data_15281_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15281
_Entry.PDB_ID 2JQN
_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 12 . 1 1 1 A 2 2 THR HA H 2 3.833 3.928 -0.095 1
1 17 . 1 1 1 A 2 2 THR C C 2 170.665 173.867 -3.202 1
1 18 . 1 1 1 A 2 2 THR CA C 2 62.154 66.294 -4.140 1
1 19 . 1 1 1 A 2 2 THR CB C 2 69.580 66.805 2.775 1
1 21 . 1 1 1 A 3 3 LEU H H 3 9.068 8.320 0.748 1
1 22 . 1 1 1 A 3 3 LEU HA H 3 4.887 4.275 0.612 1
1 32 . 1 1 1 A 3 3 LEU C C 3 175.859 175.464 0.395 1
1 33 . 1 1 1 A 3 3 LEU CA C 3 54.426 54.654 -0.228 1
1 34 . 1 1 1 A 3 3 LEU CB C 3 43.222 40.623 2.599 1
1 38 . 1 1 1 A 3 3 LEU N N 3 129.030 121.398 7.632 1
1 39 . 1 1 1 A 4 4 ILE H H 4 8.897 8.292 0.605 1
1 40 . 1 1 1 A 4 4 ILE HA H 4 4.753 4.518 0.235 1
1 50 . 1 1 1 A 4 4 ILE C C 4 174.211 174.627 -0.416 1
1 51 . 1 1 1 A 4 4 ILE CA C 4 59.998 59.655 0.343 1
1 52 . 1 1 1 A 4 4 ILE CB C 4 41.129 39.082 2.047 1
1 56 . 1 1 1 A 4 4 ILE N N 4 115.702 121.482 -5.780 1
1 57 . 1 1 1 A 5 5 TYR H H 5 9.050 9.573 -0.523 1
1 58 . 1 1 1 A 5 5 TYR HA H 5 5.770 5.767 0.003 1
1 65 . 1 1 1 A 5 5 TYR C C 5 175.987 174.308 1.679 1
1 66 . 1 1 1 A 5 5 TYR CA C 5 57.923 56.249 1.674 1
1 67 . 1 1 1 A 5 5 TYR CB C 5 42.963 42.166 0.797 1
1 72 . 1 1 1 A 5 5 TYR N N 5 114.414 122.360 -7.946 1
1 73 . 1 1 1 A 6 6 LYS H H 6 8.858 8.760 0.098 1
1 74 . 1 1 1 A 6 6 LYS HA H 6 4.813 5.034 -0.221 1
1 83 . 1 1 1 A 6 6 LYS C C 6 172.801 174.579 -1.778 1
1 84 . 1 1 1 A 6 6 LYS CA C 6 52.969 54.576 -1.607 1
1 85 . 1 1 1 A 6 6 LYS CB C 6 37.109 35.421 1.688 1
1 89 . 1 1 1 A 6 6 LYS N N 6 121.597 122.529 -0.932 1
1 90 . 1 1 1 A 7 7 ILE H H 7 8.277 8.800 -0.523 1
1 91 . 1 1 1 A 7 7 ILE HA H 7 4.702 4.932 -0.230 1
1 101 . 1 1 1 A 7 7 ILE C C 7 173.742 174.793 -1.051 1
1 102 . 1 1 1 A 7 7 ILE CA C 7 60.340 59.728 0.612 1
1 103 . 1 1 1 A 7 7 ILE CB C 7 38.941 38.504 0.437 1
1 107 . 1 1 1 A 7 7 ILE N N 7 128.212 128.240 -0.028 1
1 108 . 1 1 1 A 8 8 LEU H H 8 8.627 8.366 0.261 1
1 109 . 1 1 1 A 8 8 LEU HA H 8 4.757 5.054 -0.297 1
1 119 . 1 1 1 A 8 8 LEU C C 8 173.661 174.955 -1.294 1
1 120 . 1 1 1 A 8 8 LEU CA C 8 54.530 53.571 0.959 1
1 121 . 1 1 1 A 8 8 LEU CB C 8 43.617 45.244 -1.627 1
1 125 . 1 1 1 A 8 8 LEU N N 8 126.590 123.705 2.885 1
1 126 . 1 1 1 A 9 9 SER H H 9 8.546 8.609 -0.063 1
1 127 . 1 1 1 A 9 9 SER HA H 9 4.765 4.691 0.074 1
1 130 . 1 1 1 A 9 9 SER C C 9 175.160 175.536 -0.376 1
1 131 . 1 1 1 A 9 9 SER CA C 9 58.520 58.047 0.473 1
1 132 . 1 1 1 A 9 9 SER CB C 9 65.227 64.052 1.175 1
1 133 . 1 1 1 A 9 9 SER N N 9 115.543 116.294 -0.751 1
1 134 . 1 1 1 A 10 10 ARG H H 10 9.080 8.878 0.202 1
1 135 . 1 1 1 A 10 10 ARG HA H 10 4.037 4.043 -0.006 1
1 143 . 1 1 1 A 10 10 ARG C C 10 177.847 178.135 -0.288 1
1 144 . 1 1 1 A 10 10 ARG CA C 10 59.210 60.221 -1.011 1
1 145 . 1 1 1 A 10 10 ARG CB C 10 28.776 29.786 -1.010 1
1 148 . 1 1 1 A 10 10 ARG N N 10 123.688 124.742 -1.054 1
1 150 . 1 1 1 A 11 11 ALA H H 11 8.753 8.273 0.480 1
1 151 . 1 1 1 A 11 11 ALA HA H 11 4.248 4.107 0.141 1
1 155 . 1 1 1 A 11 11 ALA C C 11 181.848 180.109 1.739 1
1 156 . 1 1 1 A 11 11 ALA CA C 11 55.483 54.874 0.609 1
1 157 . 1 1 1 A 11 11 ALA CB C 11 18.209 18.517 -0.308 1
1 158 . 1 1 1 A 11 11 ALA N N 11 119.698 121.338 -1.640 1
1 159 . 1 1 1 A 12 12 GLU H H 12 7.957 7.659 0.298 1
1 160 . 1 1 1 A 12 12 GLU HA H 12 4.183 4.139 0.044 1
1 165 . 1 1 1 A 12 12 GLU C C 12 179.576 178.820 0.756 1
1 166 . 1 1 1 A 12 12 GLU CA C 12 59.103 58.928 0.175 1
1 167 . 1 1 1 A 12 12 GLU CB C 12 31.077 29.603 1.474 1
1 169 . 1 1 1 A 12 12 GLU N N 12 118.210 118.462 -0.252 1
1 170 . 1 1 1 A 13 13 TRP H H 13 8.585 8.061 0.524 1
1 171 . 1 1 1 A 13 13 TRP HA H 13 4.937 4.222 0.715 1
1 180 . 1 1 1 A 13 13 TRP C C 13 176.827 178.232 -1.405 1
1 181 . 1 1 1 A 13 13 TRP CA C 13 57.845 60.700 -2.855 1
1 182 . 1 1 1 A 13 13 TRP CB C 13 31.010 29.309 1.701 1
1 188 . 1 1 1 A 13 13 TRP N N 13 123.646 122.353 1.293 1
1 190 . 1 1 1 A 14 14 ASP H H 14 9.260 8.522 0.738 1
1 191 . 1 1 1 A 14 14 ASP HA H 14 4.048 4.040 0.008 1
1 194 . 1 1 1 A 14 14 ASP C C 14 180.120 178.353 1.767 1
1 195 . 1 1 1 A 14 14 ASP CA C 14 57.767 57.108 0.659 1
1 196 . 1 1 1 A 14 14 ASP CB C 14 39.467 39.933 -0.466 1
