CA C 18 58.496 59.560 -1.064 1
1 107 . 1 1 1 A 18 18 CYS HA H 18 5.190 4.563 0.627 1
1 108 . 1 1 1 A 18 18 CYS CB C 18 32.571 29.711 2.860 1
1 111 . 1 1 1 A 18 18 CYS C C 18 176.232 175.470 0.762 1
1 112 . 1 1 1 A 19 19 GLY N N 19 113.745 110.424 3.321 1
1 113 . 1 1 1 A 19 19 GLY H H 19 8.367 8.228 0.139 1
1 114 . 1 1 1 A 19 19 GLY CA C 19 46.162 45.737 0.425 1
1 115 . 1 1 1 A 19 19 GLY HA2 H 19 3.760 3.998 -0.238 1
1 116 . 1 1 1 A 19 19 GLY HA3 H 19 4.235 4.011 0.224 1
1 117 . 1 1 1 A 19 19 GLY C C 19 173.727 174.301 -0.574 1
1 118 . 1 1 1 A 20 20 LYS N N 20 122.843 121.022 1.821 1
1 119 . 1 1 1 A 20 20 LYS H H 20 7.974 7.777 0.197 1
1 120 . 1 1 1 A 20 20 LYS CA C 20 58.181 54.673 3.508 1
1 121 . 1 1 1 A 20 20 LYS HA H 20 4.028 4.624 -0.596 1
1 122 . 1 1 1 A 20 20 LYS CB C 20 33.694 35.312 -1.618 1
1 134 . 1 1 1 A 20 20 LYS C C 20 173.876 174.938 -1.062 1
1 135 . 1 1 1 A 21 21 SER N N 21 115.076 119.019 -3.943 1
1 136 . 1 1 1 A 21 21 SER H H 21 7.770 8.372 -0.602 1
1 137 . 1 1 1 A 21 21 SER CA C 21 56.403 56.506 -0.103 1
1 138 . 1 1 1 A 21 21 SER HA H 21 5.275 5.467 -0.192 1
1 139 . 1 1 1 A 21 21 SER CB C 21 66.263 66.185 0.078 1
1 142 . 1 1 1 A 21 21 SER C C 21 173.404 172.386 1.018 1
1 143 . 1 1 1 A 22 22 PHE N N 22 118.840 121.420 -2.580 1
1 144 . 1 1 1 A 22 22 PHE H H 22 8.924 8.582 0.342 1
1 145 . 1 1 1 A 22 22 PHE CA C 22 57.316 56.724 0.592 1
1 146 . 1 1 1 A 22 22 PHE HA H 22 4.808 5.092 -0.284 1
1 147 . 1 1 1 A 22 22 PHE CB C 22 43.905 44.310 -0.405 1
1 160 . 1 1 1 A 22 22 PHE C C 22 175.257 175.427 -0.170 1
1 161 . 1 1 1 A 23 23 ILE N N 23 119.405 120.204 -0.799 1
1 162 . 1 1 1 A 23 23 ILE H H 23 9.109 8.651 0.458 1
1 163 . 1 1 1 A 23 23 ILE CA C 23 62.857 62.518 0.339 1
1 164 . 1 1 1 A 23 23 ILE HA H 23 4.343 4.362 -0.019 1
1 165 . 1 1 1 A 23 23 ILE CB C 23 38.939 38.857 0.082 1
1 178 . 1 1 1 A 23 23 ILE C C 23 176.088 176.039 0.049 1
1 179 . 1 1 1 A 24 24 GLN N N 24 114.920 120.402 -5.482 1
1 180 . 1 1 1 A 24 24 GLN H H 24 7.421 7.705 -0.284 1
1 181 . 1 1 1 A 24 24 GLN CA C 24 53.880 54.922 -1.042 1
1 182 . 1 1 1 A 24 24 GLN HA H 24 4.767 4.422 0.345 1
1 183 . 1 1 1 A 24 24 GLN CB C 24 31.063 30.178 0.885 1
1 192 . 1 1 1 A 24 24 GLN C C 24 176.179 175.412 0.767 1
1 193 . 1 1 1 A 25 25 LYS N N 25 127.347 126.758 0.589 1
1 194 . 1 1 1 A 25 25 LYS H H 25 8.616 8.652 -0.036 1
1 195 . 1 1 1 A 25 25 LYS CA C 25 59.440 58.616 0.824 1
1 196 . 1 1 1 A 25 25 LYS HA H 25 2.991 2.867 0.124 1
1 197 . 1 1 1 A 25 25 LYS CB C 25 31.645 31.906 -0.261 1
1 209 . 1 1 1 A 25 25 LYS C C 25 178.388 177.921 0.467 1
1 210 . 1 1 1 A 26 26 SER CA C 26 60.966 61.300 -0.334 1
1 211 . 1 1 1 A 26 26 SER HA H 26 4.070 4.074 -0.004 1
1 212 . 1 1 1 A 26 26 SER CB C 26 61.804 62.309 -0.505 1
1 215 . 1 1 1 A 26 26 SER C C 26 177.389 177.271 0.118 1
1 216 . 1 1 1 A 27 27 HIS N N 27 121.710 118.862 2.848 1
1 217 . 1 1 1 A 27 27 HIS H H 27 6.907 7.878 -0.971 1
1 218 . 1 1 1 A 27 27 HIS CA C 27 57.311 58.748 -1.437 1
1 219 . 1 1 1 A 27 27 HIS HA H 27 4.396 4.210 0.186 1
1 220 . 1 1 1 A 27 27 HIS CB C 27 31.623 29.943 1.680 1
1 227 . 1 1 1 A 27 27 HIS C C 27 178.263 177.375 0.888 1
1 228 . 1 1 1 A 28 28 LEU N N 28 122.374 120.406 1.968 1
1 229 . 1 1 1 A 28 28 LEU H H 28 7.041 7.415 -0.374 1
1 230 . 1 1 1 A 28 28 LEU CA C 28 57.786 57.959 -0.173 1
1 231 . 1 1 1 A 28 28 LEU HA H 28 3.137 3.108 0.029 1
1 232 . 1 1 1 A 28 28 LEU CB C 28 40.116 41.725 -1.609 1
1 245 . 1 1 1 A 28 28 LEU C C 28 177.533 178.131 -0.598 1
1 246 . 1 1 1 A 29 29 ASN N N 29 117.551 116.031 1.520 1
1 247 . 1 1 1 A 29 29 ASN H H 29 8.313 8.508 -0.195 1
1 248 . 1 1 1 A 29 29 ASN CA C 29 56.172 56.503 -0.331 1
1 249 . 1 1 1 A 29 29 ASN HA H 29 4.289 4.401 -0.112 1
1 250 . 1 1 1 A 29 29 ASN CB C 29 37.474 37.978 -0.504 1
1 256 . 1 1 1 A 29 29 ASN C C 29 177.889 177.388 0.501 1
1 257 . 1 1 1 A 30 30 ARG N N 30 119.042 119.968 -0.926 1
1 258 . 1 1 1 A 30 30 ARG H H 30 7.644 7.918 -0.274 1
1 259 . 1 1 1 A 30 30 ARG CA C 30 59.123 58.187 0.936 1
1 260 . 1 1 1 A 30 30 ARG HA H 30 4.021 4.072 -0.051 1
1 261 . 1 1 1 A 30 30 ARG CB C 30 30.220 30.149 0.071 1
1 270 . 1 1 1 A 30 30 ARG C C 30 178.562 178.248 0.314 1
1 271 . 1 1 1 A 31 31 HIS N N 31 119.736 119.435 0.301 1
1 272 . 1 1 1 A 31 31 HIS H H 31 7.693 8.305 -0.612 1
1 273 . 1 1 1 A 31 31 HIS CA C 31 59.093 59.147 -0.054 1
1 274 . 1 1 1 A 31 31 HIS HA H 31 4.219 4.073 0.146 1
1 275 . 1 1 1 A 31 31 HIS CB C 31 28.571 29.644 -1.073 1
1 282 . 1 1 1 A 31 31 HIS C C 31 176.193 177.196 -1.003 1
1 283 . 1 1 1 A 32 32 ARG N N 32 115.270 118.038 -2.768 1
1 284 . 1 1 1 A 32 32 ARG H H 32 8.284 8.507 -0.223 1
1 285 . 1 1 1 A 32 32 ARG CA C 32 59.938 59.684 0.254 1
1 286 . 1 1 1 A 32 32 ARG HA H 32 3.690 3.912 -0.222 1
1 287 . 1 1 1 A 32 32 ARG CB C 32 29.938 30.085 -0.147 1
1 296 . 1 1 1 A 32 32 ARG C C 32 177.517 178.896 -1.379 1
1 297 . 1 1 1 A 33 33 ARG N N 33 117.230 119.162 -1.932 1
1 298 . 1 1 1 A 33 33 ARG H H 33 7.078 7.848 -0.770 1
1 299 . 1 1 1 A 33 33 ARG CA C 33 58.344 58.846 -0.502 1
1 300 . 1 1 1 A 33 33 ARG HA H 33 4.161 3.941 0.220 1
1 301 . 1 1 1 A 33 33 ARG CB C 33 29.905 29.826 0.079 1
1 310 . 1 1 1 A 33 33 ARG C C 33 178.467 178.359 0.108 1
1 311 . 1 1 1 A 34 34 ILE N N 34 116.308 118.345 -2.037 1
1 312 . 1 1 1 A 34 34 ILE H H 34 7.826 7.676 0.150 1
1 313 . 1 1 1 A 34 34 ILE CA C 34 63.103 63.963 -0.860 1
1 314 . 1 1 1 A 34 34 ILE HA H 34 3.988 3.742 0.246 1
1 315 . 1 1 1 A 34 34 ILE CB C 34 37.701 37.230 0.471 1
1 328 . 1 1 1 A 34 34 ILE C C 34 177.295 177.551 -0.256 1
1 329 . 1 1 1 A 35 35 HIS N N 35 117.638 120.060 -2.422 1
1 330 . 1 1 1 A 35 35 HIS H H 35 7.284 7.266 0.018 1
1 331 . 1 1 1 A 35 35 HIS CA C 35 55.201 58.682 -3.481 1
1 332 . 1 1 1 A 35 35 HIS HA H 35 4.868 4.339 0.529 1
1 333 . 1 1 1 A 35 35 HIS CB C 35 28.625 29.925 -1.300 1
1 340 . 1 1 1 A 35 35 HIS C C 35 175.837 176.217 -0.380 1
1 341 . 1 1 1 A 36 36 THR N N 36 111.405 111.722 -0.317 1
1 342 . 1 1 1 A 36 36 THR H H 36 7.803 7.384 0.419 1
1 343 . 1 1 1 A 36 36 THR CA C 36 62.492 61.934 0.558 1
1 344 . 1 1 1 A 36 36 THR HA H 36 4.364 4.556 -0.192 1
1 345 . 1 1 1 A 36 36 THR CB C 36 69.845 69.416 0.429 1
1 351 . 1 1 1 A 36 36 THR C C 36 175.507 173.751 1.756 1
1 352 . 1 1 1 A 37 37 GLY N N 37 110.690 114.362 -3.672 1
1 353 . 1 1 1 A 37 37 GLY H H 37 8.232 8.343 -0.111 1
1 354 . 1 1 1 A 37 37 GLY CA C 37 45.429 46.206 -0.777 1
1 355 . 1 1 1 A 37 37 GLY HA2 H 37 3.946 4.240 -0.294 1
1 356 . 1 1 1 A 37 37 GLY HA3 H 37 4.046 4.248 -0.202 1
1 357 . 1 1 1 A 37 37 GLY C C 37 174.088 171.598 2.490 1
1 358 . 1 1 1 A 38 38 GLU N N 38 120.568 122.698 -2.130 1
1 359 . 1 1 1 A 38 38 GLU H H 38 8.064 8.796 -0.732 1
1 360 . 1 1 1 A 38 38 GLU CA C 38 56.499 55.522 0.977 1
1 361 . 1 1 1 A 38 38 GLU HA H 38 4.241 4.788 -0.547 1
1 362 . 1 1 1 A 38 38 GLU CB C 38 30.568 30.866 -0.298 1
1 368 . 1 1 1 A 38 38 GLU C C 38 176.155 175.068 1.087 1
1 369 . 1 1 1 A 39 39 LYS N N 39 123.848 123.870 -0.022 1
1 370 . 1 1 1 A 39 39 LYS H H 39 8.425 8.423 0.002 1
1 371 . 1 1 1 A 39 39 LYS CA C 39 54.028 54.028 0.000 1
1 372 . 1 1 1 A 39 39 LYS HA H 39 4.608 4.842 -0.234 1
1 373 . 1 1 1 A 39 39 LYS CB C 39 32.467 33.302 -0.835 1
1 385 . 1 1 1 A 39 39 LYS C C 39 174.487 176.218 -1.731 1
1 386 . 1 1 1 A 40 40 PRO CA C 40 63.260 64.804 -1.544 1
1 387 . 1 1 1 A 40 40 PRO HA H 40 4.467 4.452 0.015 1
1 388 . 1 1 1 A 40 40 PRO CB C 40 32.180 32.064 0.116 1
1 397 . 1 1 1 A 42 42 GLY CA C 42 44.682 45.324 -0.642 1
1 398 . 1 1 1 A 42 42 GLY HA2 H 42 4.145 4.261 -0.116 1
1 399 . 1 1 1 A 42 42 GLY HA3 H 42 4.145 4.262 -0.117 1
1 400 . 1 1 1 A 43 43 PRO CA C 43 63.122 64.306 -1.184 1
1 401 . 1 1 1 A 43 43 PRO HA H 43 4.464 4.354 0.110 1
1 402 . 1 1 1 A 43 43 PRO CB C 43 32.215 31.853 0.362 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.332 44.764 0.568 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 3.946 4.220 -0.274 1
1 3 . 2 1 1 A 9 9 GLY HA3 H 9 3.973 4.224 -0.251 1
1 4 . 2 1 1 A 10 10 GLU N N 10 120.577 125.032 -4.455 1
1 5 . 2 1 1 A 10 10 GLU H H 10 8.220 9.027 -0.807 1
1 6 . 2 1 1 A 10 10 GLU CA C 10 56.615 55.096 1.519 1
1 7 . 2 1 1 A 10 10 GLU HA H 10 4.230 4.698 -0.468 1
1 8 . 2 1 1 A 10 10 GLU CB C 10 30.561 30.489 0.072 1
1 14 . 2 1 1 A 11 11 LYS N N 11 122.715 121.812 0.903 1
1 15 . 2 1 1 A 11 11 LYS H H 11 8.255 7.434 0.821 1
1 16 . 2 1 1 A 11 11 LYS CA C 11 53.967 53.206 0.761 1
1 17 . 2 1 1 A 11 11 LYS HA H 11 4.542 4.814 -0.272 1
1 18 . 2 1 1 A 11 11 LYS CB C 11 32.542 34.074 -1.532 1
1 30 . 2 1 1 A 12 12 PRO CA C 12 63.013 65.017 -2.004 1
1 31 . 2 1 1 A 12 12 PRO HA H 12 4.338 4.286 0.052 1
1 32 . 2 1 1 A 12 12 PRO CB C 12 32.326 31.652 0.674 1
1 41 . 2 1 1 A 12 12 PRO C C 12 176.009 175.985 0.024 1
1 42 . 2 1 1 A 13 13 TYR N N 13 119.228 117.603 1.625 1
1 43 . 2 1 1 A 13 13 TYR H H 13 8.222 7.777 0.445 1
1 44 . 2 1 1 A 13 13 TYR CA C 13 57.803 56.916 0.887 1
1 45 . 2 1 1 A 13 13 TYR HA H 13 4.593 5.307 -0.714 1
1 46 . 2 1 1 A 13 13 TYR CB C 13 38.831 40.528 -1.697 1
1 57 . 2 1 1 A 13 13 TYR C C 13 174.614 174.924 -0.310 1
1 58 . 2 1 1 A 14 14 ILE N N 14 124.244 123.612 0.632 1
1 59 . 2 1 1 A 14 14 ILE H H 14 8.484 8.891 -0.407 1
1 60 . 2 1 1 A 14 14 ILE CA C 14 59.739 60.309 -0.570 1
1 61 . 2 1 1 A 14 14 ILE HA H 14 4.668 5.010 -0.342 1
1 62 . 2 1 1 A 14 14 ILE CB C 14 40.799 41.891 -1.092 1
1 75 . 2 1 1 A 14 14 ILE C C 14 175.726 175.389 0.337 1
1 76 . 2 1 1 A 15 15 CYS N N 15 128.675 127.143 1.532 1
1 77 . 2 1 1 A 15 15 CYS H H 15 9.226 9.394 -0.168 1
1 78 . 2 1 1 A 15 15 CYS CA C 15 59.812 59.505 0.307 1
1 79 . 2 1 1 A 15 15 CYS HA H 15 4.528 4.718 -0.190 1
1 80 . 2 1 1 A 15 15 CYS CB C 15 29.505 28.329 1.176 1
1 83 . 2 1 1 A 15 15 CYS C C 15 176.706 175.776 0.930 1
1 84 . 2 1 1 A 16 16 ASN CA C 16 55.739 53.603 2.136 1
1 85 . 2 1 1 A 16 16 ASN HA H 16 4.510 4.911 -0.401 1
1 86 . 2 1 1 A 16 16 ASN CB C 16 38.232 38.918 -0.686 1
1 92 . 2 1 1 A 16 16 ASN C C 16 175.263 175.544 -0.281 1
1 93 . 2 1 1 A 17 17 GLU N N 17 120.356 118.034 2.322 1
1 94 . 2 1 1 A 17 17 GLU H H 17 8.711 7.978 0.733 1
1 95 . 2 1 1 A 17 17 GLU CA C 17 58.912 57.157 1.755 1
1 96 . 2 1 1 A 17 17 GLU HA H 17 4.219 4.444 -0.225 1
1 97 . 2 1 1 A 17 17 GLU CB C 17 29.263 31.119 -1.856 1
1 103 . 2 1 1 A 17 17 GLU C C 17 177.266 177.858 -0.592 1
1 104 . 2 1 1 A 18 18 CYS N N 18 114.672 114.987 -0.315 1
1 105 . 2 1 1 A 18 18 CYS H H 18 7.905 8.130 -0.225 1
1 106 . 2 1 1 A 18 18 CYS CA C 18 58.496 59.451 -0.955 1
1 107 . 2 1 1 A 18 18 CYS HA H 18 5.190 4.640 0.550 1
1 108 . 2 1 1 A 18 18 CYS CB C 18 32.571 30.142 2.429 1
1 111 . 2 1 1 A 18 18 CYS C C 18 176.232 175.487 0.745 1
1 112 . 2 1 1 A 19 19 GLY N N 19 113.745 110.075 3.670 1
1 113 . 2 1 1 A 19 19 GLY H H 19 8.367 7.917 0.450 1
1 114 . 2 1 1 A 19 19 GLY CA C 19 46.162 45.613 0.549 1
1 115 . 2 1 1 A 19 19 GLY HA2 H 19 3.760 4.059 -0.299 1
1 116 . 2 1 1 A 19 19 GLY HA3 H 19 4.235 4.067 0.168 1
1 117 . 2 1 1 A 19 19 GLY C C 19 173.727 174.017 -0.290 1
1 118 . 2 1 1 A 20 20 LYS N N 20 122.843 119.475 3.368 1
1 119 . 2 1 1 A 20 20 LYS H H 20 7.974 7.819 0.155 1
1 120 . 2 1 1 A 20 20 LYS CA C 20 58.181 53.681 4.500 1
1 121 . 2 1 1 A 20 20 LYS HA H 20 4.028 4.675 -0.647 1
1 122 . 2 1 1 A 20 20 LYS CB C 20 33.694 34.869 -1.175 1
1 134 . 2 1 1 A 20 20 LYS C C 20 173.876 174.883 -1.007 1
1 135 . 2 1 1 A 21 21 SER N N 21 115.076 113.276 1.800 1
1 136 . 2 1 1 A 21 21 SER H H 21 7.770 8.709 -0.939 1
1 137 . 2 1 1 A 21 21 SER CA C 21 56.403 55.274 1.129 1
1 138 . 2 1 1 A 21 21 SER HA H 21 5.275 5.550 -0.275 1
1 139 . 2 1 1 A 21 21 SER CB C 21 66.263 66.173 0.090 1
1 142 . 2 1 1 A 21 21 SER C C 21 173.404 173.224 0.180 1
1 143 . 2 1 1 A 22 22 PHE N N 22 118.840 117.506 1.334 1
1 144 . 2 1 1 A 22 22 PHE H H 22 8.924 8.482 0.442 1
1 145 . 2 1 1 A 22 22 PHE CA C 22 57.316 56.531 0.785 1
1 146 . 2 1 1 A 22 22 PHE HA H 22 4.808 4.994 -0.186 1
1 147 . 2 1 1 A 22 22 PHE CB C 22 43.905 43.860 0.045 1
1 160 . 2 1 1 A 22 22 PHE C C 22 175.257 175.354 -0.097 1
1 161 . 2 1 1 A 23 23 ILE N N 23 119.405 118.816 0.589 1
1 162 . 2 1 1 A 23 23 ILE H H 23 9.109 8.791 0.318 1
1 163 . 2 1 1 A 23 23 ILE CA C 23 62.857 61.361 1.496 1
1 164 . 2 1 1 A 23 23 ILE HA H 23 4.343 4.618 -0.275 1
1 165 . 2 1 1 A 23 23 ILE CB C 23 38.939 39.246 -0.307 1
1 178 . 2 1 1 A 23 23 ILE C C 23 176.088 175.115 0.973 1
1 179 . 2 1 1 A 24 24 GLN N N 24 114.920 122.359 -7.439 1
1 180 . 2 1 1 A 24 24 GLN H H 24 7.421 7.903 -0.482 1
1 181 . 2 1 1 A 24 24 GLN CA C 24 53.880 54.123 -0.243 1
1 182 . 2 1 1 A 24 24 GLN HA H 24 4.767 4.361 0.406 1
1 183 . 2 1 1 A 24 24 GLN CB C 24 31.063 30.067 0.996 1
1 192 . 2 1 1 A 24 24 GLN C C 24 176.179 175.341 0.838 1
1 193 . 2 1 1 A 25 25 LYS N N 25 127.347 127.839 -0.492 1
1 194 . 2 1 1 A 25 25 LYS H H 25 8.616 8.544 0.072 1
1 195 . 2 1 1 A 25 25 LYS CA C 25 59.440 59.159 0.281 1
1 196 . 2 1 1 A 25 25 LYS HA H 25 2.991 2.710 0.281 1
1 197 . 2 1 1 A 25 25 LYS CB C 25 31.645 31.791 -0.146 1
1 209 . 2 1 1 A 25 25 LYS C C 25 178.388 177.853 0.535 1
1 210 . 2 1 1 A 26 26 SER CA C 26 60.966 61.102 -0.136 1
1 211 . 2 1 1 A 26 26 SER HA H 26 4.070 4.076 -0.006 1
1 212 . 2 1 1 A 26 26 SER CB C 26 61.804 62.240 -0.436 1
1 215 . 2 1 1 A 26 26 SER C C 26 177.389 176.562 0.827 1
1 216 . 2 1 1 A 27 27 HIS N N 27 121.710 118.602 3.108 1
1 217 . 2 1 1 A 27 27 HIS H H 27 6.907 7.946 -1.039 1
1 218 . 2 1 1 A 27 27 HIS CA C 27 57.311 58.879 -1.568 1
1 219 . 2 1 1 A 27 27 HIS HA H 27 4.396 4.164 0.232 1
1 220 . 2 1 1 A 27 27 HIS CB C 27 31.623 29.760 1.863 1
1 227 . 2 1 1 A 27 27 HIS C C 27 178.263 177.358 0.905 1
1 228 . 2 1 1 A 28 28 LEU N N 28 122.374 120.565 1.809 1
1 229 . 2 1 1 A 28 28 LEU H H 28 7.041 7.481 -0.440 1
1 230 . 2 1 1 A 28 28 LEU CA C 28 57.786 57.821 -0.035 1
1 231 . 2 1 1 A 28 28 LEU HA H 28 3.137 3.312 -0.175 1
1 232 . 2 1 1 A 28 28 LEU CB C 28 40.116 41.768 -1.652 1
1 245 . 2 1 1 A 28 28 LEU C C 28 177.533 178.344 -0.811 1
1 246 . 2 1 1 A 29 29 ASN N N 29 117.551 116.065 1.486 1
1 247 . 2 1 1 A 29 29 ASN H H 29 8.313 8.321 -0.008 1
1 248 . 2 1 1 A 29 29 ASN CA C 29 56.172 56.540 -0.368 1
1 249 . 2 1 1 A 29 29 ASN HA H 29 4.289 4.431 -0.142 1
1 250 . 2 1 1 A 29 29 ASN CB C 29 37.474 38.106 -0.632 1
1 256 . 2 1 1 A 29 29 ASN C C 29 177.889 177.915 -0.026 1
1 257 . 2 1 1 A 30 30 ARG N N 30 119.042 119.317 -0.275 1
1 258 . 2 1 1 A 30 30 ARG H H 30 7.644 7.929 -0.285 1
1 259 . 2 1 1 A 30 30 ARG CA C 30 59.123 58.370 0.753 1
1 260 . 2 1 1 A 30 30 ARG HA H 30 4.021 4.140 -0.119 1
1 261 . 2 1 1 A 30 30 ARG CB C 30 30.220 30.744 -0.524 1
1 270 . 2 1 1 A 30 30 ARG C C 30 178.562 178.745 -0.183 1
1 271 . 2 1 1 A 31 31 HIS N N 31 119.736 119.682 0.054 1
1 272 . 2 1 1 A 31 31 HIS H H 31 7.693 8.242 -0.549 1
1 273 . 2 1 1 A 31 31 HIS CA C 31 59.093 59.852 -0.759 1
1 274 . 2 1 1 A 31 31 HIS HA H 31 4.219 4.016 0.203 1
1 275 . 2 1 1 A 31 31 HIS CB C 31 28.571 29.446 -0.875 1
1 282 . 2 1 1 A 31 31 HIS C C 31 176.193 176.693 -0.500 1
1 283 . 2 1 1 A 32 32 ARG N N 32 115.270 117.380 -2.110 1
1 284 . 2 1 1 A 32 32 ARG H H 32 8.284 8.088 0.196 1
1 285 . 2 1 1 A 32 32 ARG CA C 32 59.938 59.347 0.591 1
1 286 . 2 1 1 A 32 32 ARG HA H 32 3.690 3.753 -0.063 1
1 287 . 2 1 1 A 32 32 ARG CB C 32 29.938 29.950 -0.012 1
1 296 . 2 1 1 A 32 32 ARG C C 32 177.517 178.628 -1.111 1
1 297 . 2 1 1 A 33 33 ARG N N 33 117.230 117.187 0.043 1
1 298 . 2 1 1 A 33 33 ARG H H 33 7.078 8.565 -1.487 1
1 299 . 2 1 1 A 33 33 ARG CA C 33 58.344 58.634 -0.290 1
1 300 . 2 1 1 A 33 33 ARG HA H 33 4.161 4.039 0.122 1
1 301 . 2 1 1 A 33 33 ARG CB C 33 29.905 29.636 0.269 1
1 310 . 2 1 1 A 33 33 ARG C C 33 178.467 177.611 0.856 1
1 311 . 2 1 1 A 34 34 ILE N N 34 116.308 115.979 0.329 1
1 312 . 2 1 1 A 34 34 ILE H H 34 7.826 7.407 0.419 1
1 313 . 2 1 1 A 34 34 ILE CA C 34 63.103 64.242 -1.139 1
1 314 . 2 1 1 A 34 34 ILE HA H 34 3.988 3.728 0.260 1
1 315 . 2 1 1 A 34 34 ILE CB C 34 37.701 37.124 0.577 1
1 328 . 2 1 1 A 34 34 ILE C C 34 177.295 178.117 -0.822 1
1 329 . 2 1 1 A 35 35 HIS N N 35 117.638 119.994 -2.356 1
1 330 . 2 1 1 A 35 35 HIS H H 35 7.284 7.462 -0.178 1
1 331 . 2 1 1 A 35 35 HIS CA C 35 55.201 58.635 -3.434 1
1 332 . 2 1 1 A 35 35 HIS HA H 35 4.868 4.455 0.413 1
1 333 . 2 1 1 A 35 35 HIS CB C 35 28.625 30.446 -1.821 1
1 340 . 2 1 1 A 35 35 HIS C C 35 175.837 175.713 0.124 1
1 341 . 2 1 1 A 36 36 THR N N 36 111.405 109.967 1.438 1
1 342 . 2 1 1 A 36 36 THR H H 36 7.803 7.730 0.073 1
1 343 . 2 1 1 A 36 36 THR CA C 36 62.492 62.884 -0.392 1
1 344 . 2 1 1 A 36 36 THR HA H 36 4.364 4.162 0.202 1
1 345 . 2 1 1 A 36 36 THR CB C 36 69.845 68.271 1.574 1
1 351 . 2 1 1 A 36 36 THR C C 36 175.507 174.726 0.781 1
1 352 . 2 1 1 A 37 37 GLY N N 37 110.690 111.099 -0.409 1
1 353 . 2 1 1 A 37 37 GLY H H 37 8.232 8.211 0.021 1
1 354 . 2 1 1 A 37 37 GLY CA C 37 45.429 46.313 -0.884 1
1 355 . 2 1 1 A 37 37 GLY HA2 H 37 3.946 4.157 -0.211 1
1 356 . 2 1 1 A 37 37 GLY HA3 H 37 4.046 4.157 -0.111 1
1 357 . 2 1 1 A 37 37 GLY C C 37 174.088 172.831 1.257 1
1 358 . 2 1 1 A 38 38 GLU N N 38 120.568 122.957 -2.389 1
1 359 . 2 1 1 A 38 38 GLU H H 38 8.064 8.338 -0.274 1
1 360 . 2 1 1 A 38 38 GLU CA C 38 56.499 56.770 -0.271 1
1 361 . 2 1 1 A 38 38 GLU HA H 38 4.241 4.293 -0.052 1
1 362 . 2 1 1 A 38 38 GLU CB C 38 30.568 29.849 0.719 1
1 368 . 2 1 1 A 38 38 GLU C C 38 176.155 176.296 -0.141 1
1 369 . 2 1 1 A 39 39 LYS N N 39 123.848 119.591 4.257 1
1 370 . 2 1 1 A 39 39 LYS H H 39 8.425 8.506 -0.081 1
1 371 . 2 1 1 A 39 39 LYS CA C 39 54.028 55.629 -1.601 1
1 372 . 2 1 1 A 39 39 LYS HA H 39 4.608 4.252 0.356 1
1 373 . 2 1 1 A 39 39 LYS CB C 39 32.467 32.518 -0.051 1
1 385 . 2 1 1 A 39 39 LYS C C 39 174.487 176.752 -2.265 1
1 386 . 2 1 1 A 40 40 PRO CA C 40 63.260 64.587 -1.327 1
1 387 . 2 1 1 A 40 40 PRO HA H 40 4.467 4.363 0.104 1
1 388 . 2 1 1 A 40 40 PRO CB C 40 32.180 31.959 0.221 1
1 397 . 2 1 1 A 42 42 GLY CA C 42 44.682 44.617 0.065 1
1 398 . 2 1 1 A 42 42 GLY HA2 H 42 4.145 4.034 0.111 1
1 399 . 2 1 1 A 42 42 GLY HA3 H 42 4.145 4.034 0.111 1
1 400 . 2 1 1 A 43 43 PRO CA C 43 63.122 64.170 -1.048 1
1 401 . 2 1 1 A 43 43 PRO HA H 43 4.464 4.518 -0.054 1
1 402 . 2 1 1 A 43 43 PRO CB C 43 32.215 31.635 0.580 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.332 45.369 -0.037 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 3.946 3.920 0.026 1
1 3 . 3 1 1 A 9 9 GLY HA3 H 9 3.973 3.922 0.051 1
1 4 . 3 1 1 A 10 10 GLU N N 10 120.577 121.003 -0.426 1
1 5 . 3 1 1 A 10 10 GLU H H 10 8.220 8.320 -0.100 1
1 6 . 3 1 1 A 10 10 GLU CA C 10 56.615 57.300 -0.685 1
1 7 . 3 1 1 A 10 10 GLU HA H 10 4.230 3.985 0.245 1
1 8 . 3 1 1 A 10 10 GLU CB C 10 30.561 28.283 2.278 1
1 14 . 3 1 1 A 11 11 LYS N N 11 122.715 119.620 3.095 1
1 15 . 3 1 1 A 11 11 LYS H H 11 8.255 8.130 0.125 1
1 16 . 3 1 1 A 11 11 LYS CA C 11 53.967 54.045 -0.078 1
1 17 . 3 1 1 A 11 11 LYS HA H 11 4.542 4.434 0.108 1
1 18 . 3 1 1 A 11 11 LYS CB C 11 32.542 31.912 0.630 1
1 30 . 3 1 1 A 12 12 PRO CA C 12 63.013 64.938 -1.925 1
1 31 . 3 1 1 A 12 12 PRO HA H 12 4.338 4.292 0.046 1
1 32 . 3 1 1 A 12 12 PRO CB C 12 32.326 31.662 0.664 1
1 41 . 3 1 1 A 12 12 PRO C C 12 176.009 175.913 0.096 1
1 42 . 3 1 1 A 13 13 TYR N N 13 119.228 117.539 1.689 1
1 43 . 3 1 1 A 13 13 TYR H H 13 8.222 7.881 0.341 1
1 44 . 3 1 1 A 13 13 TYR CA C 13 57.803 57.360 0.443 1
1 45 . 3 1 1 A 13 13 TYR HA H 13 4.593 5.094 -0.501 1
1 46 . 3 1 1 A 13 13 TYR CB C 13 38.831 39.945 -1.114 1
1 57 . 3 1 1 A 13 13 TYR C C 13 174.614 175.623 -1.009 1
1 58 . 3 1 1 A 14 14 ILE N N 14 124.244 123.421 0.823 1
1 59 . 3 1 1 A 14 14 ILE H H 14 8.484 8.994 -0.510 1
1 60 . 3 1 1 A 14 14 ILE CA C 14 59.739 60.454 -0.715 1
1 61 . 3 1 1 A 14 14 ILE HA H 14 4.668 4.854 -0.186 1
1 62 . 3 1 1 A 14 14 ILE CB C 14 40.799 41.489 -0.690 1
1 75 . 3 1 1 A 14 14 ILE C C 14 175.726 175.261 0.465 1
1 76 . 3 1 1 A 15 15 CYS N N 15 128.675 126.050 2.625 1
1 77 . 3 1 1 A 15 15 CYS H H 15 9.226 9.144 0.082 1
1 78 . 3 1 1 A 15 15 CYS CA C 15 59.812 58.681 1.131 1
1 79 . 3 1 1 A 15 15 CYS HA H 15 4.528 4.726 -0.198 1
1 80 . 3 1 1 A 15 15 CYS CB C 15 29.505 27.486 2.019 1
1 83 . 3 1 1 A 15 15 CYS C C 15 176.706 175.780 0.926 1
1 84 . 3 1 1 A 16 16 ASN CA C 16 55.739 55.901 -0.162 1
1 85 . 3 1 1 A 16 16 ASN HA H 16 4.510 4.523 -0.013 1
1 86 . 3 1 1 A 16 16 ASN CB C 16 38.232 37.912 0.320 1
1 92 . 3 1 1 A 16 16 ASN C C 16 175.263 177.491 -2.228 1
1 93 . 3 1 1 A 17 17 GLU N N 17 120.356 120.673 -0.317 1
1 94 . 3 1 1 A 17 17 GLU H H 17 8.711 8.448 0.263 1
1 95 . 3 1 1 A 17 17 GLU CA C 17 58.912 58.908 0.004 1
1 96 . 3 1 1 A 17 17 GLU HA H 17 4.219 3.974 0.245 1
1 97 . 3 1 1 A 17 17 GLU CB C 17 29.263 28.730 0.533 1
1 103 . 3 1 1 A 17 17 GLU C C 17 177.266 178.173 -0.907 1
1 104 . 3 1 1 A 18 18 CYS N N 18 114.672 114.916 -0.244 1
1 105 . 3 1 1 A 18 18 CYS H H 18 7.905 8.007 -0.102 1
1 106 . 3 1 1 A 18 18 CYS CA C 18 58.496 59.735 -1.239 1
1 107 . 3 1 1 A 18 18 CYS HA H 18 5.190 4.659 0.531 1
1 108 . 3 1 1 A 18 18 CYS CB C 18 32.571 29.938 2.633 1
1 111 . 3 1 1 A 18 18 CYS C C 18 176.232 175.388 0.844 1
1 112 . 3 1 1 A 19 19 GLY N N 19 113.745 110.290 3.455 1
1 113 . 3 1 1 A 19 19 GLY H H 19 8.367 8.411 -0.044 1
1 114 . 3 1 1 A 19 19 GLY CA C 19 46.162 45.280 0.882 1
1 115 . 3 1 1 A 19 19 GLY HA2 H 19 3.760 4.054 -0.294 1
1 116 . 3 1 1 A 19 19 GLY HA3 H 19 4.235 4.058 0.177 1
1 117 . 3 1 1 A 19 19 GLY C C 19 173.727 174.033 -0.306 1
1 118 . 3 1 1 A 20 20 LYS N N 20 122.843 119.738 3.105 1
1 119 . 3 1 1 A 20 20 LYS H H 20 7.974 7.743 0.231 1
1 120 . 3 1 1 A 20 20 LYS CA C 20 58.181 54.028 4.153 1
1 121 . 3 1 1 A 20 20 LYS HA H 20 4.028 4.517 -0.489 1
1 122 . 3 1 1 A 20 20 LYS CB C 20 33.694 34.116 -0.422 1
1 134 . 3 1 1 A 20 20 LYS C C 20 173.876 175.143 -1.267 1
1 135 . 3 1 1 A 21 21 SER N N 21 115.076 114.522 0.554 1
1 136 . 3 1 1 A 21 21 SER H H 21 7.770 8.435 -0.665 1
1 137 . 3 1 1 A 21 21 SER CA C 21 56.403 55.799 0.604 1
1 138 . 3 1 1 A 21 21 SER HA H 21 5.275 5.230 0.045 1
1 139 . 3 1 1 A 21 21 SER CB C 21 66.263 65.788 0.475 1
1 142 . 3 1 1 A 21 21 SER C C 21 173.404 173.236 0.168 1
1 143 . 3 1 1 A 22 22 PHE N N 22 118.840 117.215 1.625 1
1 144 . 3 1 1 A 22 22 PHE H H 22 8.924 8.222 0.702 1
1 145 . 3 1 1 A 22 22 PHE CA C 22 57.316 56.553 0.763 1
1 146 . 3 1 1 A 22 22 PHE HA H 22 4.808 4.895 -0.087 1
1 147 . 3 1 1 A 22 22 PHE CB C 22 43.905 43.475 0.430 1
1 160 . 3 1 1 A 22 22 PHE C C 22 175.257 175.655 -0.398 1
1 161 . 3 1 1 A 23 23 ILE N N 23 119.405 122.020 -2.615 1
1 162 . 3 1 1 A 23 23 ILE H H 23 9.109 8.731 0.378 1
1 163 . 3 1 1 A 23 23 ILE CA C 23 62.857 62.541 0.316 1
1 164 . 3 1 1 A 23 23 ILE HA H 23 4.343 4.249 0.094 1
1 165 . 3 1 1 A 23 23 ILE CB C 23 38.939 38.795 0.144 1
1 178 . 3 1 1 A 23 23 ILE C C 23 176.088 176.049 0.039 1
1 179 . 3 1 1 A 24 24 GLN N N 24 114.920 120.613 -5.693 1
1 180 . 3 1 1 A 24 24 GLN H H 24 7.421 7.515 -0.094 1
1 181 . 3 1 1 A 24 24 GLN CA C 24 53.880 54.792 -0.912 1
1 182 . 3 1 1 A 24 24 GLN HA H 24 4.767 4.569 0.198 1
1 183 . 3 1 1 A 24 24 GLN CB C 24 31.063 30.134 0.929 1
1 192 . 3 1 1 A 24 24 GLN C C 24 176.179 176.388 -0.209 1
1 193 . 3 1 1 A 25 25 LYS N N 25 127.347 122.996 4.351 1
1 194 . 3 1 1 A 25 25 LYS H H 25 8.616 8.634 -0.018 1
1 195 . 3 1 1 A 25 25 LYS CA C 25 59.440 58.621 0.819 1
1 196 . 3 1 1 A 25 25 LYS HA H 25 2.991 2.946 0.045 1
1 197 . 3 1 1 A 25 25 LYS CB C 25 31.645 31.946 -0.301 1
1 209 . 3 1 1 A 25 25 LYS C C 25 178.388 178.225 0.163 1
1 210 . 3 1 1 A 26 26 SER CA C 26 60.966 61.228 -0.262 1
1 211 . 3 1 1 A 26 26 SER HA H 26 4.070 4.086 -0.016 1
1 212 . 3 1 1 A 26 26 SER CB C 26 61.804 62.244 -0.440 1
1 215 . 3 1 1 A 26 26 SER C C 26 177.389 176.983 0.406 1
1 216 . 3 1 1 A 27 27 HIS N N 27 121.710 118.803 2.907 1
1 217 . 3 1 1 A 27 27 HIS H H 27 6.907 8.130 -1.223 1
1 218 . 3 1 1 A 27 27 HIS CA C 27 57.311 58.813 -1.502 1
1 219 . 3 1 1 A 27 27 HIS HA H 27 4.396 4.218 0.178 1
1 220 . 3 1 1 A 27 27 HIS CB C 27 31.623 29.853 1.770 1
1 227 . 3 1 1 A 27 27 HIS C C 27 178.263 177.171 1.092 1
1 228 . 3 1 1 A 28 28 LEU N N 28 122.374 120.727 1.647 1
1 229 . 3 1 1 A 28 28 LEU H H 28 7.041 7.386 -0.345 1
1 230 . 3 1 1 A 28 28 LEU CA C 28 57.786 57.760 0.026 1
1 231 . 3 1 1 A 28 28 LEU HA H 28 3.137 2.706 0.431 1
1 232 . 3 1 1 A 28 28 LEU CB C 28 40.116 41.669 -1.553 1
1 245 . 3 1 1 A 28 28 LEU C C 28 177.533 177.873 -0.340 1
1 246 . 3 1 1 A 29 29 ASN N N 29 117.551 116.516 1.035 1
1 247 . 3 1 1 A 29 29 ASN H H 29 8.313 7.908 0.405 1
1 248 . 3 1 1 A 29 29 ASN CA C 29 56.172 56.462 -0.290 1
1 249 . 3 1 1 A 29 29 ASN HA H 29 4.289 4.348 -0.059 1
1 250 . 3 1 1 A 29 29 ASN CB C 29 37.474 39.380 -1.906 1
1 256 . 3 1 1 A 29 29 ASN C C 29 177.889 177.793 0.096 1
1 257 . 3 1 1 A 30 30 ARG N N 30 119.042 119.824 -0.782 1
1 258 . 3 1 1 A 30 30 ARG H H 30 7.644 8.248 -0.604 1
1 259 . 3 1 1 A 30 30 ARG CA C 30 59.123 59.057 0.066 1
1 260 . 3 1 1 A 30 30 ARG HA H 30 4.021 3.950 0.071 1
1 261 . 3 1 1 A 30 30 ARG CB C 30 30.220 30.023 0.197 1
1 270 . 3 1 1 A 30 30 ARG C C 30 178.562 178.106 0.456 1
1 271 . 3 1 1 A 31 31 HIS N N 31 119.736 119.424 0.312 1
1 272 . 3 1 1 A 31 31 HIS H H 31 7.693 8.253 -0.560 1
1 273 . 3 1 1 A 31 31 HIS CA C 31 59.093 59.796 -0.703 1
1 274 . 3 1 1 A 31 31 HIS HA H 31 4.219 4.045 0.174 1
1 275 . 3 1 1 A 31 31 HIS CB C 31 28.571 29.485 -0.914 1
1 282 . 3 1 1 A 31 31 HIS C C 31 176.193 176.501 -0.308 1
1 283 . 3 1 1 A 32 32 ARG N N 32 115.270 117.498 -2.228 1
1 284 . 3 1 1 A 32 32 ARG H H 32 8.284 8.117 0.167 1
1 285 . 3 1 1 A 32 32 ARG CA C 32 59.938 59.361 0.577 1
1 286 . 3 1 1 A 32 32 ARG HA H 32 3.690 3.777 -0.087 1
1 287 . 3 1 1 A 32 32 ARG CB C 32 29.938 30.058 -0.120 1
1 296 . 3 1 1 A 32 32 ARG C C 32 177.517 178.580 -1.063 1
1 297 . 3 1 1 A 33 33 ARG N N 33 117.230 117.195 0.035 1
1 298 . 3 1 1 A 33 33 ARG H H 33 7.078 8.595 -1.517 1
1 299 . 3 1 1 A 33 33 ARG CA C 33 58.344 58.555 -0.211 1
1 300 . 3 1 1 A 33 33 ARG HA H 33 4.161 4.029 0.132 1
1 301 . 3 1 1 A 33 33 ARG CB C 33 29.905 29.625 0.280 1
1 310 . 3 1 1 A 33 33 ARG C C 33 178.467 177.611 0.856 1
1 311 . 3 1 1 A 34 34 ILE N N 34 116.308 116.089 0.219 1
1 312 . 3 1 1 A 34 34 ILE H H 34 7.826 7.597 0.229 1
1 313 . 3 1 1 A 34 34 ILE CA C 34 63.103 64.051 -0.948 1
1 314 . 3 1 1 A 34 34 ILE HA H 34 3.988 3.674 0.314 1
1 315 . 3 1 1 A 34 34 ILE CB C 34 37.701 37.098 0.603 1
1 328 . 3 1 1 A 34 34 ILE C C 34 177.295 177.893 -0.598 1
1 329 . 3 1 1 A 35 35 HIS N N 35 117.638 119.712 -2.074 1
1 330 . 3 1 1 A 35 35 HIS H H 35 7.284 7.683 -0.399 1
1 331 . 3 1 1 A 35 35 HIS CA C 35 55.201 59.025 -3.824 1
1 332 . 3 1 1 A 35 35 HIS HA H 35 4.868 4.370 0.498 1
1 333 . 3 1 1 A 35 35 HIS CB C 35 28.625 31.192 -2.567 1
1 340 . 3 1 1 A 35 35 HIS C C 35 175.837 175.828 0.009 1
1 341 . 3 1 1 A 36 36 THR N N 36 111.405 112.139 -0.734 1
1 342 . 3 1 1 A 36 36 THR H H 36 7.803 7.869 -0.066 1
1 343 . 3 1 1 A 36 36 THR CA C 36 62.492 60.195 2.297 1
1 344 . 3 1 1 A 36 36 THR HA H 36 4.364 4.575 -0.211 1
1 345 . 3 1 1 A 36 36 THR CB C 36 69.845 69.982 -0.137 1
1 351 . 3 1 1 A 36 36 THR C C 36 175.507 173.451 2.056 1
1 352 . 3 1 1 A 37 37 GLY N N 37 110.690 115.483 -4.793 1
1 353 . 3 1 1 A 37 37 GLY H H 37 8.232 8.472 -0.240 1
1 354 . 3 1 1 A 37 37 GLY CA C 37 45.429 46.023 -0.594 1
1 355 . 3 1 1 A 37 37 GLY HA2 H 37 3.946 4.043 -0.097 1
1 356 . 3 1 1 A 37 37 GLY HA3 H 37 4.046 4.048 -0.002 1
1 357 . 3 1 1 A 37 37 GLY C C 37 174.088 174.496 -0.408 1
1 358 . 3 1 1 A 38 38 GLU N N 38 120.568 119.268 1.300 1
1 359 . 3 1 1 A 38 38 GLU H H 38 8.064 7.855 0.209 1
1 360 . 3 1 1 A 38 38 GLU CA C 38 56.499 56.081 0.418 1
1 361 . 3 1 1 A 38 38 GLU HA H 38 4.241 4.439 -0.198 1
1 362 . 3 1 1 A 38 38 GLU CB C 38 30.568 30.200 0.368 1
1 368 . 3 1 1 A 38 38 GLU C C 38 176.155 175.797 0.358 1
1 369 . 3 1 1 A 39 39 LYS N N 39 123.848 122.155 1.693 1
1 370 . 3 1 1 A 39 39 LYS H H 39 8.425 8.458 -0.033 1
1 371 . 3 1 1 A 39 39 LYS CA C 39 54.028 53.510 0.518 1
1 372 . 3 1 1 A 39 39 LYS HA H 39 4.608 4.686 -0.078 1