1 197 . 1 1 1 A 14 14 ASP N N 14 120.253 118.574 1.679 1
1 198 . 1 1 1 A 15 15 ALA H H 15 7.599 7.607 -0.008 1
1 199 . 1 1 1 A 15 15 ALA HA H 15 4.163 4.040 0.123 1
1 203 . 1 1 1 A 15 15 ALA C C 15 180.115 180.319 -0.204 1
1 204 . 1 1 1 A 15 15 ALA CA C 15 55.016 55.174 -0.158 1
1 205 . 1 1 1 A 15 15 ALA CB C 15 17.871 18.111 -0.240 1
1 206 . 1 1 1 A 15 15 ALA N N 15 122.164 123.189 -1.025 1
1 207 . 1 1 1 A 16 16 ALA H H 16 7.944 8.235 -0.291 1
1 208 . 1 1 1 A 16 16 ALA HA H 16 4.334 4.087 0.247 1
1 212 . 1 1 1 A 16 16 ALA C C 16 180.101 179.154 0.947 1
1 213 . 1 1 1 A 16 16 ALA CA C 16 54.659 55.037 -0.378 1
1 214 . 1 1 1 A 16 16 ALA CB C 16 19.107 18.800 0.307 1
1 215 . 1 1 1 A 16 16 ALA N N 16 122.526 119.718 2.808 1
1 216 . 1 1 1 A 17 17 LYS H H 17 8.317 7.862 0.455 1
1 217 . 1 1 1 A 17 17 LYS HA H 17 3.462 3.684 -0.222 1
1 226 . 1 1 1 A 17 17 LYS C C 17 179.126 178.401 0.725 1
1 227 . 1 1 1 A 17 17 LYS CA C 17 60.077 58.576 1.501 1
1 228 . 1 1 1 A 17 17 LYS CB C 17 31.431 31.664 -0.233 1
1 232 . 1 1 1 A 17 17 LYS N N 17 117.572 118.431 -0.859 1
1 233 . 1 1 1 A 18 18 ALA H H 18 7.296 7.889 -0.593 1
1 234 . 1 1 1 A 18 18 ALA HA H 18 4.100 4.021 0.079 1
1 238 . 1 1 1 A 18 18 ALA C C 18 178.940 179.691 -0.751 1
1 239 . 1 1 1 A 18 18 ALA CA C 18 54.513 54.998 -0.485 1
1 240 . 1 1 1 A 18 18 ALA CB C 18 18.132 18.146 -0.014 1
1 241 . 1 1 1 A 18 18 ALA N N 18 119.644 121.943 -2.299 1
1 242 . 1 1 1 A 19 19 GLN H H 19 7.443 7.635 -0.192 1
1 243 . 1 1 1 A 19 19 GLN HA H 19 4.535 4.245 0.290 1
1 250 . 1 1 1 A 19 19 GLN C C 19 176.607 176.515 0.092 1
1 251 . 1 1 1 A 19 19 GLN CA C 19 55.755 56.061 -0.306 1
1 252 . 1 1 1 A 19 19 GLN CB C 19 30.075 29.033 1.042 1
1 255 . 1 1 1 A 19 19 GLN N N 19 113.538 114.982 -1.444 1
1 257 . 1 1 1 A 20 20 GLY H H 20 8.277 9.074 -0.797 1
1 258 . 1 1 1 A 20 20 GLY HA2 H 20 4.450 3.845 0.605 1
1 259 . 1 1 1 A 20 20 GLY HA3 H 20 3.627 3.869 -0.242 1
1 260 . 1 1 1 A 20 20 GLY C C 20 174.006 173.456 0.550 1
1 261 . 1 1 1 A 20 20 GLY CA C 20 45.567 45.579 -0.012 1
1 262 . 1 1 1 A 20 20 GLY N N 20 108.233 108.638 -0.405 1
1 263 . 1 1 1 A 21 21 ARG H H 21 7.786 7.220 0.566 1
1 264 . 1 1 1 A 21 21 ARG HA H 21 5.123 4.996 0.127 1
1 272 . 1 1 1 A 21 21 ARG C C 21 171.553 174.357 -2.804 1
1 273 . 1 1 1 A 21 21 ARG CA C 21 54.882 53.979 0.903 1
1 274 . 1 1 1 A 21 21 ARG CB C 21 32.114 33.455 -1.341 1
1 277 . 1 1 1 A 21 21 ARG N N 21 116.837 115.789 1.048 1
1 279 . 1 1 1 A 22 22 PHE H H 22 9.821 9.168 0.653 1
1 280 . 1 1 1 A 22 22 PHE HA H 22 5.185 5.197 -0.012 1
1 285 . 1 1 1 A 22 22 PHE C C 22 173.825 174.977 -1.152 1
1 286 . 1 1 1 A 22 22 PHE CA C 22 54.913 56.080 -1.167 1
1 287 . 1 1 1 A 22 22 PHE CB C 22 41.568 41.479 0.089 1
1 290 . 1 1 1 A 22 22 PHE N N 22 121.680 123.475 -1.795 1
1 291 . 1 1 1 A 23 23 GLU H H 23 9.053 8.439 0.614 1
1 292 . 1 1 1 A 23 23 GLU HA H 23 3.893 4.305 -0.412 1
1 297 . 1 1 1 A 23 23 GLU C C 23 174.856 176.098 -1.242 1
1 298 . 1 1 1 A 23 23 GLU CA C 23 56.781 55.339 1.442 1
1 299 . 1 1 1 A 23 23 GLU CB C 23 29.990 30.143 -0.153 1
1 301 . 1 1 1 A 23 23 GLU N N 23 125.059 125.354 -0.295 1
1 302 . 1 1 1 A 24 24 GLY HA2 H 24 4.212 3.864 0.348 1
1 303 . 1 1 1 A 24 24 GLY HA3 H 24 3.112 3.890 -0.778 1
1 304 . 1 1 1 A 24 24 GLY C C 24 173.311 173.393 -0.082 1
1 305 . 1 1 1 A 24 24 GLY CA C 24 45.104 45.703 -0.599 1
1 306 . 1 1 1 A 25 25 SER H H 25 9.877 8.710 1.167 1
1 307 . 1 1 1 A 25 25 SER HA H 25 4.884 4.447 0.437 1
1 310 . 1 1 1 A 25 25 SER C C 25 173.788 175.635 -1.847 1
1 311 . 1 1 1 A 25 25 SER CA C 25 57.549 58.069 -0.520 1
1 312 . 1 1 1 A 25 25 SER CB C 25 65.383 63.650 1.733 1
1 313 . 1 1 1 A 25 25 SER N N 25 121.073 120.769 0.304 1
1 314 . 1 1 1 A 26 26 ALA H H 26 9.097 8.924 0.173 1
1 315 . 1 1 1 A 26 26 ALA HA H 26 3.964 3.897 0.067 1
1 319 . 1 1 1 A 26 26 ALA C C 26 181.102 179.858 1.244 1
1 320 . 1 1 1 A 26 26 ALA CA C 26 56.670 55.429 1.241 1
1 321 . 1 1 1 A 26 26 ALA CB C 26 17.927 18.259 -0.332 1
1 322 . 1 1 1 A 26 26 ALA N N 26 123.398 129.323 -5.925 1
1 323 . 1 1 1 A 27 27 VAL H H 27 7.928 7.407 0.521 1
1 324 . 1 1 1 A 27 27 VAL HA H 27 3.593 3.469 0.124 1
1 332 . 1 1 1 A 27 27 VAL C C 27 176.628 177.725 -1.097 1
1 333 . 1 1 1 A 27 27 VAL CA C 27 65.257 66.778 -1.521 1
1 334 . 1 1 1 A 27 27 VAL CB C 27 31.688 31.706 -0.018 1
1 337 . 1 1 1 A 27 27 VAL N N 27 117.697 118.157 -0.460 1
1 338 . 1 1 1 A 28 28 ASP H H 28 6.927 8.132 -1.205 1
1 339 . 1 1 1 A 28 28 ASP HA H 28 4.512 4.595 -0.083 1
1 342 . 1 1 1 A 28 28 ASP C C 28 178.402 178.991 -0.589 1
1 343 . 1 1 1 A 28 28 ASP CA C 28 56.586 57.073 -0.487 1
1 344 . 1 1 1 A 28 28 ASP CB C 28 41.317 40.624 0.693 1
1 345 . 1 1 1 A 28 28 ASP N N 28 121.516 120.317 1.199 1
1 346 . 1 1 1 A 29 29 LEU H H 29 8.309 8.200 0.109 1
1 347 . 1 1 1 A 29 29 LEU HA H 29 3.764 3.889 -0.125 1
1 357 . 1 1 1 A 29 29 LEU C C 29 180.093 179.489 0.604 1
1 358 . 1 1 1 A 29 29 LEU CA C 29 57.091 57.781 -0.690 1
1 359 . 1 1 1 A 29 29 LEU CB C 29 41.418 40.461 0.957 1
1 363 . 1 1 1 A 29 29 LEU N N 29 118.648 120.374 -1.726 1
1 364 . 1 1 1 A 30 30 ALA H H 30 7.458 8.414 -0.956 1
1 365 . 1 1 1 A 30 30 ALA HA H 30 4.000 3.958 0.042 1
1 369 . 1 1 1 A 30 30 ALA C C 30 179.371 178.997 0.374 1
1 370 . 1 1 1 A 30 30 ALA CA C 30 54.526 55.199 -0.673 1
1 371 . 1 1 1 A 30 30 ALA CB C 30 18.102 17.752 0.350 1
1 372 . 1 1 1 A 30 30 ALA N N 30 120.814 122.357 -1.543 1
1 373 . 1 1 1 A 31 31 ASP H H 31 7.682 7.582 0.100 1
1 374 . 1 1 1 A 31 31 ASP HA H 31 4.410 4.517 -0.107 1
1 377 . 1 1 1 A 31 31 ASP C C 31 176.610 176.567 0.043 1
1 378 . 1 1 1 A 31 31 ASP CA C 31 55.271 55.615 -0.344 1
1 379 . 1 1 1 A 31 31 ASP CB C 31 40.083 41.981 -1.898 1
1 380 . 1 1 1 A 31 31 ASP N N 31 117.191 117.322 -0.131 1
1 381 . 1 1 1 A 32 32 GLY H H 32 7.909 7.906 0.003 1
1 382 . 1 1 1 A 32 32 GLY HA2 H 32 4.090 4.068 0.022 1
1 383 . 1 1 1 A 32 32 GLY HA3 H 32 3.597 4.072 -0.475 1
1 384 . 1 1 1 A 32 32 GLY C C 32 173.168 174.105 -0.937 1
1 385 . 1 1 1 A 32 32 GLY CA C 32 45.112 45.434 -0.322 1
1 386 . 1 1 1 A 32 32 GLY N N 32 106.983 106.369 0.614 1
1 387 . 1 1 1 A 33 33 PHE H H 33 7.233 8.468 -1.235 1
1 388 . 1 1 1 A 33 33 PHE HA H 33 4.212 4.321 -0.109 1
1 396 . 1 1 1 A 33 33 PHE C C 33 171.389 174.581 -3.192 1
1 397 . 1 1 1 A 33 33 PHE CA C 33 55.383 59.919 -4.536 1
1 398 . 1 1 1 A 33 33 PHE CB C 33 37.177 37.575 -0.398 1
1 404 . 1 1 1 A 33 33 PHE N N 33 115.364 117.920 -2.556 1
1 405 . 1 1 1 A 34 34 ILE H H 34 8.637 8.320 0.317 1
1 406 . 1 1 1 A 34 34 ILE HA H 34 3.817 3.865 -0.048 1
1 416 . 1 1 1 A 34 34 ILE C C 34 177.018 175.755 1.263 1
1 417 . 1 1 1 A 34 34 ILE CA C 34 60.724 62.592 -1.868 1
1 418 . 1 1 1 A 34 34 ILE CB C 34 39.266 36.427 2.839 1
1 422 . 1 1 1 A 34 34 ILE N N 34 114.086 122.248 -8.162 1
1 423 . 1 1 1 A 35 35 HIS H H 35 9.203 8.064 1.139 1
1 424 . 1 1 1 A 35 35 HIS HA H 35 4.448 4.525 -0.077 1
1 428 . 1 1 1 A 35 35 HIS C C 35 175.740 174.685 1.055 1
1 429 . 1 1 1 A 35 35 HIS CA C 35 57.757 54.545 3.212 1
1 430 . 1 1 1 A 35 35 HIS CB C 35 29.758 29.943 -0.185 1
1 432 . 1 1 1 A 35 35 HIS N N 35 127.988 124.600 3.388 1
1 433 . 1 1 1 A 36 36 LEU H H 36 8.454 8.888 -0.434 1
1 434 . 1 1 1 A 36 36 LEU HA H 36 5.190 4.747 0.443 1
1 444 . 1 1 1 A 36 36 LEU C C 36 174.813 176.037 -1.224 1
1 445 . 1 1 1 A 36 36 LEU CA C 36 56.019 53.699 2.320 1
1 446 . 1 1 1 A 36 36 LEU CB C 36 44.541 43.078 1.463 1
1 450 . 1 1 1 A 36 36 LEU N N 36 126.075 126.622 -0.547 1
1 451 . 1 1 1 A 37 37 SER H H 37 9.128 8.830 0.298 1
1 452 . 1 1 1 A 37 37 SER HA H 37 5.277 5.225 0.052 1
1 455 . 1 1 1 A 37 37 SER C C 37 174.433 173.240 1.193 1
1 456 . 1 1 1 A 37 37 SER CA C 37 57.990 56.880 1.110 1
1 457 . 1 1 1 A 37 37 SER CB C 37 66.778 66.192 0.586 1
1 458 . 1 1 1 A 37 37 SER N N 37 112.795 113.520 -0.725 1
1 459 . 1 1 1 A 38 38 ALA H H 38 9.665 8.928 0.737 1
1 460 . 1 1 1 A 38 38 ALA HA H 38 4.973 4.536 0.437 1
1 464 . 1 1 1 A 38 38 ALA C C 38 179.640 179.228 0.412 1
1 465 . 1 1 1 A 38 38 ALA CA C 38 52.303 52.309 -0.006 1
1 466 . 1 1 1 A 38 38 ALA CB C 38 19.350 20.024 -0.674 1
1 467 . 1 1 1 A 38 38 ALA N N 38 127.103 125.242 1.861 1
1 468 . 1 1 1 A 39 39 GLY H H 39 10.159 8.588 1.571 1
1 469 . 1 1 1 A 39 39 GLY HA2 H 39 4.249 4.034 0.215 1
1 470 . 1 1 1 A 39 39 GLY HA3 H 39 3.720 4.058 -0.338 1
1 471 . 1 1 1 A 39 39 GLY C C 39 176.229 175.728 0.501 1
1 472 . 1 1 1 A 39 39 GLY CA C 39 49.163 47.705 1.458 1
1 473 . 1 1 1 A 39 39 GLY N N 39 112.007 108.063 3.944 1