1 373 . 3 1 1 A 39 39 LYS CB C 39 32.467 32.075 0.392 1
1 385 . 3 1 1 A 39 39 LYS C C 39 174.487 174.673 -0.186 1
1 386 . 3 1 1 A 40 40 PRO CA C 40 63.260 62.633 0.627 1
1 387 . 3 1 1 A 40 40 PRO HA H 40 4.467 4.515 -0.048 1
1 388 . 3 1 1 A 40 40 PRO CB C 40 32.180 32.602 -0.422 1
1 397 . 3 1 1 A 42 42 GLY CA C 42 44.682 44.665 0.017 1
1 398 . 3 1 1 A 42 42 GLY HA2 H 42 4.145 4.024 0.121 1
1 399 . 3 1 1 A 42 42 GLY HA3 H 42 4.145 4.024 0.121 1
1 400 . 3 1 1 A 43 43 PRO CA C 43 63.122 62.368 0.754 1
1 401 . 3 1 1 A 43 43 PRO HA H 43 4.464 4.488 -0.024 1
1 402 . 3 1 1 A 43 43 PRO CB C 43 32.215 33.044 -0.829 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.332 45.493 -0.161 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 3.946 4.006 -0.060 1
1 3 . 4 1 1 A 9 9 GLY HA3 H 9 3.973 4.019 -0.046 1
1 4 . 4 1 1 A 10 10 GLU N N 10 120.577 121.079 -0.502 1
1 5 . 4 1 1 A 10 10 GLU H H 10 8.220 8.599 -0.379 1
1 6 . 4 1 1 A 10 10 GLU CA C 10 56.615 55.866 0.749 1
1 7 . 4 1 1 A 10 10 GLU HA H 10 4.230 4.543 -0.313 1
1 8 . 4 1 1 A 10 10 GLU CB C 10 30.561 29.424 1.137 1
1 14 . 4 1 1 A 11 11 LYS N N 11 122.715 120.652 2.063 1
1 15 . 4 1 1 A 11 11 LYS H H 11 8.255 7.260 0.995 1
1 16 . 4 1 1 A 11 11 LYS CA C 11 53.967 54.966 -0.999 1
1 17 . 4 1 1 A 11 11 LYS HA H 11 4.542 4.227 0.315 1
1 18 . 4 1 1 A 11 11 LYS CB C 11 32.542 31.927 0.615 1
1 30 . 4 1 1 A 12 12 PRO CA C 12 63.013 65.019 -2.006 1
1 31 . 4 1 1 A 12 12 PRO HA H 12 4.338 4.364 -0.026 1
1 32 . 4 1 1 A 12 12 PRO CB C 12 32.326 31.928 0.398 1
1 41 . 4 1 1 A 12 12 PRO C C 12 176.009 176.056 -0.047 1
1 42 . 4 1 1 A 13 13 TYR N N 13 119.228 117.881 1.347 1
1 43 . 4 1 1 A 13 13 TYR H H 13 8.222 7.463 0.759 1
1 44 . 4 1 1 A 13 13 TYR CA C 13 57.803 57.529 0.274 1
1 45 . 4 1 1 A 13 13 TYR HA H 13 4.593 4.902 -0.309 1
1 46 . 4 1 1 A 13 13 TYR CB C 13 38.831 39.430 -0.599 1
1 57 . 4 1 1 A 13 13 TYR C C 13 174.614 176.144 -1.530 1
1 58 . 4 1 1 A 14 14 ILE N N 14 124.244 123.308 0.936 1
1 59 . 4 1 1 A 14 14 ILE H H 14 8.484 8.838 -0.354 1
1 60 . 4 1 1 A 14 14 ILE CA C 14 59.739 60.300 -0.561 1
1 61 . 4 1 1 A 14 14 ILE HA H 14 4.668 5.040 -0.372 1
1 62 . 4 1 1 A 14 14 ILE CB C 14 40.799 41.341 -0.542 1
1 75 . 4 1 1 A 14 14 ILE C C 14 175.726 175.250 0.476 1
1 76 . 4 1 1 A 15 15 CYS N N 15 128.675 127.497 1.178 1
1 77 . 4 1 1 A 15 15 CYS H H 15 9.226 9.209 0.017 1
1 78 . 4 1 1 A 15 15 CYS CA C 15 59.812 60.324 -0.512 1
1 79 . 4 1 1 A 15 15 CYS HA H 15 4.528 4.504 0.024 1
1 80 . 4 1 1 A 15 15 CYS CB C 15 29.505 28.725 0.780 1
1 83 . 4 1 1 A 15 15 CYS C C 15 176.706 175.445 1.261 1
1 84 . 4 1 1 A 16 16 ASN CA C 16 55.739 53.247 2.492 1
1 85 . 4 1 1 A 16 16 ASN HA H 16 4.510 5.000 -0.490 1
1 86 . 4 1 1 A 16 16 ASN CB C 16 38.232 39.032 -0.800 1
1 92 . 4 1 1 A 16 16 ASN C C 16 175.263 175.731 -0.468 1
1 93 . 4 1 1 A 17 17 GLU N N 17 120.356 117.683 2.673 1
1 94 . 4 1 1 A 17 17 GLU H H 17 8.711 7.888 0.823 1
1 95 . 4 1 1 A 17 17 GLU CA C 17 58.912 57.027 1.885 1
1 96 . 4 1 1 A 17 17 GLU HA H 17 4.219 4.432 -0.213 1
1 97 . 4 1 1 A 17 17 GLU CB C 17 29.263 31.150 -1.887 1
1 103 . 4 1 1 A 17 17 GLU C C 17 177.266 177.952 -0.686 1
1 104 . 4 1 1 A 18 18 CYS N N 18 114.672 114.983 -0.311 1
1 105 . 4 1 1 A 18 18 CYS H H 18 7.905 8.117 -0.212 1
1 106 . 4 1 1 A 18 18 CYS CA C 18 58.496 59.358 -0.862 1
1 107 . 4 1 1 A 18 18 CYS HA H 18 5.190 4.663 0.527 1
1 108 . 4 1 1 A 18 18 CYS CB C 18 32.571 30.276 2.295 1
1 111 . 4 1 1 A 18 18 CYS C C 18 176.232 175.490 0.742 1
1 112 . 4 1 1 A 19 19 GLY N N 19 113.745 110.097 3.648 1
1 113 . 4 1 1 A 19 19 GLY H H 19 8.367 8.378 -0.011 1
1 114 . 4 1 1 A 19 19 GLY CA C 19 46.162 45.750 0.412 1
1 115 . 4 1 1 A 19 19 GLY HA2 H 19 3.760 3.997 -0.237 1
1 116 . 4 1 1 A 19 19 GLY HA3 H 19 4.235 4.009 0.226 1
1 117 . 4 1 1 A 19 19 GLY C C 19 173.727 174.089 -0.362 1
1 118 . 4 1 1 A 20 20 LYS N N 20 122.843 119.187 3.656 1
1 119 . 4 1 1 A 20 20 LYS H H 20 7.974 7.834 0.140 1
1 120 . 4 1 1 A 20 20 LYS CA C 20 58.181 54.086 4.095 1
1 121 . 4 1 1 A 20 20 LYS HA H 20 4.028 4.614 -0.586 1
1 122 . 4 1 1 A 20 20 LYS CB C 20 33.694 34.377 -0.683 1
1 134 . 4 1 1 A 20 20 LYS C C 20 173.876 175.428 -1.552 1
1 135 . 4 1 1 A 21 21 SER N N 21 115.076 115.642 -0.566 1
1 136 . 4 1 1 A 21 21 SER H H 21 7.770 8.239 -0.469 1
1 137 . 4 1 1 A 21 21 SER CA C 21 56.403 56.662 -0.259 1
1 138 . 4 1 1 A 21 21 SER HA H 21 5.275 5.528 -0.253 1
1 139 . 4 1 1 A 21 21 SER CB C 21 66.263 66.430 -0.167 1
1 142 . 4 1 1 A 21 21 SER C C 21 173.404 172.134 1.270 1
1 143 . 4 1 1 A 22 22 PHE N N 22 118.840 119.596 -0.756 1
1 144 . 4 1 1 A 22 22 PHE H H 22 8.924 8.383 0.541 1
1 145 . 4 1 1 A 22 22 PHE CA C 22 57.316 56.302 1.014 1
1 146 . 4 1 1 A 22 22 PHE HA H 22 4.808 4.835 -0.027 1
1 147 . 4 1 1 A 22 22 PHE CB C 22 43.905 43.980 -0.075 1
1 160 . 4 1 1 A 22 22 PHE C C 22 175.257 174.250 1.007 1
1 161 . 4 1 1 A 23 23 ILE N N 23 119.405 117.772 1.633 1
1 162 . 4 1 1 A 23 23 ILE H H 23 9.109 8.504 0.605 1
1 163 . 4 1 1 A 23 23 ILE CA C 23 62.857 60.826 2.031 1
1 164 . 4 1 1 A 23 23 ILE HA H 23 4.343 4.397 -0.054 1
1 165 . 4 1 1 A 23 23 ILE CB C 23 38.939 39.503 -0.564 1
1 178 . 4 1 1 A 23 23 ILE C C 23 176.088 175.340 0.748 1
1 179 . 4 1 1 A 24 24 GLN N N 24 114.920 122.445 -7.525 1
1 180 . 4 1 1 A 24 24 GLN H H 24 7.421 7.868 -0.447 1
1 181 . 4 1 1 A 24 24 GLN CA C 24 53.880 54.688 -0.808 1
1 182 . 4 1 1 A 24 24 GLN HA H 24 4.767 4.814 -0.047 1
1 183 . 4 1 1 A 24 24 GLN CB C 24 31.063 30.930 0.133 1
1 192 . 4 1 1 A 24 24 GLN C C 24 176.179 176.296 -0.117 1
1 193 . 4 1 1 A 25 25 LYS N N 25 127.347 127.277 0.070 1
1 194 . 4 1 1 A 25 25 LYS H H 25 8.616 8.982 -0.366 1
1 195 . 4 1 1 A 25 25 LYS CA C 25 59.440 59.996 -0.556 1
1 196 . 4 1 1 A 25 25 LYS HA H 25 2.991 3.601 -0.610 1
1 197 . 4 1 1 A 25 25 LYS CB C 25 31.645 31.968 -0.323 1
1 209 . 4 1 1 A 25 25 LYS C C 25 178.388 178.246 0.142 1
1 210 . 4 1 1 A 26 26 SER CA C 26 60.966 62.262 -1.296 1
1 211 . 4 1 1 A 26 26 SER HA H 26 4.070 4.120 -0.050 1
1 212 . 4 1 1 A 26 26 SER CB C 26 61.804 63.009 -1.205 1
1 215 . 4 1 1 A 26 26 SER C C 26 177.389 175.598 1.791 1
1 216 . 4 1 1 A 27 27 HIS N N 27 121.710 121.907 -0.197 1
1 217 . 4 1 1 A 27 27 HIS H H 27 6.907 7.891 -0.984 1
1 218 . 4 1 1 A 27 27 HIS CA C 27 57.311 60.094 -2.783 1
1 219 . 4 1 1 A 27 27 HIS HA H 27 4.396 4.084 0.312 1
1 220 . 4 1 1 A 27 27 HIS CB C 27 31.623 29.694 1.929 1
1 227 . 4 1 1 A 27 27 HIS C C 27 178.263 176.058 2.205 1
1 228 . 4 1 1 A 28 28 LEU N N 28 122.374 119.753 2.621 1
1 229 . 4 1 1 A 28 28 LEU H H 28 7.041 7.719 -0.678 1
1 230 . 4 1 1 A 28 28 LEU CA C 28 57.786 57.877 -0.091 1
1 231 . 4 1 1 A 28 28 LEU HA H 28 3.137 2.938 0.199 1
1 232 . 4 1 1 A 28 28 LEU CB C 28 40.116 41.622 -1.506 1
1 245 . 4 1 1 A 28 28 LEU C C 28 177.533 178.089 -0.556 1
1 246 . 4 1 1 A 29 29 ASN N N 29 117.551 117.094 0.457 1
1 247 . 4 1 1 A 29 29 ASN H H 29 8.313 8.244 0.069 1
1 248 . 4 1 1 A 29 29 ASN CA C 29 56.172 56.094 0.078 1
1 249 . 4 1 1 A 29 29 ASN HA H 29 4.289 4.475 -0.186 1
1 250 . 4 1 1 A 29 29 ASN CB C 29 37.474 39.276 -1.802 1
1 256 . 4 1 1 A 29 29 ASN C C 29 177.889 177.065 0.824 1
1 257 . 4 1 1 A 30 30 ARG N N 30 119.042 118.944 0.098 1
1 258 . 4 1 1 A 30 30 ARG H H 30 7.644 7.762 -0.118 1
1 259 . 4 1 1 A 30 30 ARG CA C 30 59.123 58.862 0.261 1
1 260 . 4 1 1 A 30 30 ARG HA H 30 4.021 4.060 -0.039 1
1 261 . 4 1 1 A 30 30 ARG CB C 30 30.220 30.462 -0.242 1
1 270 . 4 1 1 A 30 30 ARG C C 30 178.562 178.567 -0.005 1
1 271 . 4 1 1 A 31 31 HIS N N 31 119.736 119.450 0.286 1
1 272 . 4 1 1 A 31 31 HIS H H 31 7.693 8.304 -0.611 1
1 273 . 4 1 1 A 31 31 HIS CA C 31 59.093 59.926 -0.833 1
1 274 . 4 1 1 A 31 31 HIS HA H 31 4.219 4.057 0.162 1
1 275 . 4 1 1 A 31 31 HIS CB C 31 28.571 29.532 -0.961 1
1 282 . 4 1 1 A 31 31 HIS C C 31 176.193 176.723 -0.530 1
1 283 . 4 1 1 A 32 32 ARG N N 32 115.270 117.698 -2.428 1
1 284 . 4 1 1 A 32 32 ARG H H 32 8.284 8.338 -0.054 1
1 285 . 4 1 1 A 32 32 ARG CA C 32 59.938 59.272 0.666 1
1 286 . 4 1 1 A 32 32 ARG HA H 32 3.690 3.915 -0.225 1
1 287 . 4 1 1 A 32 32 ARG CB C 32 29.938 29.754 0.184 1
1 296 . 4 1 1 A 32 32 ARG C C 32 177.517 178.716 -1.199 1
1 297 . 4 1 1 A 33 33 ARG N N 33 117.230 117.552 -0.322 1
1 298 . 4 1 1 A 33 33 ARG H H 33 7.078 8.441 -1.363 1
1 299 . 4 1 1 A 33 33 ARG CA C 33 58.344 58.624 -0.280 1
1 300 . 4 1 1 A 33 33 ARG HA H 33 4.161 4.164 -0.003 1
1 301 . 4 1 1 A 33 33 ARG CB C 33 29.905 30.002 -0.097 1
1 310 . 4 1 1 A 33 33 ARG C C 33 178.467 177.638 0.829 1
1 311 . 4 1 1 A 34 34 ILE N N 34 116.308 115.893 0.415 1
1 312 . 4 1 1 A 34 34 ILE H H 34 7.826 7.570 0.256 1
1 313 . 4 1 1 A 34 34 ILE CA C 34 63.103 63.673 -0.570 1
1 314 . 4 1 1 A 34 34 ILE HA H 34 3.988 3.684 0.304 1
1 315 . 4 1 1 A 34 34 ILE CB C 34 37.701 37.072 0.629 1
1 328 . 4 1 1 A 34 34 ILE C C 34 177.295 177.189 0.106 1
1 329 . 4 1 1 A 35 35 HIS N N 35 117.638 119.009 -1.371 1
1 330 . 4 1 1 A 35 35 HIS H H 35 7.284 7.543 -0.259 1
1 331 . 4 1 1 A 35 35 HIS CA C 35 55.201 58.279 -3.078 1
1 332 . 4 1 1 A 35 35 HIS HA H 35 4.868 4.531 0.337 1
1 333 . 4 1 1 A 35 35 HIS CB C 35 28.625 30.660 -2.035 1
1 340 . 4 1 1 A 35 35 HIS C C 35 175.837 175.446 0.391 1
1 341 . 4 1 1 A 36 36 THR N N 36 111.405 110.760 0.645 1
1 342 . 4 1 1 A 36 36 THR H H 36 7.803 7.351 0.452 1
1 343 . 4 1 1 A 36 36 THR CA C 36 62.492 62.442 0.050 1
1 344 . 4 1 1 A 36 36 THR HA H 36 4.364 4.101 0.263 1
1 345 . 4 1 1 A 36 36 THR CB C 36 69.845 69.506 0.339 1
1 351 . 4 1 1 A 36 36 THR C C 36 175.507 174.420 1.087 1
1 352 . 4 1 1 A 37 37 GLY N N 37 110.690 108.751 1.939 1
1 353 . 4 1 1 A 37 37 GLY H H 37 8.232 8.649 -0.417 1
1 354 . 4 1 1 A 37 37 GLY CA C 37 45.429 44.426 1.003 1
1 355 . 4 1 1 A 37 37 GLY HA2 H 37 3.946 4.111 -0.165 1
1 356 . 4 1 1 A 37 37 GLY HA3 H 37 4.046 4.111 -0.065 1
1 357 . 4 1 1 A 37 37 GLY C C 37 174.088 172.371 1.717 1
1 358 . 4 1 1 A 38 38 GLU N N 38 120.568 120.112 0.456 1
1 359 . 4 1 1 A 38 38 GLU H H 38 8.064 8.455 -0.391 1
1 360 . 4 1 1 A 38 38 GLU CA C 38 56.499 56.618 -0.119 1
1 361 . 4 1 1 A 38 38 GLU HA H 38 4.241 4.441 -0.200 1
1 362 . 4 1 1 A 38 38 GLU CB C 38 30.568 30.344 0.224 1
1 368 . 4 1 1 A 38 38 GLU C C 38 176.155 175.536 0.619 1
1 369 . 4 1 1 A 39 39 LYS N N 39 123.848 125.321 -1.473 1
1 370 . 4 1 1 A 39 39 LYS H H 39 8.425 8.410 0.015 1
1 371 . 4 1 1 A 39 39 LYS CA C 39 54.028 53.000 1.028 1
1 372 . 4 1 1 A 39 39 LYS HA H 39 4.608 4.706 -0.098 1
1 373 . 4 1 1 A 39 39 LYS CB C 39 32.467 35.378 -2.911 1
1 385 . 4 1 1 A 39 39 LYS C C 39 174.487 175.867 -1.380 1
1 386 . 4 1 1 A 40 40 PRO CA C 40 63.260 64.144 -0.884 1
1 387 . 4 1 1 A 40 40 PRO HA H 40 4.467 4.450 0.017 1
1 388 . 4 1 1 A 40 40 PRO CB C 40 32.180 31.940 0.240 1
1 397 . 4 1 1 A 42 42 GLY CA C 42 44.682 45.390 -0.708 1
1 398 . 4 1 1 A 42 42 GLY HA2 H 42 4.145 4.071 0.074 1
1 399 . 4 1 1 A 42 42 GLY HA3 H 42 4.145 4.071 0.074 1
1 400 . 4 1 1 A 43 43 PRO CA C 43 63.122 64.084 -0.962 1
1 401 . 4 1 1 A 43 43 PRO HA H 43 4.464 4.472 -0.008 1
1 402 . 4 1 1 A 43 43 PRO CB C 43 32.215 31.735 0.480 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.332 44.803 0.529 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 3.946 4.220 -0.274 1
1 3 . 5 1 1 A 9 9 GLY HA3 H 9 3.973 4.226 -0.253 1
1 4 . 5 1 1 A 10 10 GLU N N 10 120.577 124.379 -3.802 1
1 5 . 5 1 1 A 10 10 GLU H H 10 8.220 8.866 -0.646 1
1 6 . 5 1 1 A 10 10 GLU CA C 10 56.615 55.322 1.293 1
1 7 . 5 1 1 A 10 10 GLU HA H 10 4.230 4.499 -0.269 1
1 8 . 5 1 1 A 10 10 GLU CB C 10 30.561 28.907 1.654 1
1 14 . 5 1 1 A 11 11 LYS N N 11 122.715 121.422 1.293 1
1 15 . 5 1 1 A 11 11 LYS H H 11 8.255 7.250 1.005 1
1 16 . 5 1 1 A 11 11 LYS CA C 11 53.967 54.082 -0.115 1
1 17 . 5 1 1 A 11 11 LYS HA H 11 4.542 4.398 0.144 1
1 18 . 5 1 1 A 11 11 LYS CB C 11 32.542 31.841 0.701 1
1 30 . 5 1 1 A 12 12 PRO CA C 12 63.013 64.955 -1.942 1
1 31 . 5 1 1 A 12 12 PRO HA H 12 4.338 4.255 0.083 1
1 32 . 5 1 1 A 12 12 PRO CB C 12 32.326 31.530 0.796 1
1 41 . 5 1 1 A 12 12 PRO C C 12 176.009 175.913 0.096 1
1 42 . 5 1 1 A 13 13 TYR N N 13 119.228 117.400 1.828 1
1 43 . 5 1 1 A 13 13 TYR H H 13 8.222 7.805 0.417 1
1 44 . 5 1 1 A 13 13 TYR CA C 13 57.803 57.354 0.449 1
1 45 . 5 1 1 A 13 13 TYR HA H 13 4.593 5.080 -0.487 1
1 46 . 5 1 1 A 13 13 TYR CB C 13 38.831 39.958 -1.127 1
1 57 . 5 1 1 A 13 13 TYR C C 13 174.614 175.188 -0.574 1
1 58 . 5 1 1 A 14 14 ILE N N 14 124.244 123.406 0.838 1
1 59 . 5 1 1 A 14 14 ILE H H 14 8.484 8.863 -0.379 1
1 60 . 5 1 1 A 14 14 ILE CA C 14 59.739 60.338 -0.599 1
1 61 . 5 1 1 A 14 14 ILE HA H 14 4.668 4.972 -0.304 1
1 62 . 5 1 1 A 14 14 ILE CB C 14 40.799 41.297 -0.498 1
1 75 . 5 1 1 A 14 14 ILE C C 14 175.726 175.176 0.550 1
1 76 . 5 1 1 A 15 15 CYS N N 15 128.675 127.218 1.457 1
1 77 . 5 1 1 A 15 15 CYS H H 15 9.226 9.463 -0.237 1
1 78 . 5 1 1 A 15 15 CYS CA C 15 59.812 59.932 -0.120 1
1 79 . 5 1 1 A 15 15 CYS HA H 15 4.528 4.578 -0.050 1
1 80 . 5 1 1 A 15 15 CYS CB C 15 29.505 28.037 1.468 1
1 83 . 5 1 1 A 15 15 CYS C C 15 176.706 176.152 0.554 1
1 84 . 5 1 1 A 16 16 ASN CA C 16 55.739 53.018 2.721 1
1 85 . 5 1 1 A 16 16 ASN HA H 16 4.510 4.878 -0.368 1
1 86 . 5 1 1 A 16 16 ASN CB C 16 38.232 39.376 -1.144 1
1 92 . 5 1 1 A 16 16 ASN C C 16 175.263 177.155 -1.892 1
1 93 . 5 1 1 A 17 17 GLU N N 17 120.356 119.634 0.722 1
1 94 . 5 1 1 A 17 17 GLU H H 17 8.711 7.659 1.052 1
1 95 . 5 1 1 A 17 17 GLU CA C 17 58.912 59.205 -0.293 1
1 96 . 5 1 1 A 17 17 GLU HA H 17 4.219 3.909 0.310 1
1 97 . 5 1 1 A 17 17 GLU CB C 17 29.263 29.138 0.125 1
1 103 . 5 1 1 A 17 17 GLU C C 17 177.266 177.951 -0.685 1
1 104 . 5 1 1 A 18 18 CYS N N 18 114.672 114.934 -0.262 1
1 105 . 5 1 1 A 18 18 CYS H H 18 7.905 7.908 -0.003 1
1 106 . 5 1 1 A 18 18 CYS CA C 18 58.496 59.393 -0.897 1
1 107 . 5 1 1 A 18 18 CYS HA H 18 5.190 4.696 0.494 1
1 108 . 5 1 1 A 18 18 CYS CB C 18 32.571 30.356 2.215 1
1 111 . 5 1 1 A 18 18 CYS C C 18 176.232 175.554 0.678 1
1 112 . 5 1 1 A 19 19 GLY N N 19 113.745 110.147 3.598 1
1 113 . 5 1 1 A 19 19 GLY H H 19 8.367 8.463 -0.096 1
1 114 . 5 1 1 A 19 19 GLY CA C 19 46.162 46.149 0.013 1
1 115 . 5 1 1 A 19 19 GLY HA2 H 19 3.760 4.000 -0.240 1
1 116 . 5 1 1 A 19 19 GLY HA3 H 19 4.235 4.009 0.226 1
1 117 . 5 1 1 A 19 19 GLY C C 19 173.727 174.296 -0.569 1
1 118 . 5 1 1 A 20 20 LYS N N 20 122.843 119.920 2.923 1
1 119 . 5 1 1 A 20 20 LYS H H 20 7.974 7.909 0.065 1
1 120 . 5 1 1 A 20 20 LYS CA C 20 58.181 54.328 3.853 1
1 121 . 5 1 1 A 20 20 LYS HA H 20 4.028 4.553 -0.525 1
1 122 . 5 1 1 A 20 20 LYS CB C 20 33.694 34.874 -1.180 1
1 134 . 5 1 1 A 20 20 LYS C C 20 173.876 175.073 -1.197 1
1 135 . 5 1 1 A 21 21 SER N N 21 115.076 119.821 -4.745 1
1 136 . 5 1 1 A 21 21 SER H H 21 7.770 8.588 -0.818 1
1 137 . 5 1 1 A 21 21 SER CA C 21 56.403 57.683 -1.280 1
1 138 . 5 1 1 A 21 21 SER HA H 21 5.275 5.199 0.076 1
1 139 . 5 1 1 A 21 21 SER CB C 21 66.263 64.744 1.519 1
1 142 . 5 1 1 A 21 21 SER C C 21 173.404 172.884 0.520 1
1 143 . 5 1 1 A 22 22 PHE N N 22 118.840 122.692 -3.852 1
1 144 . 5 1 1 A 22 22 PHE H H 22 8.924 9.203 -0.279 1
1 145 . 5 1 1 A 22 22 PHE CA C 22 57.316 56.560 0.756 1
1 146 . 5 1 1 A 22 22 PHE HA H 22 4.808 5.022 -0.214 1
1 147 . 5 1 1 A 22 22 PHE CB C 22 43.905 43.544 0.361 1
1 160 . 5 1 1 A 22 22 PHE C C 22 175.257 175.535 -0.278 1
1 161 . 5 1 1 A 23 23 ILE N N 23 119.405 117.805 1.600 1
1 162 . 5 1 1 A 23 23 ILE H H 23 9.109 8.628 0.481 1
1 163 . 5 1 1 A 23 23 ILE CA C 23 62.857 61.224 1.633 1
1 164 . 5 1 1 A 23 23 ILE HA H 23 4.343 4.614 -0.271 1
1 165 . 5 1 1 A 23 23 ILE CB C 23 38.939 39.958 -1.019 1
1 178 . 5 1 1 A 23 23 ILE C C 23 176.088 175.158 0.930 1
1 179 . 5 1 1 A 24 24 GLN N N 24 114.920 122.447 -7.527 1
1 180 . 5 1 1 A 24 24 GLN H H 24 7.421 7.848 -0.427 1
1 181 . 5 1 1 A 24 24 GLN CA C 24 53.880 54.364 -0.484 1
1 182 . 5 1 1 A 24 24 GLN HA H 24 4.767 4.470 0.297 1
1 183 . 5 1 1 A 24 24 GLN CB C 24 31.063 30.020 1.043 1
1 192 . 5 1 1 A 24 24 GLN C C 24 176.179 175.638 0.541 1
1 193 . 5 1 1 A 25 25 LYS N N 25 127.347 128.222 -0.875 1
1 194 . 5 1 1 A 25 25 LYS H H 25 8.616 8.776 -0.160 1
1 195 . 5 1 1 A 25 25 LYS CA C 25 59.440 59.198 0.242 1
1 196 . 5 1 1 A 25 25 LYS HA H 25 2.991 2.680 0.311 1
1 197 . 5 1 1 A 25 25 LYS CB C 25 31.645 31.545 0.100 1
1 209 . 5 1 1 A 25 25 LYS C C 25 178.388 177.513 0.875 1
1 210 . 5 1 1 A 26 26 SER CA C 26 60.966 61.214 -0.248 1
1 211 . 5 1 1 A 26 26 SER HA H 26 4.070 4.116 -0.046 1
1 212 . 5 1 1 A 26 26 SER CB C 26 61.804 62.945 -1.141 1
1 215 . 5 1 1 A 26 26 SER C C 26 177.389 177.073 0.316 1
1 216 . 5 1 1 A 27 27 HIS N N 27 121.710 119.571 2.139 1
1 217 . 5 1 1 A 27 27 HIS H H 27 6.907 8.014 -1.107 1
1 218 . 5 1 1 A 27 27 HIS CA C 27 57.311 58.659 -1.348 1
1 219 . 5 1 1 A 27 27 HIS HA H 27 4.396 4.170 0.226 1
1 220 . 5 1 1 A 27 27 HIS CB C 27 31.623 30.077 1.546 1
1 227 . 5 1 1 A 27 27 HIS C C 27 178.263 177.114 1.149 1
1 228 . 5 1 1 A 28 28 LEU N N 28 122.374 120.554 1.820 1
1 229 . 5 1 1 A 28 28 LEU H H 28 7.041 7.605 -0.564 1
1 230 . 5 1 1 A 28 28 LEU CA C 28 57.786 57.986 -0.200 1
1 231 . 5 1 1 A 28 28 LEU HA H 28 3.137 3.288 -0.151 1
1 232 . 5 1 1 A 28 28 LEU CB C 28 40.116 41.116 -1.000 1
1 245 . 5 1 1 A 28 28 LEU C C 28 177.533 178.428 -0.895 1
1 246 . 5 1 1 A 29 29 ASN N N 29 117.551 116.629 0.922 1
1 247 . 5 1 1 A 29 29 ASN H H 29 8.313 7.990 0.323 1
1 248 . 5 1 1 A 29 29 ASN CA C 29 56.172 56.295 -0.123 1
1 249 . 5 1 1 A 29 29 ASN HA H 29 4.289 4.468 -0.179 1
1 250 . 5 1 1 A 29 29 ASN CB C 29 37.474 38.827 -1.353 1
1 256 . 5 1 1 A 29 29 ASN C C 29 177.889 177.826 0.063 1
1 257 . 5 1 1 A 30 30 ARG N N 30 119.042 119.850 -0.808 1
1 258 . 5 1 1 A 30 30 ARG H H 30 7.644 8.089 -0.445 1
1 259 . 5 1 1 A 30 30 ARG CA C 30 59.123 58.302 0.821 1
1 260 . 5 1 1 A 30 30 ARG HA H 30 4.021 4.031 -0.010 1
1 261 . 5 1 1 A 30 30 ARG CB C 30 30.220 29.953 0.267 1
1 270 . 5 1 1 A 30 30 ARG C C 30 178.562 178.126 0.436 1
1 271 . 5 1 1 A 31 31 HIS N N 31 119.736 119.641 0.095 1
1 272 . 5 1 1 A 31 31 HIS H H 31 7.693 7.786 -0.093 1
1 273 . 5 1 1 A 31 31 HIS CA C 31 59.093 58.631 0.462 1
1 274 . 5 1 1 A 31 31 HIS HA H 31 4.219 4.277 -0.058 1
1 275 . 5 1 1 A 31 31 HIS CB C 31 28.571 30.193 -1.622 1
1 282 . 5 1 1 A 31 31 HIS C C 31 176.193 177.017 -0.824 1
1 283 . 5 1 1 A 32 32 ARG N N 32 115.270 118.351 -3.081 1
1 284 . 5 1 1 A 32 32 ARG H H 32 8.284 8.643 -0.359 1
1 285 . 5 1 1 A 32 32 ARG CA C 32 59.938 59.514 0.424 1
1 286 . 5 1 1 A 32 32 ARG HA H 32 3.690 3.942 -0.252 1
1 287 . 5 1 1 A 32 32 ARG CB C 32 29.938 29.673 0.265 1
1 296 . 5 1 1 A 32 32 ARG C C 32 177.517 178.662 -1.145 1
1 297 . 5 1 1 A 33 33 ARG N N 33 117.230 117.866 -0.636 1
1 298 . 5 1 1 A 33 33 ARG H H 33 7.078 8.100 -1.022 1
1 299 . 5 1 1 A 33 33 ARG CA C 33 58.344 58.733 -0.389 1
1 300 . 5 1 1 A 33 33 ARG HA H 33 4.161 4.186 -0.025 1
1 301 . 5 1 1 A 33 33 ARG CB C 33 29.905 30.024 -0.119 1
1 310 . 5 1 1 A 33 33 ARG C C 33 178.467 177.764 0.703 1
1 311 . 5 1 1 A 34 34 ILE N N 34 116.308 115.983 0.325 1
1 312 . 5 1 1 A 34 34 ILE H H 34 7.826 7.810 0.016 1
1 313 . 5 1 1 A 34 34 ILE CA C 34 63.103 64.167 -1.064 1
1 314 . 5 1 1 A 34 34 ILE HA H 34 3.988 3.674 0.314 1
1 315 . 5 1 1 A 34 34 ILE CB C 34 37.701 37.114 0.587 1
1 328 . 5 1 1 A 34 34 ILE C C 34 177.295 177.540 -0.245 1
1 329 . 5 1 1 A 35 35 HIS N N 35 117.638 119.481 -1.843 1
1 330 . 5 1 1 A 35 35 HIS H H 35 7.284 7.033 0.251 1
1 331 . 5 1 1 A 35 35 HIS CA C 35 55.201 58.658 -3.457 1
1 332 . 5 1 1 A 35 35 HIS HA H 35 4.868 4.453 0.415 1
1 333 . 5 1 1 A 35 35 HIS CB C 35 28.625 30.626 -2.001 1
1 340 . 5 1 1 A 35 35 HIS C C 35 175.837 175.480 0.357 1
1 341 . 5 1 1 A 36 36 THR N N 36 111.405 109.177 2.228 1
1 342 . 5 1 1 A 36 36 THR H H 36 7.803 7.418 0.385 1
1 343 . 5 1 1 A 36 36 THR CA C 36 62.492 63.481 -0.989 1
1 344 . 5 1 1 A 36 36 THR HA H 36 4.364 4.101 0.263 1
1 345 . 5 1 1 A 36 36 THR CB C 36 69.845 68.429 1.416 1
1 351 . 5 1 1 A 36 36 THR C C 36 175.507 174.977 0.530 1
1 352 . 5 1 1 A 37 37 GLY N N 37 110.690 113.036 -2.346 1
1 353 . 5 1 1 A 37 37 GLY H H 37 8.232 8.706 -0.474 1
1 354 . 5 1 1 A 37 37 GLY CA C 37 45.429 44.667 0.762 1
1 355 . 5 1 1 A 37 37 GLY HA2 H 37 3.946 4.083 -0.137 1
1 356 . 5 1 1 A 37 37 GLY HA3 H 37 4.046 4.089 -0.043 1
1 357 . 5 1 1 A 37 37 GLY C C 37 174.088 174.200 -0.112 1
1 358 . 5 1 1 A 38 38 GLU N N 38 120.568 118.723 1.845 1
1 359 . 5 1 1 A 38 38 GLU H H 38 8.064 8.858 -0.794 1
1 360 . 5 1 1 A 38 38 GLU CA C 38 56.499 57.555 -1.056 1
1 361 . 5 1 1 A 38 38 GLU HA H 38 4.241 3.854 0.387 1
1 362 . 5 1 1 A 38 38 GLU CB C 38 30.568 27.942 2.626 1
1 368 . 5 1 1 A 38 38 GLU C C 38 176.155 175.543 0.612 1
1 369 . 5 1 1 A 39 39 LYS N N 39 123.848 120.165 3.683 1
1 370 . 5 1 1 A 39 39 LYS H H 39 8.425 7.790 0.635 1
1 371 . 5 1 1 A 39 39 LYS CA C 39 54.028 54.505 -0.477 1
1 372 . 5 1 1 A 39 39 LYS HA H 39 4.608 4.361 0.247 1
1 373 . 5 1 1 A 39 39 LYS CB C 39 32.467 33.583 -1.116 1
1 385 . 5 1 1 A 39 39 LYS C C 39 174.487 175.063 -0.576 1
1 386 . 5 1 1 A 40 40 PRO CA C 40 63.260 62.602 0.658 1
1 387 . 5 1 1 A 40 40 PRO HA H 40 4.467 4.673 -0.206 1
1 388 . 5 1 1 A 40 40 PRO CB C 40 32.180 32.827 -0.647 1
1 397 . 5 1 1 A 42 42 GLY CA C 42 44.682 45.377 -0.695 1
1 398 . 5 1 1 A 42 42 GLY HA2 H 42 4.145 4.288 -0.143 1
1 399 . 5 1 1 A 42 42 GLY HA3 H 42 4.145 4.293 -0.148 1
1 400 . 5 1 1 A 43 43 PRO CA C 43 63.122 62.305 0.817 1
1 401 . 5 1 1 A 43 43 PRO HA H 43 4.464 4.743 -0.279 1
1 402 . 5 1 1 A 43 43 PRO CB C 43 32.215 29.528 2.687 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.332 45.619 -0.287 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 3.946 4.265 -0.319 1
1 3 . 6 1 1 A 9 9 GLY HA3 H 9 3.973 4.266 -0.293 1
1 4 . 6 1 1 A 10 10 GLU N N 10 120.577 119.876 0.701 1
1 5 . 6 1 1 A 10 10 GLU H H 10 8.220 8.791 -0.571 1
1 6 . 6 1 1 A 10 10 GLU CA C 10 56.615 55.324 1.291 1
1 7 . 6 1 1 A 10 10 GLU HA H 10 4.230 4.850 -0.620 1
1 8 . 6 1 1 A 10 10 GLU CB C 10 30.561 29.758 0.803 1
1 14 . 6 1 1 A 11 11 LYS N N 11 122.715 124.758 -2.043 1
1 15 . 6 1 1 A 11 11 LYS H H 11 8.255 8.074 0.181 1
1 16 . 6 1 1 A 11 11 LYS CA C 11 53.967 53.391 0.576 1
1 17 . 6 1 1 A 11 11 LYS HA H 11 4.542 4.680 -0.138 1
1 18 . 6 1 1 A 11 11 LYS CB C 11 32.542 32.751 -0.209 1
1 30 . 6 1 1 A 12 12 PRO CA C 12 63.013 64.943 -1.930 1
1 31 . 6 1 1 A 12 12 PRO HA H 12 4.338 4.247 0.091 1
1 32 . 6 1 1 A 12 12 PRO CB C 12 32.326 31.564 0.762 1
1 41 . 6 1 1 A 12 12 PRO C C 12 176.009 175.856 0.153 1
1 42 . 6 1 1 A 13 13 TYR N N 13 119.228 117.322 1.906 1
1 43 . 6 1 1 A 13 13 TYR H H 13 8.222 7.683 0.539 1
1 44 . 6 1 1 A 13 13 TYR CA C 13 57.803 57.133 0.670 1
1 45 . 6 1 1 A 13 13 TYR HA H 13 4.593 5.374 -0.781 1
1 46 . 6 1 1 A 13 13 TYR CB C 13 38.831 41.173 -2.342 1
1 57 . 6 1 1 A 13 13 TYR C C 13 174.614 175.002 -0.388 1
1 58 . 6 1 1 A 14 14 ILE N N 14 124.244 123.634 0.610 1
1 59 . 6 1 1 A 14 14 ILE H H 14 8.484 8.991 -0.507 1
1 60 . 6 1 1 A 14 14 ILE CA C 14 59.739 60.157 -0.418 1
1 61 . 6 1 1 A 14 14 ILE HA H 14 4.668 4.769 -0.101 1
1 62 . 6 1 1 A 14 14 ILE CB C 14 40.799 42.024 -1.225 1
1 75 . 6 1 1 A 14 14 ILE C C 14 175.726 175.126 0.600 1
1 76 . 6 1 1 A 15 15 CYS N N 15 128.675 127.759 0.916 1
1 77 . 6 1 1 A 15 15 CYS H H 15 9.226 9.005 0.221 1
1 78 . 6 1 1 A 15 15 CYS CA C 15 59.812 59.975 -0.163 1
1 79 . 6 1 1 A 15 15 CYS HA H 15 4.528 4.629 -0.101 1
1 80 . 6 1 1 A 15 15 CYS CB C 15 29.505 28.382 1.123 1
1 83 . 6 1 1 A 15 15 CYS C C 15 176.706 175.134 1.572 1
1 84 . 6 1 1 A 16 16 ASN CA C 16 55.739 53.886 1.853 1
1 85 . 6 1 1 A 16 16 ASN HA H 16 4.510 4.933 -0.423 1
1 86 . 6 1 1 A 16 16 ASN CB C 16 38.232 39.112 -0.880 1
1 92 . 6 1 1 A 16 16 ASN C C 16 175.263 176.217 -0.954 1
1 93 . 6 1 1 A 17 17 GLU N N 17 120.356 118.697 1.659 1
1 94 . 6 1 1 A 17 17 GLU H H 17 8.711 7.654 1.057 1
1 95 . 6 1 1 A 17 17 GLU CA C 17 58.912 58.879 0.033 1
1 96 . 6 1 1 A 17 17 GLU HA H 17 4.219 4.035 0.184 1
1 97 . 6 1 1 A 17 17 GLU CB C 17 29.263 29.791 -0.528 1
1 103 . 6 1 1 A 17 17 GLU C C 17 177.266 177.668 -0.402 1
1 104 . 6 1 1 A 18 18 CYS N N 18 114.672 115.145 -0.473 1
1 105 . 6 1 1 A 18 18 CYS H H 18 7.905 7.933 -0.028 1
1 106 . 6 1 1 A 18 18 CYS CA C 18 58.496 59.514 -1.018 1
1 107 . 6 1 1 A 18 18 CYS HA H 18 5.190 4.648 0.542 1
1 108 . 6 1 1 A 18 18 CYS CB C 18 32.571 30.160 2.411 1
1 111 . 6 1 1 A 18 18 CYS C C 18 176.232 175.457 0.775 1
1 112 . 6 1 1 A 19 19 GLY N N 19 113.745 110.385 3.360 1
1 113 . 6 1 1 A 19 19 GLY H H 19 8.367 8.260 0.107 1
1 114 . 6 1 1 A 19 19 GLY CA C 19 46.162 45.369 0.793 1
1 115 . 6 1 1 A 19 19 GLY HA2 H 19 3.760 4.050 -0.290 1
1 116 . 6 1 1 A 19 19 GLY HA3 H 19 4.235 4.063 0.172 1
1 117 . 6 1 1 A 19 19 GLY C C 19 173.727 174.323 -0.596 1
1 118 . 6 1 1 A 20 20 LYS N N 20 122.843 119.401 3.442 1
1 119 . 6 1 1 A 20 20 LYS H H 20 7.974 7.969 0.005 1
1 120 . 6 1 1 A 20 20 LYS CA C 20 58.181 54.925 3.256 1
1 121 . 6 1 1 A 20 20 LYS HA H 20 4.028 4.557 -0.529 1
1 122 . 6 1 1 A 20 20 LYS CB C 20 33.694 34.195 -0.501 1
1 134 . 6 1 1 A 20 20 LYS C C 20 173.876 175.026 -1.150 1
1 135 . 6 1 1 A 21 21 SER N N 21 115.076 112.261 2.815 1
1 136 . 6 1 1 A 21 21 SER H H 21 7.770 8.437 -0.667 1
1 137 . 6 1 1 A 21 21 SER CA C 21 56.403 55.923 0.480 1
1 138 . 6 1 1 A 21 21 SER HA H 21 5.275 5.435 -0.160 1
1 139 . 6 1 1 A 21 21 SER CB C 21 66.263 66.313 -0.050 1
1 142 . 6 1 1 A 21 21 SER C C 21 173.404 172.892 0.512 1
1 143 . 6 1 1 A 22 22 PHE N N 22 118.840 117.702 1.138 1
1 144 . 6 1 1 A 22 22 PHE H H 22 8.924 8.542 0.382 1
1 145 . 6 1 1 A 22 22 PHE CA C 22 57.316 56.376 0.940 1
1 146 . 6 1 1 A 22 22 PHE HA H 22 4.808 4.955 -0.147 1
1 147 . 6 1 1 A 22 22 PHE CB C 22 43.905 43.562 0.343 1
1 160 . 6 1 1 A 22 22 PHE C C 22 175.257 175.668 -0.411 1
1 161 . 6 1 1 A 23 23 ILE N N 23 119.405 121.036 -1.631 1
1 162 . 6 1 1 A 23 23 ILE H H 23 9.109 8.826 0.283 1
1 163 . 6 1 1 A 23 23 ILE CA C 23 62.857 62.406 0.451 1
1 164 . 6 1 1 A 23 23 ILE HA H 23 4.343 4.314 0.029 1
1 165 . 6 1 1 A 23 23 ILE CB C 23 38.939 38.698 0.241 1
1 178 . 6 1 1 A 23 23 ILE C C 23 176.088 176.092 -0.004 1
1 179 . 6 1 1 A 24 24 GLN N N 24 114.920 120.334 -5.414 1
1 180 . 6 1 1 A 24 24 GLN H H 24 7.421 7.475 -0.054 1
1 181 . 6 1 1 A 24 24 GLN CA C 24 53.880 54.709 -0.829 1
1 182 . 6 1 1 A 24 24 GLN HA H 24 4.767 4.524 0.243 1
1 183 . 6 1 1 A 24 24 GLN CB C 24 31.063 30.134 0.929 1
1 192 . 6 1 1 A 24 24 GLN C C 24 176.179 175.790 0.389 1
1 193 . 6 1 1 A 25 25 LYS N N 25 127.347 125.294 2.053 1
1 194 . 6 1 1 A 25 25 LYS H H 25 8.616 8.657 -0.041 1
1 195 . 6 1 1 A 25 25 LYS CA C 25 59.440 59.641 -0.201 1
1 196 . 6 1 1 A 25 25 LYS HA H 25 2.991 2.679 0.312 1
1 197 . 6 1 1 A 25 25 LYS CB C 25 31.645 32.053 -0.408 1
1 209 . 6 1 1 A 25 25 LYS C C 25 178.388 177.653 0.735 1
1 210 . 6 1 1 A 26 26 SER CA C 26 60.966 61.333 -0.367 1
1 211 . 6 1 1 A 26 26 SER HA H 26 4.070 4.110 -0.040 1
1 212 . 6 1 1 A 26 26 SER CB C 26 61.804 63.167 -1.363 1
1 215 . 6 1 1 A 26 26 SER C C 26 177.389 177.260 0.129 1
1 216 . 6 1 1 A 27 27 HIS N N 27 121.710 119.640 2.070 1
1 217 . 6 1 1 A 27 27 HIS H H 27 6.907 7.920 -1.013 1
1 218 . 6 1 1 A 27 27 HIS CA C 27 57.311 58.617 -1.306 1
1 219 . 6 1 1 A 27 27 HIS HA H 27 4.396 4.282 0.114 1
1 220 . 6 1 1 A 27 27 HIS CB C 27 31.623 29.653 1.970 1
1 227 . 6 1 1 A 27 27 HIS C C 27 178.263 177.304 0.959 1
1 228 . 6 1 1 A 28 28 LEU N N 28 122.374 120.799 1.575 1
1 229 . 6 1 1 A 28 28 LEU H H 28 7.041 7.879 -0.838 1
1 230 . 6 1 1 A 28 28 LEU CA C 28 57.786 57.468 0.318 1
1 231 . 6 1 1 A 28 28 LEU HA H 28 3.137 3.164 -0.027 1
1 232 . 6 1 1 A 28 28 LEU CB C 28 40.116 41.827 -1.711 1
1 245 . 6 1 1 A 28 28 LEU C C 28 177.533 178.385 -0.852 1
1 246 . 6 1 1 A 29 29 ASN N N 29 117.551 116.368 1.183 1
1 247 . 6 1 1 A 29 29 ASN H H 29 8.313 8.356 -0.043 1
1 248 . 6 1 1 A 29 29 ASN CA C 29 56.172 56.386 -0.214 1
1 249 . 6 1 1 A 29 29 ASN HA H 29 4.289 4.334 -0.045 1
1 250 . 6 1 1 A 29 29 ASN CB C 29 37.474 38.052 -0.578 1
1 256 . 6 1 1 A 29 29 ASN C C 29 177.889 177.760 0.129 1