1 474 . 1 1 1 A 40 40 GLU H H 40 9.367 8.141 1.226 1
1 475 . 1 1 1 A 40 40 GLU HA H 40 4.234 3.962 0.272 1
1 480 . 1 1 1 A 40 40 GLU C C 40 176.417 179.284 -2.867 1
1 481 . 1 1 1 A 40 40 GLU CA C 40 58.622 59.501 -0.879 1
1 482 . 1 1 1 A 40 40 GLU CB C 40 28.796 29.630 -0.834 1
1 484 . 1 1 1 A 40 40 GLU N N 40 117.243 121.237 -3.994 1
1 485 . 1 1 1 A 41 41 GLN H H 41 7.503 8.253 -0.750 1
1 486 . 1 1 1 A 41 41 GLN HA H 41 4.752 4.163 0.589 1
1 493 . 1 1 1 A 41 41 GLN C C 41 177.730 178.800 -1.070 1
1 494 . 1 1 1 A 41 41 GLN CA C 41 55.626 58.834 -3.208 1
1 495 . 1 1 1 A 41 41 GLN CB C 41 30.653 28.569 2.084 1
1 498 . 1 1 1 A 41 41 GLN N N 41 115.837 119.365 -3.528 1
1 500 . 1 1 1 A 42 42 ALA H H 42 7.519 8.603 -1.084 1
1 501 . 1 1 1 A 42 42 ALA HA H 42 3.927 4.114 -0.187 1
1 505 . 1 1 1 A 42 42 ALA C C 42 177.826 178.778 -0.952 1
1 506 . 1 1 1 A 42 42 ALA CA C 42 56.706 55.480 1.226 1
1 507 . 1 1 1 A 42 42 ALA CB C 42 18.247 18.280 -0.033 1
1 508 . 1 1 1 A 42 42 ALA N N 42 123.105 122.661 0.444 1
1 509 . 1 1 1 A 43 43 GLN H H 43 9.203 8.013 1.190 1
1 510 . 1 1 1 A 43 43 GLN HA H 43 3.942 3.934 0.008 1
1 517 . 1 1 1 A 43 43 GLN C C 43 177.913 178.097 -0.184 1
1 518 . 1 1 1 A 43 43 GLN CA C 43 58.678 59.016 -0.338 1
1 519 . 1 1 1 A 43 43 GLN CB C 43 28.815 28.081 0.734 1
1 522 . 1 1 1 A 43 43 GLN N N 43 118.650 117.811 0.839 1
1 524 . 1 1 1 A 44 44 GLU H H 44 8.611 7.987 0.624 1
1 525 . 1 1 1 A 44 44 GLU HA H 44 4.207 4.126 0.081 1
1 530 . 1 1 1 A 44 44 GLU C C 44 179.090 179.583 -0.493 1
1 531 . 1 1 1 A 44 44 GLU CA C 44 59.246 59.277 -0.031 1
1 532 . 1 1 1 A 44 44 GLU CB C 44 28.850 29.085 -0.235 1
1 534 . 1 1 1 A 44 44 GLU N N 44 122.042 119.317 2.725 1
1 535 . 1 1 1 A 45 45 THR H H 45 8.292 8.504 -0.212 1
1 536 . 1 1 1 A 45 45 THR HA H 45 4.123 4.103 0.020 1
1 541 . 1 1 1 A 45 45 THR C C 45 176.228 176.498 -0.270 1
1 542 . 1 1 1 A 45 45 THR CA C 45 66.902 66.389 0.513 1
1 543 . 1 1 1 A 45 45 THR CB C 45 68.949 68.457 0.492 1
1 545 . 1 1 1 A 45 45 THR N N 45 117.583 116.285 1.298 1
1 546 . 1 1 1 A 46 46 ALA H H 46 8.275 8.920 -0.645 1
1 547 . 1 1 1 A 46 46 ALA HA H 46 4.255 4.367 -0.112 1
1 551 . 1 1 1 A 46 46 ALA C C 46 178.630 179.668 -1.038 1
1 552 . 1 1 1 A 46 46 ALA CA C 46 55.406 55.697 -0.291 1
1 553 . 1 1 1 A 46 46 ALA CB C 46 18.482 18.085 0.397 1
1 554 . 1 1 1 A 46 46 ALA N N 46 123.184 124.229 -1.045 1
1 555 . 1 1 1 A 47 47 ALA H H 47 8.066 8.037 0.029 1
1 556 . 1 1 1 A 47 47 ALA HA H 47 3.953 4.084 -0.131 1
1 560 . 1 1 1 A 47 47 ALA C C 47 178.552 180.400 -1.848 1
1 561 . 1 1 1 A 47 47 ALA CA C 47 55.030 55.163 -0.133 1
1 562 . 1 1 1 A 47 47 ALA CB C 47 18.899 18.449 0.450 1
1 563 . 1 1 1 A 47 47 ALA N N 47 117.129 120.459 -3.330 1
1 564 . 1 1 1 A 48 48 LYS H H 48 8.089 7.658 0.431 1
1 565 . 1 1 1 A 48 48 LYS HA H 48 3.936 3.969 -0.033 1
1 574 . 1 1 1 A 48 48 LYS C C 48 179.130 178.096 1.034 1
1 575 . 1 1 1 A 48 48 LYS CA C 48 58.560 58.498 0.062 1
1 576 . 1 1 1 A 48 48 LYS CB C 48 33.122 32.856 0.266 1
1 580 . 1 1 1 A 48 48 LYS N N 48 115.322 117.164 -1.842 1
1 581 . 1 1 1 A 49 49 TRP H H 49 7.978 7.985 -0.007 1
1 582 . 1 1 1 A 49 49 TRP HA H 49 4.807 4.597 0.210 1
1 591 . 1 1 1 A 49 49 TRP C C 49 176.923 177.421 -0.498 1
1 592 . 1 1 1 A 49 49 TRP CA C 49 57.157 58.653 -1.496 1
1 593 . 1 1 1 A 49 49 TRP CB C 49 31.461 30.626 0.835 1
1 599 . 1 1 1 A 49 49 TRP N N 49 114.492 116.677 -2.185 1
1 601 . 1 1 1 A 50 50 PHE H H 50 7.740 7.482 0.258 1
1 602 . 1 1 1 A 50 50 PHE HA H 50 4.925 4.580 0.345 1
1 608 . 1 1 1 A 50 50 PHE C C 50 174.160 175.497 -1.337 1
1 609 . 1 1 1 A 50 50 PHE CA C 50 57.772 58.971 -1.199 1
1 610 . 1 1 1 A 50 50 PHE CB C 50 39.610 38.600 1.010 1
1 614 . 1 1 1 A 50 50 PHE N N 50 116.540 116.446 0.094 1
1 615 . 1 1 1 A 51 51 ARG H H 51 7.389 7.559 -0.170 1
1 616 . 1 1 1 A 51 51 ARG HA H 51 4.198 4.272 -0.074 1
1 624 . 1 1 1 A 51 51 ARG C C 51 179.130 176.604 2.526 1
1 625 . 1 1 1 A 51 51 ARG CA C 51 58.224 56.430 1.794 1
1 626 . 1 1 1 A 51 51 ARG CB C 51 30.032 30.424 -0.392 1
1 629 . 1 1 1 A 51 51 ARG N N 51 119.136 118.703 0.433 1
1 631 . 1 1 1 A 52 52 GLY H H 52 10.264 8.984 1.280 1
1 632 . 1 1 1 A 52 52 GLY HA2 H 52 4.180 3.995 0.185 1