1 257 . 6 1 1 A 30 30 ARG N N 30 119.042 118.398 0.644 1
1 258 . 6 1 1 A 30 30 ARG H H 30 7.644 8.222 -0.578 1
1 259 . 6 1 1 A 30 30 ARG CA C 30 59.123 58.874 0.249 1
1 260 . 6 1 1 A 30 30 ARG HA H 30 4.021 4.033 -0.012 1
1 261 . 6 1 1 A 30 30 ARG CB C 30 30.220 29.768 0.452 1
1 270 . 6 1 1 A 30 30 ARG C C 30 178.562 178.360 0.202 1
1 271 . 6 1 1 A 31 31 HIS N N 31 119.736 120.272 -0.536 1
1 272 . 6 1 1 A 31 31 HIS H H 31 7.693 7.869 -0.176 1
1 273 . 6 1 1 A 31 31 HIS CA C 31 59.093 59.952 -0.859 1
1 274 . 6 1 1 A 31 31 HIS HA H 31 4.219 4.152 0.067 1
1 275 . 6 1 1 A 31 31 HIS CB C 31 28.571 29.368 -0.797 1
1 282 . 6 1 1 A 31 31 HIS C C 31 176.193 177.148 -0.955 1
1 283 . 6 1 1 A 32 32 ARG N N 32 115.270 117.914 -2.644 1
1 284 . 6 1 1 A 32 32 ARG H H 32 8.284 8.247 0.037 1
1 285 . 6 1 1 A 32 32 ARG CA C 32 59.938 59.265 0.673 1
1 286 . 6 1 1 A 32 32 ARG HA H 32 3.690 3.779 -0.089 1
1 287 . 6 1 1 A 32 32 ARG CB C 32 29.938 29.756 0.182 1
1 296 . 6 1 1 A 32 32 ARG C C 32 177.517 178.455 -0.938 1
1 297 . 6 1 1 A 33 33 ARG N N 33 117.230 117.285 -0.055 1
1 298 . 6 1 1 A 33 33 ARG H H 33 7.078 7.966 -0.888 1
1 299 . 6 1 1 A 33 33 ARG CA C 33 58.344 58.559 -0.215 1
1 300 . 6 1 1 A 33 33 ARG HA H 33 4.161 4.122 0.039 1
1 301 . 6 1 1 A 33 33 ARG CB C 33 29.905 29.639 0.266 1
1 310 . 6 1 1 A 33 33 ARG C C 33 178.467 177.643 0.824 1
1 311 . 6 1 1 A 34 34 ILE N N 34 116.308 116.180 0.128 1
1 312 . 6 1 1 A 34 34 ILE H H 34 7.826 7.432 0.394 1
1 313 . 6 1 1 A 34 34 ILE CA C 34 63.103 64.163 -1.060 1
1 314 . 6 1 1 A 34 34 ILE HA H 34 3.988 3.700 0.288 1
1 315 . 6 1 1 A 34 34 ILE CB C 34 37.701 37.247 0.454 1
1 328 . 6 1 1 A 34 34 ILE C C 34 177.295 178.030 -0.735 1
1 329 . 6 1 1 A 35 35 HIS N N 35 117.638 119.976 -2.338 1
1 330 . 6 1 1 A 35 35 HIS H H 35 7.284 7.253 0.031 1
1 331 . 6 1 1 A 35 35 HIS CA C 35 55.201 59.561 -4.360 1
1 332 . 6 1 1 A 35 35 HIS HA H 35 4.868 4.357 0.511 1
1 333 . 6 1 1 A 35 35 HIS CB C 35 28.625 29.931 -1.306 1
1 340 . 6 1 1 A 35 35 HIS C C 35 175.837 175.749 0.088 1
1 341 . 6 1 1 A 36 36 THR N N 36 111.405 111.601 -0.196 1
1 342 . 6 1 1 A 36 36 THR H H 36 7.803 7.559 0.244 1
1 343 . 6 1 1 A 36 36 THR CA C 36 62.492 61.905 0.587 1
1 344 . 6 1 1 A 36 36 THR HA H 36 4.364 4.315 0.049 1
1 345 . 6 1 1 A 36 36 THR CB C 36 69.845 68.647 1.198 1
1 351 . 6 1 1 A 36 36 THR C C 36 175.507 175.094 0.413 1
1 352 . 6 1 1 A 37 37 GLY N N 37 110.690 111.381 -0.691 1
1 353 . 6 1 1 A 37 37 GLY H H 37 8.232 8.594 -0.362 1
1 354 . 6 1 1 A 37 37 GLY CA C 37 45.429 43.974 1.455 1
1 355 . 6 1 1 A 37 37 GLY HA2 H 37 3.946 4.137 -0.191 1
1 356 . 6 1 1 A 37 37 GLY HA3 H 37 4.046 4.147 -0.101 1
1 357 . 6 1 1 A 37 37 GLY C C 37 174.088 173.333 0.755 1
1 358 . 6 1 1 A 38 38 GLU N N 38 120.568 121.834 -1.266 1
1 359 . 6 1 1 A 38 38 GLU H H 38 8.064 8.511 -0.447 1
1 360 . 6 1 1 A 38 38 GLU CA C 38 56.499 55.575 0.924 1
1 361 . 6 1 1 A 38 38 GLU HA H 38 4.241 4.466 -0.225 1
1 362 . 6 1 1 A 38 38 GLU CB C 38 30.568 28.663 1.905 1
1 368 . 6 1 1 A 38 38 GLU C C 38 176.155 175.261 0.894 1
1 369 . 6 1 1 A 39 39 LYS N N 39 123.848 123.322 0.526 1
1 370 . 6 1 1 A 39 39 LYS H H 39 8.425 7.384 1.041 1
1 371 . 6 1 1 A 39 39 LYS CA C 39 54.028 54.204 -0.176 1
1 372 . 6 1 1 A 39 39 LYS HA H 39 4.608 4.581 0.027 1
1 373 . 6 1 1 A 39 39 LYS CB C 39 32.467 35.503 -3.036 1
1 385 . 6 1 1 A 39 39 LYS C C 39 174.487 173.499 0.988 1
1 386 . 6 1 1 A 40 40 PRO CA C 40 63.260 62.608 0.652 1
1 387 . 6 1 1 A 40 40 PRO HA H 40 4.467 4.717 -0.250 1
1 388 . 6 1 1 A 40 40 PRO CB C 40 32.180 30.587 1.593 1
1 397 . 6 1 1 A 42 42 GLY CA C 42 44.682 45.832 -1.150 1
1 398 . 6 1 1 A 42 42 GLY HA2 H 42 4.145 4.061 0.084 1
1 399 . 6 1 1 A 42 42 GLY HA3 H 42 4.145 4.061 0.084 1
1 400 . 6 1 1 A 43 43 PRO CA C 43 63.122 65.063 -1.941 1
1 401 . 6 1 1 A 43 43 PRO HA H 43 4.464 4.330 0.134 1
1 402 . 6 1 1 A 43 43 PRO CB C 43 32.215 31.119 1.096 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.332 44.219 1.113 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 3.946 4.184 -0.238 1
1 3 . 7 1 1 A 9 9 GLY HA3 H 9 3.973 4.185 -0.212 1
1 4 . 7 1 1 A 10 10 GLU N N 10 120.577 117.690 2.887 1
1 5 . 7 1 1 A 10 10 GLU H H 10 8.220 8.378 -0.158 1
1 6 . 7 1 1 A 10 10 GLU CA C 10 56.615 55.742 0.873 1
1 7 . 7 1 1 A 10 10 GLU HA H 10 4.230 4.592 -0.362 1
1 8 . 7 1 1 A 10 10 GLU CB C 10 30.561 29.380 1.181 1
1 14 . 7 1 1 A 11 11 LYS N N 11 122.715 125.221 -2.506 1
1 15 . 7 1 1 A 11 11 LYS H H 11 8.255 8.372 -0.117 1
1 16 . 7 1 1 A 11 11 LYS CA C 11 53.967 52.927 1.040 1
1 17 . 7 1 1 A 11 11 LYS HA H 11 4.542 4.815 -0.273 1
1 18 . 7 1 1 A 11 11 LYS CB C 11 32.542 33.705 -1.163 1
1 30 . 7 1 1 A 12 12 PRO CA C 12 63.013 64.734 -1.721 1
1 31 . 7 1 1 A 12 12 PRO HA H 12 4.338 4.301 0.037 1
1 32 . 7 1 1 A 12 12 PRO CB C 12 32.326 31.634 0.692 1
1 41 . 7 1 1 A 12 12 PRO C C 12 176.009 175.826 0.183 1
1 42 . 7 1 1 A 13 13 TYR N N 13 119.228 117.537 1.691 1
1 43 . 7 1 1 A 13 13 TYR H H 13 8.222 7.737 0.485 1
1 44 . 7 1 1 A 13 13 TYR CA C 13 57.803 57.422 0.381 1
1 45 . 7 1 1 A 13 13 TYR HA H 13 4.593 4.834 -0.241 1
1 46 . 7 1 1 A 13 13 TYR CB C 13 38.831 38.679 0.152 1
1 57 . 7 1 1 A 13 13 TYR C C 13 174.614 175.597 -0.983 1
1 58 . 7 1 1 A 14 14 ILE N N 14 124.244 123.865 0.379 1
1 59 . 7 1 1 A 14 14 ILE H H 14 8.484 8.924 -0.440 1
1 60 . 7 1 1 A 14 14 ILE CA C 14 59.739 60.280 -0.541 1
1 61 . 7 1 1 A 14 14 ILE HA H 14 4.668 5.003 -0.335 1
1 62 . 7 1 1 A 14 14 ILE CB C 14 40.799 41.264 -0.465 1
1 75 . 7 1 1 A 14 14 ILE C C 14 175.726 175.364 0.362 1
1 76 . 7 1 1 A 15 15 CYS N N 15 128.675 126.659 2.016 1
1 77 . 7 1 1 A 15 15 CYS H H 15 9.226 8.772 0.454 1
1 78 . 7 1 1 A 15 15 CYS CA C 15 59.812 59.231 0.581 1
1 79 . 7 1 1 A 15 15 CYS HA H 15 4.528 4.626 -0.098 1
1 80 . 7 1 1 A 15 15 CYS CB C 15 29.505 27.953 1.552 1
1 83 . 7 1 1 A 15 15 CYS C C 15 176.706 175.717 0.989 1
1 84 . 7 1 1 A 16 16 ASN CA C 16 55.739 56.111 -0.372 1
1 85 . 7 1 1 A 16 16 ASN HA H 16 4.510 4.517 -0.007 1
1 86 . 7 1 1 A 16 16 ASN CB C 16 38.232 37.957 0.275 1
1 92 . 7 1 1 A 16 16 ASN C C 16 175.263 177.666 -2.403 1
1 93 . 7 1 1 A 17 17 GLU N N 17 120.356 120.815 -0.459 1
1 94 . 7 1 1 A 17 17 GLU H H 17 8.711 8.452 0.259 1
1 95 . 7 1 1 A 17 17 GLU CA C 17 58.912 58.999 -0.087 1
1 96 . 7 1 1 A 17 17 GLU HA H 17 4.219 4.012 0.207 1
1 97 . 7 1 1 A 17 17 GLU CB C 17 29.263 28.823 0.440 1
1 103 . 7 1 1 A 17 17 GLU C C 17 177.266 178.128 -0.862 1
1 104 . 7 1 1 A 18 18 CYS N N 18 114.672 114.934 -0.262 1
1 105 . 7 1 1 A 18 18 CYS H H 18 7.905 7.900 0.005 1
1 106 . 7 1 1 A 18 18 CYS CA C 18 58.496 59.612 -1.116 1
1 107 . 7 1 1 A 18 18 CYS HA H 18 5.190 4.589 0.601 1
1 108 . 7 1 1 A 18 18 CYS CB C 18 32.571 29.621 2.950 1
1 111 . 7 1 1 A 18 18 CYS C C 18 176.232 175.276 0.956 1
1 112 . 7 1 1 A 19 19 GLY N N 19 113.745 110.225 3.520 1
1 113 . 7 1 1 A 19 19 GLY H H 19 8.367 8.279 0.088 1
1 114 . 7 1 1 A 19 19 GLY CA C 19 46.162 45.357 0.805 1
1 115 . 7 1 1 A 19 19 GLY HA2 H 19 3.760 4.051 -0.291 1
1 116 . 7 1 1 A 19 19 GLY HA3 H 19 4.235 4.059 0.176 1
1 117 . 7 1 1 A 19 19 GLY C C 19 173.727 174.178 -0.451 1
1 118 . 7 1 1 A 20 20 LYS N N 20 122.843 119.343 3.500 1
1 119 . 7 1 1 A 20 20 LYS H H 20 7.974 7.524 0.450 1
1 120 . 7 1 1 A 20 20 LYS CA C 20 58.181 54.698 3.483 1
1 121 . 7 1 1 A 20 20 LYS HA H 20 4.028 4.580 -0.552 1
1 122 . 7 1 1 A 20 20 LYS CB C 20 33.694 34.143 -0.449 1
1 134 . 7 1 1 A 20 20 LYS C C 20 173.876 175.039 -1.163 1
1 135 . 7 1 1 A 21 21 SER N N 21 115.076 112.169 2.907 1
1 136 . 7 1 1 A 21 21 SER H H 21 7.770 8.310 -0.540 1
1 137 . 7 1 1 A 21 21 SER CA C 21 56.403 56.262 0.141 1
1 138 . 7 1 1 A 21 21 SER HA H 21 5.275 5.583 -0.308 1
1 139 . 7 1 1 A 21 21 SER CB C 21 66.263 66.755 -0.492 1
1 142 . 7 1 1 A 21 21 SER C C 21 173.404 172.523 0.881 1
1 143 . 7 1 1 A 22 22 PHE N N 22 118.840 117.832 1.008 1
1 144 . 7 1 1 A 22 22 PHE H H 22 8.924 8.759 0.165 1
1 145 . 7 1 1 A 22 22 PHE CA C 22 57.316 56.406 0.910 1
1 146 . 7 1 1 A 22 22 PHE HA H 22 4.808 5.014 -0.206 1
1 147 . 7 1 1 A 22 22 PHE CB C 22 43.905 44.182 -0.277 1
1 160 . 7 1 1 A 22 22 PHE C C 22 175.257 174.422 0.835 1
1 161 . 7 1 1 A 23 23 ILE N N 23 119.405 117.487 1.918 1
1 162 . 7 1 1 A 23 23 ILE H H 23 9.109 8.665 0.444 1
1 163 . 7 1 1 A 23 23 ILE CA C 23 62.857 61.173 1.684 1
1 164 . 7 1 1 A 23 23 ILE HA H 23 4.343 4.852 -0.509 1
1 165 . 7 1 1 A 23 23 ILE CB C 23 38.939 40.125 -1.186 1
1 178 . 7 1 1 A 23 23 ILE C C 23 176.088 175.629 0.459 1
1 179 . 7 1 1 A 24 24 GLN N N 24 114.920 121.915 -6.995 1
1 180 . 7 1 1 A 24 24 GLN H H 24 7.421 7.666 -0.245 1
1 181 . 7 1 1 A 24 24 GLN CA C 24 53.880 54.450 -0.570 1
1 182 . 7 1 1 A 24 24 GLN HA H 24 4.767 4.520 0.247 1
1 183 . 7 1 1 A 24 24 GLN CB C 24 31.063 30.549 0.514 1
1 192 . 7 1 1 A 24 24 GLN C C 24 176.179 176.047 0.132 1
1 193 . 7 1 1 A 25 25 LYS N N 25 127.347 124.718 2.629 1
1 194 . 7 1 1 A 25 25 LYS H H 25 8.616 8.214 0.402 1
1 195 . 7 1 1 A 25 25 LYS CA C 25 59.440 58.439 1.001 1
1 196 . 7 1 1 A 25 25 LYS HA H 25 2.991 3.432 -0.441 1
1 197 . 7 1 1 A 25 25 LYS CB C 25 31.645 31.858 -0.213 1
1 209 . 7 1 1 A 25 25 LYS C C 25 178.388 178.242 0.146 1
1 210 . 7 1 1 A 26 26 SER CA C 26 60.966 60.993 -0.027 1
1 211 . 7 1 1 A 26 26 SER HA H 26 4.070 4.106 -0.036 1
1 212 . 7 1 1 A 26 26 SER CB C 26 61.804 62.532 -0.728 1
1 215 . 7 1 1 A 26 26 SER C C 26 177.389 176.990 0.399 1
1 216 . 7 1 1 A 27 27 HIS N N 27 121.710 119.485 2.225 1
1 217 . 7 1 1 A 27 27 HIS H H 27 6.907 7.634 -0.727 1
1 218 . 7 1 1 A 27 27 HIS CA C 27 57.311 58.765 -1.454 1
1 219 . 7 1 1 A 27 27 HIS HA H 27 4.396 4.302 0.094 1
1 220 . 7 1 1 A 27 27 HIS CB C 27 31.623 29.727 1.896 1
1 227 . 7 1 1 A 27 27 HIS C C 27 178.263 177.196 1.067 1
1 228 . 7 1 1 A 28 28 LEU N N 28 122.374 120.559 1.815 1
1 229 . 7 1 1 A 28 28 LEU H H 28 7.041 7.513 -0.472 1
1 230 . 7 1 1 A 28 28 LEU CA C 28 57.786 57.513 0.273 1
1 231 . 7 1 1 A 28 28 LEU HA H 28 3.137 2.840 0.297 1
1 232 . 7 1 1 A 28 28 LEU CB C 28 40.116 41.587 -1.471 1
1 245 . 7 1 1 A 28 28 LEU C C 28 177.533 178.288 -0.755 1
1 246 . 7 1 1 A 29 29 ASN N N 29 117.551 116.251 1.300 1
1 247 . 7 1 1 A 29 29 ASN H H 29 8.313 8.182 0.131 1
1 248 . 7 1 1 A 29 29 ASN CA C 29 56.172 56.359 -0.187 1
1 249 . 7 1 1 A 29 29 ASN HA H 29 4.289 4.345 -0.056 1
1 250 . 7 1 1 A 29 29 ASN CB C 29 37.474 38.208 -0.734 1
1 256 . 7 1 1 A 29 29 ASN C C 29 177.889 177.553 0.336 1
1 257 . 7 1 1 A 30 30 ARG N N 30 119.042 120.271 -1.229 1
1 258 . 7 1 1 A 30 30 ARG H H 30 7.644 7.938 -0.294 1
1 259 . 7 1 1 A 30 30 ARG CA C 30 59.123 58.897 0.226 1
1 260 . 7 1 1 A 30 30 ARG HA H 30 4.021 4.067 -0.046 1
1 261 . 7 1 1 A 30 30 ARG CB C 30 30.220 30.149 0.071 1
1 270 . 7 1 1 A 30 30 ARG C C 30 178.562 178.272 0.290 1
1 271 . 7 1 1 A 31 31 HIS N N 31 119.736 119.557 0.179 1
1 272 . 7 1 1 A 31 31 HIS H H 31 7.693 8.063 -0.370 1
1 273 . 7 1 1 A 31 31 HIS CA C 31 59.093 59.894 -0.801 1
1 274 . 7 1 1 A 31 31 HIS HA H 31 4.219 4.068 0.151 1
1 275 . 7 1 1 A 31 31 HIS CB C 31 28.571 29.561 -0.990 1
1 282 . 7 1 1 A 31 31 HIS C C 31 176.193 176.566 -0.373 1
1 283 . 7 1 1 A 32 32 ARG N N 32 115.270 117.342 -2.072 1
1 284 . 7 1 1 A 32 32 ARG H H 32 8.284 8.199 0.085 1
1 285 . 7 1 1 A 32 32 ARG CA C 32 59.938 59.392 0.546 1
1 286 . 7 1 1 A 32 32 ARG HA H 32 3.690 3.835 -0.145 1
1 287 . 7 1 1 A 32 32 ARG CB C 32 29.938 29.765 0.173 1
1 296 . 7 1 1 A 32 32 ARG C C 32 177.517 178.401 -0.884 1
1 297 . 7 1 1 A 33 33 ARG N N 33 117.230 117.377 -0.147 1
1 298 . 7 1 1 A 33 33 ARG H H 33 7.078 8.491 -1.413 1
1 299 . 7 1 1 A 33 33 ARG CA C 33 58.344 58.471 -0.127 1
1 300 . 7 1 1 A 33 33 ARG HA H 33 4.161 4.277 -0.116 1
1 301 . 7 1 1 A 33 33 ARG CB C 33 29.905 29.501 0.404 1
1 310 . 7 1 1 A 33 33 ARG C C 33 178.467 177.498 0.969 1
1 311 . 7 1 1 A 34 34 ILE N N 34 116.308 115.820 0.488 1
1 312 . 7 1 1 A 34 34 ILE H H 34 7.826 7.517 0.309 1
1 313 . 7 1 1 A 34 34 ILE CA C 34 63.103 64.110 -1.007 1
1 314 . 7 1 1 A 34 34 ILE HA H 34 3.988 3.695 0.293 1
1 315 . 7 1 1 A 34 34 ILE CB C 34 37.701 36.974 0.727 1
1 328 . 7 1 1 A 34 34 ILE C C 34 177.295 178.084 -0.789 1
1 329 . 7 1 1 A 35 35 HIS N N 35 117.638 119.360 -1.722 1
1 330 . 7 1 1 A 35 35 HIS H H 35 7.284 7.557 -0.273 1
1 331 . 7 1 1 A 35 35 HIS CA C 35 55.201 59.046 -3.845 1
1 332 . 7 1 1 A 35 35 HIS HA H 35 4.868 4.423 0.445 1
1 333 . 7 1 1 A 35 35 HIS CB C 35 28.625 30.932 -2.307 1
1 340 . 7 1 1 A 35 35 HIS C C 35 175.837 175.620 0.217 1
1 341 . 7 1 1 A 36 36 THR N N 36 111.405 111.555 -0.150 1
1 342 . 7 1 1 A 36 36 THR H H 36 7.803 7.344 0.459 1
1 343 . 7 1 1 A 36 36 THR CA C 36 62.492 62.452 0.040 1
1 344 . 7 1 1 A 36 36 THR HA H 36 4.364 4.145 0.219 1
1 345 . 7 1 1 A 36 36 THR CB C 36 69.845 69.532 0.313 1
1 351 . 7 1 1 A 36 36 THR C C 36 175.507 174.589 0.918 1
1 352 . 7 1 1 A 37 37 GLY N N 37 110.690 109.312 1.378 1
1 353 . 7 1 1 A 37 37 GLY H H 37 8.232 8.425 -0.193 1
1 354 . 7 1 1 A 37 37 GLY CA C 37 45.429 45.652 -0.223 1
1 355 . 7 1 1 A 37 37 GLY HA2 H 37 3.946 4.177 -0.231 1
1 356 . 7 1 1 A 37 37 GLY HA3 H 37 4.046 4.183 -0.137 1
1 357 . 7 1 1 A 37 37 GLY C C 37 174.088 173.032 1.056 1
1 358 . 7 1 1 A 38 38 GLU N N 38 120.568 125.577 -5.009 1
1 359 . 7 1 1 A 38 38 GLU H H 38 8.064 8.617 -0.553 1
1 360 . 7 1 1 A 38 38 GLU CA C 38 56.499 55.979 0.520 1
1 361 . 7 1 1 A 38 38 GLU HA H 38 4.241 4.690 -0.449 1
1 362 . 7 1 1 A 38 38 GLU CB C 38 30.568 30.725 -0.157 1
1 368 . 7 1 1 A 38 38 GLU C C 38 176.155 176.454 -0.299 1
1 369 . 7 1 1 A 39 39 LYS N N 39 123.848 126.914 -3.066 1
1 370 . 7 1 1 A 39 39 LYS H H 39 8.425 8.220 0.205 1
1 371 . 7 1 1 A 39 39 LYS CA C 39 54.028 54.487 -0.459 1
1 372 . 7 1 1 A 39 39 LYS HA H 39 4.608 4.340 0.268 1
1 373 . 7 1 1 A 39 39 LYS CB C 39 32.467 33.191 -0.724 1
1 385 . 7 1 1 A 39 39 LYS C C 39 174.487 175.340 -0.853 1
1 386 . 7 1 1 A 40 40 PRO CA C 40 63.260 62.978 0.282 1
1 387 . 7 1 1 A 40 40 PRO HA H 40 4.467 4.469 -0.002 1
1 388 . 7 1 1 A 40 40 PRO CB C 40 32.180 32.055 0.125 1
1 397 . 7 1 1 A 42 42 GLY CA C 42 44.682 44.276 0.406 1
1 398 . 7 1 1 A 42 42 GLY HA2 H 42 4.145 4.151 -0.006 1
1 399 . 7 1 1 A 42 42 GLY HA3 H 42 4.145 4.151 -0.006 1
1 400 . 7 1 1 A 43 43 PRO CA C 43 63.122 62.653 0.469 1
1 401 . 7 1 1 A 43 43 PRO HA H 43 4.464 4.546 -0.082 1
1 402 . 7 1 1 A 43 43 PRO CB C 43 32.215 32.829 -0.614 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.332 43.751 1.581 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 3.946 4.036 -0.090 1
1 3 . 8 1 1 A 9 9 GLY HA3 H 9 3.973 4.039 -0.066 1
1 4 . 8 1 1 A 10 10 GLU N N 10 120.577 122.006 -1.429 1
1 5 . 8 1 1 A 10 10 GLU H H 10 8.220 8.585 -0.365 1
1 6 . 8 1 1 A 10 10 GLU CA C 10 56.615 55.739 0.876 1
1 7 . 8 1 1 A 10 10 GLU HA H 10 4.230 4.455 -0.225 1
1 8 . 8 1 1 A 10 10 GLU CB C 10 30.561 28.615 1.946 1
1 14 . 8 1 1 A 11 11 LYS N N 11 122.715 120.653 2.062 1
1 15 . 8 1 1 A 11 11 LYS H H 11 8.255 7.334 0.921 1
1 16 . 8 1 1 A 11 11 LYS CA C 11 53.967 52.926 1.041 1
1 17 . 8 1 1 A 11 11 LYS HA H 11 4.542 4.752 -0.210 1
1 18 . 8 1 1 A 11 11 LYS CB C 11 32.542 34.245 -1.703 1
1 30 . 8 1 1 A 12 12 PRO CA C 12 63.013 64.595 -1.582 1
1 31 . 8 1 1 A 12 12 PRO HA H 12 4.338 4.248 0.090 1
1 32 . 8 1 1 A 12 12 PRO CB C 12 32.326 31.772 0.554 1
1 41 . 8 1 1 A 12 12 PRO C C 12 176.009 175.896 0.113 1
1 42 . 8 1 1 A 13 13 TYR N N 13 119.228 117.545 1.683 1
1 43 . 8 1 1 A 13 13 TYR H H 13 8.222 7.626 0.596 1
1 44 . 8 1 1 A 13 13 TYR CA C 13 57.803 56.748 1.055 1
1 45 . 8 1 1 A 13 13 TYR HA H 13 4.593 5.463 -0.870 1
1 46 . 8 1 1 A 13 13 TYR CB C 13 38.831 41.598 -2.767 1
1 57 . 8 1 1 A 13 13 TYR C C 13 174.614 174.828 -0.214 1
1 58 . 8 1 1 A 14 14 ILE N N 14 124.244 123.382 0.862 1
1 59 . 8 1 1 A 14 14 ILE H H 14 8.484 8.864 -0.380 1
1 60 . 8 1 1 A 14 14 ILE CA C 14 59.739 60.395 -0.656 1
1 61 . 8 1 1 A 14 14 ILE HA H 14 4.668 4.823 -0.155 1
1 62 . 8 1 1 A 14 14 ILE CB C 14 40.799 41.765 -0.966 1
1 75 . 8 1 1 A 14 14 ILE C C 14 175.726 174.777 0.949 1
1 76 . 8 1 1 A 15 15 CYS N N 15 128.675 126.939 1.736 1
1 77 . 8 1 1 A 15 15 CYS H H 15 9.226 8.809 0.417 1
1 78 . 8 1 1 A 15 15 CYS CA C 15 59.812 59.579 0.233 1
1 79 . 8 1 1 A 15 15 CYS HA H 15 4.528 4.671 -0.143 1
1 80 . 8 1 1 A 15 15 CYS CB C 15 29.505 28.533 0.972 1
1 83 . 8 1 1 A 15 15 CYS C C 15 176.706 176.609 0.097 1
1 84 . 8 1 1 A 16 16 ASN CA C 16 55.739 53.281 2.458 1
1 85 . 8 1 1 A 16 16 ASN HA H 16 4.510 4.804 -0.294 1
1 86 . 8 1 1 A 16 16 ASN CB C 16 38.232 39.117 -0.885 1
1 92 . 8 1 1 A 16 16 ASN C C 16 175.263 177.185 -1.922 1
1 93 . 8 1 1 A 17 17 GLU N N 17 120.356 119.326 1.030 1
1 94 . 8 1 1 A 17 17 GLU H H 17 8.711 7.605 1.106 1
1 95 . 8 1 1 A 17 17 GLU CA C 17 58.912 58.910 0.002 1
1 96 . 8 1 1 A 17 17 GLU HA H 17 4.219 3.992 0.227 1
1 97 . 8 1 1 A 17 17 GLU CB C 17 29.263 29.566 -0.303 1
1 103 . 8 1 1 A 17 17 GLU C C 17 177.266 177.776 -0.510 1
1 104 . 8 1 1 A 18 18 CYS N N 18 114.672 115.153 -0.481 1
1 105 . 8 1 1 A 18 18 CYS H H 18 7.905 7.998 -0.093 1
1 106 . 8 1 1 A 18 18 CYS CA C 18 58.496 59.580 -1.084 1
1 107 . 8 1 1 A 18 18 CYS HA H 18 5.190 4.653 0.537 1
1 108 . 8 1 1 A 18 18 CYS CB C 18 32.571 30.073 2.498 1
1 111 . 8 1 1 A 18 18 CYS C C 18 176.232 175.585 0.647 1
1 112 . 8 1 1 A 19 19 GLY N N 19 113.745 110.388 3.357 1
1 113 . 8 1 1 A 19 19 GLY H H 19 8.367 8.226 0.141 1
1 114 . 8 1 1 A 19 19 GLY CA C 19 46.162 45.694 0.468 1
1 115 . 8 1 1 A 19 19 GLY HA2 H 19 3.760 4.022 -0.262 1
1 116 . 8 1 1 A 19 19 GLY HA3 H 19 4.235 4.028 0.207 1
1 117 . 8 1 1 A 19 19 GLY C C 19 173.727 174.302 -0.575 1
1 118 . 8 1 1 A 20 20 LYS N N 20 122.843 121.256 1.587 1
1 119 . 8 1 1 A 20 20 LYS H H 20 7.974 7.820 0.154 1
1 120 . 8 1 1 A 20 20 LYS CA C 20 58.181 55.054 3.127 1
1 121 . 8 1 1 A 20 20 LYS HA H 20 4.028 4.595 -0.567 1
1 122 . 8 1 1 A 20 20 LYS CB C 20 33.694 34.344 -0.650 1
1 134 . 8 1 1 A 20 20 LYS C C 20 173.876 174.796 -0.920 1
1 135 . 8 1 1 A 21 21 SER N N 21 115.076 114.598 0.478 1
1 136 . 8 1 1 A 21 21 SER H H 21 7.770 8.320 -0.550 1
1 137 . 8 1 1 A 21 21 SER CA C 21 56.403 55.691 0.712 1
1 138 . 8 1 1 A 21 21 SER HA H 21 5.275 5.154 0.121 1
1 139 . 8 1 1 A 21 21 SER CB C 21 66.263 66.147 0.116 1
1 142 . 8 1 1 A 21 21 SER C C 21 173.404 173.023 0.381 1
1 143 . 8 1 1 A 22 22 PHE N N 22 118.840 117.803 1.037 1
1 144 . 8 1 1 A 22 22 PHE H H 22 8.924 8.368 0.556 1
1 145 . 8 1 1 A 22 22 PHE CA C 22 57.316 56.542 0.774 1
1 146 . 8 1 1 A 22 22 PHE HA H 22 4.808 4.952 -0.144 1
1 147 . 8 1 1 A 22 22 PHE CB C 22 43.905 43.468 0.437 1
1 160 . 8 1 1 A 22 22 PHE C C 22 175.257 175.229 0.028 1
1 161 . 8 1 1 A 23 23 ILE N N 23 119.405 118.766 0.639 1
1 162 . 8 1 1 A 23 23 ILE H H 23 9.109 8.943 0.166 1
1 163 . 8 1 1 A 23 23 ILE CA C 23 62.857 61.655 1.202 1
1 164 . 8 1 1 A 23 23 ILE HA H 23 4.343 4.556 -0.213 1
1 165 . 8 1 1 A 23 23 ILE CB C 23 38.939 39.215 -0.276 1
1 178 . 8 1 1 A 23 23 ILE C C 23 176.088 175.310 0.778 1
1 179 . 8 1 1 A 24 24 GLN N N 24 114.920 122.656 -7.736 1
1 180 . 8 1 1 A 24 24 GLN H H 24 7.421 8.093 -0.672 1
1 181 . 8 1 1 A 24 24 GLN CA C 24 53.880 54.625 -0.745 1
1 182 . 8 1 1 A 24 24 GLN HA H 24 4.767 4.623 0.144 1
1 183 . 8 1 1 A 24 24 GLN CB C 24 31.063 30.885 0.178 1
1 192 . 8 1 1 A 24 24 GLN C C 24 176.179 175.599 0.580 1
1 193 . 8 1 1 A 25 25 LYS N N 25 127.347 127.130 0.217 1
1 194 . 8 1 1 A 25 25 LYS H H 25 8.616 8.827 -0.211 1
1 195 . 8 1 1 A 25 25 LYS CA C 25 59.440 58.704 0.736 1
1 196 . 8 1 1 A 25 25 LYS HA H 25 2.991 2.670 0.321 1
1 197 . 8 1 1 A 25 25 LYS CB C 25 31.645 31.911 -0.266 1
1 209 . 8 1 1 A 25 25 LYS C C 25 178.388 177.859 0.529 1
1 210 . 8 1 1 A 26 26 SER CA C 26 60.966 61.181 -0.215 1
1 211 . 8 1 1 A 26 26 SER HA H 26 4.070 4.037 0.033 1
1 212 . 8 1 1 A 26 26 SER CB C 26 61.804 62.181 -0.377 1
1 215 . 8 1 1 A 26 26 SER C C 26 177.389 176.956 0.433 1
1 216 . 8 1 1 A 27 27 HIS N N 27 121.710 119.118 2.592 1
1 217 . 8 1 1 A 27 27 HIS H H 27 6.907 7.649 -0.742 1
1 218 . 8 1 1 A 27 27 HIS CA C 27 57.311 58.623 -1.312 1
1 219 . 8 1 1 A 27 27 HIS HA H 27 4.396 4.197 0.199 1
1 220 . 8 1 1 A 27 27 HIS CB C 27 31.623 29.925 1.698 1
1 227 . 8 1 1 A 27 27 HIS C C 27 178.263 177.149 1.114 1
1 228 . 8 1 1 A 28 28 LEU N N 28 122.374 120.684 1.690 1
1 229 . 8 1 1 A 28 28 LEU H H 28 7.041 7.356 -0.315 1
1 230 . 8 1 1 A 28 28 LEU CA C 28 57.786 57.873 -0.087 1
1 231 . 8 1 1 A 28 28 LEU HA H 28 3.137 3.212 -0.075 1
1 232 . 8 1 1 A 28 28 LEU CB C 28 40.116 41.850 -1.734 1
1 245 . 8 1 1 A 28 28 LEU C C 28 177.533 178.355 -0.822 1
1 246 . 8 1 1 A 29 29 ASN N N 29 117.551 116.398 1.153 1
1 247 . 8 1 1 A 29 29 ASN H H 29 8.313 8.235 0.078 1
1 248 . 8 1 1 A 29 29 ASN CA C 29 56.172 56.351 -0.179 1
1 249 . 8 1 1 A 29 29 ASN HA H 29 4.289 4.353 -0.064 1
1 250 . 8 1 1 A 29 29 ASN CB C 29 37.474 37.900 -0.426 1
1 256 . 8 1 1 A 29 29 ASN C C 29 177.889 177.455 0.434 1
1 257 . 8 1 1 A 30 30 ARG N N 30 119.042 120.000 -0.958 1
1 258 . 8 1 1 A 30 30 ARG H H 30 7.644 7.932 -0.288 1
1 259 . 8 1 1 A 30 30 ARG CA C 30 59.123 59.055 0.068 1
1 260 . 8 1 1 A 30 30 ARG HA H 30 4.021 4.023 -0.002 1
1 261 . 8 1 1 A 30 30 ARG CB C 30 30.220 30.182 0.038 1
1 270 . 8 1 1 A 30 30 ARG C C 30 178.562 178.102 0.460 1
1 271 . 8 1 1 A 31 31 HIS N N 31 119.736 119.531 0.205 1
1 272 . 8 1 1 A 31 31 HIS H H 31 7.693 8.190 -0.497 1
1 273 . 8 1 1 A 31 31 HIS CA C 31 59.093 59.778 -0.685 1
1 274 . 8 1 1 A 31 31 HIS HA H 31 4.219 4.008 0.211 1
1 275 . 8 1 1 A 31 31 HIS CB C 31 28.571 29.381 -0.810 1
1 282 . 8 1 1 A 31 31 HIS C C 31 176.193 176.754 -0.561 1
1 283 . 8 1 1 A 32 32 ARG N N 32 115.270 117.753 -2.483 1
1 284 . 8 1 1 A 32 32 ARG H H 32 8.284 8.520 -0.236 1
1 285 . 8 1 1 A 32 32 ARG CA C 32 59.938 59.361 0.577 1
1 286 . 8 1 1 A 32 32 ARG HA H 32 3.690 3.814 -0.124 1
1 287 . 8 1 1 A 32 32 ARG CB C 32 29.938 29.751 0.187 1
1 296 . 8 1 1 A 32 32 ARG C C 32 177.517 178.764 -1.247 1
1 297 . 8 1 1 A 33 33 ARG N N 33 117.230 117.508 -0.278 1
1 298 . 8 1 1 A 33 33 ARG H H 33 7.078 8.494 -1.416 1
1 299 . 8 1 1 A 33 33 ARG CA C 33 58.344 58.706 -0.362 1
1 300 . 8 1 1 A 33 33 ARG HA H 33 4.161 4.068 0.093 1
1 301 . 8 1 1 A 33 33 ARG CB C 33 29.905 30.083 -0.178 1
1 310 . 8 1 1 A 33 33 ARG C C 33 178.467 177.819 0.648 1
1 311 . 8 1 1 A 34 34 ILE N N 34 116.308 116.111 0.197 1
1 312 . 8 1 1 A 34 34 ILE H H 34 7.826 7.502 0.324 1
1 313 . 8 1 1 A 34 34 ILE CA C 34 63.103 64.214 -1.111 1
1 314 . 8 1 1 A 34 34 ILE HA H 34 3.988 3.707 0.281 1
1 315 . 8 1 1 A 34 34 ILE CB C 34 37.701 37.297 0.404 1
1 328 . 8 1 1 A 34 34 ILE C C 34 177.295 177.672 -0.377 1
1 329 . 8 1 1 A 35 35 HIS N N 35 117.638 119.932 -2.294 1
1 330 . 8 1 1 A 35 35 HIS H H 35 7.284 7.339 -0.055 1
1 331 . 8 1 1 A 35 35 HIS CA C 35 55.201 58.607 -3.406 1
1 332 . 8 1 1 A 35 35 HIS HA H 35 4.868 4.457 0.411 1
1 333 . 8 1 1 A 35 35 HIS CB C 35 28.625 30.358 -1.733 1
1 340 . 8 1 1 A 35 35 HIS C C 35 175.837 175.475 0.362 1
1 341 . 8 1 1 A 36 36 THR N N 36 111.405 109.946 1.459 1
1 342 . 8 1 1 A 36 36 THR H H 36 7.803 7.542 0.261 1
1 343 . 8 1 1 A 36 36 THR CA C 36 62.492 62.507 -0.015 1
1 344 . 8 1 1 A 36 36 THR HA H 36 4.364 4.167 0.197 1
1 345 . 8 1 1 A 36 36 THR CB C 36 69.845 69.118 0.727 1
1 351 . 8 1 1 A 36 36 THR C C 36 175.507 175.104 0.403 1
1 352 . 8 1 1 A 37 37 GLY N N 37 110.690 111.887 -1.197 1
1 353 . 8 1 1 A 37 37 GLY H H 37 8.232 8.773 -0.541 1
1 354 . 8 1 1 A 37 37 GLY CA C 37 45.429 44.664 0.765 1
1 355 . 8 1 1 A 37 37 GLY HA2 H 37 3.946 4.248 -0.302 1
1 356 . 8 1 1 A 37 37 GLY HA3 H 37 4.046 4.255 -0.209 1
1 357 . 8 1 1 A 37 37 GLY C C 37 174.088 173.893 0.195 1
1 358 . 8 1 1 A 38 38 GLU N N 38 120.568 124.888 -4.320 1
1 359 . 8 1 1 A 38 38 GLU H H 38 8.064 8.677 -0.613 1
1 360 . 8 1 1 A 38 38 GLU CA C 38 56.499 57.214 -0.715 1
1 361 . 8 1 1 A 38 38 GLU HA H 38 4.241 4.124 0.117 1
1 362 . 8 1 1 A 38 38 GLU CB C 38 30.568 29.614 0.954 1
1 368 . 8 1 1 A 38 38 GLU C C 38 176.155 176.052 0.103 1
1 369 . 8 1 1 A 39 39 LYS N N 39 123.848 126.309 -2.461 1
1 370 . 8 1 1 A 39 39 LYS H H 39 8.425 8.245 0.180 1
1 371 . 8 1 1 A 39 39 LYS CA C 39 54.028 53.692 0.336 1
1 372 . 8 1 1 A 39 39 LYS HA H 39 4.608 4.688 -0.080 1
1 373 . 8 1 1 A 39 39 LYS CB C 39 32.467 34.156 -1.689 1
1 385 . 8 1 1 A 39 39 LYS C C 39 174.487 175.861 -1.374 1
1 386 . 8 1 1 A 40 40 PRO CA C 40 63.260 63.999 -0.739 1
1 387 . 8 1 1 A 40 40 PRO HA H 40 4.467 4.518 -0.051 1
1 388 . 8 1 1 A 40 40 PRO CB C 40 32.180 31.930 0.250 1
1 397 . 8 1 1 A 42 42 GLY CA C 42 44.682 45.040 -0.358 1
1 398 . 8 1 1 A 42 42 GLY HA2 H 42 4.145 3.956 0.189 1
1 399 . 8 1 1 A 42 42 GLY HA3 H 42 4.145 3.957 0.188 1
1 400 . 8 1 1 A 43 43 PRO CA C 43 63.122 62.458 0.664 1
1 401 . 8 1 1 A 43 43 PRO HA H 43 4.464 4.553 -0.089 1
1 402 . 8 1 1 A 43 43 PRO CB C 43 32.215 32.518 -0.303 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.332 45.831 -0.499 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 3.946 4.202 -0.256 1
1 3 . 9 1 1 A 9 9 GLY HA3 H 9 3.973 4.202 -0.229 1
1 4 . 9 1 1 A 10 10 GLU N N 10 120.577 120.887 -0.310 1
1 5 . 9 1 1 A 10 10 GLU H H 10 8.220 8.390 -0.170 1
1 6 . 9 1 1 A 10 10 GLU CA C 10 56.615 56.207 0.408 1
1 7 . 9 1 1 A 10 10 GLU HA H 10 4.230 4.420 -0.190 1
1 8 . 9 1 1 A 10 10 GLU CB C 10 30.561 30.413 0.148 1
1 14 . 9 1 1 A 11 11 LYS N N 11 122.715 124.488 -1.773 1
1 15 . 9 1 1 A 11 11 LYS H H 11 8.255 8.602 -0.347 1
1 16 . 9 1 1 A 11 11 LYS CA C 11 53.967 54.592 -0.625 1
1 17 . 9 1 1 A 11 11 LYS HA H 11 4.542 4.329 0.213 1
1 18 . 9 1 1 A 11 11 LYS CB C 11 32.542 31.885 0.657 1
1 30 . 9 1 1 A 12 12 PRO CA C 12 63.013 64.959 -1.946 1
1 31 . 9 1 1 A 12 12 PRO HA H 12 4.338 4.258 0.080 1
1 32 . 9 1 1 A 12 12 PRO CB C 12 32.326 31.597 0.729 1
1 41 . 9 1 1 A 12 12 PRO C C 12 176.009 175.968 0.041 1
1 42 . 9 1 1 A 13 13 TYR N N 13 119.228 117.590 1.638 1
1 43 . 9 1 1 A 13 13 TYR H H 13 8.222 7.747 0.475 1
1 44 . 9 1 1 A 13 13 TYR CA C 13 57.803 57.029 0.774 1
1 45 . 9 1 1 A 13 13 TYR HA H 13 4.593 5.286 -0.693 1
1 46 . 9 1 1 A 13 13 TYR CB C 13 38.831 40.286 -1.455 1
1 57 . 9 1 1 A 13 13 TYR C C 13 174.614 174.972 -0.358 1
1 58 . 9 1 1 A 14 14 ILE N N 14 124.244 123.539 0.705 1
1 59 . 9 1 1 A 14 14 ILE H H 14 8.484 8.841 -0.357 1
1 60 . 9 1 1 A 14 14 ILE CA C 14 59.739 60.451 -0.712 1
1 61 . 9 1 1 A 14 14 ILE HA H 14 4.668 4.981 -0.313 1
1 62 . 9 1 1 A 14 14 ILE CB C 14 40.799 41.507 -0.708 1
1 75 . 9 1 1 A 14 14 ILE C C 14 175.726 175.162 0.564 1
1 76 . 9 1 1 A 15 15 CYS N N 15 128.675 127.612 1.063 1
1 77 . 9 1 1 A 15 15 CYS H H 15 9.226 8.767 0.459 1
1 78 . 9 1 1 A 15 15 CYS CA C 15 59.812 60.224 -0.412 1
1 79 . 9 1 1 A 15 15 CYS HA H 15 4.528 4.545 -0.017 1
1 80 . 9 1 1 A 15 15 CYS CB C 15 29.505 28.848 0.657 1
1 83 . 9 1 1 A 15 15 CYS C C 15 176.706 176.313 0.393 1
1 84 . 9 1 1 A 16 16 ASN CA C 16 55.739 52.831 2.908 1
1 85 . 9 1 1 A 16 16 ASN HA H 16 4.510 5.032 -0.522 1
1 86 . 9 1 1 A 16 16 ASN CB C 16 38.232 38.458 -0.226 1
1 92 . 9 1 1 A 16 16 ASN C C 16 175.263 176.461 -1.198 1
1 93 . 9 1 1 A 17 17 GLU N N 17 120.356 120.218 0.138 1
1 94 . 9 1 1 A 17 17 GLU H H 17 8.711 8.026 0.685 1
1 95 . 9 1 1 A 17 17 GLU CA C 17 58.912 57.134 1.778 1
1 96 . 9 1 1 A 17 17 GLU HA H 17 4.219 4.473 -0.254 1
1 97 . 9 1 1 A 17 17 GLU CB C 17 29.263 31.308 -2.045 1
1 103 . 9 1 1 A 17 17 GLU C C 17 177.266 177.893 -0.627 1
1 104 . 9 1 1 A 18 18 CYS N N 18 114.672 115.023 -0.351 1
1 105 . 9 1 1 A 18 18 CYS H H 18 7.905 8.151 -0.246 1
1 106 . 9 1 1 A 18 18 CYS CA C 18 58.496 59.295 -0.799 1
1 107 . 9 1 1 A 18 18 CYS HA H 18 5.190 4.644 0.546 1
1 108 . 9 1 1 A 18 18 CYS CB C 18 32.571 30.246 2.325 1
1 111 . 9 1 1 A 18 18 CYS C C 18 176.232 175.471 0.761 1
1 112 . 9 1 1 A 19 19 GLY N N 19 113.745 110.213 3.532 1
1 113 . 9 1 1 A 19 19 GLY H H 19 8.367 8.160 0.207 1
1 114 . 9 1 1 A 19 19 GLY CA C 19 46.162 45.436 0.726 1
1 115 . 9 1 1 A 19 19 GLY HA2 H 19 3.760 4.048 -0.288 1
1 116 . 9 1 1 A 19 19 GLY HA3 H 19 4.235 4.056 0.179 1
1 117 . 9 1 1 A 19 19 GLY C C 19 173.727 174.226 -0.499 1
1 118 . 9 1 1 A 20 20 LYS N N 20 122.843 119.329 3.514 1