1 633 . 1 1 1 A 52 52 GLY HA3 H 52 3.745 3.996 -0.251 1
1 634 . 1 1 1 A 52 52 GLY C C 52 173.980 173.985 -0.005 1
1 635 . 1 1 1 A 52 52 GLY CA C 52 45.517 45.058 0.459 1
1 636 . 1 1 1 A 52 52 GLY N N 52 114.192 111.312 2.880 1
1 637 . 1 1 1 A 53 53 GLN H H 53 7.597 7.491 0.106 1
1 638 . 1 1 1 A 53 53 GLN HA H 53 4.437 4.435 0.002 1
1 645 . 1 1 1 A 53 53 GLN C C 53 172.934 175.262 -2.328 1
1 646 . 1 1 1 A 53 53 GLN CA C 53 56.280 54.664 1.616 1
1 647 . 1 1 1 A 53 53 GLN CB C 53 29.123 27.803 1.320 1
1 650 . 1 1 1 A 53 53 GLN N N 53 120.438 120.645 -0.207 1
1 652 . 1 1 1 A 54 54 ALA H H 54 8.190 8.678 -0.488 1
1 653 . 1 1 1 A 54 54 ALA HA H 54 4.344 4.466 -0.122 1
1 657 . 1 1 1 A 54 54 ALA C C 54 177.278 177.502 -0.224 1
1 658 . 1 1 1 A 54 54 ALA CA C 54 51.377 51.588 -0.211 1
1 659 . 1 1 1 A 54 54 ALA CB C 54 20.525 17.718 2.807 1
1 660 . 1 1 1 A 54 54 ALA N N 54 124.528 128.967 -4.439 1
1 661 . 1 1 1 A 55 55 ASN H H 55 8.903 8.108 0.795 1
1 662 . 1 1 1 A 55 55 ASN HA H 55 4.598 5.011 -0.413 1
1 667 . 1 1 1 A 55 55 ASN C C 55 174.075 175.055 -0.980 1
1 668 . 1 1 1 A 55 55 ASN CA C 55 53.986 52.274 1.712 1
1 669 . 1 1 1 A 55 55 ASN CB C 55 37.654 38.687 -1.033 1
1 671 . 1 1 1 A 55 55 ASN N N 55 113.776 115.418 -1.642 1
1 673 . 1 1 1 A 56 56 LEU H H 56 8.543 7.004 1.539 1
1 674 . 1 1 1 A 56 56 LEU HA H 56 4.677 4.672 0.005 1
1 684 . 1 1 1 A 56 56 LEU C C 56 176.806 176.083 0.723 1
1 685 . 1 1 1 A 56 56 LEU CA C 56 54.383 53.814 0.569 1
1 686 . 1 1 1 A 56 56 LEU CB C 56 45.328 43.997 1.331 1
1 690 . 1 1 1 A 56 56 LEU N N 56 117.411 122.559 -5.148 1
1 691 . 1 1 1 A 57 57 VAL H H 57 9.207 8.846 0.361 1
1 692 . 1 1 1 A 57 57 VAL HA H 57 4.633 4.728 -0.095 1
1 700 . 1 1 1 A 57 57 VAL C C 57 172.465 173.990 -1.525 1
1 701 . 1 1 1 A 57 57 VAL CA C 57 59.970 60.303 -0.333 1
1 702 . 1 1 1 A 57 57 VAL CB C 57 35.376 34.531 0.845 1
1 705 . 1 1 1 A 57 57 VAL N N 57 121.448 121.821 -0.373 1
1 706 . 1 1 1 A 58 58 LEU H H 58 8.855 9.009 -0.154 1
1 707 . 1 1 1 A 58 58 LEU HA H 58 4.763 4.725 0.038 1
1 717 . 1 1 1 A 58 58 LEU C C 58 175.349 174.521 0.828 1
1 718 . 1 1 1 A 58 58 LEU CA C 58 52.286 53.560 -1.274 1
1 719 . 1 1 1 A 58 58 LEU CB C 58 46.390 43.758 2.632 1
1 723 . 1 1 1 A 58 58 LEU N N 58 124.476 129.773 -5.297 1
1 724 . 1 1 1 A 59 59 LEU H H 59 9.265 8.915 0.350 1
1 725 . 1 1 1 A 59 59 LEU HA H 59 4.714 4.459 0.255 1
1 735 . 1 1 1 A 59 59 LEU C C 59 175.262 175.648 -0.386 1
1 736 . 1 1 1 A 59 59 LEU CA C 59 52.753 53.851 -1.098 1
1 737 . 1 1 1 A 59 59 LEU CB C 59 42.431 41.346 1.085 1
1 741 . 1 1 1 A 59 59 LEU N N 59 125.973 128.561 -2.588 1
1 742 . 1 1 1 A 60 60 ALA H H 60 8.331 9.111 -0.780 1
1 743 . 1 1 1 A 60 60 ALA HA H 60 4.739 5.098 -0.359 1
1 747 . 1 1 1 A 60 60 ALA C C 60 175.631 176.263 -0.632 1
1 748 . 1 1 1 A 60 60 ALA CA C 60 50.320 50.348 -0.028 1
1 749 . 1 1 1 A 60 60 ALA CB C 60 21.744 20.664 1.080 1
1 750 . 1 1 1 A 60 60 ALA N N 60 124.617 128.613 -3.996 1
1 751 . 1 1 1 A 61 61 VAL H H 61 8.944 8.771 0.173 1
1 752 . 1 1 1 A 61 61 VAL HA H 61 4.244 4.567 -0.323 1
1 760 . 1 1 1 A 61 61 VAL C C 61 174.674 175.272 -0.598 1
1 761 . 1 1 1 A 61 61 VAL CA C 61 60.770 60.616 0.154 1
1 762 . 1 1 1 A 61 61 VAL CB C 61 36.636 34.911 1.725 1
1 765 . 1 1 1 A 61 61 VAL N N 61 124.079 123.197 0.882 1
1 766 . 1 1 1 A 62 62 GLU H H 62 8.490 8.578 -0.088 1
1 767 . 1 1 1 A 62 62 GLU HA H 62 4.551 4.443 0.108 1
1 772 . 1 1 1 A 62 62 GLU C C 62 177.700 176.082 1.618 1
1 773 . 1 1 1 A 62 62 GLU CA C 62 56.879 55.306 1.573 1
1 774 . 1 1 1 A 62 62 GLU CB C 62 29.372 27.541 1.831 1
1 776 . 1 1 1 A 62 62 GLU N N 62 127.752 127.659 0.093 1
1 777 . 1 1 1 A 63 63 ALA H H 63 9.173 8.499 0.674 1
1 778 . 1 1 1 A 63 63 ALA HA H 63 3.991 3.944 0.047 1
1 782 . 1 1 1 A 63 63 ALA C C 63 180.311 177.707 2.604 1
1 783 . 1 1 1 A 63 63 ALA CA C 63 54.850 54.418 0.432 1
1 784 . 1 1 1 A 63 63 ALA CB C 63 19.495 18.680 0.815 1
1 785 . 1 1 1 A 63 63 ALA N N 63 127.466 119.829 7.637 1
1 786 . 1 1 1 A 64 64 GLU H H 64 9.571 7.950 1.621 1
1 787 . 1 1 1 A 64 64 GLU HA H 64 4.146 4.427 -0.281 1
1 792 . 1 1 1 A 64 64 GLU C C 64 177.102 176.695 0.407 1
1 793 . 1 1 1 A 64 64 GLU CA C 64 63.532 57.478 6.054 1