1 119 . 9 1 1 A 20 20 LYS H H 20 7.974 7.911 0.063 1
1 120 . 9 1 1 A 20 20 LYS CA C 20 58.181 54.570 3.611 1
1 121 . 9 1 1 A 20 20 LYS HA H 20 4.028 4.560 -0.532 1
1 122 . 9 1 1 A 20 20 LYS CB C 20 33.694 34.306 -0.612 1
1 134 . 9 1 1 A 20 20 LYS C C 20 173.876 175.111 -1.235 1
1 135 . 9 1 1 A 21 21 SER N N 21 115.076 115.472 -0.396 1
1 136 . 9 1 1 A 21 21 SER H H 21 7.770 8.292 -0.522 1
1 137 . 9 1 1 A 21 21 SER CA C 21 56.403 56.164 0.239 1
1 138 . 9 1 1 A 21 21 SER HA H 21 5.275 5.365 -0.090 1
1 139 . 9 1 1 A 21 21 SER CB C 21 66.263 66.210 0.053 1
1 142 . 9 1 1 A 21 21 SER C C 21 173.404 171.953 1.451 1
1 143 . 9 1 1 A 22 22 PHE N N 22 118.840 120.357 -1.517 1
1 144 . 9 1 1 A 22 22 PHE H H 22 8.924 8.651 0.273 1
1 145 . 9 1 1 A 22 22 PHE CA C 22 57.316 56.389 0.927 1
1 146 . 9 1 1 A 22 22 PHE HA H 22 4.808 4.949 -0.141 1
1 147 . 9 1 1 A 22 22 PHE CB C 22 43.905 44.053 -0.148 1
1 160 . 9 1 1 A 22 22 PHE C C 22 175.257 174.711 0.546 1
1 161 . 9 1 1 A 23 23 ILE N N 23 119.405 117.948 1.457 1
1 162 . 9 1 1 A 23 23 ILE H H 23 9.109 8.538 0.571 1
1 163 . 9 1 1 A 23 23 ILE CA C 23 62.857 61.394 1.463 1
1 164 . 9 1 1 A 23 23 ILE HA H 23 4.343 4.642 -0.299 1
1 165 . 9 1 1 A 23 23 ILE CB C 23 38.939 39.626 -0.687 1
1 178 . 9 1 1 A 23 23 ILE C C 23 176.088 175.313 0.775 1
1 179 . 9 1 1 A 24 24 GLN N N 24 114.920 122.231 -7.311 1
1 180 . 9 1 1 A 24 24 GLN H H 24 7.421 7.737 -0.316 1
1 181 . 9 1 1 A 24 24 GLN CA C 24 53.880 54.426 -0.546 1
1 182 . 9 1 1 A 24 24 GLN HA H 24 4.767 4.413 0.354 1
1 183 . 9 1 1 A 24 24 GLN CB C 24 31.063 30.479 0.584 1
1 192 . 9 1 1 A 24 24 GLN C C 24 176.179 176.126 0.053 1
1 193 . 9 1 1 A 25 25 LYS N N 25 127.347 124.767 2.580 1
1 194 . 9 1 1 A 25 25 LYS H H 25 8.616 8.258 0.358 1
1 195 . 9 1 1 A 25 25 LYS CA C 25 59.440 58.619 0.821 1
1 196 . 9 1 1 A 25 25 LYS HA H 25 2.991 2.947 0.044 1
1 197 . 9 1 1 A 25 25 LYS CB C 25 31.645 31.685 -0.040 1
1 209 . 9 1 1 A 25 25 LYS C C 25 178.388 177.871 0.517 1
1 210 . 9 1 1 A 26 26 SER CA C 26 60.966 62.391 -1.425 1
1 211 . 9 1 1 A 26 26 SER HA H 26 4.070 4.101 -0.031 1
1 212 . 9 1 1 A 26 26 SER CB C 26 61.804 63.025 -1.221 1
1 215 . 9 1 1 A 26 26 SER C C 26 177.389 176.413 0.976 1
1 216 . 9 1 1 A 27 27 HIS N N 27 121.710 119.422 2.288 1
1 217 . 9 1 1 A 27 27 HIS H H 27 6.907 8.079 -1.172 1
1 218 . 9 1 1 A 27 27 HIS CA C 27 57.311 58.612 -1.301 1
1 219 . 9 1 1 A 27 27 HIS HA H 27 4.396 4.144 0.252 1
1 220 . 9 1 1 A 27 27 HIS CB C 27 31.623 29.886 1.737 1
1 227 . 9 1 1 A 27 27 HIS C C 27 178.263 177.136 1.127 1
1 228 . 9 1 1 A 28 28 LEU N N 28 122.374 120.878 1.496 1
1 229 . 9 1 1 A 28 28 LEU H H 28 7.041 7.437 -0.396 1
1 230 . 9 1 1 A 28 28 LEU CA C 28 57.786 57.824 -0.038 1
1 231 . 9 1 1 A 28 28 LEU HA H 28 3.137 2.965 0.172 1
1 232 . 9 1 1 A 28 28 LEU CB C 28 40.116 41.717 -1.601 1
1 245 . 9 1 1 A 28 28 LEU C C 28 177.533 178.135 -0.602 1
1 246 . 9 1 1 A 29 29 ASN N N 29 117.551 116.072 1.479 1
1 247 . 9 1 1 A 29 29 ASN H H 29 8.313 8.155 0.158 1
1 248 . 9 1 1 A 29 29 ASN CA C 29 56.172 56.530 -0.358 1
1 249 . 9 1 1 A 29 29 ASN HA H 29 4.289 4.383 -0.094 1
1 250 . 9 1 1 A 29 29 ASN CB C 29 37.474 37.950 -0.476 1
1 256 . 9 1 1 A 29 29 ASN C C 29 177.889 177.600 0.289 1
1 257 . 9 1 1 A 30 30 ARG N N 30 119.042 120.157 -1.115 1
1 258 . 9 1 1 A 30 30 ARG H H 30 7.644 8.075 -0.431 1
1 259 . 9 1 1 A 30 30 ARG CA C 30 59.123 58.242 0.881 1
1 260 . 9 1 1 A 30 30 ARG HA H 30 4.021 3.993 0.028 1
1 261 . 9 1 1 A 30 30 ARG CB C 30 30.220 29.658 0.562 1
1 270 . 9 1 1 A 30 30 ARG C C 30 178.562 178.268 0.294 1
1 271 . 9 1 1 A 31 31 HIS N N 31 119.736 119.402 0.334 1
1 272 . 9 1 1 A 31 31 HIS H H 31 7.693 8.122 -0.429 1
1 273 . 9 1 1 A 31 31 HIS CA C 31 59.093 59.071 0.022 1
1 274 . 9 1 1 A 31 31 HIS HA H 31 4.219 4.109 0.110 1
1 275 . 9 1 1 A 31 31 HIS CB C 31 28.571 29.695 -1.124 1
1 282 . 9 1 1 A 31 31 HIS C C 31 176.193 176.967 -0.774 1
1 283 . 9 1 1 A 32 32 ARG N N 32 115.270 118.324 -3.054 1
1 284 . 9 1 1 A 32 32 ARG H H 32 8.284 8.478 -0.194 1
1 285 . 9 1 1 A 32 32 ARG CA C 32 59.938 59.725 0.213 1
1 286 . 9 1 1 A 32 32 ARG HA H 32 3.690 3.954 -0.264 1
1 287 . 9 1 1 A 32 32 ARG CB C 32 29.938 30.080 -0.142 1
1 296 . 9 1 1 A 32 32 ARG C C 32 177.517 178.871 -1.354 1
1 297 . 9 1 1 A 33 33 ARG N N 33 117.230 119.286 -2.056 1
1 298 . 9 1 1 A 33 33 ARG H H 33 7.078 7.975 -0.897 1
1 299 . 9 1 1 A 33 33 ARG CA C 33 58.344 59.156 -0.812 1
1 300 . 9 1 1 A 33 33 ARG HA H 33 4.161 4.090 0.071 1
1 301 . 9 1 1 A 33 33 ARG CB C 33 29.905 29.863 0.042 1
1 310 . 9 1 1 A 33 33 ARG C C 33 178.467 178.385 0.082 1
1 311 . 9 1 1 A 34 34 ILE N N 34 116.308 117.806 -1.498 1
1 312 . 9 1 1 A 34 34 ILE H H 34 7.826 7.627 0.199 1
1 313 . 9 1 1 A 34 34 ILE CA C 34 63.103 64.080 -0.977 1
1 314 . 9 1 1 A 34 34 ILE HA H 34 3.988 3.746 0.242 1
1 315 . 9 1 1 A 34 34 ILE CB C 34 37.701 37.346 0.355 1
1 328 . 9 1 1 A 34 34 ILE C C 34 177.295 177.486 -0.191 1
1 329 . 9 1 1 A 35 35 HIS N N 35 117.638 120.725 -3.087 1
1 330 . 9 1 1 A 35 35 HIS H H 35 7.284 7.281 0.003 1
1 331 . 9 1 1 A 35 35 HIS CA C 35 55.201 59.012 -3.811 1
1 332 . 9 1 1 A 35 35 HIS HA H 35 4.868 4.385 0.483 1
1 333 . 9 1 1 A 35 35 HIS CB C 35 28.625 30.958 -2.333 1
1 340 . 9 1 1 A 35 35 HIS C C 35 175.837 176.666 -0.829 1
1 341 . 9 1 1 A 36 36 THR N N 36 111.405 105.611 5.794 1
1 342 . 9 1 1 A 36 36 THR H H 36 7.803 7.495 0.308 1
1 343 . 9 1 1 A 36 36 THR CA C 36 62.492 61.435 1.057 1
1 344 . 9 1 1 A 36 36 THR HA H 36 4.364 4.341 0.023 1
1 345 . 9 1 1 A 36 36 THR CB C 36 69.845 68.868 0.977 1
1 351 . 9 1 1 A 36 36 THR C C 36 175.507 174.193 1.314 1
1 352 . 9 1 1 A 37 37 GLY N N 37 110.690 108.885 1.805 1
1 353 . 9 1 1 A 37 37 GLY H H 37 8.232 7.449 0.783 1
1 354 . 9 1 1 A 37 37 GLY CA C 37 45.429 45.185 0.244 1
1 355 . 9 1 1 A 37 37 GLY HA2 H 37 3.946 4.091 -0.145 1
1 356 . 9 1 1 A 37 37 GLY HA3 H 37 4.046 4.101 -0.055 1
1 357 . 9 1 1 A 37 37 GLY C C 37 174.088 172.365 1.723 1
1 358 . 9 1 1 A 38 38 GLU N N 38 120.568 125.424 -4.856 1
1 359 . 9 1 1 A 38 38 GLU H H 38 8.064 8.690 -0.626 1
1 360 . 9 1 1 A 38 38 GLU CA C 38 56.499 54.708 1.791 1
1 361 . 9 1 1 A 38 38 GLU HA H 38 4.241 4.653 -0.412 1
1 362 . 9 1 1 A 38 38 GLU CB C 38 30.568 30.469 0.099 1
1 368 . 9 1 1 A 38 38 GLU C C 38 176.155 175.467 0.688 1
1 369 . 9 1 1 A 39 39 LYS N N 39 123.848 123.743 0.105 1
1 370 . 9 1 1 A 39 39 LYS H H 39 8.425 8.671 -0.246 1
1 371 . 9 1 1 A 39 39 LYS CA C 39 54.028 56.845 -2.817 1
1 372 . 9 1 1 A 39 39 LYS HA H 39 4.608 3.821 0.787 1
1 373 . 9 1 1 A 39 39 LYS CB C 39 32.467 30.347 2.120 1
1 385 . 9 1 1 A 39 39 LYS C C 39 174.487 174.654 -0.167 1
1 386 . 9 1 1 A 40 40 PRO CA C 40 63.260 62.350 0.910 1
1 387 . 9 1 1 A 40 40 PRO HA H 40 4.467 4.531 -0.064 1
1 388 . 9 1 1 A 40 40 PRO CB C 40 32.180 32.643 -0.463 1
1 397 . 9 1 1 A 42 42 GLY CA C 42 44.682 44.087 0.595 1
1 398 . 9 1 1 A 42 42 GLY HA2 H 42 4.145 4.268 -0.123 1
1 399 . 9 1 1 A 42 42 GLY HA3 H 42 4.145 4.270 -0.125 1
1 400 . 9 1 1 A 43 43 PRO CA C 43 63.122 64.078 -0.956 1
1 401 . 9 1 1 A 43 43 PRO HA H 43 4.464 4.480 -0.016 1
1 402 . 9 1 1 A 43 43 PRO CB C 43 32.215 31.733 0.482 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.332 45.065 0.267 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 3.946 4.201 -0.255 1
1 3 . 10 1 1 A 9 9 GLY HA3 H 9 3.973 4.201 -0.228 1
1 4 . 10 1 1 A 10 10 GLU N N 10 120.577 123.343 -2.766 1
1 5 . 10 1 1 A 10 10 GLU H H 10 8.220 8.666 -0.446 1
1 6 . 10 1 1 A 10 10 GLU CA C 10 56.615 56.692 -0.077 1
1 7 . 10 1 1 A 10 10 GLU HA H 10 4.230 4.171 0.059 1
1 8 . 10 1 1 A 10 10 GLU CB C 10 30.561 29.737 0.824 1
1 14 . 10 1 1 A 11 11 LYS N N 11 122.715 120.035 2.680 1
1 15 . 10 1 1 A 11 11 LYS H H 11 8.255 8.397 -0.142 1
1 16 . 10 1 1 A 11 11 LYS CA C 11 53.967 55.651 -1.684 1
1 17 . 10 1 1 A 11 11 LYS HA H 11 4.542 4.232 0.310 1
1 18 . 10 1 1 A 11 11 LYS CB C 11 32.542 32.663 -0.121 1
1 30 . 10 1 1 A 12 12 PRO CA C 12 63.013 65.000 -1.987 1
1 31 . 10 1 1 A 12 12 PRO HA H 12 4.338 4.273 0.065 1
1 32 . 10 1 1 A 12 12 PRO CB C 12 32.326 31.583 0.743 1
1 41 . 10 1 1 A 12 12 PRO C C 12 176.009 175.899 0.110 1
1 42 . 10 1 1 A 13 13 TYR N N 13 119.228 118.030 1.198 1
1 43 . 10 1 1 A 13 13 TYR H H 13 8.222 7.234 0.988 1
1 44 . 10 1 1 A 13 13 TYR CA C 13 57.803 57.362 0.441 1
1 45 . 10 1 1 A 13 13 TYR HA H 13 4.593 5.108 -0.515 1
1 46 . 10 1 1 A 13 13 TYR CB C 13 38.831 41.195 -2.364 1
1 57 . 10 1 1 A 13 13 TYR C C 13 174.614 175.139 -0.525 1
1 58 . 10 1 1 A 14 14 ILE N N 14 124.244 120.869 3.375 1
1 59 . 10 1 1 A 14 14 ILE H H 14 8.484 8.806 -0.322 1
1 60 . 10 1 1 A 14 14 ILE CA C 14 59.739 60.049 -0.310 1
1 61 . 10 1 1 A 14 14 ILE HA H 14 4.668 4.919 -0.251 1
1 62 . 10 1 1 A 14 14 ILE CB C 14 40.799 42.314 -1.515 1
1 75 . 10 1 1 A 14 14 ILE C C 14 175.726 175.085 0.641 1
1 76 . 10 1 1 A 15 15 CYS N N 15 128.675 125.785 2.890 1
1 77 . 10 1 1 A 15 15 CYS H H 15 9.226 8.675 0.551 1
1 78 . 10 1 1 A 15 15 CYS CA C 15 59.812 58.008 1.804 1
1 79 . 10 1 1 A 15 15 CYS HA H 15 4.528 4.643 -0.115 1
1 80 . 10 1 1 A 15 15 CYS CB C 15 29.505 26.676 2.829 1
1 83 . 10 1 1 A 15 15 CYS C C 15 176.706 175.466 1.240 1
1 84 . 10 1 1 A 16 16 ASN CA C 16 55.739 55.762 -0.023 1
1 85 . 10 1 1 A 16 16 ASN HA H 16 4.510 4.394 0.116 1
1 86 . 10 1 1 A 16 16 ASN CB C 16 38.232 37.879 0.353 1
1 92 . 10 1 1 A 16 16 ASN C C 16 175.263 176.791 -1.528 1
1 93 . 10 1 1 A 17 17 GLU N N 17 120.356 119.589 0.767 1
1 94 . 10 1 1 A 17 17 GLU H H 17 8.711 8.489 0.222 1
1 95 . 10 1 1 A 17 17 GLU CA C 17 58.912 59.141 -0.229 1
1 96 . 10 1 1 A 17 17 GLU HA H 17 4.219 3.981 0.238 1
1 97 . 10 1 1 A 17 17 GLU CB C 17 29.263 28.963 0.300 1
1 103 . 10 1 1 A 17 17 GLU C C 17 177.266 178.524 -1.258 1
1 104 . 10 1 1 A 18 18 CYS N N 18 114.672 114.904 -0.232 1
1 105 . 10 1 1 A 18 18 CYS H H 18 7.905 7.332 0.573 1
1 106 . 10 1 1 A 18 18 CYS CA C 18 58.496 59.706 -1.210 1
1 107 . 10 1 1 A 18 18 CYS HA H 18 5.190 4.501 0.689 1
1 108 . 10 1 1 A 18 18 CYS CB C 18 32.571 29.385 3.186 1
1 111 . 10 1 1 A 18 18 CYS C C 18 176.232 175.323 0.909 1
1 112 . 10 1 1 A 19 19 GLY N N 19 113.745 109.860 3.885 1
1 113 . 10 1 1 A 19 19 GLY H H 19 8.367 8.403 -0.036 1
1 114 . 10 1 1 A 19 19 GLY CA C 19 46.162 45.552 0.610 1
1 115 . 10 1 1 A 19 19 GLY HA2 H 19 3.760 4.057 -0.297 1
1 116 . 10 1 1 A 19 19 GLY HA3 H 19 4.235 4.060 0.175 1
1 117 . 10 1 1 A 19 19 GLY C C 19 173.727 174.052 -0.325 1
1 118 . 10 1 1 A 20 20 LYS N N 20 122.843 119.319 3.524 1
1 119 . 10 1 1 A 20 20 LYS H H 20 7.974 7.755 0.219 1
1 120 . 10 1 1 A 20 20 LYS CA C 20 58.181 54.247 3.934 1
1 121 . 10 1 1 A 20 20 LYS HA H 20 4.028 4.633 -0.605 1
1 122 . 10 1 1 A 20 20 LYS CB C 20 33.694 34.504 -0.810 1
1 134 . 10 1 1 A 20 20 LYS C C 20 173.876 175.037 -1.161 1
1 135 . 10 1 1 A 21 21 SER N N 21 115.076 112.209 2.867 1
1 136 . 10 1 1 A 21 21 SER H H 21 7.770 8.612 -0.842 1
1 137 . 10 1 1 A 21 21 SER CA C 21 56.403 55.940 0.463 1
1 138 . 10 1 1 A 21 21 SER HA H 21 5.275 5.335 -0.060 1
1 139 . 10 1 1 A 21 21 SER CB C 21 66.263 65.782 0.481 1
1 142 . 10 1 1 A 21 21 SER C C 21 173.404 173.148 0.256 1
1 143 . 10 1 1 A 22 22 PHE N N 22 118.840 118.289 0.551 1
1 144 . 10 1 1 A 22 22 PHE H H 22 8.924 8.581 0.343 1
1 145 . 10 1 1 A 22 22 PHE CA C 22 57.316 56.497 0.819 1
1 146 . 10 1 1 A 22 22 PHE HA H 22 4.808 5.018 -0.210 1
1 147 . 10 1 1 A 22 22 PHE CB C 22 43.905 43.862 0.043 1
1 160 . 10 1 1 A 22 22 PHE C C 22 175.257 175.299 -0.042 1
1 161 . 10 1 1 A 23 23 ILE N N 23 119.405 118.800 0.605 1
1 162 . 10 1 1 A 23 23 ILE H H 23 9.109 8.826 0.283 1
1 163 . 10 1 1 A 23 23 ILE CA C 23 62.857 61.523 1.334 1
1 164 . 10 1 1 A 23 23 ILE HA H 23 4.343 4.527 -0.184 1
1 165 . 10 1 1 A 23 23 ILE CB C 23 38.939 39.519 -0.580 1
1 178 . 10 1 1 A 23 23 ILE C C 23 176.088 175.419 0.669 1
1 179 . 10 1 1 A 24 24 GLN N N 24 114.920 122.448 -7.528 1
1 180 . 10 1 1 A 24 24 GLN H H 24 7.421 8.134 -0.713 1
1 181 . 10 1 1 A 24 24 GLN CA C 24 53.880 54.958 -1.078 1
1 182 . 10 1 1 A 24 24 GLN HA H 24 4.767 4.732 0.035 1
1 183 . 10 1 1 A 24 24 GLN CB C 24 31.063 30.694 0.369 1
1 192 . 10 1 1 A 24 24 GLN C C 24 176.179 176.188 -0.009 1
1 193 . 10 1 1 A 25 25 LYS N N 25 127.347 125.968 1.379 1
1 194 . 10 1 1 A 25 25 LYS H H 25 8.616 8.972 -0.356 1
1 195 . 10 1 1 A 25 25 LYS CA C 25 59.440 59.721 -0.281 1
1 196 . 10 1 1 A 25 25 LYS HA H 25 2.991 3.449 -0.458 1
1 197 . 10 1 1 A 25 25 LYS CB C 25 31.645 32.530 -0.885 1
1 209 . 10 1 1 A 25 25 LYS C C 25 178.388 178.436 -0.048 1
1 210 . 10 1 1 A 26 26 SER CA C 26 60.966 62.265 -1.299 1
1 211 . 10 1 1 A 26 26 SER HA H 26 4.070 4.073 -0.003 1
1 212 . 10 1 1 A 26 26 SER CB C 26 61.804 63.000 -1.196 1
1 215 . 10 1 1 A 26 26 SER C C 26 177.389 176.497 0.892 1
1 216 . 10 1 1 A 27 27 HIS N N 27 121.710 119.499 2.211 1
1 217 . 10 1 1 A 27 27 HIS H H 27 6.907 7.970 -1.063 1
1 218 . 10 1 1 A 27 27 HIS CA C 27 57.311 58.779 -1.468 1
1 219 . 10 1 1 A 27 27 HIS HA H 27 4.396 4.234 0.162 1
1 220 . 10 1 1 A 27 27 HIS CB C 27 31.623 30.009 1.614 1
1 227 . 10 1 1 A 27 27 HIS C C 27 178.263 177.454 0.809 1
1 228 . 10 1 1 A 28 28 LEU N N 28 122.374 120.539 1.835 1
1 229 . 10 1 1 A 28 28 LEU H H 28 7.041 7.406 -0.365 1
1 230 . 10 1 1 A 28 28 LEU CA C 28 57.786 57.450 0.336 1
1 231 . 10 1 1 A 28 28 LEU HA H 28 3.137 2.947 0.190 1
1 232 . 10 1 1 A 28 28 LEU CB C 28 40.116 41.586 -1.470 1
1 245 . 10 1 1 A 28 28 LEU C C 28 177.533 178.268 -0.735 1
1 246 . 10 1 1 A 29 29 ASN N N 29 117.551 116.259 1.292 1
1 247 . 10 1 1 A 29 29 ASN H H 29 8.313 8.384 -0.071 1
1 248 . 10 1 1 A 29 29 ASN CA C 29 56.172 56.339 -0.167 1
1 249 . 10 1 1 A 29 29 ASN HA H 29 4.289 4.294 -0.005 1
1 250 . 10 1 1 A 29 29 ASN CB C 29 37.474 37.911 -0.437 1
1 256 . 10 1 1 A 29 29 ASN C C 29 177.889 178.322 -0.433 1
1 257 . 10 1 1 A 30 30 ARG N N 30 119.042 120.726 -1.684 1
1 258 . 10 1 1 A 30 30 ARG H H 30 7.644 8.062 -0.418 1
1 259 . 10 1 1 A 30 30 ARG CA C 30 59.123 59.197 -0.074 1
1 260 . 10 1 1 A 30 30 ARG HA H 30 4.021 3.988 0.033 1
1 261 . 10 1 1 A 30 30 ARG CB C 30 30.220 30.555 -0.335 1
1 270 . 10 1 1 A 30 30 ARG C C 30 178.562 178.734 -0.172 1
1 271 . 10 1 1 A 31 31 HIS N N 31 119.736 119.667 0.069 1
1 272 . 10 1 1 A 31 31 HIS H H 31 7.693 7.847 -0.154 1
1 273 . 10 1 1 A 31 31 HIS CA C 31 59.093 59.859 -0.766 1
1 274 . 10 1 1 A 31 31 HIS HA H 31 4.219 4.103 0.116 1
1 275 . 10 1 1 A 31 31 HIS CB C 31 28.571 29.523 -0.952 1
1 282 . 10 1 1 A 31 31 HIS C C 31 176.193 176.474 -0.281 1
1 283 . 10 1 1 A 32 32 ARG N N 32 115.270 117.243 -1.973 1
1 284 . 10 1 1 A 32 32 ARG H H 32 8.284 8.248 0.036 1
1 285 . 10 1 1 A 32 32 ARG CA C 32 59.938 59.359 0.579 1
1 286 . 10 1 1 A 32 32 ARG HA H 32 3.690 3.951 -0.261 1
1 287 . 10 1 1 A 32 32 ARG CB C 32 29.938 29.896 0.042 1
1 296 . 10 1 1 A 32 32 ARG C C 32 177.517 178.583 -1.066 1
1 297 . 10 1 1 A 33 33 ARG N N 33 117.230 117.280 -0.050 1
1 298 . 10 1 1 A 33 33 ARG H H 33 7.078 8.578 -1.500 1
1 299 . 10 1 1 A 33 33 ARG CA C 33 58.344 58.754 -0.410 1
1 300 . 10 1 1 A 33 33 ARG HA H 33 4.161 4.042 0.119 1
1 301 . 10 1 1 A 33 33 ARG CB C 33 29.905 29.613 0.292 1
1 310 . 10 1 1 A 33 33 ARG C C 33 178.467 177.410 1.057 1
1 311 . 10 1 1 A 34 34 ILE N N 34 116.308 115.984 0.324 1
1 312 . 10 1 1 A 34 34 ILE H H 34 7.826 7.779 0.047 1
1 313 . 10 1 1 A 34 34 ILE CA C 34 63.103 63.884 -0.781 1
1 314 . 10 1 1 A 34 34 ILE HA H 34 3.988 3.769 0.219 1
1 315 . 10 1 1 A 34 34 ILE CB C 34 37.701 36.910 0.791 1
1 328 . 10 1 1 A 34 34 ILE C C 34 177.295 176.440 0.855 1
1 329 . 10 1 1 A 35 35 HIS N N 35 117.638 119.604 -1.966 1
1 330 . 10 1 1 A 35 35 HIS H H 35 7.284 7.799 -0.515 1
1 331 . 10 1 1 A 35 35 HIS CA C 35 55.201 54.645 0.556 1
1 332 . 10 1 1 A 35 35 HIS HA H 35 4.868 4.693 0.175 1
1 333 . 10 1 1 A 35 35 HIS CB C 35 28.625 27.986 0.639 1
1 340 . 10 1 1 A 35 35 HIS C C 35 175.837 173.743 2.094 1
1 341 . 10 1 1 A 36 36 THR N N 36 111.405 110.189 1.216 1
1 342 . 10 1 1 A 36 36 THR H H 36 7.803 7.733 0.070 1
1 343 . 10 1 1 A 36 36 THR CA C 36 62.492 60.439 2.053 1
1 344 . 10 1 1 A 36 36 THR HA H 36 4.364 4.980 -0.616 1
1 345 . 10 1 1 A 36 36 THR CB C 36 69.845 71.275 -1.430 1
1 351 . 10 1 1 A 36 36 THR C C 36 175.507 173.046 2.461 1
1 352 . 10 1 1 A 37 37 GLY N N 37 110.690 109.615 1.075 1
1 353 . 10 1 1 A 37 37 GLY H H 37 8.232 8.271 -0.039 1
1 354 . 10 1 1 A 37 37 GLY CA C 37 45.429 46.080 -0.651 1
1 355 . 10 1 1 A 37 37 GLY HA2 H 37 3.946 4.280 -0.334 1
1 356 . 10 1 1 A 37 37 GLY HA3 H 37 4.046 4.286 -0.240 1
1 357 . 10 1 1 A 37 37 GLY C C 37 174.088 172.471 1.617 1
1 358 . 10 1 1 A 38 38 GLU N N 38 120.568 122.678 -2.110 1
1 359 . 10 1 1 A 38 38 GLU H H 38 8.064 8.691 -0.627 1
1 360 . 10 1 1 A 38 38 GLU CA C 38 56.499 55.371 1.128 1
1 361 . 10 1 1 A 38 38 GLU HA H 38 4.241 4.469 -0.228 1
1 362 . 10 1 1 A 38 38 GLU CB C 38 30.568 29.056 1.512 1
1 368 . 10 1 1 A 38 38 GLU C C 38 176.155 174.798 1.357 1
1 369 . 10 1 1 A 39 39 LYS N N 39 123.848 122.514 1.334 1
1 370 . 10 1 1 A 39 39 LYS H H 39 8.425 7.533 0.892 1
1 371 . 10 1 1 A 39 39 LYS CA C 39 54.028 52.947 1.081 1
1 372 . 10 1 1 A 39 39 LYS HA H 39 4.608 4.815 -0.207 1
1 373 . 10 1 1 A 39 39 LYS CB C 39 32.467 33.929 -1.462 1
1 385 . 10 1 1 A 39 39 LYS C C 39 174.487 174.038 0.449 1
1 386 . 10 1 1 A 40 40 PRO CA C 40 63.260 62.494 0.766 1
1 387 . 10 1 1 A 40 40 PRO HA H 40 4.467 4.708 -0.241 1
1 388 . 10 1 1 A 40 40 PRO CB C 40 32.180 31.749 0.431 1
1 397 . 10 1 1 A 42 42 GLY CA C 42 44.682 47.031 -2.349 1
1 398 . 10 1 1 A 42 42 GLY HA2 H 42 4.145 3.818 0.327 1
1 399 . 10 1 1 A 42 42 GLY HA3 H 42 4.145 3.818 0.327 1
1 400 . 10 1 1 A 43 43 PRO CA C 43 63.122 62.490 0.632 1
1 401 . 10 1 1 A 43 43 PRO HA H 43 4.464 4.561 -0.097 1
1 402 . 10 1 1 A 43 43 PRO CB C 43 32.215 32.722 -0.507 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.332 45.999 -0.667 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 3.946 4.016 -0.070 1
1 3 . 11 1 1 A 9 9 GLY HA3 H 9 3.973 4.019 -0.046 1
1 4 . 11 1 1 A 10 10 GLU N N 10 120.577 120.049 0.528 1
1 5 . 11 1 1 A 10 10 GLU H H 10 8.220 8.422 -0.202 1
1 6 . 11 1 1 A 10 10 GLU CA C 10 56.615 55.694 0.921 1
1 7 . 11 1 1 A 10 10 GLU HA H 10 4.230 4.653 -0.423 1
1 8 . 11 1 1 A 10 10 GLU CB C 10 30.561 29.246 1.315 1
1 14 . 11 1 1 A 11 11 LYS N N 11 122.715 125.014 -2.299 1
1 15 . 11 1 1 A 11 11 LYS H H 11 8.255 8.282 -0.027 1
1 16 . 11 1 1 A 11 11 LYS CA C 11 53.967 52.806 1.161 1
1 17 . 11 1 1 A 11 11 LYS HA H 11 4.542 4.763 -0.221 1
1 18 . 11 1 1 A 11 11 LYS CB C 11 32.542 33.978 -1.436 1
1 30 . 11 1 1 A 12 12 PRO CA C 12 63.013 64.869 -1.856 1
1 31 . 11 1 1 A 12 12 PRO HA H 12 4.338 4.271 0.067 1
1 32 . 11 1 1 A 12 12 PRO CB C 12 32.326 31.684 0.642 1
1 41 . 11 1 1 A 12 12 PRO C C 12 176.009 175.877 0.132 1
1 42 . 11 1 1 A 13 13 TYR N N 13 119.228 117.835 1.393 1
1 43 . 11 1 1 A 13 13 TYR H H 13 8.222 7.779 0.443 1
1 44 . 11 1 1 A 13 13 TYR CA C 13 57.803 57.532 0.271 1
1 45 . 11 1 1 A 13 13 TYR HA H 13 4.593 4.953 -0.360 1
1 46 . 11 1 1 A 13 13 TYR CB C 13 38.831 39.763 -0.932 1
1 57 . 11 1 1 A 13 13 TYR C C 13 174.614 175.478 -0.864 1
1 58 . 11 1 1 A 14 14 ILE N N 14 124.244 123.872 0.372 1
1 59 . 11 1 1 A 14 14 ILE H H 14 8.484 8.837 -0.353 1
1 60 . 11 1 1 A 14 14 ILE CA C 14 59.739 60.615 -0.876 1
1 61 . 11 1 1 A 14 14 ILE HA H 14 4.668 5.064 -0.396 1
1 62 . 11 1 1 A 14 14 ILE CB C 14 40.799 41.435 -0.636 1
1 75 . 11 1 1 A 14 14 ILE C C 14 175.726 175.299 0.427 1
1 76 . 11 1 1 A 15 15 CYS N N 15 128.675 127.526 1.149 1
1 77 . 11 1 1 A 15 15 CYS H H 15 9.226 9.213 0.013 1
1 78 . 11 1 1 A 15 15 CYS CA C 15 59.812 60.197 -0.385 1
1 79 . 11 1 1 A 15 15 CYS HA H 15 4.528 4.508 0.020 1
1 80 . 11 1 1 A 15 15 CYS CB C 15 29.505 28.874 0.631 1
1 83 . 11 1 1 A 15 15 CYS C C 15 176.706 176.451 0.255 1
1 84 . 11 1 1 A 16 16 ASN CA C 16 55.739 52.416 3.323 1
1 85 . 11 1 1 A 16 16 ASN HA H 16 4.510 5.054 -0.544 1
1 86 . 11 1 1 A 16 16 ASN CB C 16 38.232 38.428 -0.196 1
1 92 . 11 1 1 A 16 16 ASN C C 16 175.263 176.027 -0.764 1
1 93 . 11 1 1 A 17 17 GLU N N 17 120.356 120.318 0.038 1
1 94 . 11 1 1 A 17 17 GLU H H 17 8.711 8.023 0.688 1
1 95 . 11 1 1 A 17 17 GLU CA C 17 58.912 57.197 1.715 1
1 96 . 11 1 1 A 17 17 GLU HA H 17 4.219 4.466 -0.247 1
1 97 . 11 1 1 A 17 17 GLU CB C 17 29.263 31.180 -1.917 1
1 103 . 11 1 1 A 17 17 GLU C C 17 177.266 177.892 -0.626 1
1 104 . 11 1 1 A 18 18 CYS N N 18 114.672 115.012 -0.340 1
1 105 . 11 1 1 A 18 18 CYS H H 18 7.905 8.119 -0.214 1
1 106 . 11 1 1 A 18 18 CYS CA C 18 58.496 59.450 -0.954 1
1 107 . 11 1 1 A 18 18 CYS HA H 18 5.190 4.643 0.547 1
1 108 . 11 1 1 A 18 18 CYS CB C 18 32.571 30.032 2.539 1
1 111 . 11 1 1 A 18 18 CYS C C 18 176.232 175.489 0.743 1
1 112 . 11 1 1 A 19 19 GLY N N 19 113.745 110.260 3.485 1
1 113 . 11 1 1 A 19 19 GLY H H 19 8.367 7.646 0.721 1
1 114 . 11 1 1 A 19 19 GLY CA C 19 46.162 45.420 0.742 1
1 115 . 11 1 1 A 19 19 GLY HA2 H 19 3.760 4.070 -0.310 1
1 116 . 11 1 1 A 19 19 GLY HA3 H 19 4.235 4.082 0.153 1
1 117 . 11 1 1 A 19 19 GLY C C 19 173.727 174.324 -0.597 1
1 118 . 11 1 1 A 20 20 LYS N N 20 122.843 121.141 1.702 1
1 119 . 11 1 1 A 20 20 LYS H H 20 7.974 7.821 0.153 1
1 120 . 11 1 1 A 20 20 LYS CA C 20 58.181 54.722 3.459 1
1 121 . 11 1 1 A 20 20 LYS HA H 20 4.028 4.691 -0.663 1
1 122 . 11 1 1 A 20 20 LYS CB C 20 33.694 35.283 -1.589 1
1 134 . 11 1 1 A 20 20 LYS C C 20 173.876 175.163 -1.287 1
1 135 . 11 1 1 A 21 21 SER N N 21 115.076 115.685 -0.609 1
1 136 . 11 1 1 A 21 21 SER H H 21 7.770 8.726 -0.956 1
1 137 . 11 1 1 A 21 21 SER CA C 21 56.403 55.597 0.806 1
1 138 . 11 1 1 A 21 21 SER HA H 21 5.275 5.604 -0.329 1
1 139 . 11 1 1 A 21 21 SER CB C 21 66.263 66.525 -0.262 1
1 142 . 11 1 1 A 21 21 SER C C 21 173.404 173.197 0.207 1
1 143 . 11 1 1 A 22 22 PHE N N 22 118.840 117.441 1.399 1
1 144 . 11 1 1 A 22 22 PHE H H 22 8.924 8.944 -0.020 1
1 145 . 11 1 1 A 22 22 PHE CA C 22 57.316 56.605 0.711 1
1 146 . 11 1 1 A 22 22 PHE HA H 22 4.808 5.029 -0.221 1
1 147 . 11 1 1 A 22 22 PHE CB C 22 43.905 44.088 -0.183 1
1 160 . 11 1 1 A 22 22 PHE C C 22 175.257 175.192 0.065 1
1 161 . 11 1 1 A 23 23 ILE N N 23 119.405 117.957 1.448 1
1 162 . 11 1 1 A 23 23 ILE H H 23 9.109 8.630 0.479 1
1 163 . 11 1 1 A 23 23 ILE CA C 23 62.857 61.233 1.624 1
1 164 . 11 1 1 A 23 23 ILE HA H 23 4.343 4.605 -0.262 1
1 165 . 11 1 1 A 23 23 ILE CB C 23 38.939 39.556 -0.617 1
1 178 . 11 1 1 A 23 23 ILE C C 23 176.088 175.818 0.270 1
1 179 . 11 1 1 A 24 24 GLN N N 24 114.920 121.268 -6.348 1
1 180 . 11 1 1 A 24 24 GLN H H 24 7.421 7.617 -0.196 1
1 181 . 11 1 1 A 24 24 GLN CA C 24 53.880 54.065 -0.185 1
1 182 . 11 1 1 A 24 24 GLN HA H 24 4.767 4.735 0.032 1
1 183 . 11 1 1 A 24 24 GLN CB C 24 31.063 31.635 -0.572 1
1 192 . 11 1 1 A 24 24 GLN C C 24 176.179 175.278 0.901 1
1 193 . 11 1 1 A 25 25 LYS N N 25 127.347 123.501 3.846 1
1 194 . 11 1 1 A 25 25 LYS H H 25 8.616 8.382 0.234 1
1 195 . 11 1 1 A 25 25 LYS CA C 25 59.440 58.577 0.863 1
1 196 . 11 1 1 A 25 25 LYS HA H 25 2.991 3.031 -0.040 1
1 197 . 11 1 1 A 25 25 LYS CB C 25 31.645 32.146 -0.501 1
1 209 . 11 1 1 A 25 25 LYS C C 25 178.388 177.871 0.517 1
1 210 . 11 1 1 A 26 26 SER CA C 26 60.966 61.278 -0.312 1
1 211 . 11 1 1 A 26 26 SER HA H 26 4.070 4.100 -0.030 1
1 212 . 11 1 1 A 26 26 SER CB C 26 61.804 62.200 -0.396 1
1 215 . 11 1 1 A 26 26 SER C C 26 177.389 177.238 0.151 1
1 216 . 11 1 1 A 27 27 HIS N N 27 121.710 118.779 2.931 1
1 217 . 11 1 1 A 27 27 HIS H H 27 6.907 7.748 -0.841 1
1 218 . 11 1 1 A 27 27 HIS CA C 27 57.311 59.069 -1.758 1
1 219 . 11 1 1 A 27 27 HIS HA H 27 4.396 4.278 0.118 1
1 220 . 11 1 1 A 27 27 HIS CB C 27 31.623 29.590 2.033 1
1 227 . 11 1 1 A 27 27 HIS C C 27 178.263 177.398 0.865 1
1 228 . 11 1 1 A 28 28 LEU N N 28 122.374 120.756 1.618 1
1 229 . 11 1 1 A 28 28 LEU H H 28 7.041 7.470 -0.429 1
1 230 . 11 1 1 A 28 28 LEU CA C 28 57.786 56.623 1.163 1
1 231 . 11 1 1 A 28 28 LEU HA H 28 3.137 2.670 0.467 1
1 232 . 11 1 1 A 28 28 LEU CB C 28 40.116 42.162 -2.046 1
1 245 . 11 1 1 A 28 28 LEU C C 28 177.533 177.987 -0.454 1
1 246 . 11 1 1 A 29 29 ASN N N 29 117.551 117.432 0.119 1
1 247 . 11 1 1 A 29 29 ASN H H 29 8.313 8.380 -0.067 1
1 248 . 11 1 1 A 29 29 ASN CA C 29 56.172 56.400 -0.228 1
1 249 . 11 1 1 A 29 29 ASN HA H 29 4.289 4.360 -0.071 1
1 250 . 11 1 1 A 29 29 ASN CB C 29 37.474 38.737 -1.263 1
1 256 . 11 1 1 A 29 29 ASN C C 29 177.889 177.311 0.578 1
1 257 . 11 1 1 A 30 30 ARG N N 30 119.042 117.857 1.185 1
1 258 . 11 1 1 A 30 30 ARG H H 30 7.644 8.293 -0.649 1
1 259 . 11 1 1 A 30 30 ARG CA C 30 59.123 58.986 0.137 1
1 260 . 11 1 1 A 30 30 ARG HA H 30 4.021 4.017 0.004 1
1 261 . 11 1 1 A 30 30 ARG CB C 30 30.220 29.846 0.374 1
1 270 . 11 1 1 A 30 30 ARG C C 30 178.562 178.373 0.189 1
1 271 . 11 1 1 A 31 31 HIS N N 31 119.736 120.204 -0.468 1
1 272 . 11 1 1 A 31 31 HIS H H 31 7.693 7.603 0.090 1
1 273 . 11 1 1 A 31 31 HIS CA C 31 59.093 59.884 -0.791 1
1 274 . 11 1 1 A 31 31 HIS HA H 31 4.219 4.161 0.058 1
1 275 . 11 1 1 A 31 31 HIS CB C 31 28.571 29.734 -1.163 1
1 282 . 11 1 1 A 31 31 HIS C C 31 176.193 177.176 -0.983 1
1 283 . 11 1 1 A 32 32 ARG N N 32 115.270 118.077 -2.807 1
1 284 . 11 1 1 A 32 32 ARG H H 32 8.284 8.033 0.251 1
1 285 . 11 1 1 A 32 32 ARG CA C 32 59.938 58.626 1.312 1
1 286 . 11 1 1 A 32 32 ARG HA H 32 3.690 4.036 -0.346 1
1 287 . 11 1 1 A 32 32 ARG CB C 32 29.938 29.953 -0.015 1
1 296 . 11 1 1 A 32 32 ARG C C 32 177.517 178.613 -1.096 1
1 297 . 11 1 1 A 33 33 ARG N N 33 117.230 117.989 -0.759 1
1 298 . 11 1 1 A 33 33 ARG H H 33 7.078 8.007 -0.929 1
1 299 . 11 1 1 A 33 33 ARG CA C 33 58.344 58.646 -0.302 1
1 300 . 11 1 1 A 33 33 ARG HA H 33 4.161 4.180 -0.019 1
1 301 . 11 1 1 A 33 33 ARG CB C 33 29.905 30.089 -0.184 1
1 310 . 11 1 1 A 33 33 ARG C C 33 178.467 177.710 0.757 1
1 311 . 11 1 1 A 34 34 ILE N N 34 116.308 115.859 0.449 1
1 312 . 11 1 1 A 34 34 ILE H H 34 7.826 7.093 0.733 1
1 313 . 11 1 1 A 34 34 ILE CA C 34 63.103 63.596 -0.493 1
1 314 . 11 1 1 A 34 34 ILE HA H 34 3.988 3.710 0.278 1
1 315 . 11 1 1 A 34 34 ILE CB C 34 37.701 37.076 0.625 1
1 328 . 11 1 1 A 34 34 ILE C C 34 177.295 177.750 -0.455 1
1 329 . 11 1 1 A 35 35 HIS N N 35 117.638 119.298 -1.660 1
1 330 . 11 1 1 A 35 35 HIS H H 35 7.284 7.326 -0.042 1
1 331 . 11 1 1 A 35 35 HIS CA C 35 55.201 58.552 -3.351 1
1 332 . 11 1 1 A 35 35 HIS HA H 35 4.868 4.446 0.422 1
1 333 . 11 1 1 A 35 35 HIS CB C 35 28.625 31.138 -2.513 1
1 340 . 11 1 1 A 35 35 HIS C C 35 175.837 175.570 0.267 1
1 341 . 11 1 1 A 36 36 THR N N 36 111.405 111.546 -0.141 1
1 342 . 11 1 1 A 36 36 THR H H 36 7.803 7.716 0.087 1
1 343 . 11 1 1 A 36 36 THR CA C 36 62.492 62.666 -0.174 1
1 344 . 11 1 1 A 36 36 THR HA H 36 4.364 4.137 0.227 1
1 345 . 11 1 1 A 36 36 THR CB C 36 69.845 69.148 0.697 1
1 351 . 11 1 1 A 36 36 THR C C 36 175.507 174.569 0.938 1
1 352 . 11 1 1 A 37 37 GLY N N 37 110.690 110.291 0.399 1
1 353 . 11 1 1 A 37 37 GLY H H 37 8.232 8.375 -0.143 1
1 354 . 11 1 1 A 37 37 GLY CA C 37 45.429 46.146 -0.717 1
1 355 . 11 1 1 A 37 37 GLY HA2 H 37 3.946 4.168 -0.222 1
1 356 . 11 1 1 A 37 37 GLY HA3 H 37 4.046 4.172 -0.126 1
1 357 . 11 1 1 A 37 37 GLY C C 37 174.088 172.938 1.150 1
1 358 . 11 1 1 A 38 38 GLU N N 38 120.568 120.083 0.485 1
1 359 . 11 1 1 A 38 38 GLU H H 38 8.064 8.535 -0.471 1
1 360 . 11 1 1 A 38 38 GLU CA C 38 56.499 56.016 0.483 1
1 361 . 11 1 1 A 38 38 GLU HA H 38 4.241 4.506 -0.265 1
1 362 . 11 1 1 A 38 38 GLU CB C 38 30.568 30.299 0.269 1
1 368 . 11 1 1 A 38 38 GLU C C 38 176.155 174.446 1.709 1
1 369 . 11 1 1 A 39 39 LYS N N 39 123.848 118.433 5.415 1
1 370 . 11 1 1 A 39 39 LYS H H 39 8.425 7.411 1.014 1
1 371 . 11 1 1 A 39 39 LYS CA C 39 54.028 53.146 0.882 1
1 372 . 11 1 1 A 39 39 LYS HA H 39 4.608 4.757 -0.149 1
1 373 . 11 1 1 A 39 39 LYS CB C 39 32.467 33.636 -1.169 1
1 385 . 11 1 1 A 39 39 LYS C C 39 174.487 176.313 -1.826 1
1 386 . 11 1 1 A 40 40 PRO CA C 40 63.260 63.694 -0.434 1
1 387 . 11 1 1 A 40 40 PRO HA H 40 4.467 4.571 -0.104 1