1 794 . 1 1 1 A 64 64 GLU CB C 64 25.742 28.680 -2.938 1
1 796 . 1 1 1 A 64 64 GLU N N 64 120.368 113.487 6.881 1
1 797 . 1 1 1 A 65 65 PRO HA H 65 4.440 4.546 -0.106 1
1 804 . 1 1 1 A 65 65 PRO C C 65 177.332 176.534 0.798 1
1 805 . 1 1 1 A 65 65 PRO CA C 65 64.973 63.692 1.281 1
1 806 . 1 1 1 A 65 65 PRO CB C 65 31.341 31.592 -0.251 1
1 809 . 1 1 1 A 66 66 LEU H H 66 7.412 8.208 -0.796 1
1 810 . 1 1 1 A 66 66 LEU HA H 66 4.023 4.422 -0.399 1
1 820 . 1 1 1 A 66 66 LEU C C 66 178.533 177.929 0.604 1
1 821 . 1 1 1 A 66 66 LEU CA C 66 55.861 54.086 1.775 1
1 822 . 1 1 1 A 66 66 LEU CB C 66 41.349 41.555 -0.206 1
1 826 . 1 1 1 A 66 66 LEU N N 66 114.991 118.182 -3.191 1
1 827 . 1 1 1 A 67 67 GLY H H 67 7.733 8.258 -0.525 1
1 828 . 1 1 1 A 67 67 GLY HA2 H 67 4.018 3.952 0.066 1
1 829 . 1 1 1 A 67 67 GLY HA3 H 67 3.909 3.976 -0.067 1
1 830 . 1 1 1 A 67 67 GLY C C 67 175.925 176.246 -0.321 1
1 831 . 1 1 1 A 67 67 GLY CA C 67 46.054 46.703 -0.649 1
1 832 . 1 1 1 A 67 67 GLY N N 67 104.242 109.399 -5.157 1
1 833 . 1 1 1 A 68 68 GLU H H 68 8.887 8.989 -0.102 1
1 834 . 1 1 1 A 68 68 GLU HA H 68 4.219 4.005 0.214 1
1 839 . 1 1 1 A 68 68 GLU C C 68 176.314 177.861 -1.547 1
1 840 . 1 1 1 A 68 68 GLU CA C 68 57.652 59.310 -1.658 1
1 841 . 1 1 1 A 68 68 GLU CB C 68 29.306 28.959 0.347 1
1 843 . 1 1 1 A 68 68 GLU N N 68 121.253 119.373 1.880 1
1 844 . 1 1 1 A 69 69 ASP H H 69 7.630 7.847 -0.217 1
1 845 . 1 1 1 A 69 69 ASP HA H 69 4.587 4.816 -0.229 1
1 848 . 1 1 1 A 69 69 ASP C C 69 174.665 176.423 -1.758 1
1 849 . 1 1 1 A 69 69 ASP CA C 69 56.078 55.151 0.927 1
1 850 . 1 1 1 A 69 69 ASP CB C 69 41.572 42.487 -0.915 1
1 851 . 1 1 1 A 69 69 ASP N N 69 116.486 117.406 -0.920 1
1 852 . 1 1 1 A 70 70 LEU H H 70 7.433 7.655 -0.222 1
1 853 . 1 1 1 A 70 70 LEU HA H 70 4.854 4.928 -0.074 1
1 863 . 1 1 1 A 70 70 LEU C C 70 174.259 175.123 -0.864 1
1 864 . 1 1 1 A 70 70 LEU CA C 70 53.281 53.834 -0.553 1
1 865 . 1 1 1 A 70 70 LEU CB C 70 43.024 44.167 -1.143 1
1 869 . 1 1 1 A 70 70 LEU N N 70 121.585 120.981 0.604 1
1 870 . 1 1 1 A 71 71 LYS H H 71 9.114 9.125 -0.011 1
1 871 . 1 1 1 A 71 71 LYS HA H 71 4.724 4.990 -0.266 1
1 880 . 1 1 1 A 71 71 LYS C C 71 175.146 176.037 -0.891 1
1 881 . 1 1 1 A 71 71 LYS CA C 71 54.024 54.909 -0.885 1
1 882 . 1 1 1 A 71 71 LYS CB C 71 35.469 35.035 0.434 1
1 886 . 1 1 1 A 71 71 LYS N N 71 126.179 126.875 -0.696 1
1 887 . 1 1 1 A 72 72 TRP H H 72 8.981 9.107 -0.126 1
1 888 . 1 1 1 A 72 72 TRP HA H 72 4.720 4.886 -0.166 1
1 897 . 1 1 1 A 72 72 TRP C C 72 176.394 175.713 0.681 1
1 898 . 1 1 1 A 72 72 TRP CA C 72 55.876 56.586 -0.710 1
1 899 . 1 1 1 A 72 72 TRP CB C 72 27.789 27.769 0.020 1
1 905 . 1 1 1 A 72 72 TRP N N 72 125.904 125.889 0.015 1
1 907 . 1 1 1 A 73 73 GLU H H 73 8.558 8.866 -0.308 1
1 908 . 1 1 1 A 73 73 GLU HA H 73 4.762 4.988 -0.226 1
1 913 . 1 1 1 A 73 73 GLU C C 73 175.459 176.239 -0.780 1
1 914 . 1 1 1 A 73 73 GLU CA C 73 55.208 55.371 -0.163 1
1 915 . 1 1 1 A 73 73 GLU CB C 73 32.615 31.844 0.771 1
1 917 . 1 1 1 A 73 73 GLU N N 73 123.290 126.168 -2.878 1
1 918 . 1 1 1 A 74 74 ALA H H 74 8.962 8.690 0.272 1
1 919 . 1 1 1 A 74 74 ALA HA H 74 4.738 5.023 -0.285 1
1 923 . 1 1 1 A 74 74 ALA C C 74 177.803 176.971 0.832 1
1 924 . 1 1 1 A 74 74 ALA CA C 74 52.246 51.965 0.281 1
1 925 . 1 1 1 A 74 74 ALA CB C 74 20.070 18.712 1.358 1
1 926 . 1 1 1 A 74 74 ALA N N 74 127.315 128.261 -0.946 1
1 927 . 1 1 1 A 75 75 SER H H 75 8.762 8.766 -0.004 1
1 928 . 1 1 1 A 75 75 SER HA H 75 4.850 4.583 0.267 1
1 931 . 1 1 1 A 75 75 SER C C 75 176.080 175.344 0.736 1
1 932 . 1 1 1 A 75 75 SER CA C 75 56.954 58.297 -1.343 1
1 933 . 1 1 1 A 75 75 SER CB C 75 65.244 63.870 1.374 1
1 934 . 1 1 1 A 75 75 SER N N 75 117.745 119.553 -1.808 1
1 935 . 1 1 1 A 76 76 ARG HA H 76 4.193 4.042 0.151 1
1 943 . 1 1 1 A 76 76 ARG CA C 76 58.895 57.258 1.637 1
1 944 . 1 1 1 A 76 76 ARG CB C 76 29.877 28.108 1.769 1
1 947 . 1 1 1 A 77 77 GLY C C 77 175.277 173.917 1.360 1
1 948 . 1 1 1 A 78 78 GLY H H 78 8.045 7.985 0.060 1
1 949 . 1 1 1 A 78 78 GLY HA2 H 78 4.390 4.125 0.265 1
1 950 . 1 1 1 A 78 78 GLY HA3 H 78 3.786 4.149 -0.363 1
1 951 . 1 1 1 A 78 78 GLY C C 78 173.503 173.076 0.427 1
1 952 . 1 1 1 A 78 78 GLY CA C 78 45.296 45.702 -0.406 1
1 953 . 1 1 1 A 78 78 GLY N N 78 110.323 106.351 3.972 1
1 954 . 1 1 1 A 79 79 ALA H H 79 7.879 8.219 -0.340 1
1 955 . 1 1 1 A 79 79 ALA HA H 79 4.357 4.333 0.024 1
1 959 . 1 1 1 A 79 79 ALA C C 79 176.674 177.065 -0.391 1
1 960 . 1 1 1 A 79 79 ALA CA C 79 52.151 51.866 0.285 1
1 961 . 1 1 1 A 79 79 ALA CB C 79 20.171 19.140 1.031 1
1 962 . 1 1 1 A 79 79 ALA N N 79 123.865 124.725 -0.860 1
1 963 . 1 1 1 A 80 80 ARG H H 80 8.375 8.334 0.041 1
1 964 . 1 1 1 A 80 80 ARG HA H 80 4.629 4.659 -0.030 1
1 972 . 1 1 1 A 80 80 ARG C C 80 175.713 174.723 0.990 1
1 973 . 1 1 1 A 80 80 ARG CA C 80 55.622 55.405 0.217 1
1 974 . 1 1 1 A 80 80 ARG CB C 80 32.074 30.420 1.654 1
1 977 . 1 1 1 A 80 80 ARG N N 80 119.145 121.857 -2.712 1
1 979 . 1 1 1 A 81 81 PHE H H 81 8.722 8.961 -0.239 1
1 980 . 1 1 1 A 81 81 PHE HA H 81 5.156 4.815 0.341 1
1 988 . 1 1 1 A 81 81 PHE C C 81 172.806 174.253 -1.447 1
1 989 . 1 1 1 A 81 81 PHE CA C 81 54.950 56.213 -1.263 1
1 990 . 1 1 1 A 81 81 PHE CB C 81 42.240 40.066 2.174 1
1 996 . 1 1 1 A 81 81 PHE N N 81 123.774 125.153 -1.379 1
1 997 . 1 1 1 A 82 82 PRO HA H 82 3.635 4.650 -1.015 1
1 1004 . 1 1 1 A 82 82 PRO C C 82 174.511 175.752 -1.241 1
1 1005 . 1 1 1 A 82 82 PRO CA C 82 61.347 62.438 -1.091 1
1 1006 . 1 1 1 A 82 82 PRO CB C 82 29.495 30.653 -1.158 1
1 1009 . 1 1 1 A 83 83 HIS H H 83 8.831 9.072 -0.241 1
1 1010 . 1 1 1 A 83 83 HIS HA H 83 5.330 5.077 0.253 1
1 1014 . 1 1 1 A 83 83 HIS C C 83 172.952 174.285 -1.333 1
1 1015 . 1 1 1 A 83 83 HIS CA C 83 50.700 55.431 -4.731 1
1 1016 . 1 1 1 A 83 83 HIS CB C 83 33.238 31.458 1.780 1
1 1018 . 1 1 1 A 83 83 HIS N N 83 124.483 123.133 1.350 1
1 1019 . 1 1 1 A 84 84 LEU H H 84 9.063 8.936 0.127 1
1 1020 . 1 1 1 A 84 84 LEU HA H 84 5.163 4.902 0.261 1
1 1030 . 1 1 1 A 84 84 LEU C C 84 176.699 176.734 -0.035 1
1 1031 . 1 1 1 A 84 84 LEU CA C 84 53.829 53.745 0.084 1
1 1032 . 1 1 1 A 84 84 LEU CB C 84 45.366 42.559 2.807 1
1 1036 . 1 1 1 A 84 84 LEU N N 84 125.218 125.931 -0.713 1
1 1037 . 1 1 1 A 85 85 TYR H H 85 9.058 9.160 -0.102 1
1 1038 . 1 1 1 A 85 85 TYR HA H 85 4.508 4.328 0.180 1
1 1045 . 1 1 1 A 85 85 TYR C C 85 173.624 175.362 -1.738 1
1 1046 . 1 1 1 A 85 85 TYR CA C 85 60.034 57.914 2.120 1
1 1047 . 1 1 1 A 85 85 TYR CB C 85 36.073 37.938 -1.865 1
1 1052 . 1 1 1 A 85 85 TYR N N 85 131.339 126.814 4.525 1
1 1053 . 1 1 1 A 86 86 ARG H H 86 7.432 7.669 -0.237 1
1 1054 . 1 1 1 A 86 86 ARG HA H 86 4.682 5.017 -0.335 1
1 1062 . 1 1 1 A 86 86 ARG C C 86 171.917 173.835 -1.918 1
1 1063 . 1 1 1 A 86 86 ARG CA C 86 54.953 53.824 1.129 1
1 1064 . 1 1 1 A 86 86 ARG CB C 86 28.209 33.043 -4.834 1
1 1067 . 1 1 1 A 86 86 ARG N N 86 114.399 117.879 -3.480 1
1 1069 . 1 1 1 A 87 87 PRO HA H 87 4.303 4.506 -0.203 1
1 1076 . 1 1 1 A 87 87 PRO C C 87 175.771 175.903 -0.132 1
1 1077 . 1 1 1 A 87 87 PRO CA C 87 63.497 63.267 0.230 1
1 1078 . 1 1 1 A 87 87 PRO CB C 87 32.253 32.084 0.169 1
1 1081 . 1 1 1 A 88 88 LEU H H 88 8.095 8.571 -0.476 1
1 1082 . 1 1 1 A 88 88 LEU HA H 88 4.286 4.805 -0.519 1
1 1092 . 1 1 1 A 88 88 LEU C C 88 175.946 175.420 0.526 1
1 1093 . 1 1 1 A 88 88 LEU CA C 88 53.675 54.052 -0.377 1
1 1094 . 1 1 1 A 88 88 LEU CB C 88 45.548 43.376 2.172 1
1 1098 . 1 1 1 A 88 88 LEU N N 88 125.942 122.996 2.946 1
1 1099 . 1 1 1 A 89 89 LEU H H 89 9.224 8.618 0.606 1
1 1100 . 1 1 1 A 89 89 LEU HA H 89 4.561 4.349 0.212 1
1 1110 . 1 1 1 A 89 89 LEU C C 89 179.295 177.718 1.577 1
1 1111 . 1 1 1 A 89 89 LEU CA C 89 55.212 55.357 -0.145 1
1 1112 . 1 1 1 A 89 89 LEU CB C 89 41.460 41.802 -0.342 1
1 1116 . 1 1 1 A 89 89 LEU N N 89 128.295 128.311 -0.016 1
1 1117 . 1 1 1 A 90 90 VAL H H 90 7.665 8.695 -1.030 1
1 1118 . 1 1 1 A 90 90 VAL HA H 90 3.785 3.856 -0.071 1
1 1126 . 1 1 1 A 90 90 VAL C C 90 178.510 177.706 0.804 1
1 1127 . 1 1 1 A 90 90 VAL CA C 90 66.833 66.374 0.459 1
1 1128 . 1 1 1 A 90 90 VAL CB C 90 31.330 31.665 -0.335 1
1 1131 . 1 1 1 A 90 90 VAL N N 90 122.696 122.873 -0.177 1
1 1132 . 1 1 1 A 91 91 SER H H 91 8.134 8.109 0.025 1
1 1133 . 1 1 1 A 91 91 SER HA H 91 4.280 4.307 -0.027 1
1 1136 . 1 1 1 A 91 91 SER C C 91 175.328 175.811 -0.483 1
1 1137 . 1 1 1 A 91 91 SER CA C 91 59.822 61.014 -1.192 1