1 388 . 11 1 1 A 40 40 PRO CB C 40 32.180 32.186 -0.006 1
1 397 . 11 1 1 A 42 42 GLY CA C 42 44.682 46.856 -2.174 1
1 398 . 11 1 1 A 42 42 GLY HA2 H 42 4.145 3.901 0.244 1
1 399 . 11 1 1 A 42 42 GLY HA3 H 42 4.145 3.904 0.241 1
1 400 . 11 1 1 A 43 43 PRO CA C 43 63.122 63.658 -0.536 1
1 401 . 11 1 1 A 43 43 PRO HA H 43 4.464 4.468 -0.004 1
1 402 . 11 1 1 A 43 43 PRO CB C 43 32.215 32.200 0.015 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.332 45.215 0.117 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 3.946 4.041 -0.095 1
1 3 . 12 1 1 A 9 9 GLY HA3 H 9 3.973 4.044 -0.071 1
1 4 . 12 1 1 A 10 10 GLU N N 10 120.577 120.905 -0.328 1
1 5 . 12 1 1 A 10 10 GLU H H 10 8.220 8.592 -0.372 1
1 6 . 12 1 1 A 10 10 GLU CA C 10 56.615 55.772 0.843 1
1 7 . 12 1 1 A 10 10 GLU HA H 10 4.230 4.533 -0.303 1
1 8 . 12 1 1 A 10 10 GLU CB C 10 30.561 30.063 0.498 1
1 14 . 12 1 1 A 11 11 LYS N N 11 122.715 121.336 1.379 1
1 15 . 12 1 1 A 11 11 LYS H H 11 8.255 7.251 1.004 1
1 16 . 12 1 1 A 11 11 LYS CA C 11 53.967 53.749 0.218 1
1 17 . 12 1 1 A 11 11 LYS HA H 11 4.542 4.483 0.059 1
1 18 . 12 1 1 A 11 11 LYS CB C 11 32.542 31.780 0.762 1
1 30 . 12 1 1 A 12 12 PRO CA C 12 63.013 64.919 -1.906 1
1 31 . 12 1 1 A 12 12 PRO HA H 12 4.338 4.259 0.079 1
1 32 . 12 1 1 A 12 12 PRO CB C 12 32.326 31.536 0.790 1
1 41 . 12 1 1 A 12 12 PRO C C 12 176.009 175.901 0.108 1
1 42 . 12 1 1 A 13 13 TYR N N 13 119.228 117.399 1.829 1
1 43 . 12 1 1 A 13 13 TYR H H 13 8.222 7.157 1.065 1
1 44 . 12 1 1 A 13 13 TYR CA C 13 57.803 56.892 0.911 1
1 45 . 12 1 1 A 13 13 TYR HA H 13 4.593 5.384 -0.791 1
1 46 . 12 1 1 A 13 13 TYR CB C 13 38.831 41.260 -2.429 1
1 57 . 12 1 1 A 13 13 TYR C C 13 174.614 174.993 -0.379 1
1 58 . 12 1 1 A 14 14 ILE N N 14 124.244 123.055 1.189 1
1 59 . 12 1 1 A 14 14 ILE H H 14 8.484 8.833 -0.349 1
1 60 . 12 1 1 A 14 14 ILE CA C 14 59.739 60.442 -0.703 1
1 61 . 12 1 1 A 14 14 ILE HA H 14 4.668 5.005 -0.337 1
1 62 . 12 1 1 A 14 14 ILE CB C 14 40.799 41.788 -0.989 1
1 75 . 12 1 1 A 14 14 ILE C C 14 175.726 175.011 0.715 1
1 76 . 12 1 1 A 15 15 CYS N N 15 128.675 127.840 0.835 1
1 77 . 12 1 1 A 15 15 CYS H H 15 9.226 9.434 -0.208 1
1 78 . 12 1 1 A 15 15 CYS CA C 15 59.812 59.934 -0.122 1
1 79 . 12 1 1 A 15 15 CYS HA H 15 4.528 4.670 -0.142 1
1 80 . 12 1 1 A 15 15 CYS CB C 15 29.505 28.358 1.147 1
1 83 . 12 1 1 A 15 15 CYS C C 15 176.706 175.485 1.221 1
1 84 . 12 1 1 A 16 16 ASN CA C 16 55.739 53.274 2.465 1
1 85 . 12 1 1 A 16 16 ASN HA H 16 4.510 5.008 -0.498 1
1 86 . 12 1 1 A 16 16 ASN CB C 16 38.232 38.870 -0.638 1
1 92 . 12 1 1 A 16 16 ASN C C 16 175.263 175.677 -0.414 1
1 93 . 12 1 1 A 17 17 GLU N N 17 120.356 117.942 2.414 1
1 94 . 12 1 1 A 17 17 GLU H H 17 8.711 7.953 0.758 1
1 95 . 12 1 1 A 17 17 GLU CA C 17 58.912 57.292 1.620 1
1 96 . 12 1 1 A 17 17 GLU HA H 17 4.219 4.427 -0.208 1
1 97 . 12 1 1 A 17 17 GLU CB C 17 29.263 31.140 -1.877 1
1 103 . 12 1 1 A 17 17 GLU C C 17 177.266 177.683 -0.417 1
1 104 . 12 1 1 A 18 18 CYS N N 18 114.672 114.978 -0.306 1
1 105 . 12 1 1 A 18 18 CYS H H 18 7.905 8.192 -0.287 1
1 106 . 12 1 1 A 18 18 CYS CA C 18 58.496 59.531 -1.035 1
1 107 . 12 1 1 A 18 18 CYS HA H 18 5.190 4.669 0.521 1
1 108 . 12 1 1 A 18 18 CYS CB C 18 32.571 30.013 2.558 1
1 111 . 12 1 1 A 18 18 CYS C C 18 176.232 175.466 0.766 1
1 112 . 12 1 1 A 19 19 GLY N N 19 113.745 110.096 3.649 1
1 113 . 12 1 1 A 19 19 GLY H H 19 8.367 8.183 0.184 1
1 114 . 12 1 1 A 19 19 GLY CA C 19 46.162 45.631 0.531 1
1 115 . 12 1 1 A 19 19 GLY HA2 H 19 3.760 4.056 -0.296 1
1 116 . 12 1 1 A 19 19 GLY HA3 H 19 4.235 4.063 0.172 1
1 117 . 12 1 1 A 19 19 GLY C C 19 173.727 174.324 -0.597 1
1 118 . 12 1 1 A 20 20 LYS N N 20 122.843 120.957 1.886 1
1 119 . 12 1 1 A 20 20 LYS H H 20 7.974 7.720 0.254 1
1 120 . 12 1 1 A 20 20 LYS CA C 20 58.181 54.629 3.552 1
1 121 . 12 1 1 A 20 20 LYS HA H 20 4.028 4.569 -0.541 1
1 122 . 12 1 1 A 20 20 LYS CB C 20 33.694 35.015 -1.321 1
1 134 . 12 1 1 A 20 20 LYS C C 20 173.876 174.769 -0.893 1
1 135 . 12 1 1 A 21 21 SER N N 21 115.076 120.996 -5.920 1
1 136 . 12 1 1 A 21 21 SER H H 21 7.770 8.293 -0.523 1
1 137 . 12 1 1 A 21 21 SER CA C 21 56.403 56.397 0.006 1
1 138 . 12 1 1 A 21 21 SER HA H 21 5.275 5.346 -0.071 1
1 139 . 12 1 1 A 21 21 SER CB C 21 66.263 66.094 0.169 1
1 142 . 12 1 1 A 21 21 SER C C 21 173.404 172.466 0.938 1
1 143 . 12 1 1 A 22 22 PHE N N 22 118.840 121.949 -3.109 1
1 144 . 12 1 1 A 22 22 PHE H H 22 8.924 9.069 -0.145 1
1 145 . 12 1 1 A 22 22 PHE CA C 22 57.316 56.188 1.128 1
1 146 . 12 1 1 A 22 22 PHE HA H 22 4.808 5.030 -0.222 1
1 147 . 12 1 1 A 22 22 PHE CB C 22 43.905 42.898 1.007 1
1 160 . 12 1 1 A 22 22 PHE C C 22 175.257 175.758 -0.501 1
1 161 . 12 1 1 A 23 23 ILE N N 23 119.405 120.381 -0.976 1
1 162 . 12 1 1 A 23 23 ILE H H 23 9.109 8.943 0.166 1
1 163 . 12 1 1 A 23 23 ILE CA C 23 62.857 62.925 -0.068 1
1 164 . 12 1 1 A 23 23 ILE HA H 23 4.343 4.240 0.103 1
1 165 . 12 1 1 A 23 23 ILE CB C 23 38.939 38.455 0.484 1
1 178 . 12 1 1 A 23 23 ILE C C 23 176.088 176.110 -0.022 1
1 179 . 12 1 1 A 24 24 GLN N N 24 114.920 121.786 -6.866 1
1 180 . 12 1 1 A 24 24 GLN H H 24 7.421 7.944 -0.523 1
1 181 . 12 1 1 A 24 24 GLN CA C 24 53.880 54.519 -0.639 1
1 182 . 12 1 1 A 24 24 GLN HA H 24 4.767 4.839 -0.072 1
1 183 . 12 1 1 A 24 24 GLN CB C 24 31.063 31.471 -0.408 1
1 192 . 12 1 1 A 24 24 GLN C C 24 176.179 175.332 0.847 1
1 193 . 12 1 1 A 25 25 LYS N N 25 127.347 123.985 3.362 1
1 194 . 12 1 1 A 25 25 LYS H H 25 8.616 8.359 0.257 1
1 195 . 12 1 1 A 25 25 LYS CA C 25 59.440 58.957 0.483 1
1 196 . 12 1 1 A 25 25 LYS HA H 25 2.991 2.781 0.210 1
1 197 . 12 1 1 A 25 25 LYS CB C 25 31.645 31.599 0.046 1
1 209 . 12 1 1 A 25 25 LYS C C 25 178.388 177.967 0.421 1
1 210 . 12 1 1 A 26 26 SER CA C 26 60.966 62.142 -1.176 1
1 211 . 12 1 1 A 26 26 SER HA H 26 4.070 4.031 0.039 1
1 212 . 12 1 1 A 26 26 SER CB C 26 61.804 62.962 -1.158 1
1 215 . 12 1 1 A 26 26 SER C C 26 177.389 176.463 0.926 1
1 216 . 12 1 1 A 27 27 HIS N N 27 121.710 119.490 2.220 1
1 217 . 12 1 1 A 27 27 HIS H H 27 6.907 7.781 -0.874 1
1 218 . 12 1 1 A 27 27 HIS CA C 27 57.311 58.740 -1.429 1
1 219 . 12 1 1 A 27 27 HIS HA H 27 4.396 4.176 0.220 1
1 220 . 12 1 1 A 27 27 HIS CB C 27 31.623 30.069 1.554 1
1 227 . 12 1 1 A 27 27 HIS C C 27 178.263 177.004 1.259 1
1 228 . 12 1 1 A 28 28 LEU N N 28 122.374 120.320 2.054 1
1 229 . 12 1 1 A 28 28 LEU H H 28 7.041 7.323 -0.282 1
1 230 . 12 1 1 A 28 28 LEU CA C 28 57.786 57.801 -0.015 1
1 231 . 12 1 1 A 28 28 LEU HA H 28 3.137 2.864 0.273 1
1 232 . 12 1 1 A 28 28 LEU CB C 28 40.116 41.651 -1.535 1
1 245 . 12 1 1 A 28 28 LEU C C 28 177.533 177.945 -0.412 1
1 246 . 12 1 1 A 29 29 ASN N N 29 117.551 117.086 0.465 1
1 247 . 12 1 1 A 29 29 ASN H H 29 8.313 8.278 0.035 1
1 248 . 12 1 1 A 29 29 ASN CA C 29 56.172 56.323 -0.151 1
1 249 . 12 1 1 A 29 29 ASN HA H 29 4.289 4.379 -0.090 1
1 250 . 12 1 1 A 29 29 ASN CB C 29 37.474 39.334 -1.860 1
1 256 . 12 1 1 A 29 29 ASN C C 29 177.889 177.824 0.065 1
1 257 . 12 1 1 A 30 30 ARG N N 30 119.042 119.729 -0.687 1
1 258 . 12 1 1 A 30 30 ARG H H 30 7.644 7.644 0.000 1
1 259 . 12 1 1 A 30 30 ARG CA C 30 59.123 58.789 0.334 1
1 260 . 12 1 1 A 30 30 ARG HA H 30 4.021 4.058 -0.037 1
1 261 . 12 1 1 A 30 30 ARG CB C 30 30.220 30.323 -0.103 1
1 270 . 12 1 1 A 30 30 ARG C C 30 178.562 178.380 0.182 1
1 271 . 12 1 1 A 31 31 HIS N N 31 119.736 119.614 0.122 1
1 272 . 12 1 1 A 31 31 HIS H H 31 7.693 8.125 -0.432 1
1 273 . 12 1 1 A 31 31 HIS CA C 31 59.093 59.882 -0.789 1
1 274 . 12 1 1 A 31 31 HIS HA H 31 4.219 4.058 0.161 1
1 275 . 12 1 1 A 31 31 HIS CB C 31 28.571 29.549 -0.978 1
1 282 . 12 1 1 A 31 31 HIS C C 31 176.193 176.579 -0.386 1
1 283 . 12 1 1 A 32 32 ARG N N 32 115.270 117.314 -2.044 1
1 284 . 12 1 1 A 32 32 ARG H H 32 8.284 8.352 -0.068 1
1 285 . 12 1 1 A 32 32 ARG CA C 32 59.938 59.378 0.560 1
1 286 . 12 1 1 A 32 32 ARG HA H 32 3.690 3.814 -0.124 1
1 287 . 12 1 1 A 32 32 ARG CB C 32 29.938 29.809 0.129 1
1 296 . 12 1 1 A 32 32 ARG C C 32 177.517 178.423 -0.906 1
1 297 . 12 1 1 A 33 33 ARG N N 33 117.230 117.347 -0.117 1
1 298 . 12 1 1 A 33 33 ARG H H 33 7.078 8.531 -1.453 1
1 299 . 12 1 1 A 33 33 ARG CA C 33 58.344 58.511 -0.167 1
1 300 . 12 1 1 A 33 33 ARG HA H 33 4.161 4.063 0.098 1
1 301 . 12 1 1 A 33 33 ARG CB C 33 29.905 29.606 0.299 1
1 310 . 12 1 1 A 33 33 ARG C C 33 178.467 177.522 0.945 1
1 311 . 12 1 1 A 34 34 ILE N N 34 116.308 115.990 0.318 1
1 312 . 12 1 1 A 34 34 ILE H H 34 7.826 7.601 0.225 1
1 313 . 12 1 1 A 34 34 ILE CA C 34 63.103 64.058 -0.955 1
1 314 . 12 1 1 A 34 34 ILE HA H 34 3.988 3.690 0.298 1
1 315 . 12 1 1 A 34 34 ILE CB C 34 37.701 36.997 0.704 1
1 328 . 12 1 1 A 34 34 ILE C C 34 177.295 178.027 -0.732 1
1 329 . 12 1 1 A 35 35 HIS N N 35 117.638 119.606 -1.968 1
1 330 . 12 1 1 A 35 35 HIS H H 35 7.284 7.493 -0.209 1
1 331 . 12 1 1 A 35 35 HIS CA C 35 55.201 58.601 -3.400 1
1 332 . 12 1 1 A 35 35 HIS HA H 35 4.868 4.452 0.416 1
1 333 . 12 1 1 A 35 35 HIS CB C 35 28.625 30.732 -2.107 1
1 340 . 12 1 1 A 35 35 HIS C C 35 175.837 175.309 0.528 1
1 341 . 12 1 1 A 36 36 THR N N 36 111.405 110.630 0.775 1
1 342 . 12 1 1 A 36 36 THR H H 36 7.803 7.579 0.224 1
1 343 . 12 1 1 A 36 36 THR CA C 36 62.492 62.269 0.223 1
1 344 . 12 1 1 A 36 36 THR HA H 36 4.364 4.215 0.149 1
1 345 . 12 1 1 A 36 36 THR CB C 36 69.845 68.632 1.213 1
1 351 . 12 1 1 A 36 36 THR C C 36 175.507 175.033 0.474 1
1 352 . 12 1 1 A 37 37 GLY N N 37 110.690 111.854 -1.164 1
1 353 . 12 1 1 A 37 37 GLY H H 37 8.232 8.535 -0.303 1
1 354 . 12 1 1 A 37 37 GLY CA C 37 45.429 44.522 0.907 1
1 355 . 12 1 1 A 37 37 GLY HA2 H 37 3.946 4.301 -0.355 1
1 356 . 12 1 1 A 37 37 GLY HA3 H 37 4.046 4.304 -0.258 1
1 357 . 12 1 1 A 37 37 GLY C C 37 174.088 174.062 0.026 1
1 358 . 12 1 1 A 38 38 GLU N N 38 120.568 120.569 -0.001 1
1 359 . 12 1 1 A 38 38 GLU H H 38 8.064 9.007 -0.943 1
1 360 . 12 1 1 A 38 38 GLU CA C 38 56.499 57.319 -0.820 1
1 361 . 12 1 1 A 38 38 GLU HA H 38 4.241 3.965 0.276 1
1 362 . 12 1 1 A 38 38 GLU CB C 38 30.568 28.540 2.028 1
1 368 . 12 1 1 A 38 38 GLU C C 38 176.155 176.168 -0.013 1
1 369 . 12 1 1 A 39 39 LYS N N 39 123.848 119.525 4.323 1
1 370 . 12 1 1 A 39 39 LYS H H 39 8.425 7.821 0.604 1
1 371 . 12 1 1 A 39 39 LYS CA C 39 54.028 53.030 0.998 1
1 372 . 12 1 1 A 39 39 LYS HA H 39 4.608 4.785 -0.177 1
1 373 . 12 1 1 A 39 39 LYS CB C 39 32.467 33.131 -0.664 1
1 385 . 12 1 1 A 39 39 LYS C C 39 174.487 174.778 -0.291 1
1 386 . 12 1 1 A 40 40 PRO CA C 40 63.260 64.463 -1.203 1
1 387 . 12 1 1 A 40 40 PRO HA H 40 4.467 4.533 -0.066 1
1 388 . 12 1 1 A 40 40 PRO CB C 40 32.180 31.837 0.343 1
1 397 . 12 1 1 A 42 42 GLY CA C 42 44.682 45.729 -1.047 1
1 398 . 12 1 1 A 42 42 GLY HA2 H 42 4.145 4.183 -0.038 1
1 399 . 12 1 1 A 42 42 GLY HA3 H 42 4.145 4.183 -0.038 1
1 400 . 12 1 1 A 43 43 PRO CA C 43 63.122 62.781 0.341 1
1 401 . 12 1 1 A 43 43 PRO HA H 43 4.464 4.723 -0.259 1
1 402 . 12 1 1 A 43 43 PRO CB C 43 32.215 31.485 0.730 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.332 45.703 -0.371 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 3.946 4.190 -0.244 1
1 3 . 13 1 1 A 9 9 GLY HA3 H 9 3.973 4.200 -0.227 1
1 4 . 13 1 1 A 10 10 GLU N N 10 120.577 118.849 1.728 1
1 5 . 13 1 1 A 10 10 GLU H H 10 8.220 8.465 -0.245 1
1 6 . 13 1 1 A 10 10 GLU CA C 10 56.615 55.667 0.948 1
1 7 . 13 1 1 A 10 10 GLU HA H 10 4.230 4.534 -0.304 1
1 8 . 13 1 1 A 10 10 GLU CB C 10 30.561 29.859 0.702 1
1 14 . 13 1 1 A 11 11 LYS N N 11 122.715 119.480 3.235 1
1 15 . 13 1 1 A 11 11 LYS H H 11 8.255 7.329 0.926 1
1 16 . 13 1 1 A 11 11 LYS CA C 11 53.967 53.159 0.808 1
1 17 . 13 1 1 A 11 11 LYS HA H 11 4.542 4.660 -0.118 1
1 18 . 13 1 1 A 11 11 LYS CB C 11 32.542 33.163 -0.621 1
1 30 . 13 1 1 A 12 12 PRO CA C 12 63.013 65.002 -1.989 1
1 31 . 13 1 1 A 12 12 PRO HA H 12 4.338 4.242 0.096 1
1 32 . 13 1 1 A 12 12 PRO CB C 12 32.326 31.476 0.850 1
1 41 . 13 1 1 A 12 12 PRO C C 12 176.009 175.903 0.106 1
1 42 . 13 1 1 A 13 13 TYR N N 13 119.228 117.465 1.763 1
1 43 . 13 1 1 A 13 13 TYR H H 13 8.222 7.557 0.665 1
1 44 . 13 1 1 A 13 13 TYR CA C 13 57.803 57.746 0.057 1
1 45 . 13 1 1 A 13 13 TYR HA H 13 4.593 4.876 -0.283 1
1 46 . 13 1 1 A 13 13 TYR CB C 13 38.831 39.485 -0.654 1
1 57 . 13 1 1 A 13 13 TYR C C 13 174.614 176.068 -1.454 1
1 58 . 13 1 1 A 14 14 ILE N N 14 124.244 123.545 0.699 1
1 59 . 13 1 1 A 14 14 ILE H H 14 8.484 8.895 -0.411 1
1 60 . 13 1 1 A 14 14 ILE CA C 14 59.739 60.037 -0.298 1
1 61 . 13 1 1 A 14 14 ILE HA H 14 4.668 5.118 -0.450 1
1 62 . 13 1 1 A 14 14 ILE CB C 14 40.799 42.038 -1.239 1
1 75 . 13 1 1 A 14 14 ILE C C 14 175.726 174.691 1.035 1
1 76 . 13 1 1 A 15 15 CYS N N 15 128.675 126.890 1.785 1
1 77 . 13 1 1 A 15 15 CYS H H 15 9.226 9.102 0.124 1
1 78 . 13 1 1 A 15 15 CYS CA C 15 59.812 59.140 0.672 1
1 79 . 13 1 1 A 15 15 CYS HA H 15 4.528 4.807 -0.279 1
1 80 . 13 1 1 A 15 15 CYS CB C 15 29.505 29.133 0.372 1
1 83 . 13 1 1 A 15 15 CYS C C 15 176.706 174.912 1.794 1
1 84 . 13 1 1 A 16 16 ASN CA C 16 55.739 54.196 1.543 1
1 85 . 13 1 1 A 16 16 ASN HA H 16 4.510 4.973 -0.463 1
1 86 . 13 1 1 A 16 16 ASN CB C 16 38.232 39.646 -1.414 1
1 92 . 13 1 1 A 16 16 ASN C C 16 175.263 177.025 -1.762 1
1 93 . 13 1 1 A 17 17 GLU N N 17 120.356 121.000 -0.644 1
1 94 . 13 1 1 A 17 17 GLU H H 17 8.711 7.873 0.838 1
1 95 . 13 1 1 A 17 17 GLU CA C 17 58.912 58.760 0.152 1
1 96 . 13 1 1 A 17 17 GLU HA H 17 4.219 3.952 0.267 1
1 97 . 13 1 1 A 17 17 GLU CB C 17 29.263 29.212 0.051 1
1 103 . 13 1 1 A 17 17 GLU C C 17 177.266 178.379 -1.113 1
1 104 . 13 1 1 A 18 18 CYS N N 18 114.672 114.605 0.067 1
1 105 . 13 1 1 A 18 18 CYS H H 18 7.905 7.759 0.146 1
1 106 . 13 1 1 A 18 18 CYS CA C 18 58.496 59.789 -1.293 1
1 107 . 13 1 1 A 18 18 CYS HA H 18 5.190 4.503 0.687 1
1 108 . 13 1 1 A 18 18 CYS CB C 18 32.571 29.430 3.141 1
1 111 . 13 1 1 A 18 18 CYS C C 18 176.232 175.567 0.665 1
1 112 . 13 1 1 A 19 19 GLY N N 19 113.745 110.135 3.610 1
1 113 . 13 1 1 A 19 19 GLY H H 19 8.367 8.302 0.065 1
1 114 . 13 1 1 A 19 19 GLY CA C 19 46.162 46.282 -0.120 1
1 115 . 13 1 1 A 19 19 GLY HA2 H 19 3.760 3.980 -0.220 1
1 116 . 13 1 1 A 19 19 GLY HA3 H 19 4.235 4.002 0.233 1
1 117 . 13 1 1 A 19 19 GLY C C 19 173.727 174.307 -0.580 1
1 118 . 13 1 1 A 20 20 LYS N N 20 122.843 120.964 1.879 1
1 119 . 13 1 1 A 20 20 LYS H H 20 7.974 7.694 0.280 1
1 120 . 13 1 1 A 20 20 LYS CA C 20 58.181 54.648 3.533 1
1 121 . 13 1 1 A 20 20 LYS HA H 20 4.028 4.620 -0.592 1
1 122 . 13 1 1 A 20 20 LYS CB C 20 33.694 35.032 -1.338 1
1 134 . 13 1 1 A 20 20 LYS C C 20 173.876 175.400 -1.524 1
1 135 . 13 1 1 A 21 21 SER N N 21 115.076 115.140 -0.064 1
1 136 . 13 1 1 A 21 21 SER H H 21 7.770 8.436 -0.666 1
1 137 . 13 1 1 A 21 21 SER CA C 21 56.403 55.238 1.165 1
1 138 . 13 1 1 A 21 21 SER HA H 21 5.275 5.402 -0.127 1
1 139 . 13 1 1 A 21 21 SER CB C 21 66.263 66.143 0.120 1
1 142 . 13 1 1 A 21 21 SER C C 21 173.404 173.008 0.396 1
1 143 . 13 1 1 A 22 22 PHE N N 22 118.840 117.135 1.705 1
1 144 . 13 1 1 A 22 22 PHE H H 22 8.924 8.248 0.676 1
1 145 . 13 1 1 A 22 22 PHE CA C 22 57.316 56.598 0.718 1
1 146 . 13 1 1 A 22 22 PHE HA H 22 4.808 5.033 -0.225 1
1 147 . 13 1 1 A 22 22 PHE CB C 22 43.905 44.156 -0.251 1
1 160 . 13 1 1 A 22 22 PHE C C 22 175.257 174.947 0.310 1
1 161 . 13 1 1 A 23 23 ILE N N 23 119.405 117.551 1.854 1
1 162 . 13 1 1 A 23 23 ILE H H 23 9.109 8.633 0.476 1
1 163 . 13 1 1 A 23 23 ILE CA C 23 62.857 61.073 1.784 1
1 164 . 13 1 1 A 23 23 ILE HA H 23 4.343 4.627 -0.284 1
1 165 . 13 1 1 A 23 23 ILE CB C 23 38.939 39.612 -0.673 1
1 178 . 13 1 1 A 23 23 ILE C C 23 176.088 175.431 0.657 1
1 179 . 13 1 1 A 24 24 GLN N N 24 114.920 121.629 -6.709 1
1 180 . 13 1 1 A 24 24 GLN H H 24 7.421 7.623 -0.202 1
1 181 . 13 1 1 A 24 24 GLN CA C 24 53.880 54.271 -0.391 1
1 182 . 13 1 1 A 24 24 GLN HA H 24 4.767 4.703 0.064 1
1 183 . 13 1 1 A 24 24 GLN CB C 24 31.063 30.984 0.079 1
1 192 . 13 1 1 A 24 24 GLN C C 24 176.179 175.252 0.927 1
1 193 . 13 1 1 A 25 25 LYS N N 25 127.347 125.131 2.216 1
1 194 . 13 1 1 A 25 25 LYS H H 25 8.616 8.654 -0.038 1
1 195 . 13 1 1 A 25 25 LYS CA C 25 59.440 59.056 0.384 1
1 196 . 13 1 1 A 25 25 LYS HA H 25 2.991 2.999 -0.008 1
1 197 . 13 1 1 A 25 25 LYS CB C 25 31.645 31.725 -0.080 1
1 209 . 13 1 1 A 25 25 LYS C C 25 178.388 177.860 0.528 1
1 210 . 13 1 1 A 26 26 SER CA C 26 60.966 62.315 -1.349 1
1 211 . 13 1 1 A 26 26 SER HA H 26 4.070 4.136 -0.066 1
1 212 . 13 1 1 A 26 26 SER CB C 26 61.804 63.258 -1.454 1
1 215 . 13 1 1 A 26 26 SER C C 26 177.389 176.655 0.734 1
1 216 . 13 1 1 A 27 27 HIS N N 27 121.710 119.336 2.374 1
1 217 . 13 1 1 A 27 27 HIS H H 27 6.907 7.820 -0.913 1
1 218 . 13 1 1 A 27 27 HIS CA C 27 57.311 58.985 -1.674 1
1 219 . 13 1 1 A 27 27 HIS HA H 27 4.396 4.230 0.166 1
1 220 . 13 1 1 A 27 27 HIS CB C 27 31.623 29.725 1.898 1
1 227 . 13 1 1 A 27 27 HIS C C 27 178.263 177.480 0.783 1
1 228 . 13 1 1 A 28 28 LEU N N 28 122.374 120.677 1.697 1
1 229 . 13 1 1 A 28 28 LEU H H 28 7.041 7.554 -0.513 1
1 230 . 13 1 1 A 28 28 LEU CA C 28 57.786 57.601 0.185 1
1 231 . 13 1 1 A 28 28 LEU HA H 28 3.137 3.140 -0.003 1
1 232 . 13 1 1 A 28 28 LEU CB C 28 40.116 41.603 -1.487 1
1 245 . 13 1 1 A 28 28 LEU C C 28 177.533 177.913 -0.380 1
1 246 . 13 1 1 A 29 29 ASN N N 29 117.551 116.979 0.572 1
1 247 . 13 1 1 A 29 29 ASN H H 29 8.313 8.085 0.228 1
1 248 . 13 1 1 A 29 29 ASN CA C 29 56.172 56.232 -0.060 1
1 249 . 13 1 1 A 29 29 ASN HA H 29 4.289 4.427 -0.138 1
1 250 . 13 1 1 A 29 29 ASN CB C 29 37.474 39.069 -1.595 1
1 256 . 13 1 1 A 29 29 ASN C C 29 177.889 177.465 0.424 1
1 257 . 13 1 1 A 30 30 ARG N N 30 119.042 119.688 -0.646 1
1 258 . 13 1 1 A 30 30 ARG H H 30 7.644 7.787 -0.143 1
1 259 . 13 1 1 A 30 30 ARG CA C 30 59.123 58.339 0.784 1
1 260 . 13 1 1 A 30 30 ARG HA H 30 4.021 4.048 -0.027 1
1 261 . 13 1 1 A 30 30 ARG CB C 30 30.220 29.795 0.425 1
1 270 . 13 1 1 A 30 30 ARG C C 30 178.562 178.589 -0.027 1
1 271 . 13 1 1 A 31 31 HIS N N 31 119.736 119.318 0.418 1
1 272 . 13 1 1 A 31 31 HIS H H 31 7.693 8.426 -0.733 1
1 273 . 13 1 1 A 31 31 HIS CA C 31 59.093 59.098 -0.005 1
1 274 . 13 1 1 A 31 31 HIS HA H 31 4.219 4.149 0.070 1
1 275 . 13 1 1 A 31 31 HIS CB C 31 28.571 29.745 -1.174 1
1 282 . 13 1 1 A 31 31 HIS C C 31 176.193 177.363 -1.170 1
1 283 . 13 1 1 A 32 32 ARG N N 32 115.270 117.919 -2.649 1
1 284 . 13 1 1 A 32 32 ARG H H 32 8.284 8.507 -0.223 1
1 285 . 13 1 1 A 32 32 ARG CA C 32 59.938 59.299 0.639 1
1 286 . 13 1 1 A 32 32 ARG HA H 32 3.690 3.995 -0.305 1
1 287 . 13 1 1 A 32 32 ARG CB C 32 29.938 29.701 0.237 1
1 296 . 13 1 1 A 32 32 ARG C C 32 177.517 179.522 -2.005 1
1 297 . 13 1 1 A 33 33 ARG N N 33 117.230 119.257 -2.027 1
1 298 . 13 1 1 A 33 33 ARG H H 33 7.078 7.765 -0.687 1
1 299 . 13 1 1 A 33 33 ARG CA C 33 58.344 59.170 -0.826 1
1 300 . 13 1 1 A 33 33 ARG HA H 33 4.161 4.023 0.138 1
1 301 . 13 1 1 A 33 33 ARG CB C 33 29.905 30.403 -0.498 1
1 310 . 13 1 1 A 33 33 ARG C C 33 178.467 178.892 -0.425 1
1 311 . 13 1 1 A 34 34 ILE N N 34 116.308 118.000 -1.692 1
1 312 . 13 1 1 A 34 34 ILE H H 34 7.826 7.781 0.045 1
1 313 . 13 1 1 A 34 34 ILE CA C 34 63.103 64.035 -0.932 1
1 314 . 13 1 1 A 34 34 ILE HA H 34 3.988 3.752 0.236 1
1 315 . 13 1 1 A 34 34 ILE CB C 34 37.701 37.173 0.528 1
1 328 . 13 1 1 A 34 34 ILE C C 34 177.295 177.215 0.080 1
1 329 . 13 1 1 A 35 35 HIS N N 35 117.638 120.579 -2.941 1
1 330 . 13 1 1 A 35 35 HIS H H 35 7.284 7.283 0.001 1
1 331 . 13 1 1 A 35 35 HIS CA C 35 55.201 58.849 -3.648 1
1 332 . 13 1 1 A 35 35 HIS HA H 35 4.868 4.485 0.383 1
1 333 . 13 1 1 A 35 35 HIS CB C 35 28.625 30.467 -1.842 1
1 340 . 13 1 1 A 35 35 HIS C C 35 175.837 175.249 0.588 1
1 341 . 13 1 1 A 36 36 THR N N 36 111.405 113.450 -2.045 1
1 342 . 13 1 1 A 36 36 THR H H 36 7.803 7.535 0.268 1
1 343 . 13 1 1 A 36 36 THR CA C 36 62.492 62.962 -0.470 1
1 344 . 13 1 1 A 36 36 THR HA H 36 4.364 3.921 0.443 1
1 345 . 13 1 1 A 36 36 THR CB C 36 69.845 67.099 2.746 1
1 351 . 13 1 1 A 36 36 THR C C 36 175.507 173.543 1.964 1
1 352 . 13 1 1 A 37 37 GLY N N 37 110.690 109.828 0.862 1
1 353 . 13 1 1 A 37 37 GLY H H 37 8.232 8.187 0.045 1
1 354 . 13 1 1 A 37 37 GLY CA C 37 45.429 45.138 0.291 1
1 355 . 13 1 1 A 37 37 GLY HA2 H 37 3.946 4.063 -0.117 1
1 356 . 13 1 1 A 37 37 GLY HA3 H 37 4.046 4.070 -0.024 1
1 357 . 13 1 1 A 37 37 GLY C C 37 174.088 172.676 1.412 1
1 358 . 13 1 1 A 38 38 GLU N N 38 120.568 121.810 -1.242 1
1 359 . 13 1 1 A 38 38 GLU H H 38 8.064 8.839 -0.775 1
1 360 . 13 1 1 A 38 38 GLU CA C 38 56.499 54.858 1.641 1
1 361 . 13 1 1 A 38 38 GLU HA H 38 4.241 5.153 -0.912 1
1 362 . 13 1 1 A 38 38 GLU CB C 38 30.568 33.851 -3.283 1
1 368 . 13 1 1 A 38 38 GLU C C 38 176.155 174.032 2.123 1
1 369 . 13 1 1 A 39 39 LYS N N 39 123.848 123.039 0.809 1
1 370 . 13 1 1 A 39 39 LYS H H 39 8.425 8.910 -0.485 1
1 371 . 13 1 1 A 39 39 LYS CA C 39 54.028 52.789 1.239 1
1 372 . 13 1 1 A 39 39 LYS HA H 39 4.608 4.996 -0.388 1
1 373 . 13 1 1 A 39 39 LYS CB C 39 32.467 33.834 -1.367 1
1 385 . 13 1 1 A 39 39 LYS C C 39 174.487 174.477 0.010 1
1 386 . 13 1 1 A 40 40 PRO CA C 40 63.260 62.620 0.640 1
1 387 . 13 1 1 A 40 40 PRO HA H 40 4.467 4.742 -0.275 1
1 388 . 13 1 1 A 40 40 PRO CB C 40 32.180 29.912 2.268 1
1 397 . 13 1 1 A 42 42 GLY CA C 42 44.682 44.410 0.272 1
1 398 . 13 1 1 A 42 42 GLY HA2 H 42 4.145 4.109 0.036 1
1 399 . 13 1 1 A 42 42 GLY HA3 H 42 4.145 4.109 0.036 1
1 400 . 13 1 1 A 43 43 PRO CA C 43 63.122 64.257 -1.135 1
1 401 . 13 1 1 A 43 43 PRO HA H 43 4.464 4.499 -0.035 1
1 402 . 13 1 1 A 43 43 PRO CB C 43 32.215 31.951 0.264 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.332 44.717 0.615 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 3.946 4.076 -0.130 1
1 3 . 14 1 1 A 9 9 GLY HA3 H 9 3.973 4.076 -0.103 1
1 4 . 14 1 1 A 10 10 GLU N N 10 120.577 120.554 0.023 1
1 5 . 14 1 1 A 10 10 GLU H H 10 8.220 8.445 -0.225 1
1 6 . 14 1 1 A 10 10 GLU CA C 10 56.615 55.752 0.863 1
1 7 . 14 1 1 A 10 10 GLU HA H 10 4.230 4.867 -0.637 1
1 8 . 14 1 1 A 10 10 GLU CB C 10 30.561 30.927 -0.366 1
1 14 . 14 1 1 A 11 11 LYS N N 11 122.715 121.687 1.028 1
1 15 . 14 1 1 A 11 11 LYS H H 11 8.255 8.368 -0.113 1
1 16 . 14 1 1 A 11 11 LYS CA C 11 53.967 52.785 1.182 1
1 17 . 14 1 1 A 11 11 LYS HA H 11 4.542 4.822 -0.280 1
1 18 . 14 1 1 A 11 11 LYS CB C 11 32.542 34.334 -1.792 1
1 30 . 14 1 1 A 12 12 PRO CA C 12 63.013 64.806 -1.793 1
1 31 . 14 1 1 A 12 12 PRO HA H 12 4.338 4.272 0.066 1
1 32 . 14 1 1 A 12 12 PRO CB C 12 32.326 31.648 0.678 1
1 41 . 14 1 1 A 12 12 PRO C C 12 176.009 175.958 0.051 1
1 42 . 14 1 1 A 13 13 TYR N N 13 119.228 117.781 1.447 1
1 43 . 14 1 1 A 13 13 TYR H H 13 8.222 7.674 0.548 1
1 44 . 14 1 1 A 13 13 TYR CA C 13 57.803 57.710 0.093 1
1 45 . 14 1 1 A 13 13 TYR HA H 13 4.593 4.871 -0.278 1
1 46 . 14 1 1 A 13 13 TYR CB C 13 38.831 39.934 -1.103 1
1 57 . 14 1 1 A 13 13 TYR C C 13 174.614 175.829 -1.215 1
1 58 . 14 1 1 A 14 14 ILE N N 14 124.244 123.231 1.013 1
1 59 . 14 1 1 A 14 14 ILE H H 14 8.484 8.861 -0.377 1
1 60 . 14 1 1 A 14 14 ILE CA C 14 59.739 60.686 -0.947 1
1 61 . 14 1 1 A 14 14 ILE HA H 14 4.668 4.858 -0.190 1
1 62 . 14 1 1 A 14 14 ILE CB C 14 40.799 40.974 -0.175 1
1 75 . 14 1 1 A 14 14 ILE C C 14 175.726 175.217 0.509 1
1 76 . 14 1 1 A 15 15 CYS N N 15 128.675 127.511 1.164 1
1 77 . 14 1 1 A 15 15 CYS H H 15 9.226 9.186 0.040 1
1 78 . 14 1 1 A 15 15 CYS CA C 15 59.812 59.634 0.178 1
1 79 . 14 1 1 A 15 15 CYS HA H 15 4.528 4.521 0.007 1
1 80 . 14 1 1 A 15 15 CYS CB C 15 29.505 29.159 0.346 1
1 83 . 14 1 1 A 15 15 CYS C C 15 176.706 174.703 2.003 1
1 84 . 14 1 1 A 16 16 ASN CA C 16 55.739 53.623 2.116 1
1 85 . 14 1 1 A 16 16 ASN HA H 16 4.510 4.866 -0.356 1
1 86 . 14 1 1 A 16 16 ASN CB C 16 38.232 40.350 -2.118 1
1 92 . 14 1 1 A 16 16 ASN C C 16 175.263 177.481 -2.218 1
1 93 . 14 1 1 A 17 17 GLU N N 17 120.356 118.767 1.589 1
1 94 . 14 1 1 A 17 17 GLU H H 17 8.711 7.878 0.833 1
1 95 . 14 1 1 A 17 17 GLU CA C 17 58.912 59.107 -0.195 1
1 96 . 14 1 1 A 17 17 GLU HA H 17 4.219 3.928 0.291 1
1 97 . 14 1 1 A 17 17 GLU CB C 17 29.263 29.243 0.020 1
1 103 . 14 1 1 A 17 17 GLU C C 17 177.266 178.014 -0.748 1
1 104 . 14 1 1 A 18 18 CYS N N 18 114.672 114.992 -0.320 1
1 105 . 14 1 1 A 18 18 CYS H H 18 7.905 7.978 -0.073 1
1 106 . 14 1 1 A 18 18 CYS CA C 18 58.496 59.563 -1.067 1
1 107 . 14 1 1 A 18 18 CYS HA H 18 5.190 4.670 0.520 1
1 108 . 14 1 1 A 18 18 CYS CB C 18 32.571 30.006 2.565 1
1 111 . 14 1 1 A 18 18 CYS C C 18 176.232 175.572 0.660 1
1 112 . 14 1 1 A 19 19 GLY N N 19 113.745 110.412 3.333 1
1 113 . 14 1 1 A 19 19 GLY H H 19 8.367 8.224 0.143 1
1 114 . 14 1 1 A 19 19 GLY CA C 19 46.162 45.164 0.998 1
1 115 . 14 1 1 A 19 19 GLY HA2 H 19 3.760 4.060 -0.300 1
1 116 . 14 1 1 A 19 19 GLY HA3 H 19 4.235 4.074 0.161 1
1 117 . 14 1 1 A 19 19 GLY C C 19 173.727 174.530 -0.803 1
1 118 . 14 1 1 A 20 20 LYS N N 20 122.843 122.451 0.392 1
1 119 . 14 1 1 A 20 20 LYS H H 20 7.974 7.559 0.415 1
1 120 . 14 1 1 A 20 20 LYS CA C 20 58.181 55.799 2.382 1
1 121 . 14 1 1 A 20 20 LYS HA H 20 4.028 4.251 -0.223 1
1 122 . 14 1 1 A 20 20 LYS CB C 20 33.694 33.609 0.085 1
1 134 . 14 1 1 A 20 20 LYS C C 20 173.876 175.504 -1.628 1
1 135 . 14 1 1 A 21 21 SER N N 21 115.076 116.484 -1.408 1
1 136 . 14 1 1 A 21 21 SER H H 21 7.770 8.255 -0.485 1
1 137 . 14 1 1 A 21 21 SER CA C 21 56.403 55.497 0.906 1
1 138 . 14 1 1 A 21 21 SER HA H 21 5.275 5.367 -0.092 1
1 139 . 14 1 1 A 21 21 SER CB C 21 66.263 66.016 0.247 1
1 142 . 14 1 1 A 21 21 SER C C 21 173.404 173.145 0.259 1
1 143 . 14 1 1 A 22 22 PHE N N 22 118.840 117.615 1.225 1
1 144 . 14 1 1 A 22 22 PHE H H 22 8.924 8.447 0.477 1
1 145 . 14 1 1 A 22 22 PHE CA C 22 57.316 56.525 0.791 1
1 146 . 14 1 1 A 22 22 PHE HA H 22 4.808 5.014 -0.206 1
1 147 . 14 1 1 A 22 22 PHE CB C 22 43.905 44.154 -0.249 1
1 160 . 14 1 1 A 22 22 PHE C C 22 175.257 174.850 0.407 1
1 161 . 14 1 1 A 23 23 ILE N N 23 119.405 118.510 0.895 1
1 162 . 14 1 1 A 23 23 ILE H H 23 9.109 8.559 0.550 1
1 163 . 14 1 1 A 23 23 ILE CA C 23 62.857 61.253 1.604 1
1 164 . 14 1 1 A 23 23 ILE HA H 23 4.343 4.574 -0.231 1
1 165 . 14 1 1 A 23 23 ILE CB C 23 38.939 39.712 -0.773 1
1 178 . 14 1 1 A 23 23 ILE C C 23 176.088 175.859 0.229 1
1 179 . 14 1 1 A 24 24 GLN N N 24 114.920 122.537 -7.617 1
1 180 . 14 1 1 A 24 24 GLN H H 24 7.421 7.560 -0.139 1
1 181 . 14 1 1 A 24 24 GLN CA C 24 53.880 54.644 -0.764 1
1 182 . 14 1 1 A 24 24 GLN HA H 24 4.767 4.634 0.133 1
1 183 . 14 1 1 A 24 24 GLN CB C 24 31.063 29.961 1.102 1
1 192 . 14 1 1 A 24 24 GLN C C 24 176.179 176.811 -0.632 1
1 193 . 14 1 1 A 25 25 LYS N N 25 127.347 124.269 3.078 1
1 194 . 14 1 1 A 25 25 LYS H H 25 8.616 9.092 -0.476 1
1 195 . 14 1 1 A 25 25 LYS CA C 25 59.440 59.051 0.389 1
1 196 . 14 1 1 A 25 25 LYS HA H 25 2.991 3.529 -0.538 1
1 197 . 14 1 1 A 25 25 LYS CB C 25 31.645 32.004 -0.359 1
1 209 . 14 1 1 A 25 25 LYS C C 25 178.388 178.465 -0.077 1
1 210 . 14 1 1 A 26 26 SER CA C 26 60.966 61.431 -0.465 1
1 211 . 14 1 1 A 26 26 SER HA H 26 4.070 4.146 -0.076 1
1 212 . 14 1 1 A 26 26 SER CB C 26 61.804 62.424 -0.620 1
1 215 . 14 1 1 A 26 26 SER C C 26 177.389 177.047 0.342 1
1 216 . 14 1 1 A 27 27 HIS N N 27 121.710 118.714 2.996 1
1 217 . 14 1 1 A 27 27 HIS H H 27 6.907 7.943 -1.036 1
1 218 . 14 1 1 A 27 27 HIS CA C 27 57.311 58.601 -1.290 1
1 219 . 14 1 1 A 27 27 HIS HA H 27 4.396 4.216 0.180 1
1 220 . 14 1 1 A 27 27 HIS CB C 27 31.623 29.752 1.871 1
1 227 . 14 1 1 A 27 27 HIS C C 27 178.263 177.324 0.939 1
1 228 . 14 1 1 A 28 28 LEU N N 28 122.374 120.695 1.679 1
1 229 . 14 1 1 A 28 28 LEU H H 28 7.041 7.474 -0.433 1
1 230 . 14 1 1 A 28 28 LEU CA C 28 57.786 57.710 0.076 1
1 231 . 14 1 1 A 28 28 LEU HA H 28 3.137 3.193 -0.056 1
1 232 . 14 1 1 A 28 28 LEU CB C 28 40.116 41.720 -1.604 1
1 245 . 14 1 1 A 28 28 LEU C C 28 177.533 177.972 -0.439 1
1 246 . 14 1 1 A 29 29 ASN N N 29 117.551 116.665 0.886 1
1 247 . 14 1 1 A 29 29 ASN H H 29 8.313 7.844 0.469 1
1 248 . 14 1 1 A 29 29 ASN CA C 29 56.172 56.512 -0.340 1
1 249 . 14 1 1 A 29 29 ASN HA H 29 4.289 4.372 -0.083 1
1 250 . 14 1 1 A 29 29 ASN CB C 29 37.474 38.921 -1.447 1
1 256 . 14 1 1 A 29 29 ASN C C 29 177.889 177.986 -0.097 1
1 257 . 14 1 1 A 30 30 ARG N N 30 119.042 119.976 -0.934 1
1 258 . 14 1 1 A 30 30 ARG H H 30 7.644 7.984 -0.340 1
1 259 . 14 1 1 A 30 30 ARG CA C 30 59.123 58.785 0.338 1
1 260 . 14 1 1 A 30 30 ARG HA H 30 4.021 4.023 -0.002 1
1 261 . 14 1 1 A 30 30 ARG CB C 30 30.220 29.933 0.287 1
1 270 . 14 1 1 A 30 30 ARG C C 30 178.562 178.174 0.388 1
1 271 . 14 1 1 A 31 31 HIS N N 31 119.736 119.321 0.415 1
1 272 . 14 1 1 A 31 31 HIS H H 31 7.693 7.975 -0.282 1
1 273 . 14 1 1 A 31 31 HIS CA C 31 59.093 59.752 -0.659 1
1 274 . 14 1 1 A 31 31 HIS HA H 31 4.219 3.998 0.221 1
1 275 . 14 1 1 A 31 31 HIS CB C 31 28.571 29.464 -0.893 1
1 282 . 14 1 1 A 31 31 HIS C C 31 176.193 176.286 -0.093 1
1 283 . 14 1 1 A 32 32 ARG N N 32 115.270 117.569 -2.299 1
1 284 . 14 1 1 A 32 32 ARG H H 32 8.284 8.220 0.064 1
1 285 . 14 1 1 A 32 32 ARG CA C 32 59.938 59.288 0.650 1
1 286 . 14 1 1 A 32 32 ARG HA H 32 3.690 3.761 -0.071 1
1 287 . 14 1 1 A 32 32 ARG CB C 32 29.938 30.017 -0.079 1
1 296 . 14 1 1 A 32 32 ARG C C 32 177.517 178.523 -1.006 1
1 297 . 14 1 1 A 33 33 ARG N N 33 117.230 117.347 -0.117 1
1 298 . 14 1 1 A 33 33 ARG H H 33 7.078 8.493 -1.415 1
1 299 . 14 1 1 A 33 33 ARG CA C 33 58.344 58.564 -0.220 1
1 300 . 14 1 1 A 33 33 ARG HA H 33 4.161 4.026 0.135 1
1 301 . 14 1 1 A 33 33 ARG CB C 33 29.905 30.041 -0.136 1
1 310 . 14 1 1 A 33 33 ARG C C 33 178.467 177.682 0.785 1
1 311 . 14 1 1 A 34 34 ILE N N 34 116.308 115.963 0.345 1
1 312 . 14 1 1 A 34 34 ILE H H 34 7.826 7.895 -0.069 1
1 313 . 14 1 1 A 34 34 ILE CA C 34 63.103 63.329 -0.226 1
1 314 . 14 1 1 A 34 34 ILE HA H 34 3.988 3.748 0.240 1
1 315 . 14 1 1 A 34 34 ILE CB C 34 37.701 37.239 0.462 1
1 328 . 14 1 1 A 34 34 ILE C C 34 177.295 176.650 0.645 1
1 329 . 14 1 1 A 35 35 HIS N N 35 117.638 119.666 -2.028 1
1 330 . 14 1 1 A 35 35 HIS H H 35 7.284 7.843 -0.559 1
1 331 . 14 1 1 A 35 35 HIS CA C 35 55.201 54.639 0.562 1
1 332 . 14 1 1 A 35 35 HIS HA H 35 4.868 4.728 0.140 1
1 333 . 14 1 1 A 35 35 HIS CB C 35 28.625 27.733 0.892 1
1 340 . 14 1 1 A 35 35 HIS C C 35 175.837 173.869 1.968 1
1 341 . 14 1 1 A 36 36 THR N N 36 111.405 109.869 1.536 1
1 342 . 14 1 1 A 36 36 THR H H 36 7.803 7.753 0.050 1
1 343 . 14 1 1 A 36 36 THR CA C 36 62.492 60.407 2.085 1
1 344 . 14 1 1 A 36 36 THR HA H 36 4.364 5.192 -0.828 1
1 345 . 14 1 1 A 36 36 THR CB C 36 69.845 71.021 -1.176 1
1 351 . 14 1 1 A 36 36 THR C C 36 175.507 173.314 2.193 1
1 352 . 14 1 1 A 37 37 GLY N N 37 110.690 109.177 1.513 1
1 353 . 14 1 1 A 37 37 GLY H H 37 8.232 8.394 -0.162 1
1 354 . 14 1 1 A 37 37 GLY CA C 37 45.429 45.802 -0.373 1
1 355 . 14 1 1 A 37 37 GLY HA2 H 37 3.946 4.167 -0.221 1
1 356 . 14 1 1 A 37 37 GLY HA3 H 37 4.046 4.169 -0.123 1
1 357 . 14 1 1 A 37 37 GLY C C 37 174.088 173.297 0.791 1
1 358 . 14 1 1 A 38 38 GLU N N 38 120.568 120.971 -0.403 1
1 359 . 14 1 1 A 38 38 GLU H H 38 8.064 8.425 -0.361 1
1 360 . 14 1 1 A 38 38 GLU CA C 38 56.499 56.669 -0.170 1
1 361 . 14 1 1 A 38 38 GLU HA H 38 4.241 4.264 -0.023 1
1 362 . 14 1 1 A 38 38 GLU CB C 38 30.568 30.245 0.323 1
1 368 . 14 1 1 A 38 38 GLU C C 38 176.155 175.703 0.452 1
1 369 . 14 1 1 A 39 39 LYS N N 39 123.848 123.059 0.789 1
1 370 . 14 1 1 A 39 39 LYS H H 39 8.425 8.454 -0.029 1
1 371 . 14 1 1 A 39 39 LYS CA C 39 54.028 54.053 -0.025 1
1 372 . 14 1 1 A 39 39 LYS HA H 39 4.608 4.609 -0.001 1
1 373 . 14 1 1 A 39 39 LYS CB C 39 32.467 36.180 -3.713 1
1 385 . 14 1 1 A 39 39 LYS C C 39 174.487 175.296 -0.809 1
1 386 . 14 1 1 A 40 40 PRO CA C 40 63.260 64.420 -1.160 1
1 387 . 14 1 1 A 40 40 PRO HA H 40 4.467 4.472 -0.005 1
1 388 . 14 1 1 A 40 40 PRO CB C 40 32.180 31.921 0.259 1
1 397 . 14 1 1 A 42 42 GLY CA C 42 44.682 43.933 0.749 1
1 398 . 14 1 1 A 42 42 GLY HA2 H 42 4.145 4.219 -0.074 1
1 399 . 14 1 1 A 42 42 GLY HA3 H 42 4.145 4.219 -0.074 1
1 400 . 14 1 1 A 43 43 PRO CA C 43 63.122 62.777 0.345 1
1 401 . 14 1 1 A 43 43 PRO HA H 43 4.464 4.715 -0.251 1
1 402 . 14 1 1 A 43 43 PRO CB C 43 32.215 31.927 0.288 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.332 45.020 0.312 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 3.946 4.203 -0.257 1
1 3 . 15 1 1 A 9 9 GLY HA3 H 9 3.973 4.205 -0.232 1
1 4 . 15 1 1 A 10 10 GLU N N 10 120.577 117.731 2.846 1
1 5 . 15 1 1 A 10 10 GLU H H 10 8.220 8.762 -0.542 1
1 6 . 15 1 1 A 10 10 GLU CA C 10 56.615 57.531 -0.916 1
1 7 . 15 1 1 A 10 10 GLU HA H 10 4.230 3.830 0.400 1
1 8 . 15 1 1 A 10 10 GLU CB C 10 30.561 27.598 2.963 1
1 14 . 15 1 1 A 11 11 LYS N N 11 122.715 118.250 4.465 1
1 15 . 15 1 1 A 11 11 LYS H H 11 8.255 7.786 0.469 1
1 16 . 15 1 1 A 11 11 LYS CA C 11 53.967 53.161 0.806 1
1 17 . 15 1 1 A 11 11 LYS HA H 11 4.542 4.811 -0.269 1
1 18 . 15 1 1 A 11 11 LYS CB C 11 32.542 33.640 -1.098 1
1 30 . 15 1 1 A 12 12 PRO CA C 12 63.013 64.854 -1.841 1
1 31 . 15 1 1 A 12 12 PRO HA H 12 4.338 4.290 0.048 1
1 32 . 15 1 1 A 12 12 PRO CB C 12 32.326 31.883 0.443 1
1 41 . 15 1 1 A 12 12 PRO C C 12 176.009 175.928 0.081 1
1 42 . 15 1 1 A 13 13 TYR N N 13 119.228 117.368 1.860 1
1 43 . 15 1 1 A 13 13 TYR H H 13 8.222 7.842 0.380 1
1 44 . 15 1 1 A 13 13 TYR CA C 13 57.803 57.035 0.768 1
1 45 . 15 1 1 A 13 13 TYR HA H 13 4.593 5.443 -0.850 1
1 46 . 15 1 1 A 13 13 TYR CB C 13 38.831 41.461 -2.630 1
1 57 . 15 1 1 A 13 13 TYR C C 13 174.614 175.014 -0.400 1
1 58 . 15 1 1 A 14 14 ILE N N 14 124.244 123.641 0.603 1
1 59 . 15 1 1 A 14 14 ILE H H 14 8.484 8.986 -0.502 1
1 60 . 15 1 1 A 14 14 ILE CA C 14 59.739 60.104 -0.365 1
1 61 . 15 1 1 A 14 14 ILE HA H 14 4.668 5.002 -0.334 1
1 62 . 15 1 1 A 14 14 ILE CB C 14 40.799 42.013 -1.214 1
1 75 . 15 1 1 A 14 14 ILE C C 14 175.726 174.758 0.968 1
1 76 . 15 1 1 A 15 15 CYS N N 15 128.675 127.140 1.535 1
1 77 . 15 1 1 A 15 15 CYS H H 15 9.226 9.426 -0.200 1
1 78 . 15 1 1 A 15 15 CYS CA C 15 59.812 59.701 0.111 1
1 79 . 15 1 1 A 15 15 CYS HA H 15 4.528 4.663 -0.135 1
1 80 . 15 1 1 A 15 15 CYS CB C 15 29.505 28.769 0.736 1
1 83 . 15 1 1 A 15 15 CYS C C 15 176.706 175.203 1.503 1
1 84 . 15 1 1 A 16 16 ASN CA C 16 55.739 53.653 2.086 1
1 85 . 15 1 1 A 16 16 ASN HA H 16 4.510 4.933 -0.423 1
1 86 . 15 1 1 A 16 16 ASN CB C 16 38.232 39.462 -1.230 1
1 92 . 15 1 1 A 16 16 ASN C C 16 175.263 175.998 -0.735 1
1 93 . 15 1 1 A 17 17 GLU N N 17 120.356 118.667 1.689 1
1 94 . 15 1 1 A 17 17 GLU H H 17 8.711 7.533 1.178 1
1 95 . 15 1 1 A 17 17 GLU CA C 17 58.912 58.675 0.237 1
1 96 . 15 1 1 A 17 17 GLU HA H 17 4.219 4.124 0.095 1
1 97 . 15 1 1 A 17 17 GLU CB C 17 29.263 29.993 -0.730 1
1 103 . 15 1 1 A 17 17 GLU C C 17 177.266 177.742 -0.476 1
1 104 . 15 1 1 A 18 18 CYS N N 18 114.672 115.181 -0.509 1
1 105 . 15 1 1 A 18 18 CYS H H 18 7.905 8.063 -0.158 1
1 106 . 15 1 1 A 18 18 CYS CA C 18 58.496 59.422 -0.926 1
1 107 . 15 1 1 A 18 18 CYS HA H 18 5.190 4.651 0.539 1
1 108 . 15 1 1 A 18 18 CYS CB C 18 32.571 30.119 2.452 1
1 111 . 15 1 1 A 18 18 CYS C C 18 176.232 175.487 0.745 1
1 112 . 15 1 1 A 19 19 GLY N N 19 113.745 110.321 3.424 1
1 113 . 15 1 1 A 19 19 GLY H H 19 8.367 8.277 0.090 1
1 114 . 15 1 1 A 19 19 GLY CA C 19 46.162 45.228 0.934 1
1 115 . 15 1 1 A 19 19 GLY HA2 H 19 3.760 4.048 -0.288 1
1 116 . 15 1 1 A 19 19 GLY HA3 H 19 4.235 4.062 0.173 1
1 117 . 15 1 1 A 19 19 GLY C C 19 173.727 174.559 -0.832 1
1 118 . 15 1 1 A 20 20 LYS N N 20 122.843 122.385 0.458 1
1 119 . 15 1 1 A 20 20 LYS H H 20 7.974 7.503 0.471 1
1 120 . 15 1 1 A 20 20 LYS CA C 20 58.181 55.892 2.289 1
1 121 . 15 1 1 A 20 20 LYS HA H 20 4.028 4.248 -0.220 1
1 122 . 15 1 1 A 20 20 LYS CB C 20 33.694 33.603 0.091 1
1 134 . 15 1 1 A 20 20 LYS C C 20 173.876 175.389 -1.513 1
1 135 . 15 1 1 A 21 21 SER N N 21 115.076 115.457 -0.381 1
1 136 . 15 1 1 A 21 21 SER H H 21 7.770 8.364 -0.594 1
1 137 . 15 1 1 A 21 21 SER CA C 21 56.403 56.252 0.151 1
1 138 . 15 1 1 A 21 21 SER HA H 21 5.275 5.416 -0.141 1
1 139 . 15 1 1 A 21 21 SER CB C 21 66.263 65.595 0.668 1
1 142 . 15 1 1 A 21 21 SER C C 21 173.404 172.753 0.651 1
1 143 . 15 1 1 A 22 22 PHE N N 22 118.840 119.755 -0.915 1
1 144 . 15 1 1 A 22 22 PHE H H 22 8.924 9.189 -0.265 1
1 145 . 15 1 1 A 22 22 PHE CA C 22 57.316 56.687 0.629 1
1 146 . 15 1 1 A 22 22 PHE HA H 22 4.808 4.993 -0.185 1
1 147 . 15 1 1 A 22 22 PHE CB C 22 43.905 43.414 0.491 1
1 160 . 15 1 1 A 22 22 PHE C C 22 175.257 175.332 -0.075 1
1 161 . 15 1 1 A 23 23 ILE N N 23 119.405 117.604 1.801 1
1 162 . 15 1 1 A 23 23 ILE H H 23 9.109 8.587 0.522 1
1 163 . 15 1 1 A 23 23 ILE CA C 23 62.857 61.142 1.715 1
1 164 . 15 1 1 A 23 23 ILE HA H 23 4.343 4.648 -0.305 1
1 165 . 15 1 1 A 23 23 ILE CB C 23 38.939 40.000 -1.061 1
1 178 . 15 1 1 A 23 23 ILE C C 23 176.088 175.238 0.850 1
1 179 . 15 1 1 A 24 24 GLN N N 24 114.920 122.143 -7.223 1
1 180 . 15 1 1 A 24 24 GLN H H 24 7.421 7.741 -0.320 1
1 181 . 15 1 1 A 24 24 GLN CA C 24 53.880 54.670 -0.790 1
1 182 . 15 1 1 A 24 24 GLN HA H 24 4.767 4.416 0.351 1
1 183 . 15 1 1 A 24 24 GLN CB C 24 31.063 30.685 0.378 1
1 192 . 15 1 1 A 24 24 GLN C C 24 176.179 175.995 0.184 1
1 193 . 15 1 1 A 25 25 LYS N N 25 127.347 125.060 2.287 1
1 194 . 15 1 1 A 25 25 LYS H H 25 8.616 8.697 -0.081 1
1 195 . 15 1 1 A 25 25 LYS CA C 25 59.440 59.488 -0.048 1
1 196 . 15 1 1 A 25 25 LYS HA H 25 2.991 3.281 -0.290 1
1 197 . 15 1 1 A 25 25 LYS CB C 25 31.645 32.346 -0.701 1
1 209 . 15 1 1 A 25 25 LYS C C 25 178.388 178.370 0.018 1
1 210 . 15 1 1 A 26 26 SER CA C 26 60.966 62.394 -1.428 1
1 211 . 15 1 1 A 26 26 SER HA H 26 4.070 4.155 -0.085 1
1 212 . 15 1 1 A 26 26 SER CB C 26 61.804 63.103 -1.299 1
1 215 . 15 1 1 A 26 26 SER C C 26 177.389 176.736 0.653 1
1 216 . 15 1 1 A 27 27 HIS N N 27 121.710 119.477 2.233 1
1 217 . 15 1 1 A 27 27 HIS H H 27 6.907 8.047 -1.140 1
1 218 . 15 1 1 A 27 27 HIS CA C 27 57.311 58.899 -1.588 1
1 219 . 15 1 1 A 27 27 HIS HA H 27 4.396 4.246 0.150 1
1 220 . 15 1 1 A 27 27 HIS CB C 27 31.623 29.687 1.936 1
1 227 . 15 1 1 A 27 27 HIS C C 27 178.263 177.408 0.855 1
1 228 . 15 1 1 A 28 28 LEU N N 28 122.374 120.602 1.772 1
1 229 . 15 1 1 A 28 28 LEU H H 28 7.041 7.563 -0.522 1
1 230 . 15 1 1 A 28 28 LEU CA C 28 57.786 57.575 0.211 1
1 231 . 15 1 1 A 28 28 LEU HA H 28 3.137 3.135 0.002 1
1 232 . 15 1 1 A 28 28 LEU CB C 28 40.116 41.748 -1.632 1
1 245 . 15 1 1 A 28 28 LEU C C 28 177.533 177.979 -0.446 1
1 246 . 15 1 1 A 29 29 ASN N N 29 117.551 117.029 0.522 1
1 247 . 15 1 1 A 29 29 ASN H H 29 8.313 8.384 -0.071 1
1 248 . 15 1 1 A 29 29 ASN CA C 29 56.172 56.602 -0.430 1
1 249 . 15 1 1 A 29 29 ASN HA H 29 4.289 4.370 -0.081 1
1 250 . 15 1 1 A 29 29 ASN CB C 29 37.474 39.571 -2.097 1
1 256 . 15 1 1 A 29 29 ASN C C 29 177.889 178.148 -0.259 1
1 257 . 15 1 1 A 30 30 ARG N N 30 119.042 120.121 -1.079 1
1 258 . 15 1 1 A 30 30 ARG H H 30 7.644 8.343 -0.699 1
1 259 . 15 1 1 A 30 30 ARG CA C 30 59.123 58.829 0.294 1
1 260 . 15 1 1 A 30 30 ARG HA H 30 4.021 4.025 -0.004 1
1 261 . 15 1 1 A 30 30 ARG CB C 30 30.220 29.793 0.427 1
1 270 . 15 1 1 A 30 30 ARG C C 30 178.562 178.576 -0.014 1
1 271 . 15 1 1 A 31 31 HIS N N 31 119.736 119.208 0.528 1
1 272 . 15 1 1 A 31 31 HIS H H 31 7.693 8.325 -0.632 1
1 273 . 15 1 1 A 31 31 HIS CA C 31 59.093 59.176 -0.083 1
1 274 . 15 1 1 A 31 31 HIS HA H 31 4.219 4.133 0.086 1
1 275 . 15 1 1 A 31 31 HIS CB C 31 28.571 29.713 -1.142 1
1 282 . 15 1 1 A 31 31 HIS C C 31 176.193 177.408 -1.215 1
1 283 . 15 1 1 A 32 32 ARG N N 32 115.270 117.987 -2.717 1
1 284 . 15 1 1 A 32 32 ARG H H 32 8.284 8.487 -0.203 1
1 285 . 15 1 1 A 32 32 ARG CA C 32 59.938 59.245 0.693 1
1 286 . 15 1 1 A 32 32 ARG HA H 32 3.690 3.935 -0.245 1
1 287 . 15 1 1 A 32 32 ARG CB C 32 29.938 29.699 0.239 1
1 296 . 15 1 1 A 32 32 ARG C C 32 177.517 179.198 -1.681 1
1 297 . 15 1 1 A 33 33 ARG N N 33 117.230 119.459 -2.229 1
1 298 . 15 1 1 A 33 33 ARG H H 33 7.078 7.828 -0.750 1
1 299 . 15 1 1 A 33 33 ARG CA C 33 58.344 59.071 -0.727 1
1 300 . 15 1 1 A 33 33 ARG HA H 33 4.161 4.153 0.008 1
1 301 . 15 1 1 A 33 33 ARG CB C 33 29.905 30.215 -0.310 1
1 310 . 15 1 1 A 33 33 ARG C C 33 178.467 178.855 -0.388 1
1 311 . 15 1 1 A 34 34 ILE N N 34 116.308 118.310 -2.002 1
1 312 . 15 1 1 A 34 34 ILE H H 34 7.826 7.510 0.316 1
1 313 . 15 1 1 A 34 34 ILE CA C 34 63.103 64.047 -0.944 1
1 314 . 15 1 1 A 34 34 ILE HA H 34 3.988 3.742 0.246 1
1 315 . 15 1 1 A 34 34 ILE CB C 34 37.701 37.185 0.516 1
1 328 . 15 1 1 A 34 34 ILE C C 34 177.295 177.337 -0.042 1
1 329 . 15 1 1 A 35 35 HIS N N 35 117.638 119.770 -2.132 1
1 330 . 15 1 1 A 35 35 HIS H H 35 7.284 6.847 0.437 1
1 331 . 15 1 1 A 35 35 HIS CA C 35 55.201 58.595 -3.394 1
1 332 . 15 1 1 A 35 35 HIS HA H 35 4.868 4.441 0.427 1
1 333 . 15 1 1 A 35 35 HIS CB C 35 28.625 30.480 -1.855 1
1 340 . 15 1 1 A 35 35 HIS C C 35 175.837 175.405 0.432 1
1 341 . 15 1 1 A 36 36 THR N N 36 111.405 107.762 3.643 1
1 342 . 15 1 1 A 36 36 THR H H 36 7.803 7.479 0.324 1
1 343 . 15 1 1 A 36 36 THR CA C 36 62.492 63.659 -1.167 1
1 344 . 15 1 1 A 36 36 THR HA H 36 4.364 4.128 0.236 1
1 345 . 15 1 1 A 36 36 THR CB C 36 69.845 68.357 1.488 1
1 351 . 15 1 1 A 36 36 THR C C 36 175.507 175.266 0.241 1
1 352 . 15 1 1 A 37 37 GLY N N 37 110.690 114.665 -3.975 1
1 353 . 15 1 1 A 37 37 GLY H H 37 8.232 9.046 -0.814 1
1 354 . 15 1 1 A 37 37 GLY CA C 37 45.429 46.343 -0.914 1
1 355 . 15 1 1 A 37 37 GLY HA2 H 37 3.946 4.019 -0.073 1
1 356 . 15 1 1 A 37 37 GLY HA3 H 37 4.046 4.026 0.020 1
1 357 . 15 1 1 A 37 37 GLY C C 37 174.088 175.332 -1.244 1
1 358 . 15 1 1 A 38 38 GLU N N 38 120.568 118.525 2.043 1
1 359 . 15 1 1 A 38 38 GLU H H 38 8.064 8.409 -0.345 1
1 360 . 15 1 1 A 38 38 GLU CA C 38 56.499 55.663 0.836 1
1 361 . 15 1 1 A 38 38 GLU HA H 38 4.241 4.500 -0.259 1
1 362 . 15 1 1 A 38 38 GLU CB C 38 30.568 29.245 1.323 1
1 368 . 15 1 1 A 38 38 GLU C C 38 176.155 175.617 0.538 1
1 369 . 15 1 1 A 39 39 LYS N N 39 123.848 117.118 6.730 1
1 370 . 15 1 1 A 39 39 LYS H H 39 8.425 7.546 0.879 1
1 371 . 15 1 1 A 39 39 LYS CA C 39 54.028 54.323 -0.295 1
1 372 . 15 1 1 A 39 39 LYS HA H 39 4.608 4.867 -0.259 1
1 373 . 15 1 1 A 39 39 LYS CB C 39 32.467 35.925 -3.458 1
1 385 . 15 1 1 A 39 39 LYS C C 39 174.487 173.419 1.068 1
1 386 . 15 1 1 A 40 40 PRO CA C 40 63.260 62.830 0.430 1
1 387 . 15 1 1 A 40 40 PRO HA H 40 4.467 4.783 -0.316 1
1 388 . 15 1 1 A 40 40 PRO CB C 40 32.180 31.624 0.556 1
1 397 . 15 1 1 A 42 42 GLY CA C 42 44.682 46.173 -1.491 1
1 398 . 15 1 1 A 42 42 GLY HA2 H 42 4.145 4.520 -0.375 1
1 399 . 15 1 1 A 42 42 GLY HA3 H 42 4.145 4.520 -0.375 1
1 400 . 15 1 1 A 43 43 PRO CA C 43 63.122 62.863 0.259 1
1 401 . 15 1 1 A 43 43 PRO HA H 43 4.464 4.633 -0.169 1
1 402 . 15 1 1 A 43 43 PRO CB C 43 32.215 32.518 -0.303 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.332 46.138 -0.806 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 3.946 3.978 -0.032 1
1 3 . 16 1 1 A 9 9 GLY HA3 H 9 3.973 3.978 -0.005 1
1 4 . 16 1 1 A 10 10 GLU N N 10 120.577 122.253 -1.676 1
1 5 . 16 1 1 A 10 10 GLU H H 10 8.220 8.409 -0.189 1
1 6 . 16 1 1 A 10 10 GLU CA C 10 56.615 55.606 1.009 1
1 7 . 16 1 1 A 10 10 GLU HA H 10 4.230 4.581 -0.351 1
1 8 . 16 1 1 A 10 10 GLU CB C 10 30.561 30.931 -0.370 1
1 14 . 16 1 1 A 11 11 LYS N N 11 122.715 123.545 -0.830 1
1 15 . 16 1 1 A 11 11 LYS H H 11 8.255 8.824 -0.569 1
1 16 . 16 1 1 A 11 11 LYS CA C 11 53.967 53.479 0.488 1
1 17 . 16 1 1 A 11 11 LYS HA H 11 4.542 4.666 -0.124 1
1 18 . 16 1 1 A 11 11 LYS CB C 11 32.542 32.746 -0.204 1
1 30 . 16 1 1 A 12 12 PRO CA C 12 63.013 64.716 -1.703 1
1 31 . 16 1 1 A 12 12 PRO HA H 12 4.338 4.274 0.064 1
1 32 . 16 1 1 A 12 12 PRO CB C 12 32.326 31.961 0.365 1
1 41 . 16 1 1 A 12 12 PRO C C 12 176.009 175.887 0.122 1
1 42 . 16 1 1 A 13 13 TYR N N 13 119.228 117.636 1.592 1
1 43 . 16 1 1 A 13 13 TYR H H 13 8.222 7.666 0.556 1
1 44 . 16 1 1 A 13 13 TYR CA C 13 57.803 56.775 1.028 1
1 45 . 16 1 1 A 13 13 TYR HA H 13 4.593 5.367 -0.774 1
1 46 . 16 1 1 A 13 13 TYR CB C 13 38.831 41.811 -2.980 1
1 57 . 16 1 1 A 13 13 TYR C C 13 174.614 174.970 -0.356 1
1 58 . 16 1 1 A 14 14 ILE N N 14 124.244 122.705 1.539 1
1 59 . 16 1 1 A 14 14 ILE H H 14 8.484 8.748 -0.264 1
1 60 . 16 1 1 A 14 14 ILE CA C 14 59.739 60.868 -1.129 1
1 61 . 16 1 1 A 14 14 ILE HA H 14 4.668 5.019 -0.351 1
1 62 . 16 1 1 A 14 14 ILE CB C 14 40.799 41.250 -0.451 1
1 75 . 16 1 1 A 14 14 ILE C C 14 175.726 175.314 0.412 1
1 76 . 16 1 1 A 15 15 CYS N N 15 128.675 127.009 1.666 1
1 77 . 16 1 1 A 15 15 CYS H H 15 9.226 9.046 0.180 1
1 78 . 16 1 1 A 15 15 CYS CA C 15 59.812 60.157 -0.345 1
1 79 . 16 1 1 A 15 15 CYS HA H 15 4.528 4.561 -0.033 1
1 80 . 16 1 1 A 15 15 CYS CB C 15 29.505 28.717 0.788 1
1 83 . 16 1 1 A 15 15 CYS C C 15 176.706 175.998 0.708 1
1 84 . 16 1 1 A 16 16 ASN CA C 16 55.739 56.544 -0.805 1
1 85 . 16 1 1 A 16 16 ASN HA H 16 4.510 4.429 0.081 1
1 86 . 16 1 1 A 16 16 ASN CB C 16 38.232 38.391 -0.159 1
1 92 . 16 1 1 A 16 16 ASN C C 16 175.263 177.393 -2.130 1
1 93 . 16 1 1 A 17 17 GLU N N 17 120.356 118.590 1.766 1
1 94 . 16 1 1 A 17 17 GLU H H 17 8.711 8.623 0.088 1
1 95 . 16 1 1 A 17 17 GLU CA C 17 58.912 58.880 0.032 1
1 96 . 16 1 1 A 17 17 GLU HA H 17 4.219 4.030 0.189 1
1 97 . 16 1 1 A 17 17 GLU CB C 17 29.263 29.195 0.068 1
1 103 . 16 1 1 A 17 17 GLU C C 17 177.266 178.290 -1.024 1
1 104 . 16 1 1 A 18 18 CYS N N 18 114.672 115.107 -0.435 1
1 105 . 16 1 1 A 18 18 CYS H H 18 7.905 7.850 0.055 1
1 106 . 16 1 1 A 18 18 CYS CA C 18 58.496 59.691 -1.195 1
1 107 . 16 1 1 A 18 18 CYS HA H 18 5.190 4.534 0.656 1
1 108 . 16 1 1 A 18 18 CYS CB C 18 32.571 29.479 3.092 1
1 111 . 16 1 1 A 18 18 CYS C C 18 176.232 175.254 0.978 1
1 112 . 16 1 1 A 19 19 GLY N N 19 113.745 110.297 3.448 1
1 113 . 16 1 1 A 19 19 GLY H H 19 8.367 8.081 0.286 1
1 114 . 16 1 1 A 19 19 GLY CA C 19 46.162 45.165 0.997 1
1 115 . 16 1 1 A 19 19 GLY HA2 H 19 3.760 4.067 -0.307 1
1 116 . 16 1 1 A 19 19 GLY HA3 H 19 4.235 4.075 0.160 1
1 117 . 16 1 1 A 19 19 GLY C C 19 173.727 174.357 -0.630 1
1 118 . 16 1 1 A 20 20 LYS N N 20 122.843 122.320 0.523 1
1 119 . 16 1 1 A 20 20 LYS H H 20 7.974 7.448 0.526 1
1 120 . 16 1 1 A 20 20 LYS CA C 20 58.181 55.637 2.544 1
1 121 . 16 1 1 A 20 20 LYS HA H 20 4.028 4.491 -0.463 1
1 122 . 16 1 1 A 20 20 LYS CB C 20 33.694 33.658 0.036 1
1 134 . 16 1 1 A 20 20 LYS C C 20 173.876 175.418 -1.542 1
1 135 . 16 1 1 A 21 21 SER N N 21 115.076 119.710 -4.634 1
1 136 . 16 1 1 A 21 21 SER H H 21 7.770 8.358 -0.588 1
1 137 . 16 1 1 A 21 21 SER CA C 21 56.403 56.910 -0.507 1
1 138 . 16 1 1 A 21 21 SER HA H 21 5.275 5.291 -0.016 1
1 139 . 16 1 1 A 21 21 SER CB C 21 66.263 64.926 1.337 1
1 142 . 16 1 1 A 21 21 SER C C 21 173.404 172.780 0.624 1
1 143 . 16 1 1 A 22 22 PHE N N 22 118.840 122.617 -3.777 1
1 144 . 16 1 1 A 22 22 PHE H H 22 8.924 9.082 -0.158 1
1 145 . 16 1 1 A 22 22 PHE CA C 22 57.316 56.820 0.496 1
1 146 . 16 1 1 A 22 22 PHE HA H 22 4.808 5.019 -0.211 1
1 147 . 16 1 1 A 22 22 PHE CB C 22 43.905 43.381 0.524 1
1 160 . 16 1 1 A 22 22 PHE C C 22 175.257 174.990 0.267 1
1 161 . 16 1 1 A 23 23 ILE N N 23 119.405 116.941 2.464 1
1 162 . 16 1 1 A 23 23 ILE H H 23 9.109 8.602 0.507 1
1 163 . 16 1 1 A 23 23 ILE CA C 23 62.857 61.477 1.380 1
1 164 . 16 1 1 A 23 23 ILE HA H 23 4.343 4.656 -0.313 1
1 165 . 16 1 1 A 23 23 ILE CB C 23 38.939 39.832 -0.893 1
1 178 . 16 1 1 A 23 23 ILE C C 23 176.088 175.864 0.224 1
1 179 . 16 1 1 A 24 24 GLN N N 24 114.920 122.193 -7.273 1
1 180 . 16 1 1 A 24 24 GLN H H 24 7.421 7.364 0.057 1
1 181 . 16 1 1 A 24 24 GLN CA C 24 53.880 54.918 -1.038 1
1 182 . 16 1 1 A 24 24 GLN HA H 24 4.767 4.347 0.420 1
1 183 . 16 1 1 A 24 24 GLN CB C 24 31.063 29.399 1.664 1
1 192 . 16 1 1 A 24 24 GLN C C 24 176.179 176.214 -0.035 1
1 193 . 16 1 1 A 25 25 LYS N N 25 127.347 124.152 3.195 1
1 194 . 16 1 1 A 25 25 LYS H H 25 8.616 8.145 0.471 1
1 195 . 16 1 1 A 25 25 LYS CA C 25 59.440 58.132 1.308 1
1 196 . 16 1 1 A 25 25 LYS HA H 25 2.991 3.056 -0.065 1
1 197 . 16 1 1 A 25 25 LYS CB C 25 31.645 31.716 -0.071 1
1 209 . 16 1 1 A 25 25 LYS C C 25 178.388 177.975 0.413 1
1 210 . 16 1 1 A 26 26 SER CA C 26 60.966 62.177 -1.211 1
1 211 . 16 1 1 A 26 26 SER HA H 26 4.070 4.066 0.004 1
1 212 . 16 1 1 A 26 26 SER CB C 26 61.804 63.267 -1.463 1
1 215 . 16 1 1 A 26 26 SER C C 26 177.389 175.979 1.410 1
1 216 . 16 1 1 A 27 27 HIS N N 27 121.710 119.592 2.118 1
1 217 . 16 1 1 A 27 27 HIS H H 27 6.907 7.757 -0.850 1
1 218 . 16 1 1 A 27 27 HIS CA C 27 57.311 58.615 -1.304 1
1 219 . 16 1 1 A 27 27 HIS HA H 27 4.396 4.186 0.210 1
1 220 . 16 1 1 A 27 27 HIS CB C 27 31.623 29.671 1.952 1
1 227 . 16 1 1 A 27 27 HIS C C 27 178.263 177.087 1.176 1
1 228 . 16 1 1 A 28 28 LEU N N 28 122.374 120.553 1.821 1
1 229 . 16 1 1 A 28 28 LEU H H 28 7.041 7.521 -0.480 1
1 230 . 16 1 1 A 28 28 LEU CA C 28 57.786 57.562 0.224 1
1 231 . 16 1 1 A 28 28 LEU HA H 28 3.137 2.945 0.192 1
1 232 . 16 1 1 A 28 28 LEU CB C 28 40.116 41.682 -1.566 1
1 245 . 16 1 1 A 28 28 LEU C C 28 177.533 177.868 -0.335 1
1 246 . 16 1 1 A 29 29 ASN N N 29 117.551 116.887 0.664 1
1 247 . 16 1 1 A 29 29 ASN H H 29 8.313 7.813 0.500 1
1 248 . 16 1 1 A 29 29 ASN CA C 29 56.172 56.627 -0.455 1
1 249 . 16 1 1 A 29 29 ASN HA H 29 4.289 4.373 -0.084 1
1 250 . 16 1 1 A 29 29 ASN CB C 29 37.474 38.839 -1.365 1
1 256 . 16 1 1 A 29 29 ASN C C 29 177.889 177.423 0.466 1
1 257 . 16 1 1 A 30 30 ARG N N 30 119.042 119.261 -0.219 1
1 258 . 16 1 1 A 30 30 ARG H H 30 7.644 7.778 -0.134 1
1 259 . 16 1 1 A 30 30 ARG CA C 30 59.123 59.145 -0.022 1
1 260 . 16 1 1 A 30 30 ARG HA H 30 4.021 3.985 0.036 1
1 261 . 16 1 1 A 30 30 ARG CB C 30 30.220 30.504 -0.284 1
1 270 . 16 1 1 A 30 30 ARG C C 30 178.562 178.523 0.039 1
1 271 . 16 1 1 A 31 31 HIS N N 31 119.736 119.363 0.373 1
1 272 . 16 1 1 A 31 31 HIS H H 31 7.693 7.933 -0.240 1
1 273 . 16 1 1 A 31 31 HIS CA C 31 59.093 59.774 -0.681 1
1 274 . 16 1 1 A 31 31 HIS HA H 31 4.219 4.015 0.204 1
1 275 . 16 1 1 A 31 31 HIS CB C 31 28.571 29.436 -0.865 1
1 282 . 16 1 1 A 31 31 HIS C C 31 176.193 176.314 -0.121 1
1 283 . 16 1 1 A 32 32 ARG N N 32 115.270 117.353 -2.083 1
1 284 . 16 1 1 A 32 32 ARG H H 32 8.284 8.501 -0.217 1
1 285 . 16 1 1 A 32 32 ARG CA C 32 59.938 59.416 0.522 1
1 286 . 16 1 1 A 32 32 ARG HA H 32 3.690 3.920 -0.230 1
1 287 . 16 1 1 A 32 32 ARG CB C 32 29.938 30.053 -0.115 1
1 296 . 16 1 1 A 32 32 ARG C C 32 177.517 178.565 -1.048 1
1 297 . 16 1 1 A 33 33 ARG N N 33 117.230 117.433 -0.203 1
1 298 . 16 1 1 A 33 33 ARG H H 33 7.078 8.430 -1.352 1
1 299 . 16 1 1 A 33 33 ARG CA C 33 58.344 58.653 -0.309 1
1 300 . 16 1 1 A 33 33 ARG HA H 33 4.161 4.044 0.117 1
1 301 . 16 1 1 A 33 33 ARG CB C 33 29.905 29.991 -0.086 1
1 310 . 16 1 1 A 33 33 ARG C C 33 178.467 177.671 0.796 1
1 311 . 16 1 1 A 34 34 ILE N N 34 116.308 116.023 0.285 1
1 312 . 16 1 1 A 34 34 ILE H H 34 7.826 7.929 -0.103 1
1 313 . 16 1 1 A 34 34 ILE CA C 34 63.103 64.267 -1.164 1
1 314 . 16 1 1 A 34 34 ILE HA H 34 3.988 3.697 0.291 1
1 315 . 16 1 1 A 34 34 ILE CB C 34 37.701 37.171 0.530 1
1 328 . 16 1 1 A 34 34 ILE C C 34 177.295 177.506 -0.211 1
1 329 . 16 1 1 A 35 35 HIS N N 35 117.638 119.665 -2.027 1
1 330 . 16 1 1 A 35 35 HIS H H 35 7.284 7.266 0.018 1
1 331 . 16 1 1 A 35 35 HIS CA C 35 55.201 58.834 -3.633 1
1 332 . 16 1 1 A 35 35 HIS HA H 35 4.868 4.416 0.452 1
1 333 . 16 1 1 A 35 35 HIS CB C 35 28.625 30.617 -1.992 1
1 340 . 16 1 1 A 35 35 HIS C C 35 175.837 176.257 -0.420 1
1 341 . 16 1 1 A 36 36 THR N N 36 111.405 111.829 -0.424 1
1 342 . 16 1 1 A 36 36 THR H H 36 7.803 7.570 0.233 1
1 343 . 16 1 1 A 36 36 THR CA C 36 62.492 61.193 1.299 1
1 344 . 16 1 1 A 36 36 THR HA H 36 4.364 4.490 -0.126 1
1 345 . 16 1 1 A 36 36 THR CB C 36 69.845 69.313 0.532 1
1 351 . 16 1 1 A 36 36 THR C C 36 175.507 174.169 1.338 1
1 352 . 16 1 1 A 37 37 GLY N N 37 110.690 115.218 -4.528 1
1 353 . 16 1 1 A 37 37 GLY H H 37 8.232 8.383 -0.151 1
1 354 . 16 1 1 A 37 37 GLY CA C 37 45.429 44.498 0.931 1
1 355 . 16 1 1 A 37 37 GLY HA2 H 37 3.946 4.038 -0.092 1
1 356 . 16 1 1 A 37 37 GLY HA3 H 37 4.046 4.045 0.001 1
1 357 . 16 1 1 A 37 37 GLY C C 37 174.088 172.864 1.224 1
1 358 . 16 1 1 A 38 38 GLU N N 38 120.568 123.678 -3.110 1
1 359 . 16 1 1 A 38 38 GLU H H 38 8.064 8.530 -0.466 1
1 360 . 16 1 1 A 38 38 GLU CA C 38 56.499 55.178 1.321 1
1 361 . 16 1 1 A 38 38 GLU HA H 38 4.241 4.572 -0.331 1
1 362 . 16 1 1 A 38 38 GLU CB C 38 30.568 30.418 0.150 1
1 368 . 16 1 1 A 38 38 GLU C C 38 176.155 174.966 1.189 1
1 369 . 16 1 1 A 39 39 LYS N N 39 123.848 124.562 -0.714 1
1 370 . 16 1 1 A 39 39 LYS H H 39 8.425 7.590 0.835 1
1 371 . 16 1 1 A 39 39 LYS CA C 39 54.028 54.384 -0.356 1
1 372 . 16 1 1 A 39 39 LYS HA H 39 4.608 4.430 0.178 1
1 373 . 16 1 1 A 39 39 LYS CB C 39 32.467 33.703 -1.236 1
1 385 . 16 1 1 A 39 39 LYS C C 39 174.487 176.321 -1.834 1
1 386 . 16 1 1 A 40 40 PRO CA C 40 63.260 64.282 -1.022 1
1 387 . 16 1 1 A 40 40 PRO HA H 40 4.467 4.472 -0.005 1
1 388 . 16 1 1 A 40 40 PRO CB C 40 32.180 31.965 0.215 1
1 397 . 16 1 1 A 42 42 GLY CA C 42 44.682 44.710 -0.028 1
1 398 . 16 1 1 A 42 42 GLY HA2 H 42 4.145 4.107 0.038 1
1 399 . 16 1 1 A 42 42 GLY HA3 H 42 4.145 4.107 0.038 1
1 400 . 16 1 1 A 43 43 PRO CA C 43 63.122 63.517 -0.395 1
1 401 . 16 1 1 A 43 43 PRO HA H 43 4.464 4.565 -0.101 1
1 402 . 16 1 1 A 43 43 PRO CB C 43 32.215 32.019 0.196 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.332 44.831 0.501 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 3.946 4.042 -0.096 1
1 3 . 17 1 1 A 9 9 GLY HA3 H 9 3.973 4.042 -0.069 1
1 4 . 17 1 1 A 10 10 GLU N N 10 120.577 118.789 1.788 1
1 5 . 17 1 1 A 10 10 GLU H H 10 8.220 8.873 -0.653 1
1 6 . 17 1 1 A 10 10 GLU CA C 10 56.615 57.552 -0.937 1
1 7 . 17 1 1 A 10 10 GLU HA H 10 4.230 3.815 0.415 1
1 8 . 17 1 1 A 10 10 GLU CB C 10 30.561 27.750 2.811 1
1 14 . 17 1 1 A 11 11 LYS N N 11 122.715 118.226 4.489 1
1 15 . 17 1 1 A 11 11 LYS H H 11 8.255 7.663 0.592 1
1 16 . 17 1 1 A 11 11 LYS CA C 11 53.967 53.019 0.948 1
1 17 . 17 1 1 A 11 11 LYS HA H 11 4.542 4.755 -0.213 1
1 18 . 17 1 1 A 11 11 LYS CB C 11 32.542 34.490 -1.948 1
1 30 . 17 1 1 A 12 12 PRO CA C 12 63.013 64.832 -1.819 1
1 31 . 17 1 1 A 12 12 PRO HA H 12 4.338 4.271 0.067 1
1 32 . 17 1 1 A 12 12 PRO CB C 12 32.326 31.620 0.706 1
1 41 . 17 1 1 A 12 12 PRO C C 12 176.009 175.888 0.121 1
1 42 . 17 1 1 A 13 13 TYR N N 13 119.228 117.582 1.646 1
1 43 . 17 1 1 A 13 13 TYR H H 13 8.222 7.674 0.548 1
1 44 . 17 1 1 A 13 13 TYR CA C 13 57.803 56.876 0.927 1
1 45 . 17 1 1 A 13 13 TYR HA H 13 4.593 5.339 -0.746 1
1 46 . 17 1 1 A 13 13 TYR CB C 13 38.831 41.569 -2.738 1
1 57 . 17 1 1 A 13 13 TYR C C 13 174.614 175.177 -0.563 1
1 58 . 17 1 1 A 14 14 ILE N N 14 124.244 122.061 2.183 1
1 59 . 17 1 1 A 14 14 ILE H H 14 8.484 8.771 -0.287 1
1 60 . 17 1 1 A 14 14 ILE CA C 14 59.739 60.866 -1.127 1
1 61 . 17 1 1 A 14 14 ILE HA H 14 4.668 4.990 -0.322 1
1 62 . 17 1 1 A 14 14 ILE CB C 14 40.799 41.179 -0.380 1
1 75 . 17 1 1 A 14 14 ILE C C 14 175.726 175.087 0.639 1
1 76 . 17 1 1 A 15 15 CYS N N 15 128.675 127.241 1.434 1
1 77 . 17 1 1 A 15 15 CYS H H 15 9.226 9.002 0.224 1
1 78 . 17 1 1 A 15 15 CYS CA C 15 59.812 59.488 0.324 1
1 79 . 17 1 1 A 15 15 CYS HA H 15 4.528 4.610 -0.082 1
1 80 . 17 1 1 A 15 15 CYS CB C 15 29.505 29.186 0.319 1
1 83 . 17 1 1 A 15 15 CYS C C 15 176.706 174.613 2.093 1
1 84 . 17 1 1 A 16 16 ASN CA C 16 55.739 54.314 1.425 1
1 85 . 17 1 1 A 16 16 ASN HA H 16 4.510 4.903 -0.393 1
1 86 . 17 1 1 A 16 16 ASN CB C 16 38.232 40.739 -2.507 1
1 92 . 17 1 1 A 16 16 ASN C C 16 175.263 177.369 -2.106 1
1 93 . 17 1 1 A 17 17 GLU N N 17 120.356 118.734 1.622 1
1 94 . 17 1 1 A 17 17 GLU H H 17 8.711 8.300 0.411 1
1 95 . 17 1 1 A 17 17 GLU CA C 17 58.912 58.755 0.157 1
1 96 . 17 1 1 A 17 17 GLU HA H 17 4.219 3.974 0.245 1
1 97 . 17 1 1 A 17 17 GLU CB C 17 29.263 29.259 0.004 1
1 103 . 17 1 1 A 17 17 GLU C C 17 177.266 178.053 -0.787 1
1 104 . 17 1 1 A 18 18 CYS N N 18 114.672 114.780 -0.108 1
1 105 . 17 1 1 A 18 18 CYS H H 18 7.905 7.760 0.145 1
1 106 . 17 1 1 A 18 18 CYS CA C 18 58.496 59.569 -1.073 1
1 107 . 17 1 1 A 18 18 CYS HA H 18 5.190 4.557 0.633 1
1 108 . 17 1 1 A 18 18 CYS CB C 18 32.571 29.591 2.980 1
1 111 . 17 1 1 A 18 18 CYS C C 18 176.232 175.557 0.675 1
1 112 . 17 1 1 A 19 19 GLY N N 19 113.745 110.305 3.440 1
1 113 . 17 1 1 A 19 19 GLY H H 19 8.367 8.247 0.120 1
1 114 . 17 1 1 A 19 19 GLY CA C 19 46.162 46.039 0.123 1
1 115 . 17 1 1 A 19 19 GLY HA2 H 19 3.760 3.998 -0.238 1
1 116 . 17 1 1 A 19 19 GLY HA3 H 19 4.235 4.021 0.214 1
1 117 . 17 1 1 A 19 19 GLY C C 19 173.727 174.397 -0.670 1
1 118 . 17 1 1 A 20 20 LYS N N 20 122.843 121.248 1.595 1
1 119 . 17 1 1 A 20 20 LYS H H 20 7.974 7.854 0.120 1
1 120 . 17 1 1 A 20 20 LYS CA C 20 58.181 55.107 3.074 1
1 121 . 17 1 1 A 20 20 LYS HA H 20 4.028 4.587 -0.559 1
1 122 . 17 1 1 A 20 20 LYS CB C 20 33.694 33.854 -0.160 1
1 134 . 17 1 1 A 20 20 LYS C C 20 173.876 175.705 -1.829 1
1 135 . 17 1 1 A 21 21 SER N N 21 115.076 116.355 -1.279 1
1 136 . 17 1 1 A 21 21 SER H H 21 7.770 8.346 -0.576 1
1 137 . 17 1 1 A 21 21 SER CA C 21 56.403 55.870 0.533 1
1 138 . 17 1 1 A 21 21 SER HA H 21 5.275 5.362 -0.087 1
1 139 . 17 1 1 A 21 21 SER CB C 21 66.263 65.905 0.358 1
1 142 . 17 1 1 A 21 21 SER C C 21 173.404 173.011 0.393 1
1 143 . 17 1 1 A 22 22 PHE N N 22 118.840 117.963 0.877 1
1 144 . 17 1 1 A 22 22 PHE H H 22 8.924 8.173 0.751 1
1 145 . 17 1 1 A 22 22 PHE CA C 22 57.316 56.590 0.726 1
1 146 . 17 1 1 A 22 22 PHE HA H 22 4.808 4.998 -0.190 1
1 147 . 17 1 1 A 22 22 PHE CB C 22 43.905 44.108 -0.203 1
1 160 . 17 1 1 A 22 22 PHE C C 22 175.257 175.266 -0.009 1
1 161 . 17 1 1 A 23 23 ILE N N 23 119.405 119.528 -0.123 1
1 162 . 17 1 1 A 23 23 ILE H H 23 9.109 8.447 0.662 1
1 163 . 17 1 1 A 23 23 ILE CA C 23 62.857 62.244 0.613 1
1 164 . 17 1 1 A 23 23 ILE HA H 23 4.343 4.395 -0.052 1
1 165 . 17 1 1 A 23 23 ILE CB C 23 38.939 39.614 -0.675 1
1 178 . 17 1 1 A 23 23 ILE C C 23 176.088 175.790 0.298 1
1 179 . 17 1 1 A 24 24 GLN N N 24 114.920 119.874 -4.954 1
1 180 . 17 1 1 A 24 24 GLN H H 24 7.421 7.626 -0.205 1
1 181 . 17 1 1 A 24 24 GLN CA C 24 53.880 54.487 -0.607 1
1 182 . 17 1 1 A 24 24 GLN HA H 24 4.767 4.643 0.124 1
1 183 . 17 1 1 A 24 24 GLN CB C 24 31.063 30.556 0.507 1
1 192 . 17 1 1 A 24 24 GLN C C 24 176.179 175.654 0.525 1
1 193 . 17 1 1 A 25 25 LYS N N 25 127.347 124.217 3.130 1
1 194 . 17 1 1 A 25 25 LYS H H 25 8.616 8.754 -0.138 1
1 195 . 17 1 1 A 25 25 LYS CA C 25 59.440 58.718 0.722 1
1 196 . 17 1 1 A 25 25 LYS HA H 25 2.991 2.934 0.057 1
1 197 . 17 1 1 A 25 25 LYS CB C 25 31.645 31.840 -0.195 1
1 209 . 17 1 1 A 25 25 LYS C C 25 178.388 177.531 0.857 1
1 210 . 17 1 1 A 26 26 SER CA C 26 60.966 61.092 -0.126 1
1 211 . 17 1 1 A 26 26 SER HA H 26 4.070 4.142 -0.072 1
1 212 . 17 1 1 A 26 26 SER CB C 26 61.804 62.833 -1.029 1
1 215 . 17 1 1 A 26 26 SER C C 26 177.389 177.226 0.163 1
1 216 . 17 1 1 A 27 27 HIS N N 27 121.710 119.573 2.137 1
1 217 . 17 1 1 A 27 27 HIS H H 27 6.907 7.954 -1.047 1
1 218 . 17 1 1 A 27 27 HIS CA C 27 57.311 58.809 -1.498 1
1 219 . 17 1 1 A 27 27 HIS HA H 27 4.396 4.200 0.196 1
1 220 . 17 1 1 A 27 27 HIS CB C 27 31.623 29.926 1.697 1
1 227 . 17 1 1 A 27 27 HIS C C 27 178.263 177.541 0.722 1
1 228 . 17 1 1 A 28 28 LEU N N 28 122.374 120.300 2.074 1
1 229 . 17 1 1 A 28 28 LEU H H 28 7.041 7.465 -0.424 1
1 230 . 17 1 1 A 28 28 LEU CA C 28 57.786 57.534 0.252 1
1 231 . 17 1 1 A 28 28 LEU HA H 28 3.137 2.859 0.278 1
1 232 . 17 1 1 A 28 28 LEU CB C 28 40.116 41.202 -1.086 1
1 245 . 17 1 1 A 28 28 LEU C C 28 177.533 178.454 -0.921 1
1 246 . 17 1 1 A 29 29 ASN N N 29 117.551 116.512 1.039 1
1 247 . 17 1 1 A 29 29 ASN H H 29 8.313 8.356 -0.043 1
1 248 . 17 1 1 A 29 29 ASN CA C 29 56.172 56.346 -0.174 1
1 249 . 17 1 1 A 29 29 ASN HA H 29 4.289 4.470 -0.181 1
1 250 . 17 1 1 A 29 29 ASN CB C 29 37.474 37.758 -0.284 1
1 256 . 17 1 1 A 29 29 ASN C C 29 177.889 177.295 0.594 1
1 257 . 17 1 1 A 30 30 ARG N N 30 119.042 119.940 -0.898 1
1 258 . 17 1 1 A 30 30 ARG H H 30 7.644 8.243 -0.599 1
1 259 . 17 1 1 A 30 30 ARG CA C 30 59.123 58.165 0.958 1
1 260 . 17 1 1 A 30 30 ARG HA H 30 4.021 4.052 -0.031 1
1 261 . 17 1 1 A 30 30 ARG CB C 30 30.220 29.962 0.258 1
1 270 . 17 1 1 A 30 30 ARG C C 30 178.562 178.229 0.333 1
1 271 . 17 1 1 A 31 31 HIS N N 31 119.736 119.641 0.095 1
1 272 . 17 1 1 A 31 31 HIS H H 31 7.693 7.811 -0.118 1
1 273 . 17 1 1 A 31 31 HIS CA C 31 59.093 59.089 0.004 1
1 274 . 17 1 1 A 31 31 HIS HA H 31 4.219 4.121 0.098 1
1 275 . 17 1 1 A 31 31 HIS CB C 31 28.571 29.929 -1.358 1
1 282 . 17 1 1 A 31 31 HIS C C 31 176.193 177.105 -0.912 1
1 283 . 17 1 1 A 32 32 ARG N N 32 115.270 118.499 -3.229 1
1 284 . 17 1 1 A 32 32 ARG H H 32 8.284 8.371 -0.087 1
1 285 . 17 1 1 A 32 32 ARG CA C 32 59.938 59.460 0.478 1
1 286 . 17 1 1 A 32 32 ARG HA H 32 3.690 3.988 -0.298 1
1 287 . 17 1 1 A 32 32 ARG CB C 32 29.938 29.872 0.066 1
1 296 . 17 1 1 A 32 32 ARG C C 32 177.517 179.019 -1.502 1
1 297 . 17 1 1 A 33 33 ARG N N 33 117.230 119.041 -1.811 1
1 298 . 17 1 1 A 33 33 ARG H H 33 7.078 7.754 -0.676 1
1 299 . 17 1 1 A 33 33 ARG CA C 33 58.344 58.971 -0.627 1
1 300 . 17 1 1 A 33 33 ARG HA H 33 4.161 4.009 0.152 1
1 301 . 17 1 1 A 33 33 ARG CB C 33 29.905 30.024 -0.119 1
1 310 . 17 1 1 A 33 33 ARG C C 33 178.467 178.678 -0.211 1
1 311 . 17 1 1 A 34 34 ILE N N 34 116.308 117.664 -1.356 1
1 312 . 17 1 1 A 34 34 ILE H H 34 7.826 7.851 -0.025 1
1 313 . 17 1 1 A 34 34 ILE CA C 34 63.103 64.047 -0.944 1
1 314 . 17 1 1 A 34 34 ILE HA H 34 3.988 3.753 0.235 1
1 315 . 17 1 1 A 34 34 ILE CB C 34 37.701 37.243 0.458 1
1 328 . 17 1 1 A 34 34 ILE C C 34 177.295 176.959 0.336 1
1 329 . 17 1 1 A 35 35 HIS N N 35 117.638 119.629 -1.991 1
1 330 . 17 1 1 A 35 35 HIS H H 35 7.284 7.048 0.236 1
1 331 . 17 1 1 A 35 35 HIS CA C 35 55.201 54.747 0.454 1
1 332 . 17 1 1 A 35 35 HIS HA H 35 4.868 4.643 0.225 1
1 333 . 17 1 1 A 35 35 HIS CB C 35 28.625 27.909 0.716 1
1 340 . 17 1 1 A 35 35 HIS C C 35 175.837 173.778 2.059 1
1 341 . 17 1 1 A 36 36 THR N N 36 111.405 109.804 1.601 1
1 342 . 17 1 1 A 36 36 THR H H 36 7.803 7.655 0.148 1
1 343 . 17 1 1 A 36 36 THR CA C 36 62.492 59.809 2.683 1
1 344 . 17 1 1 A 36 36 THR HA H 36 4.364 4.723 -0.359 1
1 345 . 17 1 1 A 36 36 THR CB C 36 69.845 71.868 -2.023 1
1 351 . 17 1 1 A 36 36 THR C C 36 175.507 174.526 0.981 1
1 352 . 17 1 1 A 37 37 GLY N N 37 110.690 110.740 -0.050 1
1 353 . 17 1 1 A 37 37 GLY H H 37 8.232 8.508 -0.276 1
1 354 . 17 1 1 A 37 37 GLY CA C 37 45.429 44.774 0.655 1
1 355 . 17 1 1 A 37 37 GLY HA2 H 37 3.946 4.064 -0.118 1
1 356 . 17 1 1 A 37 37 GLY HA3 H 37 4.046 4.069 -0.023 1
1 357 . 17 1 1 A 37 37 GLY C C 37 174.088 174.445 -0.357 1
1 358 . 17 1 1 A 38 38 GLU N N 38 120.568 118.395 2.173 1
1 359 . 17 1 1 A 38 38 GLU H H 38 8.064 8.933 -0.869 1
1 360 . 17 1 1 A 38 38 GLU CA C 38 56.499 57.504 -1.005 1
1 361 . 17 1 1 A 38 38 GLU HA H 38 4.241 3.796 0.445 1
1 362 . 17 1 1 A 38 38 GLU CB C 38 30.568 28.222 2.346 1
1 368 . 17 1 1 A 38 38 GLU C C 38 176.155 174.554 1.601 1
1 369 . 17 1 1 A 39 39 LYS N N 39 123.848 119.428 4.420 1
1 370 . 17 1 1 A 39 39 LYS H H 39 8.425 7.789 0.636 1
1 371 . 17 1 1 A 39 39 LYS CA C 39 54.028 53.033 0.995 1
1 372 . 17 1 1 A 39 39 LYS HA H 39 4.608 4.795 -0.187 1
1 373 . 17 1 1 A 39 39 LYS CB C 39 32.467 34.590 -2.123 1
1 385 . 17 1 1 A 39 39 LYS C C 39 174.487 174.616 -0.129 1
1 386 . 17 1 1 A 40 40 PRO CA C 40 63.260 62.882 0.378 1
1 387 . 17 1 1 A 40 40 PRO HA H 40 4.467 4.768 -0.301 1
1 388 . 17 1 1 A 40 40 PRO CB C 40 32.180 33.260 -1.080 1
1 397 . 17 1 1 A 42 42 GLY CA C 42 44.682 46.007 -1.325 1
1 398 . 17 1 1 A 42 42 GLY HA2 H 42 4.145 4.215 -0.070 1
1 399 . 17 1 1 A 42 42 GLY HA3 H 42 4.145 4.215 -0.070 1
1 400 . 17 1 1 A 43 43 PRO CA C 43 63.122 62.712 0.410 1
1 401 . 17 1 1 A 43 43 PRO HA H 43 4.464 4.714 -0.250 1
1 402 . 17 1 1 A 43 43 PRO CB C 43 32.215 31.624 0.591 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.332 46.183 -0.851 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 3.946 3.854 0.092 1
1 3 . 18 1 1 A 9 9 GLY HA3 H 9 3.973 3.854 0.119 1
1 4 . 18 1 1 A 10 10 GLU N N 10 120.577 118.422 2.155 1
1 5 . 18 1 1 A 10 10 GLU H H 10 8.220 8.188 0.032 1
1 6 . 18 1 1 A 10 10 GLU CA C 10 56.615 54.409 2.206 1
1 7 . 18 1 1 A 10 10 GLU HA H 10 4.230 5.154 -0.924 1
1 8 . 18 1 1 A 10 10 GLU CB C 10 30.561 33.534 -2.973 1
1 14 . 18 1 1 A 11 11 LYS N N 11 122.715 121.265 1.450 1
1 15 . 18 1 1 A 11 11 LYS H H 11 8.255 8.543 -0.288 1
1 16 . 18 1 1 A 11 11 LYS CA C 11 53.967 52.812 1.155 1
1 17 . 18 1 1 A 11 11 LYS HA H 11 4.542 4.794 -0.252 1
1 18 . 18 1 1 A 11 11 LYS CB C 11 32.542 34.052 -1.510 1
1 30 . 18 1 1 A 12 12 PRO CA C 12 63.013 64.784 -1.771 1
1 31 . 18 1 1 A 12 12 PRO HA H 12 4.338 4.270 0.068 1
1 32 . 18 1 1 A 12 12 PRO CB C 12 32.326 31.655 0.671 1
1 41 . 18 1 1 A 12 12 PRO C C 12 176.009 175.980 0.029 1
1 42 . 18 1 1 A 13 13 TYR N N 13 119.228 117.853 1.375 1
1 43 . 18 1 1 A 13 13 TYR H H 13 8.222 7.708 0.514 1
1 44 . 18 1 1 A 13 13 TYR CA C 13 57.803 57.611 0.192 1
1 45 . 18 1 1 A 13 13 TYR HA H 13 4.593 4.887 -0.294 1
1 46 . 18 1 1 A 13 13 TYR CB C 13 38.831 39.645 -0.814 1
1 57 . 18 1 1 A 13 13 TYR C C 13 174.614 175.925 -1.311 1
1 58 . 18 1 1 A 14 14 ILE N N 14 124.244 123.562 0.682 1
1 59 . 18 1 1 A 14 14 ILE H H 14 8.484 8.816 -0.332 1
1 60 . 18 1 1 A 14 14 ILE CA C 14 59.739 60.694 -0.955 1
1 61 . 18 1 1 A 14 14 ILE HA H 14 4.668 4.965 -0.297 1
1 62 . 18 1 1 A 14 14 ILE CB C 14 40.799 41.023 -0.224 1
1 75 . 18 1 1 A 14 14 ILE C C 14 175.726 175.161 0.565 1
1 76 . 18 1 1 A 15 15 CYS N N 15 128.675 127.261 1.414 1
1 77 . 18 1 1 A 15 15 CYS H H 15 9.226 8.664 0.562 1
1 78 . 18 1 1 A 15 15 CYS CA C 15 59.812 59.731 0.081 1
1 79 . 18 1 1 A 15 15 CYS HA H 15 4.528 4.525 0.003 1
1 80 . 18 1 1 A 15 15 CYS CB C 15 29.505 28.586 0.919 1
1 83 . 18 1 1 A 15 15 CYS C C 15 176.706 174.835 1.871 1
1 84 . 18 1 1 A 16 16 ASN CA C 16 55.739 53.954 1.785 1
1 85 . 18 1 1 A 16 16 ASN HA H 16 4.510 4.942 -0.432 1
1 86 . 18 1 1 A 16 16 ASN CB C 16 38.232 39.478 -1.246 1
1 92 . 18 1 1 A 16 16 ASN C C 16 175.263 176.867 -1.604 1
1 93 . 18 1 1 A 17 17 GLU N N 17 120.356 120.745 -0.389 1
1 94 . 18 1 1 A 17 17 GLU H H 17 8.711 7.922 0.789 1
1 95 . 18 1 1 A 17 17 GLU CA C 17 58.912 58.782 0.130 1
1 96 . 18 1 1 A 17 17 GLU HA H 17 4.219 3.947 0.272 1
1 97 . 18 1 1 A 17 17 GLU CB C 17 29.263 29.016 0.247 1
1 103 . 18 1 1 A 17 17 GLU C C 17 177.266 178.038 -0.772 1
1 104 . 18 1 1 A 18 18 CYS N N 18 114.672 114.899 -0.227 1
1 105 . 18 1 1 A 18 18 CYS H H 18 7.905 7.324 0.581 1
1 106 . 18 1 1 A 18 18 CYS CA C 18 58.496 59.673 -1.177 1
1 107 . 18 1 1 A 18 18 CYS HA H 18 5.190 4.572 0.618 1
1 108 . 18 1 1 A 18 18 CYS CB C 18 32.571 29.659 2.912 1
1 111 . 18 1 1 A 18 18 CYS C C 18 176.232 175.413 0.819 1
1 112 . 18 1 1 A 19 19 GLY N N 19 113.745 110.234 3.511 1
1 113 . 18 1 1 A 19 19 GLY H H 19 8.367 8.165 0.202 1
1 114 . 18 1 1 A 19 19 GLY CA C 19 46.162 45.760 0.402 1
1 115 . 18 1 1 A 19 19 GLY HA2 H 19 3.760 4.074 -0.314 1
1 116 . 18 1 1 A 19 19 GLY HA3 H 19 4.235 4.090 0.145 1
1 117 . 18 1 1 A 19 19 GLY C C 19 173.727 174.230 -0.503 1
1 118 . 18 1 1 A 20 20 LYS N N 20 122.843 121.084 1.759 1
1 119 . 18 1 1 A 20 20 LYS H H 20 7.974 7.834 0.140 1
1 120 . 18 1 1 A 20 20 LYS CA C 20 58.181 54.825 3.356 1
1 121 . 18 1 1 A 20 20 LYS HA H 20 4.028 4.805 -0.777 1
1 122 . 18 1 1 A 20 20 LYS CB C 20 33.694 35.153 -1.459 1
1 134 . 18 1 1 A 20 20 LYS C C 20 173.876 175.022 -1.146 1
1 135 . 18 1 1 A 21 21 SER N N 21 115.076 117.995 -2.919 1
1 136 . 18 1 1 A 21 21 SER H H 21 7.770 8.346 -0.576 1
1 137 . 18 1 1 A 21 21 SER CA C 21 56.403 56.987 -0.584 1
1 138 . 18 1 1 A 21 21 SER HA H 21 5.275 5.274 0.001 1
1 139 . 18 1 1 A 21 21 SER CB C 21 66.263 65.966 0.297 1
1 142 . 18 1 1 A 21 21 SER C C 21 173.404 172.696 0.708 1
1 143 . 18 1 1 A 22 22 PHE N N 22 118.840 121.227 -2.387 1
1 144 . 18 1 1 A 22 22 PHE H H 22 8.924 8.544 0.380 1
1 145 . 18 1 1 A 22 22 PHE CA C 22 57.316 56.454 0.862 1
1 146 . 18 1 1 A 22 22 PHE HA H 22 4.808 4.993 -0.185 1
1 147 . 18 1 1 A 22 22 PHE CB C 22 43.905 43.663 0.242 1
1 160 . 18 1 1 A 22 22 PHE C C 22 175.257 175.586 -0.329 1
1 161 . 18 1 1 A 23 23 ILE N N 23 119.405 120.550 -1.145 1
1 162 . 18 1 1 A 23 23 ILE H H 23 9.109 8.702 0.407 1
1 163 . 18 1 1 A 23 23 ILE CA C 23 62.857 62.126 0.731 1
1 164 . 18 1 1 A 23 23 ILE HA H 23 4.343 4.294 0.049 1
1 165 . 18 1 1 A 23 23 ILE CB C 23 38.939 38.947 -0.008 1
1 178 . 18 1 1 A 23 23 ILE C C 23 176.088 176.147 -0.059 1
1 179 . 18 1 1 A 24 24 GLN N N 24 114.920 120.900 -5.980 1
1 180 . 18 1 1 A 24 24 GLN H H 24 7.421 7.747 -0.326 1
1 181 . 18 1 1 A 24 24 GLN CA C 24 53.880 54.539 -0.659 1
1 182 . 18 1 1 A 24 24 GLN HA H 24 4.767 4.479 0.288 1
1 183 . 18 1 1 A 24 24 GLN CB C 24 31.063 30.296 0.767 1
1 192 . 18 1 1 A 24 24 GLN C C 24 176.179 175.530 0.649 1
1 193 . 18 1 1 A 25 25 LYS N N 25 127.347 127.438 -0.091 1
1 194 . 18 1 1 A 25 25 LYS H H 25 8.616 8.966 -0.350 1
1 195 . 18 1 1 A 25 25 LYS CA C 25 59.440 59.663 -0.223 1
1 196 . 18 1 1 A 25 25 LYS HA H 25 2.991 2.439 0.552 1
1 197 . 18 1 1 A 25 25 LYS CB C 25 31.645 32.136 -0.491 1
1 209 . 18 1 1 A 25 25 LYS C C 25 178.388 177.922 0.466 1
1 210 . 18 1 1 A 26 26 SER CA C 26 60.966 62.232 -1.266 1
1 211 . 18 1 1 A 26 26 SER HA H 26 4.070 4.081 -0.011 1
1 212 . 18 1 1 A 26 26 SER CB C 26 61.804 62.670 -0.866 1
1 215 . 18 1 1 A 26 26 SER C C 26 177.389 176.603 0.786 1
1 216 . 18 1 1 A 27 27 HIS N N 27 121.710 119.384 2.326 1
1 217 . 18 1 1 A 27 27 HIS H H 27 6.907 8.306 -1.399 1
1 218 . 18 1 1 A 27 27 HIS CA C 27 57.311 58.679 -1.368 1
1 219 . 18 1 1 A 27 27 HIS HA H 27 4.396 4.203 0.193 1
1 220 . 18 1 1 A 27 27 HIS CB C 27 31.623 29.738 1.885 1
1 227 . 18 1 1 A 27 27 HIS C C 27 178.263 177.343 0.920 1
1 228 . 18 1 1 A 28 28 LEU N N 28 122.374 120.459 1.915 1
1 229 . 18 1 1 A 28 28 LEU H H 28 7.041 7.664 -0.623 1
1 230 . 18 1 1 A 28 28 LEU CA C 28 57.786 57.848 -0.062 1
1 231 . 18 1 1 A 28 28 LEU HA H 28 3.137 3.104 0.033 1
1 232 . 18 1 1 A 28 28 LEU CB C 28 40.116 41.546 -1.430 1
1 245 . 18 1 1 A 28 28 LEU C C 28 177.533 178.039 -0.506 1
1 246 . 18 1 1 A 29 29 ASN N N 29 117.551 117.080 0.471 1
1 247 . 18 1 1 A 29 29 ASN H H 29 8.313 7.913 0.400 1
1 248 . 18 1 1 A 29 29 ASN CA C 29 56.172 55.998 0.174 1
1 249 . 18 1 1 A 29 29 ASN HA H 29 4.289 4.496 -0.207 1
1 250 . 18 1 1 A 29 29 ASN CB C 29 37.474 39.218 -1.744 1
1 256 . 18 1 1 A 29 29 ASN C C 29 177.889 177.432 0.457 1
1 257 . 18 1 1 A 30 30 ARG N N 30 119.042 119.673 -0.631 1
1 258 . 18 1 1 A 30 30 ARG H H 30 7.644 8.283 -0.639 1
1 259 . 18 1 1 A 30 30 ARG CA C 30 59.123 58.169 0.954 1
1 260 . 18 1 1 A 30 30 ARG HA H 30 4.021 4.036 -0.015 1
1 261 . 18 1 1 A 30 30 ARG CB C 30 30.220 29.955 0.265 1
1 270 . 18 1 1 A 30 30 ARG C C 30 178.562 178.354 0.208 1
1 271 . 18 1 1 A 31 31 HIS N N 31 119.736 119.490 0.246 1
1 272 . 18 1 1 A 31 31 HIS H H 31 7.693 8.050 -0.357 1
1 273 . 18 1 1 A 31 31 HIS CA C 31 59.093 59.102 -0.009 1
1 274 . 18 1 1 A 31 31 HIS HA H 31 4.219 4.134 0.085 1
1 275 . 18 1 1 A 31 31 HIS CB C 31 28.571 29.866 -1.295 1
1 282 . 18 1 1 A 31 31 HIS C C 31 176.193 177.054 -0.861 1
1 283 . 18 1 1 A 32 32 ARG N N 32 115.270 118.220 -2.950 1
1 284 . 18 1 1 A 32 32 ARG H H 32 8.284 8.429 -0.145 1
1 285 . 18 1 1 A 32 32 ARG CA C 32 59.938 59.403 0.535 1
1 286 . 18 1 1 A 32 32 ARG HA H 32 3.690 3.816 -0.126 1
1 287 . 18 1 1 A 32 32 ARG CB C 32 29.938 30.078 -0.140 1
1 296 . 18 1 1 A 32 32 ARG C C 32 177.517 178.825 -1.308 1
1 297 . 18 1 1 A 33 33 ARG N N 33 117.230 119.105 -1.875 1
1 298 . 18 1 1 A 33 33 ARG H H 33 7.078 8.002 -0.924 1
1 299 . 18 1 1 A 33 33 ARG CA C 33 58.344 58.946 -0.602 1
1 300 . 18 1 1 A 33 33 ARG HA H 33 4.161 3.963 0.198 1
1 301 . 18 1 1 A 33 33 ARG CB C 33 29.905 29.820 0.085 1
1 310 . 18 1 1 A 33 33 ARG C C 33 178.467 178.804 -0.337 1
1 311 . 18 1 1 A 34 34 ILE N N 34 116.308 117.958 -1.650 1
1 312 . 18 1 1 A 34 34 ILE H H 34 7.826 7.825 0.001 1
1 313 . 18 1 1 A 34 34 ILE CA C 34 63.103 63.912 -0.809 1
1 314 . 18 1 1 A 34 34 ILE HA H 34 3.988 3.767 0.221 1
1 315 . 18 1 1 A 34 34 ILE CB C 34 37.701 37.187 0.514 1
1 328 . 18 1 1 A 34 34 ILE C C 34 177.295 176.831 0.464 1
1 329 . 18 1 1 A 35 35 HIS N N 35 117.638 119.015 -1.377 1
1 330 . 18 1 1 A 35 35 HIS H H 35 7.284 7.300 -0.016 1
1 331 . 18 1 1 A 35 35 HIS CA C 35 55.201 54.543 0.658 1
1 332 . 18 1 1 A 35 35 HIS HA H 35 4.868 4.707 0.161 1
1 333 . 18 1 1 A 35 35 HIS CB C 35 28.625 27.840 0.785 1
1 340 . 18 1 1 A 35 35 HIS C C 35 175.837 173.884 1.953 1
1 341 . 18 1 1 A 36 36 THR N N 36 111.405 109.978 1.427 1
1 342 . 18 1 1 A 36 36 THR H H 36 7.803 7.609 0.194 1
1 343 . 18 1 1 A 36 36 THR CA C 36 62.492 59.708 2.784 1
1 344 . 18 1 1 A 36 36 THR HA H 36 4.364 4.674 -0.310 1
1 345 . 18 1 1 A 36 36 THR CB C 36 69.845 71.479 -1.634 1
1 351 . 18 1 1 A 36 36 THR C C 36 175.507 173.092 2.415 1
1 352 . 18 1 1 A 37 37 GLY N N 37 110.690 108.182 2.508 1
1 353 . 18 1 1 A 37 37 GLY H H 37 8.232 8.392 -0.160 1
1 354 . 18 1 1 A 37 37 GLY CA C 37 45.429 43.938 1.491 1
1 355 . 18 1 1 A 37 37 GLY HA2 H 37 3.946 4.111 -0.165 1
1 356 . 18 1 1 A 37 37 GLY HA3 H 37 4.046 4.113 -0.067 1
1 357 . 18 1 1 A 37 37 GLY C C 37 174.088 172.607 1.481 1
1 358 . 18 1 1 A 38 38 GLU N N 38 120.568 121.260 -0.692 1
1 359 . 18 1 1 A 38 38 GLU H H 38 8.064 8.372 -0.308 1
1 360 . 18 1 1 A 38 38 GLU CA C 38 56.499 55.502 0.997 1
1 361 . 18 1 1 A 38 38 GLU HA H 38 4.241 4.751 -0.510 1
1 362 . 18 1 1 A 38 38 GLU CB C 38 30.568 31.614 -1.046 1
1 368 . 18 1 1 A 38 38 GLU C C 38 176.155 174.821 1.334 1
1 369 . 18 1 1 A 39 39 LYS N N 39 123.848 124.548 -0.700 1
1 370 . 18 1 1 A 39 39 LYS H H 39 8.425 8.641 -0.216 1
1 371 . 18 1 1 A 39 39 LYS CA C 39 54.028 52.612 1.416 1
1 372 . 18 1 1 A 39 39 LYS HA H 39 4.608 4.956 -0.348 1
1 373 . 18 1 1 A 39 39 LYS CB C 39 32.467 33.434 -0.967 1
1 385 . 18 1 1 A 39 39 LYS C C 39 174.487 174.282 0.205 1
1 386 . 18 1 1 A 40 40 PRO CA C 40 63.260 62.464 0.796 1
1 387 . 18 1 1 A 40 40 PRO HA H 40 4.467 4.537 -0.070 1
1 388 . 18 1 1 A 40 40 PRO CB C 40 32.180 29.874 2.306 1
1 397 . 18 1 1 A 42 42 GLY CA C 42 44.682 45.306 -0.624 1
1 398 . 18 1 1 A 42 42 GLY HA2 H 42 4.145 4.031 0.114 1
1 399 . 18 1 1 A 42 42 GLY HA3 H 42 4.145 4.031 0.114 1
1 400 . 18 1 1 A 43 43 PRO CA C 43 63.122 64.036 -0.914 1
1 401 . 18 1 1 A 43 43 PRO HA H 43 4.464 4.356 0.108 1
1 402 . 18 1 1 A 43 43 PRO CB C 43 32.215 31.921 0.294 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.332 45.078 0.254 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 3.946 4.164 -0.218 1
1 3 . 19 1 1 A 9 9 GLY HA3 H 9 3.973 4.169 -0.196 1
1 4 . 19 1 1 A 10 10 GLU N N 10 120.577 125.970 -5.393 1
1 5 . 19 1 1 A 10 10 GLU H H 10 8.220 8.981 -0.761 1
1 6 . 19 1 1 A 10 10 GLU CA C 10 56.615 56.167 0.448 1
1 7 . 19 1 1 A 10 10 GLU HA H 10 4.230 4.708 -0.478 1
1 8 . 19 1 1 A 10 10 GLU CB C 10 30.561 30.457 0.104 1
1 14 . 19 1 1 A 11 11 LYS N N 11 122.715 126.950 -4.235 1
1 15 . 19 1 1 A 11 11 LYS H H 11 8.255 8.892 -0.637 1
1 16 . 19 1 1 A 11 11 LYS CA C 11 53.967 53.346 0.621 1
1 17 . 19 1 1 A 11 11 LYS HA H 11 4.542 4.737 -0.195 1
1 18 . 19 1 1 A 11 11 LYS CB C 11 32.542 33.225 -0.683 1
1 30 . 19 1 1 A 12 12 PRO CA C 12 63.013 64.959 -1.946 1
1 31 . 19 1 1 A 12 12 PRO HA H 12 4.338 4.282 0.056 1
1 32 . 19 1 1 A 12 12 PRO CB C 12 32.326 31.682 0.644 1
1 41 . 19 1 1 A 12 12 PRO C C 12 176.009 175.915 0.094 1
1 42 . 19 1 1 A 13 13 TYR N N 13 119.228 117.549 1.679 1
1 43 . 19 1 1 A 13 13 TYR H H 13 8.222 7.910 0.312 1
1 44 . 19 1 1 A 13 13 TYR CA C 13 57.803 57.426 0.377 1
1 45 . 19 1 1 A 13 13 TYR HA H 13 4.593 5.066 -0.473 1
1 46 . 19 1 1 A 13 13 TYR CB C 13 38.831 39.892 -1.061 1
1 57 . 19 1 1 A 13 13 TYR C C 13 174.614 175.253 -0.639 1
1 58 . 19 1 1 A 14 14 ILE N N 14 124.244 123.405 0.839 1
1 59 . 19 1 1 A 14 14 ILE H H 14 8.484 8.854 -0.370 1
1 60 . 19 1 1 A 14 14 ILE CA C 14 59.739 60.556 -0.817 1
1 61 . 19 1 1 A 14 14 ILE HA H 14 4.668 5.020 -0.352 1
1 62 . 19 1 1 A 14 14 ILE CB C 14 40.799 41.280 -0.481 1
1 75 . 19 1 1 A 14 14 ILE C C 14 175.726 175.168 0.558 1
1 76 . 19 1 1 A 15 15 CYS N N 15 128.675 127.389 1.286 1
1 77 . 19 1 1 A 15 15 CYS H H 15 9.226 9.145 0.081 1
1 78 . 19 1 1 A 15 15 CYS CA C 15 59.812 59.621 0.191 1
1 79 . 19 1 1 A 15 15 CYS HA H 15 4.528 4.563 -0.035 1
1 80 . 19 1 1 A 15 15 CYS CB C 15 29.505 28.888 0.617 1
1 83 . 19 1 1 A 15 15 CYS C C 15 176.706 174.709 1.997 1
1 84 . 19 1 1 A 16 16 ASN CA C 16 55.739 54.034 1.705 1
1 85 . 19 1 1 A 16 16 ASN HA H 16 4.510 4.962 -0.452 1
1 86 . 19 1 1 A 16 16 ASN CB C 16 38.232 39.660 -1.428 1
1 92 . 19 1 1 A 16 16 ASN C C 16 175.263 176.848 -1.585 1
1 93 . 19 1 1 A 17 17 GLU N N 17 120.356 120.451 -0.095 1
1 94 . 19 1 1 A 17 17 GLU H H 17 8.711 8.155 0.556 1
1 95 . 19 1 1 A 17 17 GLU CA C 17 58.912 59.015 -0.103 1
1 96 . 19 1 1 A 17 17 GLU HA H 17 4.219 3.891 0.328 1
1 97 . 19 1 1 A 17 17 GLU CB C 17 29.263 28.942 0.321 1
1 103 . 19 1 1 A 17 17 GLU C C 17 177.266 177.907 -0.641 1
1 104 . 19 1 1 A 18 18 CYS N N 18 114.672 115.079 -0.407 1
1 105 . 19 1 1 A 18 18 CYS H H 18 7.905 7.908 -0.003 1
1 106 . 19 1 1 A 18 18 CYS CA C 18 58.496 59.506 -1.010 1
1 107 . 19 1 1 A 18 18 CYS HA H 18 5.190 4.675 0.515 1
1 108 . 19 1 1 A 18 18 CYS CB C 18 32.571 30.182 2.389 1
1 111 . 19 1 1 A 18 18 CYS C C 18 176.232 175.662 0.570 1
1 112 . 19 1 1 A 19 19 GLY N N 19 113.745 110.175 3.570 1
1 113 . 19 1 1 A 19 19 GLY H H 19 8.367 8.389 -0.022 1
1 114 . 19 1 1 A 19 19 GLY CA C 19 46.162 46.352 -0.190 1
1 115 . 19 1 1 A 19 19 GLY HA2 H 19 3.760 4.016 -0.256 1
1 116 . 19 1 1 A 19 19 GLY HA3 H 19 4.235 4.032 0.203 1
1 117 . 19 1 1 A 19 19 GLY C C 19 173.727 174.203 -0.476 1
1 118 . 19 1 1 A 20 20 LYS N N 20 122.843 120.661 2.182 1
1 119 . 19 1 1 A 20 20 LYS H H 20 7.974 7.808 0.166 1
1 120 . 19 1 1 A 20 20 LYS CA C 20 58.181 54.668 3.513 1
1 121 . 19 1 1 A 20 20 LYS HA H 20 4.028 4.792 -0.764 1
1 122 . 19 1 1 A 20 20 LYS CB C 20 33.694 35.119 -1.425 1
1 134 . 19 1 1 A 20 20 LYS C C 20 173.876 174.621 -0.745 1
1 135 . 19 1 1 A 21 21 SER N N 21 115.076 114.446 0.630 1
1 136 . 19 1 1 A 21 21 SER H H 21 7.770 8.532 -0.762 1
1 137 . 19 1 1 A 21 21 SER CA C 21 56.403 56.190 0.213 1
1 138 . 19 1 1 A 21 21 SER HA H 21 5.275 5.417 -0.142 1
1 139 . 19 1 1 A 21 21 SER CB C 21 66.263 66.031 0.232 1
1 142 . 19 1 1 A 21 21 SER C C 21 173.404 172.716 0.688 1
1 143 . 19 1 1 A 22 22 PHE N N 22 118.840 118.400 0.440 1
1 144 . 19 1 1 A 22 22 PHE H H 22 8.924 8.669 0.255 1
1 145 . 19 1 1 A 22 22 PHE CA C 22 57.316 56.682 0.634 1
1 146 . 19 1 1 A 22 22 PHE HA H 22 4.808 5.069 -0.261 1
1 147 . 19 1 1 A 22 22 PHE CB C 22 43.905 44.352 -0.447 1
1 160 . 19 1 1 A 22 22 PHE C C 22 175.257 175.315 -0.058 1
1 161 . 19 1 1 A 23 23 ILE N N 23 119.405 119.835 -0.430 1
1 162 . 19 1 1 A 23 23 ILE H H 23 9.109 8.492 0.617 1
1 163 . 19 1 1 A 23 23 ILE CA C 23 62.857 62.417 0.440 1
1 164 . 19 1 1 A 23 23 ILE HA H 23 4.343 4.345 -0.002 1
1 165 . 19 1 1 A 23 23 ILE CB C 23 38.939 38.884 0.055 1
1 178 . 19 1 1 A 23 23 ILE C C 23 176.088 175.808 0.280 1
1 179 . 19 1 1 A 24 24 GLN N N 24 114.920 120.132 -5.212 1
1 180 . 19 1 1 A 24 24 GLN H H 24 7.421 7.553 -0.132 1
1 181 . 19 1 1 A 24 24 GLN CA C 24 53.880 55.026 -1.146 1
1 182 . 19 1 1 A 24 24 GLN HA H 24 4.767 4.555 0.212 1
1 183 . 19 1 1 A 24 24 GLN CB C 24 31.063 29.916 1.147 1
1 192 . 19 1 1 A 24 24 GLN C C 24 176.179 176.562 -0.383 1
1 193 . 19 1 1 A 25 25 LYS N N 25 127.347 123.313 4.034 1
1 194 . 19 1 1 A 25 25 LYS H H 25 8.616 8.393 0.223 1
1 195 . 19 1 1 A 25 25 LYS CA C 25 59.440 58.706 0.734 1
1 196 . 19 1 1 A 25 25 LYS HA H 25 2.991 2.892 0.099 1
1 197 . 19 1 1 A 25 25 LYS CB C 25 31.645 31.634 0.011 1
1 209 . 19 1 1 A 25 25 LYS C C 25 178.388 178.180 0.208 1
1 210 . 19 1 1 A 26 26 SER CA C 26 60.966 61.125 -0.159 1
1 211 . 19 1 1 A 26 26 SER HA H 26 4.070 4.085 -0.015 1
1 212 . 19 1 1 A 26 26 SER CB C 26 61.804 62.236 -0.432 1
1 215 . 19 1 1 A 26 26 SER C C 26 177.389 176.996 0.393 1
1 216 . 19 1 1 A 27 27 HIS N N 27 121.710 118.682 3.028 1
1 217 . 19 1 1 A 27 27 HIS H H 27 6.907 8.113 -1.206 1
1 218 . 19 1 1 A 27 27 HIS CA C 27 57.311 58.719 -1.408 1
1 219 . 19 1 1 A 27 27 HIS HA H 27 4.396 4.246 0.150 1
1 220 . 19 1 1 A 27 27 HIS CB C 27 31.623 30.057 1.566 1
1 227 . 19 1 1 A 27 27 HIS C C 27 178.263 177.223 1.040 1
1 228 . 19 1 1 A 28 28 LEU N N 28 122.374 120.600 1.774 1
1 229 . 19 1 1 A 28 28 LEU H H 28 7.041 7.457 -0.416 1
1 230 . 19 1 1 A 28 28 LEU CA C 28 57.786 57.569 0.217 1
1 231 . 19 1 1 A 28 28 LEU HA H 28 3.137 2.520 0.617 1
1 232 . 19 1 1 A 28 28 LEU CB C 28 40.116 41.549 -1.433 1
1 245 . 19 1 1 A 28 28 LEU C C 28 177.533 177.796 -0.263 1
1 246 . 19 1 1 A 29 29 ASN N N 29 117.551 116.397 1.154 1
1 247 . 19 1 1 A 29 29 ASN H H 29 8.313 8.218 0.095 1
1 248 . 19 1 1 A 29 29 ASN CA C 29 56.172 56.701 -0.529 1
1 249 . 19 1 1 A 29 29 ASN HA H 29 4.289 4.336 -0.047 1
1 250 . 19 1 1 A 29 29 ASN CB C 29 37.474 38.865 -1.391 1
1 256 . 19 1 1 A 29 29 ASN C C 29 177.889 177.939 -0.050 1
1 257 . 19 1 1 A 30 30 ARG N N 30 119.042 119.666 -0.624 1
1 258 . 19 1 1 A 30 30 ARG H H 30 7.644 8.275 -0.631 1
1 259 . 19 1 1 A 30 30 ARG CA C 30 59.123 58.827 0.296 1
1 260 . 19 1 1 A 30 30 ARG HA H 30 4.021 3.966 0.055 1
1 261 . 19 1 1 A 30 30 ARG CB C 30 30.220 29.801 0.419 1
1 270 . 19 1 1 A 30 30 ARG C C 30 178.562 178.864 -0.302 1
1 271 . 19 1 1 A 31 31 HIS N N 31 119.736 119.411 0.325 1
1 272 . 19 1 1 A 31 31 HIS H H 31 7.693 8.273 -0.580 1
1 273 . 19 1 1 A 31 31 HIS CA C 31 59.093 59.264 -0.171 1
1 274 . 19 1 1 A 31 31 HIS HA H 31 4.219 4.206 0.013 1
1 275 . 19 1 1 A 31 31 HIS CB C 31 28.571 29.985 -1.414 1
1 282 . 19 1 1 A 31 31 HIS C C 31 176.193 177.398 -1.205 1
1 283 . 19 1 1 A 32 32 ARG N N 32 115.270 118.121 -2.851 1
1 284 . 19 1 1 A 32 32 ARG H H 32 8.284 8.429 -0.145 1
1 285 . 19 1 1 A 32 32 ARG CA C 32 59.938 59.348 0.590 1
1 286 . 19 1 1 A 32 32 ARG HA H 32 3.690 3.872 -0.182 1
1 287 . 19 1 1 A 32 32 ARG CB C 32 29.938 29.743 0.195 1
1 296 . 19 1 1 A 32 32 ARG C C 32 177.517 178.489 -0.972 1
1 297 . 19 1 1 A 33 33 ARG N N 33 117.230 117.313 -0.083 1
1 298 . 19 1 1 A 33 33 ARG H H 33 7.078 8.193 -1.115 1
1 299 . 19 1 1 A 33 33 ARG CA C 33 58.344 58.533 -0.189 1
1 300 . 19 1 1 A 33 33 ARG HA H 33 4.161 4.209 -0.048 1
1 301 . 19 1 1 A 33 33 ARG CB C 33 29.905 29.975 -0.070 1
1 310 . 19 1 1 A 33 33 ARG C C 33 178.467 177.683 0.784 1
1 311 . 19 1 1 A 34 34 ILE N N 34 116.308 116.132 0.176 1
1 312 . 19 1 1 A 34 34 ILE H H 34 7.826 7.437 0.389 1
1 313 . 19 1 1 A 34 34 ILE CA C 34 63.103 64.188 -1.085 1
1 314 . 19 1 1 A 34 34 ILE HA H 34 3.988 3.714 0.274 1
1 315 . 19 1 1 A 34 34 ILE CB C 34 37.701 37.230 0.471 1
1 328 . 19 1 1 A 34 34 ILE C C 34 177.295 177.999 -0.704 1
1 329 . 19 1 1 A 35 35 HIS N N 35 117.638 120.015 -2.377 1
1 330 . 19 1 1 A 35 35 HIS H H 35 7.284 7.324 -0.040 1
1 331 . 19 1 1 A 35 35 HIS CA C 35 55.201 59.295 -4.094 1
1 332 . 19 1 1 A 35 35 HIS HA H 35 4.868 4.363 0.505 1
1 333 . 19 1 1 A 35 35 HIS CB C 35 28.625 30.863 -2.238 1
1 340 . 19 1 1 A 35 35 HIS C C 35 175.837 175.645 0.192 1
1 341 . 19 1 1 A 36 36 THR N N 36 111.405 111.717 -0.312 1
1 342 . 19 1 1 A 36 36 THR H H 36 7.803 7.951 -0.148 1
1 343 . 19 1 1 A 36 36 THR CA C 36 62.492 59.870 2.622 1
1 344 . 19 1 1 A 36 36 THR HA H 36 4.364 4.616 -0.252 1
1 345 . 19 1 1 A 36 36 THR CB C 36 69.845 70.293 -0.448 1
1 351 . 19 1 1 A 36 36 THR C C 36 175.507 173.462 2.045 1
1 352 . 19 1 1 A 37 37 GLY N N 37 110.690 115.008 -4.318 1
1 353 . 19 1 1 A 37 37 GLY H H 37 8.232 8.503 -0.271 1
1 354 . 19 1 1 A 37 37 GLY CA C 37 45.429 46.122 -0.693 1
1 355 . 19 1 1 A 37 37 GLY HA2 H 37 3.946 4.163 -0.217 1
1 356 . 19 1 1 A 37 37 GLY HA3 H 37 4.046 4.172 -0.126 1
1 357 . 19 1 1 A 37 37 GLY C C 37 174.088 172.744 1.344 1
1 358 . 19 1 1 A 38 38 GLU N N 38 120.568 123.498 -2.930 1
1 359 . 19 1 1 A 38 38 GLU H H 38 8.064 8.694 -0.630 1
1 360 . 19 1 1 A 38 38 GLU CA C 38 56.499 55.161 1.338 1
1 361 . 19 1 1 A 38 38 GLU HA H 38 4.241 4.585 -0.344 1
1 362 . 19 1 1 A 38 38 GLU CB C 38 30.568 29.550 1.018 1
1 368 . 19 1 1 A 38 38 GLU C C 38 176.155 175.696 0.459 1
1 369 . 19 1 1 A 39 39 LYS N N 39 123.848 124.152 -0.304 1
1 370 . 19 1 1 A 39 39 LYS H H 39 8.425 8.557 -0.132 1
1 371 . 19 1 1 A 39 39 LYS CA C 39 54.028 54.717 -0.689 1
1 372 . 19 1 1 A 39 39 LYS HA H 39 4.608 4.262 0.346 1
1 373 . 19 1 1 A 39 39 LYS CB C 39 32.467 33.302 -0.835 1
1 385 . 19 1 1 A 39 39 LYS C C 39 174.487 174.957 -0.470 1
1 386 . 19 1 1 A 40 40 PRO CA C 40 63.260 62.814 0.446 1
1 387 . 19 1 1 A 40 40 PRO HA H 40 4.467 4.686 -0.219 1
1 388 . 19 1 1 A 40 40 PRO CB C 40 32.180 31.757 0.423 1
1 397 . 19 1 1 A 42 42 GLY CA C 42 44.682 45.421 -0.739 1
1 398 . 19 1 1 A 42 42 GLY HA2 H 42 4.145 4.174 -0.029 1
1 399 . 19 1 1 A 42 42 GLY HA3 H 42 4.145 4.174 -0.029 1
1 400 . 19 1 1 A 43 43 PRO CA C 43 63.122 62.655 0.467 1
1 401 . 19 1 1 A 43 43 PRO HA H 43 4.464 4.608 -0.144 1
1 402 . 19 1 1 A 43 43 PRO CB C 43 32.215 33.432 -1.217 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.332 44.814 0.518 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 3.946 4.114 -0.168 1
1 3 . 20 1 1 A 9 9 GLY HA3 H 9 3.973 4.115 -0.142 1
1 4 . 20 1 1 A 10 10 GLU N N 10 120.577 120.464 0.113 1
1 5 . 20 1 1 A 10 10 GLU H H 10 8.220 8.534 -0.314 1
1 6 . 20 1 1 A 10 10 GLU CA C 10 56.615 54.792 1.823 1
1 7 . 20 1 1 A 10 10 GLU HA H 10 4.230 4.952 -0.722 1
1 8 . 20 1 1 A 10 10 GLU CB C 10 30.561 33.199 -2.638 1
1 14 . 20 1 1 A 11 11 LYS N N 11 122.715 121.821 0.894 1
1 15 . 20 1 1 A 11 11 LYS H H 11 8.255 8.545 -0.290 1
1 16 . 20 1 1 A 11 11 LYS CA C 11 53.967 54.823 -0.856 1
1 17 . 20 1 1 A 11 11 LYS HA H 11 4.542 4.350 0.192 1
1 18 . 20 1 1 A 11 11 LYS CB C 11 32.542 31.923 0.619 1
1 30 . 20 1 1 A 12 12 PRO CA C 12 63.013 65.015 -2.002 1
1 31 . 20 1 1 A 12 12 PRO HA H 12 4.338 4.271 0.067 1
1 32 . 20 1 1 A 12 12 PRO CB C 12 32.326 31.556 0.770 1
1 41 . 20 1 1 A 12 12 PRO C C 12 176.009 175.917 0.092 1
1 42 . 20 1 1 A 13 13 TYR N N 13 119.228 117.417 1.811 1
1 43 . 20 1 1 A 13 13 TYR H H 13 8.222 7.801 0.421 1
1 44 . 20 1 1 A 13 13 TYR CA C 13 57.803 57.372 0.431 1
1 45 . 20 1 1 A 13 13 TYR HA H 13 4.593 5.108 -0.515 1
1 46 . 20 1 1 A 13 13 TYR CB C 13 38.831 39.985 -1.154 1
1 57 . 20 1 1 A 13 13 TYR C C 13 174.614 175.186 -0.572 1
1 58 . 20 1 1 A 14 14 ILE N N 14 124.244 123.470 0.774 1
1 59 . 20 1 1 A 14 14 ILE H H 14 8.484 8.845 -0.361 1
1 60 . 20 1 1 A 14 14 ILE CA C 14 59.739 60.532 -0.793 1
1 61 . 20 1 1 A 14 14 ILE HA H 14 4.668 5.081 -0.413 1
1 62 . 20 1 1 A 14 14 ILE CB C 14 40.799 41.345 -0.546 1
1 75 . 20 1 1 A 14 14 ILE C C 14 175.726 175.126 0.600 1
1 76 . 20 1 1 A 15 15 CYS N N 15 128.675 127.390 1.285 1
1 77 . 20 1 1 A 15 15 CYS H H 15 9.226 9.038 0.188 1
1 78 . 20 1 1 A 15 15 CYS CA C 15 59.812 59.831 -0.019 1
1 79 . 20 1 1 A 15 15 CYS HA H 15 4.528 4.554 -0.026 1
1 80 . 20 1 1 A 15 15 CYS CB C 15 29.505 28.652 0.853 1
1 83 . 20 1 1 A 15 15 CYS C C 15 176.706 174.636 2.070 1
1 84 . 20 1 1 A 16 16 ASN CA C 16 55.739 54.371 1.368 1
1 85 . 20 1 1 A 16 16 ASN HA H 16 4.510 4.796 -0.286 1
1 86 . 20 1 1 A 16 16 ASN CB C 16 38.232 40.105 -1.873 1
1 92 . 20 1 1 A 16 16 ASN C C 16 175.263 177.259 -1.996 1
1 93 . 20 1 1 A 17 17 GLU N N 17 120.356 118.546 1.810 1
1 94 . 20 1 1 A 17 17 GLU H H 17 8.711 8.181 0.530 1
1 95 . 20 1 1 A 17 17 GLU CA C 17 58.912 58.672 0.240 1
1 96 . 20 1 1 A 17 17 GLU HA H 17 4.219 3.923 0.296 1
1 97 . 20 1 1 A 17 17 GLU CB C 17 29.263 28.566 0.697 1
1 103 . 20 1 1 A 17 17 GLU C C 17 177.266 178.114 -0.848 1
1 104 . 20 1 1 A 18 18 CYS N N 18 114.672 114.876 -0.204 1
1 105 . 20 1 1 A 18 18 CYS H H 18 7.905 7.604 0.301 1
1 106 . 20 1 1 A 18 18 CYS CA C 18 58.496 59.742 -1.246 1
1 107 . 20 1 1 A 18 18 CYS HA H 18 5.190 4.549 0.641 1
1 108 . 20 1 1 A 18 18 CYS CB C 18 32.571 29.577 2.994 1
1 111 . 20 1 1 A 18 18 CYS C C 18 176.232 175.532 0.700 1
1 112 . 20 1 1 A 19 19 GLY N N 19 113.745 110.249 3.496 1
1 113 . 20 1 1 A 19 19 GLY H H 19 8.367 8.243 0.124 1
1 114 . 20 1 1 A 19 19 GLY CA C 19 46.162 46.235 -0.073 1
1 115 . 20 1 1 A 19 19 GLY HA2 H 19 3.760 3.994 -0.234 1
1 116 . 20 1 1 A 19 19 GLY HA3 H 19 4.235 4.006 0.229 1
1 117 . 20 1 1 A 19 19 GLY C C 19 173.727 174.310 -0.583 1
1 118 . 20 1 1 A 20 20 LYS N N 20 122.843 119.308 3.535 1
1 119 . 20 1 1 A 20 20 LYS H H 20 7.974 7.931 0.043 1
1 120 . 20 1 1 A 20 20 LYS CA C 20 58.181 53.928 4.253 1
1 121 . 20 1 1 A 20 20 LYS HA H 20 4.028 4.592 -0.564 1
1 122 . 20 1 1 A 20 20 LYS CB C 20 33.694 34.270 -0.576 1
1 134 . 20 1 1 A 20 20 LYS C C 20 173.876 175.536 -1.660 1
1 135 . 20 1 1 A 21 21 SER N N 21 115.076 116.420 -1.344 1
1 136 . 20 1 1 A 21 21 SER H H 21 7.770 8.193 -0.423 1
1 137 . 20 1 1 A 21 21 SER CA C 21 56.403 56.446 -0.043 1
1 138 . 20 1 1 A 21 21 SER HA H 21 5.275 5.311 -0.036 1
1 139 . 20 1 1 A 21 21 SER CB C 21 66.263 66.084 0.179 1
1 142 . 20 1 1 A 21 21 SER C C 21 173.404 172.453 0.951 1
1 143 . 20 1 1 A 22 22 PHE N N 22 118.840 121.165 -2.325 1
1 144 . 20 1 1 A 22 22 PHE H H 22 8.924 8.569 0.355 1
1 145 . 20 1 1 A 22 22 PHE CA C 22 57.316 56.421 0.895 1
1 146 . 20 1 1 A 22 22 PHE HA H 22 4.808 5.023 -0.215 1
1 147 . 20 1 1 A 22 22 PHE CB C 22 43.905 44.364 -0.459 1
1 160 . 20 1 1 A 22 22 PHE C C 22 175.257 175.339 -0.082 1
1 161 . 20 1 1 A 23 23 ILE N N 23 119.405 120.101 -0.696 1
1 162 . 20 1 1 A 23 23 ILE H H 23 9.109 8.653 0.456 1
1 163 . 20 1 1 A 23 23 ILE CA C 23 62.857 62.402 0.455 1
1 164 . 20 1 1 A 23 23 ILE HA H 23 4.343 4.393 -0.050 1
1 165 . 20 1 1 A 23 23 ILE CB C 23 38.939 39.243 -0.304 1
1 178 . 20 1 1 A 23 23 ILE C C 23 176.088 176.081 0.007 1
1 179 . 20 1 1 A 24 24 GLN N N 24 114.920 120.180 -5.260 1
1 180 . 20 1 1 A 24 24 GLN H H 24 7.421 7.385 0.036 1
1 181 . 20 1 1 A 24 24 GLN CA C 24 53.880 55.293 -1.413 1
1 182 . 20 1 1 A 24 24 GLN HA H 24 4.767 4.393 0.374 1
1 183 . 20 1 1 A 24 24 GLN CB C 24 31.063 29.246 1.817 1
1 192 . 20 1 1 A 24 24 GLN C C 24 176.179 176.049 0.130 1
1 193 . 20 1 1 A 25 25 LYS N N 25 127.347 125.702 1.645 1
1 194 . 20 1 1 A 25 25 LYS H H 25 8.616 8.730 -0.114 1
1 195 . 20 1 1 A 25 25 LYS CA C 25 59.440 58.547 0.893 1
1 196 . 20 1 1 A 25 25 LYS HA H 25 2.991 2.725 0.266 1
1 197 . 20 1 1 A 25 25 LYS CB C 25 31.645 31.872 -0.227 1
1 209 . 20 1 1 A 25 25 LYS C C 25 178.388 177.877 0.511 1
1 210 . 20 1 1 A 26 26 SER CA C 26 60.966 62.371 -1.405 1
1 211 . 20 1 1 A 26 26 SER HA H 26 4.070 4.084 -0.014 1
1 212 . 20 1 1 A 26 26 SER CB C 26 61.804 63.072 -1.268 1
1 215 . 20 1 1 A 26 26 SER C C 26 177.389 176.525 0.864 1
1 216 . 20 1 1 A 27 27 HIS N N 27 121.710 119.389 2.321 1
1 217 . 20 1 1 A 27 27 HIS H H 27 6.907 7.873 -0.966 1
1 218 . 20 1 1 A 27 27 HIS CA C 27 57.311 58.812 -1.501 1
1 219 . 20 1 1 A 27 27 HIS HA H 27 4.396 4.252 0.144 1
1 220 . 20 1 1 A 27 27 HIS CB C 27 31.623 29.870 1.753 1
1 227 . 20 1 1 A 27 27 HIS C C 27 178.263 177.449 0.814 1
1 228 . 20 1 1 A 28 28 LEU N N 28 122.374 120.691 1.683 1
1 229 . 20 1 1 A 28 28 LEU H H 28 7.041 7.612 -0.571 1
1 230 . 20 1 1 A 28 28 LEU CA C 28 57.786 57.609 0.177 1
1 231 . 20 1 1 A 28 28 LEU HA H 28 3.137 3.248 -0.111 1
1 232 . 20 1 1 A 28 28 LEU CB C 28 40.116 41.596 -1.480 1
1 245 . 20 1 1 A 28 28 LEU C C 28 177.533 178.036 -0.503 1
1 246 . 20 1 1 A 29 29 ASN N N 29 117.551 117.219 0.332 1
1 247 . 20 1 1 A 29 29 ASN H H 29 8.313 8.185 0.128 1
1 248 . 20 1 1 A 29 29 ASN CA C 29 56.172 56.532 -0.360 1
1 249 . 20 1 1 A 29 29 ASN HA H 29 4.289 4.369 -0.080 1
1 250 . 20 1 1 A 29 29 ASN CB C 29 37.474 39.238 -1.764 1
1 256 . 20 1 1 A 29 29 ASN C C 29 177.889 177.926 -0.037 1
1 257 . 20 1 1 A 30 30 ARG N N 30 119.042 120.189 -1.147 1
1 258 . 20 1 1 A 30 30 ARG H H 30 7.644 7.983 -0.339 1
1 259 . 20 1 1 A 30 30 ARG CA C 30 59.123 58.749 0.374 1
1 260 . 20 1 1 A 30 30 ARG HA H 30 4.021 4.021 0.000 1
1 261 . 20 1 1 A 30 30 ARG CB C 30 30.220 29.683 0.537 1
1 270 . 20 1 1 A 30 30 ARG C C 30 178.562 178.649 -0.087 1
1 271 . 20 1 1 A 31 31 HIS N N 31 119.736 119.336 0.400 1
1 272 . 20 1 1 A 31 31 HIS H H 31 7.693 8.037 -0.344 1
1 273 . 20 1 1 A 31 31 HIS CA C 31 59.093 59.463 -0.370 1
1 274 . 20 1 1 A 31 31 HIS HA H 31 4.219 4.147 0.072 1
1 275 . 20 1 1 A 31 31 HIS CB C 31 28.571 29.815 -1.244 1
1 282 . 20 1 1 A 31 31 HIS C C 31 176.193 177.141 -0.948 1
1 283 . 20 1 1 A 32 32 ARG N N 32 115.270 118.005 -2.735 1
1 284 . 20 1 1 A 32 32 ARG H H 32 8.284 8.516 -0.232 1
1 285 . 20 1 1 A 32 32 ARG CA C 32 59.938 58.713 1.225 1
1 286 . 20 1 1 A 32 32 ARG HA H 32 3.690 4.068 -0.378 1
1 287 . 20 1 1 A 32 32 ARG CB C 32 29.938 29.959 -0.021 1
1 296 . 20 1 1 A 32 32 ARG C C 32 177.517 178.623 -1.106 1
1 297 . 20 1 1 A 33 33 ARG N N 33 117.230 118.064 -0.834 1
1 298 . 20 1 1 A 33 33 ARG H H 33 7.078 8.204 -1.126 1
1 299 . 20 1 1 A 33 33 ARG CA C 33 58.344 58.544 -0.200 1
1 300 . 20 1 1 A 33 33 ARG HA H 33 4.161 4.208 -0.047 1
1 301 . 20 1 1 A 33 33 ARG CB C 33 29.905 29.520 0.385 1
1 310 . 20 1 1 A 33 33 ARG C C 33 178.467 177.605 0.862 1
1 311 . 20 1 1 A 34 34 ILE N N 34 116.308 116.271 0.037 1
1 312 . 20 1 1 A 34 34 ILE H H 34 7.826 7.034 0.792 1
1 313 . 20 1 1 A 34 34 ILE CA C 34 63.103 64.223 -1.120 1
1 314 . 20 1 1 A 34 34 ILE HA H 34 3.988 3.730 0.258 1
1 315 . 20 1 1 A 34 34 ILE CB C 34 37.701 37.066 0.635 1
1 328 . 20 1 1 A 34 34 ILE C C 34 177.295 178.108 -0.813 1
1 329 . 20 1 1 A 35 35 HIS N N 35 117.638 119.373 -1.735 1
1 330 . 20 1 1 A 35 35 HIS H H 35 7.284 7.391 -0.107 1
1 331 . 20 1 1 A 35 35 HIS CA C 35 55.201 58.780 -3.579 1
1 332 . 20 1 1 A 35 35 HIS HA H 35 4.868 4.426 0.442 1
1 333 . 20 1 1 A 35 35 HIS CB C 35 28.625 30.957 -2.332 1
1 340 . 20 1 1 A 35 35 HIS C C 35 175.837 175.636 0.201 1
1 341 . 20 1 1 A 36 36 THR N N 36 111.405 109.489 1.916 1
1 342 . 20 1 1 A 36 36 THR H H 36 7.803 7.800 0.003 1
1 343 . 20 1 1 A 36 36 THR CA C 36 62.492 63.170 -0.678 1
1 344 . 20 1 1 A 36 36 THR HA H 36 4.364 4.106 0.258 1
1 345 . 20 1 1 A 36 36 THR CB C 36 69.845 68.410 1.435 1
1 351 . 20 1 1 A 36 36 THR C C 36 175.507 175.130 0.377 1
1 352 . 20 1 1 A 37 37 GLY N N 37 110.690 114.014 -3.324 1
1 353 . 20 1 1 A 37 37 GLY H H 37 8.232 8.890 -0.658 1
1 354 . 20 1 1 A 37 37 GLY CA C 37 45.429 45.188 0.241 1
1 355 . 20 1 1 A 37 37 GLY HA2 H 37 3.946 4.007 -0.061 1
1 356 . 20 1 1 A 37 37 GLY HA3 H 37 4.046 4.013 0.033 1
1 357 . 20 1 1 A 37 37 GLY C C 37 174.088 174.254 -0.166 1
1 358 . 20 1 1 A 38 38 GLU N N 38 120.568 121.922 -1.354 1
1 359 . 20 1 1 A 38 38 GLU H H 38 8.064 7.575 0.489 1
1 360 . 20 1 1 A 38 38 GLU CA C 38 56.499 55.807 0.692 1
1 361 . 20 1 1 A 38 38 GLU HA H 38 4.241 4.397 -0.156 1
1 362 . 20 1 1 A 38 38 GLU CB C 38 30.568 31.163 -0.595 1
1 368 . 20 1 1 A 38 38 GLU C C 38 176.155 176.331 -0.176 1
1 369 . 20 1 1 A 39 39 LYS N N 39 123.848 123.656 0.192 1
1 370 . 20 1 1 A 39 39 LYS H H 39 8.425 8.365 0.060 1
1 371 . 20 1 1 A 39 39 LYS CA C 39 54.028 55.379 -1.351 1
1 372 . 20 1 1 A 39 39 LYS HA H 39 4.608 4.321 0.287 1
1 373 . 20 1 1 A 39 39 LYS CB C 39 32.467 31.856 0.611 1
1 385 . 20 1 1 A 39 39 LYS C C 39 174.487 174.749 -0.262 1
1 386 . 20 1 1 A 40 40 PRO CA C 40 63.260 62.806 0.454 1
1 387 . 20 1 1 A 40 40 PRO HA H 40 4.467 4.785 -0.318 1
1 388 . 20 1 1 A 40 40 PRO CB C 40 32.180 33.113 -0.933 1
1 397 . 20 1 1 A 42 42 GLY CA C 42 44.682 45.291 -0.609 1
1 398 . 20 1 1 A 42 42 GLY HA2 H 42 4.145 4.148 -0.003 1
1 399 . 20 1 1 A 42 42 GLY HA3 H 42 4.145 4.149 -0.004 1
1 400 . 20 1 1 A 43 43 PRO CA C 43 63.122 62.538 0.584 1
1 401 . 20 1 1 A 43 43 PRO HA H 43 4.464 4.639 -0.175 1
1 402 . 20 1 1 A 43 43 PRO CB C 43 32.215 32.554 -0.339 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 28 1.079 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.217 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.023 1
4 1 1 1 "RMS(OBS, PRED)" H 27 0.423 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.273 1
6 1 1 1 "RMS(OBS, PRED)" N 27 2.278 1
7 1 2 1 "RMS(OBS, PRED)" C 28 0.807 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.409 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.106 1
10 1 2 1 "RMS(OBS, PRED)" H 27 0.560 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.297 1
12 1 2 1 "RMS(OBS, PRED)" N 27 2.547 1
13 1 3 1 "RMS(OBS, PRED)" C 28 0.841 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.281 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.162 1
16 1 3 1 "RMS(OBS, PRED)" H 27 0.509 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.228 1
18 1 3 1 "RMS(OBS, PRED)" N 27 2.429 1
19 1 4 1 "RMS(OBS, PRED)" C 28 1.040 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.400 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.155 1
22 1 4 1 "RMS(OBS, PRED)" H 27 0.559 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.261 1
24 1 4 1 "RMS(OBS, PRED)" N 27 2.188 1
25 1 5 1 "RMS(OBS, PRED)" C 28 0.759 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.295 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.328 1
28 1 5 1 "RMS(OBS, PRED)" H 27 0.575 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.268 1
30 1 5 1 "RMS(OBS, PRED)" N 27 2.717 1
31 1 6 1 "RMS(OBS, PRED)" C 28 0.739 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.308 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.283 1
34 1 6 1 "RMS(OBS, PRED)" H 27 0.529 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.280 1
36 1 6 1 "RMS(OBS, PRED)" N 27 2.007 1
37 1 7 1 "RMS(OBS, PRED)" C 28 0.865 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.181 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.050 1
40 1 7 1 "RMS(OBS, PRED)" H 27 0.458 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.276 1
42 1 7 1 "RMS(OBS, PRED)" N 27 2.565 1
43 1 8 1 "RMS(OBS, PRED)" C 28 0.747 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.196 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.160 1
46 1 8 1 "RMS(OBS, PRED)" H 27 0.554 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.266 1
48 1 8 1 "RMS(OBS, PRED)" N 27 2.331 1
49 1 9 1 "RMS(OBS, PRED)" C 28 0.843 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.466 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.103 1
52 1 9 1 "RMS(OBS, PRED)" H 27 0.487 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.303 1
54 1 9 1 "RMS(OBS, PRED)" N 27 2.731 1
55 1 10 1 "RMS(OBS, PRED)" C 28 1.042 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.246 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.247 1
58 1 10 1 "RMS(OBS, PRED)" H 27 0.580 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.287 1
60 1 10 1 "RMS(OBS, PRED)" N 27 2.489 1
61 1 11 1 "RMS(OBS, PRED)" C 28 0.829 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.396 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.172 1
64 1 11 1 "RMS(OBS, PRED)" H 27 0.509 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.281 1
66 1 11 1 "RMS(OBS, PRED)" N 27 2.301 1
67 1 12 1 "RMS(OBS, PRED)" C 28 0.664 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.262 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.254 1
70 1 12 1 "RMS(OBS, PRED)" H 27 0.572 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.275 1
72 1 12 1 "RMS(OBS, PRED)" N 27 2.580 1
73 1 13 1 "RMS(OBS, PRED)" C 28 1.113 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.291 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.430 1
76 1 13 1 "RMS(OBS, PRED)" H 27 0.506 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.312 1
78 1 13 1 "RMS(OBS, PRED)" N 27 2.259 1
79 1 14 1 "RMS(OBS, PRED)" C 28 1.040 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.010 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.235 1
82 1 14 1 "RMS(OBS, PRED)" H 27 0.503 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.271 1
84 1 14 1 "RMS(OBS, PRED)" N 27 2.146 1
85 1 15 1 "RMS(OBS, PRED)" C 28 0.815 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.166 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.483 1
88 1 15 1 "RMS(OBS, PRED)" H 27 0.569 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.292 1
90 1 15 1 "RMS(OBS, PRED)" N 27 2.910 1
91 1 16 1 "RMS(OBS, PRED)" C 28 0.953 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.186 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.211 1
94 1 16 1 "RMS(OBS, PRED)" H 27 0.486 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.268 1
96 1 16 1 "RMS(OBS, PRED)" N 27 2.627 1
97 1 17 1 "RMS(OBS, PRED)" C 28 1.031 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.087 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.433 1
100 1 17 1 "RMS(OBS, PRED)" H 27 0.490 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.281 1
102 1 17 1 "RMS(OBS, PRED)" N 27 2.351 1
103 1 18 1 "RMS(OBS, PRED)" C 28 1.065 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.232 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.293 1
106 1 18 1 "RMS(OBS, PRED)" H 27 0.511 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.315 1
108 1 18 1 "RMS(OBS, PRED)" N 27 2.093 1
109 1 19 1 "RMS(OBS, PRED)" C 28 0.879 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.296 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.046 1
112 1 19 1 "RMS(OBS, PRED)" H 27 0.517 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.300 1
114 1 19 1 "RMS(OBS, PRED)" N 27 2.553 1
115 1 20 1 "RMS(OBS, PRED)" C 28 0.860 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.332 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.298 1
118 1 20 1 "RMS(OBS, PRED)" H 27 0.464 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.288 1
120 1 20 1 "RMS(OBS, PRED)" N 27 2.057 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 9 9 GLY CA C 9 45.332 45.282 0.050 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 3.946 4.094 -0.148 2
1 3 . 1 1 A 9 9 GLY HA3 H 9 3.973 4.096 -0.123 2
1 4 . 1 1 A 10 10 GLU N N 10 120.577 120.952 -0.375 2
1 5 . 1 1 A 10 10 GLU H H 10 8.220 8.550 -0.330 2
1 6 . 1 1 A 10 10 GLU CA C 10 56.615 55.930 0.685 2
1 7 . 1 1 A 10 10 GLU HA H 10 4.230 4.509 -0.279 2
1 8 . 1 1 A 10 10 GLU CB C 10 30.561 29.912 0.649 2
1 14 . 1 1 A 11 11 LYS N N 11 122.715 122.036 0.679 2
1 15 . 1 1 A 11 11 LYS H H 11 8.255 8.043 0.212 2
1 16 . 1 1 A 11 11 LYS CA C 11 53.967 53.691 0.276 2
1 17 . 1 1 A 11 11 LYS HA H 11 4.542 4.590 -0.048 2
1 18 . 1 1 A 11 11 LYS CB C 11 32.542 33.011 -0.469 2
1 30 . 1 1 A 12 12 PRO CA C 12 63.013 64.896 -1.883 2
1 31 . 1 1 A 12 12 PRO HA H 12 4.338 4.274 0.064 2
1 32 . 1 1 A 12 12 PRO CB C 12 32.326 31.659 0.668 2
1 41 . 1 1 A 12 12 PRO C C 12 176.009 175.918 0.091 2
1 42 . 1 1 A 13 13 TYR N N 13 119.228 117.589 1.639 2
1 43 . 1 1 A 13 13 TYR H H 13 8.222 7.678 0.544 2
1 44 . 1 1 A 13 13 TYR CA C 13 57.803 57.263 0.540 2
1 45 . 1 1 A 13 13 TYR HA H 13 4.593 5.141 -0.548 2
1 46 . 1 1 A 13 13 TYR CB C 13 38.831 40.375 -1.544 2
1 57 . 1 1 A 13 13 TYR C C 13 174.614 175.341 -0.727 2
1 58 . 1 1 A 14 14 ILE N N 14 124.244 123.259 0.985 2
1 59 . 1 1 A 14 14 ILE H H 14 8.484 8.868 -0.384 2
1 60 . 1 1 A 14 14 ILE CA C 14 59.739 60.419 -0.680 2
1 61 . 1 1 A 14 14 ILE HA H 14 4.668 4.971 -0.303 2
1 62 . 1 1 A 14 14 ILE CB C 14 40.799 41.543 -0.744 2
1 75 . 1 1 A 14 14 ILE C C 14 175.726 175.119 0.607 2
1 76 . 1 1 A 15 15 CYS N N 15 128.675 127.150 1.525 2
1 77 . 1 1 A 15 15 CYS H H 15 9.226 9.092 0.134 2
1 78 . 1 1 A 15 15 CYS CA C 15 59.812 59.633 0.179 2
1 79 . 1 1 A 15 15 CYS HA H 15 4.528 4.615 -0.087 2
1 80 . 1 1 A 15 15 CYS CB C 15 29.505 28.487 1.018 2
1 83 . 1 1 A 15 15 CYS C C 15 176.706 175.438 1.268 2
1 84 . 1 1 A 16 16 ASN CA C 16 55.739 54.110 1.629 2
1 85 . 1 1 A 16 16 ASN HA H 16 4.510 4.834 -0.324 2
1 86 . 1 1 A 16 16 ASN CB C 16 38.232 39.147 -0.915 2
1 92 . 1 1 A 16 16 ASN C C 16 175.263 176.771 -1.508 2
1 93 . 1 1 A 17 17 GLU N N 17 120.356 119.357 0.999 2
1 94 . 1 1 A 17 17 GLU H H 17 8.711 8.045 0.666 2
1 95 . 1 1 A 17 17 GLU CA C 17 58.912 58.465 0.447 2
1 96 . 1 1 A 17 17 GLU HA H 17 4.219 4.093 0.126 2
1 97 . 1 1 A 17 17 GLU CB C 17 29.263 29.652 -0.389 2
1 103 . 1 1 A 17 17 GLU C C 17 177.266 178.000 -0.735 2
1 104 . 1 1 A 18 18 CYS N N 18 114.672 114.973 -0.301 2
1 105 . 1 1 A 18 18 CYS H H 18 7.905 7.894 0.011 2
1 106 . 1 1 A 18 18 CYS CA C 18 58.496 59.557 -1.061 2
1 107 . 1 1 A 18 18 CYS HA H 18 5.190 4.614 0.576 2
1 108 . 1 1 A 18 18 CYS CB C 18 32.571 29.900 2.671 2
1 111 . 1 1 A 18 18 CYS C C 18 176.232 175.475 0.757 2
1 112 . 1 1 A 19 19 GLY N N 19 113.745 110.229 3.516 2
1 113 . 1 1 A 19 19 GLY H H 19 8.367 8.224 0.143 2
1 114 . 1 1 A 19 19 GLY CA C 19 46.162 45.661 0.501 2
1 115 . 1 1 A 19 19 GLY HA2 H 19 3.760 4.035 -0.275 2
1 116 . 1 1 A 19 19 GLY HA3 H 19 4.235 4.046 0.189 2
1 117 . 1 1 A 19 19 GLY C C 19 173.727 174.268 -0.541 2
1 118 . 1 1 A 20 20 LYS N N 20 122.843 120.525 2.318 2
1 119 . 1 1 A 20 20 LYS H H 20 7.974 7.762 0.212 2
1 120 . 1 1 A 20 20 LYS CA C 20 58.181 54.707 3.474 2
1 121 . 1 1 A 20 20 LYS HA H 20 4.028 4.578 -0.550 2
1 122 . 1 1 A 20 20 LYS CB C 20 33.694 34.482 -0.788 2
1 134 . 1 1 A 20 20 LYS C C 20 173.876 175.150 -1.274 2
1 135 . 1 1 A 21 21 SER N N 21 115.076 115.884 -0.808 2
1 136 . 1 1 A 21 21 SER H H 21 7.770 8.408 -0.638 2
1 137 . 1 1 A 21 21 SER CA C 21 56.403 56.164 0.239 2
1 138 . 1 1 A 21 21 SER HA H 21 5.275 5.382 -0.107 2
1 139 . 1 1 A 21 21 SER CB C 21 66.263 65.991 0.272 2
1 142 . 1 1 A 21 21 SER C C 21 173.404 172.781 0.623 2
1 143 . 1 1 A 22 22 PHE N N 22 118.840 119.284 -0.444 2
1 144 . 1 1 A 22 22 PHE H H 22 8.924 8.635 0.289 2
1 145 . 1 1 A 22 22 PHE CA C 22 57.316 56.523 0.794 2
1 146 . 1 1 A 22 22 PHE HA H 22 4.808 4.996 -0.188 2
1 147 . 1 1 A 22 22 PHE CB C 22 43.905 43.844 0.061 2
1 160 . 1 1 A 22 22 PHE C C 22 175.257 175.206 0.051 2
1 161 . 1 1 A 23 23 ILE N N 23 119.405 118.981 0.424 2
1 162 . 1 1 A 23 23 ILE H H 23 9.109 8.668 0.441 2
1 163 . 1 1 A 23 23 ILE CA C 23 62.857 61.746 1.111 2
1 164 . 1 1 A 23 23 ILE HA H 23 4.343 4.495 -0.152 2
1 165 . 1 1 A 23 23 ILE CB C 23 38.939 39.370 -0.431 2
1 178 . 1 1 A 23 23 ILE C C 23 176.088 175.680 0.407 2
1 179 . 1 1 A 24 24 GLN N N 24 114.920 121.525 -6.605 2
1 180 . 1 1 A 24 24 GLN H H 24 7.421 7.705 -0.284 2
1 181 . 1 1 A 24 24 GLN CA C 24 53.880 54.624 -0.744 2
1 182 . 1 1 A 24 24 GLN HA H 24 4.767 4.560 0.207 2
1 183 . 1 1 A 24 24 GLN CB C 24 31.063 30.411 0.652 2
1 192 . 1 1 A 24 24 GLN C C 24 176.179 175.875 0.304 2
1 193 . 1 1 A 25 25 LYS N N 25 127.347 125.387 1.960 2
1 194 . 1 1 A 25 25 LYS H H 25 8.616 8.634 -0.018 2
1 195 . 1 1 A 25 25 LYS CA C 25 59.440 58.980 0.460 2
1 196 . 1 1 A 25 25 LYS HA H 25 2.991 2.982 0.009 2
1 197 . 1 1 A 25 25 LYS CB C 25 31.645 31.911 -0.266 2
1 209 . 1 1 A 25 25 LYS C C 25 178.388 177.992 0.396 2
1 210 . 1 1 A 26 26 SER CA C 26 60.966 61.691 -0.725 2
1 211 . 1 1 A 26 26 SER HA H 26 4.070 4.096 -0.026 2
1 212 . 1 1 A 26 26 SER CB C 26 61.804 62.734 -0.930 2
1 215 . 1 1 A 26 26 SER C C 26 177.389 176.754 0.635 2
1 216 . 1 1 A 27 27 HIS N N 27 121.710 119.366 2.344 2
1 217 . 1 1 A 27 27 HIS H H 27 6.907 7.923 -1.016 2
1 218 . 1 1 A 27 27 HIS CA C 27 57.311 58.826 -1.515 2
1 219 . 1 1 A 27 27 HIS HA H 27 4.396 4.212 0.184 2
1 220 . 1 1 A 27 27 HIS CB C 27 31.623 29.831 1.792 2
1 227 . 1 1 A 27 27 HIS C C 27 178.263 177.229 1.034 2
1 228 . 1 1 A 28 28 LEU N N 28 122.374 120.556 1.818 2
1 229 . 1 1 A 28 28 LEU H H 28 7.041 7.515 -0.474 2
1 230 . 1 1 A 28 28 LEU CA C 28 57.786 57.648 0.138 2
1 231 . 1 1 A 28 28 LEU HA H 28 3.137 3.008 0.129 2
1 232 . 1 1 A 28 28 LEU CB C 28 40.116 41.646 -1.530 2
1 245 . 1 1 A 28 28 LEU C C 28 177.533 178.114 -0.581 2
1 246 . 1 1 A 29 29 ASN N N 29 117.551 116.648 0.903 2
1 247 . 1 1 A 29 29 ASN H H 29 8.313 8.187 0.126 2
1 248 . 1 1 A 29 29 ASN CA C 29 56.172 56.407 -0.235 2
1 249 . 1 1 A 29 29 ASN HA H 29 4.289 4.389 -0.100 2
1 250 . 1 1 A 29 29 ASN CB C 29 37.474 38.657 -1.183 2
1 256 . 1 1 A 29 29 ASN C C 29 177.889 177.671 0.218 2
1 257 . 1 1 A 30 30 ARG N N 30 119.042 119.678 -0.636 2
1 258 . 1 1 A 30 30 ARG H H 30 7.644 8.039 -0.395 2
1 259 . 1 1 A 30 30 ARG CA C 30 59.123 58.691 0.432 2
1 260 . 1 1 A 30 30 ARG HA H 30 4.021 4.029 -0.008 2
1 261 . 1 1 A 30 30 ARG CB C 30 30.220 30.062 0.158 2
1 270 . 1 1 A 30 30 ARG C C 30 178.562 178.412 0.150 2
1 271 . 1 1 A 31 31 HIS N N 31 119.736 119.548 0.188 2
1 272 . 1 1 A 31 31 HIS H H 31 7.693 8.077 -0.384 2
1 273 . 1 1 A 31 31 HIS CA C 31 59.093 59.520 -0.426 2
1 274 . 1 1 A 31 31 HIS HA H 31 4.219 4.101 0.117 2
1 275 . 1 1 A 31 31 HIS CB C 31 28.571 29.653 -1.082 2
1 282 . 1 1 A 31 31 HIS C C 31 176.193 176.893 -0.700 2
1 283 . 1 1 A 32 32 ARG N N 32 115.270 117.830 -2.560 2
1 284 . 1 1 A 32 32 ARG H H 32 8.284 8.361 -0.077 2
1 285 . 1 1 A 32 32 ARG CA C 32 59.938 59.323 0.615 2
1 286 . 1 1 A 32 32 ARG HA H 32 3.690 3.892 -0.202 2
1 287 . 1 1 A 32 32 ARG CB C 32 29.938 29.883 0.055 2
1 296 . 1 1 A 32 32 ARG C C 32 177.517 178.718 -1.201 2
1 297 . 1 1 A 33 33 ARG N N 33 117.230 118.003 -0.773 2
1 298 . 1 1 A 33 33 ARG H H 33 7.078 8.213 -1.135 2
1 299 . 1 1 A 33 33 ARG CA C 33 58.344 58.732 -0.388 2
1 300 . 1 1 A 33 33 ARG HA H 33 4.161 4.092 0.069 2
1 301 . 1 1 A 33 33 ARG CB C 33 29.905 29.875 0.030 2
1 310 . 1 1 A 33 33 ARG C C 33 178.467 177.942 0.525 2
1 311 . 1 1 A 34 34 ILE N N 34 116.308 116.618 -0.310 2
1 312 . 1 1 A 34 34 ILE H H 34 7.826 7.594 0.232 2
1 313 . 1 1 A 34 34 ILE CA C 34 63.103 64.012 -0.909 2
1 314 . 1 1 A 34 34 ILE HA H 34 3.988 3.721 0.267 2
1 315 . 1 1 A 34 34 ILE CB C 34 37.701 37.149 0.552 2
1 328 . 1 1 A 34 34 ILE C C 34 177.295 177.519 -0.224 2
1 329 . 1 1 A 35 35 HIS N N 35 117.638 119.723 -2.085 2
1 330 . 1 1 A 35 35 HIS H H 35 7.284 7.367 -0.083 2
1 331 . 1 1 A 35 35 HIS CA C 35 55.201 57.979 -2.778 2
1 332 . 1 1 A 35 35 HIS HA H 35 4.868 4.479 0.390 2
1 333 . 1 1 A 35 35 HIS CB C 35 28.625 30.087 -1.463 2
1 340 . 1 1 A 35 35 HIS C C 35 175.837 175.327 0.510 2
1 341 . 1 1 A 36 36 THR N N 36 111.405 110.437 0.968 2
1 342 . 1 1 A 36 36 THR H H 36 7.803 7.604 0.199 2
1 343 . 1 1 A 36 36 THR CA C 36 62.492 61.769 0.723 2
1 344 . 1 1 A 36 36 THR HA H 36 4.364 4.382 -0.018 2
1 345 . 1 1 A 36 36 THR CB C 36 69.845 69.433 0.412 2
1 351 . 1 1 A 36 36 THR C C 36 175.507 174.273 1.234 2
1 352 . 1 1 A 37 37 GLY N N 37 110.690 111.639 -0.949 2
1 353 . 1 1 A 37 37 GLY H H 37 8.232 8.455 -0.223 2
1 354 . 1 1 A 37 37 GLY CA C 37 45.429 45.283 0.146 2
1 355 . 1 1 A 37 37 GLY HA2 H 37 3.946 4.133 -0.187 2
1 356 . 1 1 A 37 37 GLY HA3 H 37 4.046 4.139 -0.093 2
1 357 . 1 1 A 37 37 GLY C C 37 174.088 173.290 0.798 2
1 358 . 1 1 A 38 38 GLU N N 38 120.568 121.743 -1.176 2
1 359 . 1 1 A 38 38 GLU H H 38 8.064 8.540 -0.476 2
1 360 . 1 1 A 38 38 GLU CA C 38 56.499 56.053 0.446 2
1 361 . 1 1 A 38 38 GLU HA H 38 4.241 4.435 -0.194 2
1 362 . 1 1 A 38 38 GLU CB C 38 30.568 30.044 0.524 2
1 368 . 1 1 A 38 38 GLU C C 38 176.155 175.430 0.725 2
1 369 . 1 1 A 39 39 LYS N N 39 123.848 122.571 1.277 2
1 370 . 1 1 A 39 39 LYS H H 39 8.425 8.136 0.289 2
1 371 . 1 1 A 39 39 LYS CA C 39 54.028 54.016 0.012 2
1 372 . 1 1 A 39 39 LYS HA H 39 4.608 4.593 0.014 2
1 373 . 1 1 A 39 39 LYS CB C 39 32.467 33.679 -1.212 2
1 385 . 1 1 A 39 39 LYS C C 39 174.487 175.059 -0.572 2
1 386 . 1 1 A 40 40 PRO CA C 40 63.260 63.324 -0.064 2
1 387 . 1 1 A 40 40 PRO HA H 40 4.467 4.587 -0.120 2
1 388 . 1 1 A 40 40 PRO CB C 40 32.180 31.890 0.290 2
1 397 . 1 1 A 42 42 GLY CA C 42 44.682 45.274 -0.592 2
1 398 . 1 1 A 42 42 GLY HA2 H 42 4.145 4.127 0.018 2
1 399 . 1 1 A 42 42 GLY HA3 H 42 4.145 4.128 0.017 2
1 400 . 1 1 A 43 43 PRO CA C 43 63.122 63.288 -0.166 2
1 401 . 1 1 A 43 43 PRO HA H 43 4.464 4.548 -0.084 2
1 402 . 1 1 A 43 43 PRO CB C 43 32.215 32.017 0.198 2
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