1 1138 . 1 1 1 A 91 91 SER CB C 91 62.512 63.170 -0.658 1
1 1139 . 1 1 1 A 91 91 SER N N 91 112.443 116.261 -3.818 1
1 1140 . 1 1 1 A 92 92 GLU H H 92 7.598 8.160 -0.562 1
1 1141 . 1 1 1 A 92 92 GLU HA H 92 4.221 4.195 0.026 1
1 1146 . 1 1 1 A 92 92 GLU C C 92 175.722 177.039 -1.317 1
1 1147 . 1 1 1 A 92 92 GLU CA C 92 56.594 58.474 -1.880 1
1 1148 . 1 1 1 A 92 92 GLU CB C 92 29.511 29.702 -0.191 1
1 1150 . 1 1 1 A 92 92 GLU N N 92 120.359 121.012 -0.653 1
1 1151 . 1 1 1 A 93 93 VAL H H 93 7.486 7.303 0.183 1
1 1152 . 1 1 1 A 93 93 VAL HA H 93 4.046 4.008 0.038 1
1 1160 . 1 1 1 A 93 93 VAL C C 93 176.093 175.804 0.289 1
1 1161 . 1 1 1 A 93 93 VAL CA C 93 63.242 63.409 -0.167 1
1 1162 . 1 1 1 A 93 93 VAL CB C 93 32.306 31.873 0.433 1
1 1165 . 1 1 1 A 93 93 VAL N N 93 121.222 119.363 1.859 1
1 1166 . 1 1 1 A 94 94 THR H H 94 9.003 8.489 0.514 1
1 1167 . 1 1 1 A 94 94 THR HA H 94 4.264 4.178 0.086 1
1 1172 . 1 1 1 A 94 94 THR C C 94 174.664 174.580 0.084 1
1 1173 . 1 1 1 A 94 94 THR CA C 94 64.438 64.504 -0.066 1
1 1174 . 1 1 1 A 94 94 THR CB C 94 69.317 69.299 0.018 1
1 1176 . 1 1 1 A 94 94 THR N N 94 124.794 121.139 3.655 1
1 1177 . 1 1 1 A 95 95 ARG H H 95 7.514 7.410 0.104 1
1 1178 . 1 1 1 A 95 95 ARG HA H 95 4.646 4.843 -0.197 1
1 1186 . 1 1 1 A 95 95 ARG C C 95 172.989 174.547 -1.558 1
1 1187 . 1 1 1 A 95 95 ARG CA C 95 55.872 54.690 1.182 1
1 1188 . 1 1 1 A 95 95 ARG CB C 95 33.789 35.049 -1.260 1
1 1191 . 1 1 1 A 95 95 ARG N N 95 118.660 118.789 -0.129 1
1 1193 . 1 1 1 A 96 96 GLU H H 96 8.545 8.684 -0.139 1
1 1194 . 1 1 1 A 96 96 GLU HA H 96 5.329 5.096 0.233 1
1 1199 . 1 1 1 A 96 96 GLU C C 96 174.480 175.129 -0.649 1
1 1200 . 1 1 1 A 96 96 GLU CA C 96 53.415 54.471 -1.056 1
1 1201 . 1 1 1 A 96 96 GLU CB C 96 33.592 32.964 0.628 1
1 1203 . 1 1 1 A 96 96 GLU N N 96 121.828 118.015 3.813 1
1 1204 . 1 1 1 A 97 97 ALA H H 97 8.276 8.124 0.152 1
1 1205 . 1 1 1 A 97 97 ALA HA H 97 4.537 4.885 -0.348 1
1 1209 . 1 1 1 A 97 97 ALA C C 97 175.233 176.045 -0.812 1
1 1210 . 1 1 1 A 97 97 ALA CA C 97 51.368 51.432 -0.064 1
1 1211 . 1 1 1 A 97 97 ALA CB C 97 22.101 20.828 1.273 1
1 1212 . 1 1 1 A 97 97 ALA N N 97 123.211 121.301 1.910 1
1 1213 . 1 1 1 A 98 98 ASP H H 98 8.399 8.782 -0.383 1
1 1214 . 1 1 1 A 98 98 ASP HA H 98 4.850 4.606 0.244 1
1 1217 . 1 1 1 A 98 98 ASP C C 98 176.085 175.355 0.730 1
1 1218 . 1 1 1 A 98 98 ASP CA C 98 54.824 54.735 0.089 1
1 1219 . 1 1 1 A 98 98 ASP CB C 98 41.694 40.993 0.701 1
1 1220 . 1 1 1 A 98 98 ASP N N 98 122.093 123.939 -1.846 1
1 1221 . 1 1 1 A 99 99 LEU H H 99 7.854 8.948 -1.094 1
1 1222 . 1 1 1 A 99 99 LEU HA H 99 4.766 5.159 -0.393 1
1 1232 . 1 1 1 A 99 99 LEU C C 99 176.250 174.493 1.757 1
1 1233 . 1 1 1 A 99 99 LEU CA C 99 53.544 53.208 0.336 1
1 1234 . 1 1 1 A 99 99 LEU CB C 99 44.229 44.859 -0.630 1
1 1238 . 1 1 1 A 99 99 LEU N N 99 120.272 127.357 -7.085 1
1 1239 . 1 1 1 A 100 100 ASP H H 100 9.215 8.782 0.433 1
1 1240 . 1 1 1 A 100 100 ASP HA H 100 4.935 5.215 -0.280 1
1 1243 . 1 1 1 A 100 100 ASP C C 100 174.956 174.896 0.060 1
1 1244 . 1 1 1 A 100 100 ASP CA C 100 52.684 52.188 0.496 1
1 1245 . 1 1 1 A 100 100 ASP CB C 100 43.362 44.899 -1.537 1
1 1246 . 1 1 1 A 100 100 ASP N N 100 123.325 126.395 -3.070 1
1 1247 . 1 1 1 A 101 101 LEU H H 101 8.526 8.613 -0.087 1
1 1248 . 1 1 1 A 101 101 LEU HA H 101 4.639 4.950 -0.311 1
1 1258 . 1 1 1 A 101 101 LEU C C 101 178.204 176.271 1.933 1
1 1259 . 1 1 1 A 101 101 LEU CA C 101 53.490 53.802 -0.312 1
1 1260 . 1 1 1 A 101 101 LEU CB C 101 44.374 43.145 1.229 1
1 1264 . 1 1 1 A 101 101 LEU N N 101 118.539 122.043 -3.504 1
1 1265 . 1 1 1 A 102 102 ASP H H 102 8.029 8.204 -0.175 1
1 1266 . 1 1 1 A 102 102 ASP HA H 102 4.615 4.910 -0.295 1
1 1269 . 1 1 1 A 102 102 ASP C C 102 178.176 177.819 0.357 1
1 1270 . 1 1 1 A 102 102 ASP CA C 102 52.297 51.773 0.524 1
1 1271 . 1 1 1 A 102 102 ASP CB C 102 41.108 42.126 -1.018 1
1 1272 . 1 1 1 A 102 102 ASP N N 102 121.008 120.529 0.479 1
1 1273 . 1 1 1 A 103 103 ALA H H 103 8.384 8.683 -0.299 1
1 1274 . 1 1 1 A 103 103 ALA HA H 103 4.099 4.031 0.068 1
1 1278 . 1 1 1 A 103 103 ALA C C 103 178.527 178.399 0.128 1
1 1279 . 1 1 1 A 103 103 ALA CA C 103 54.648 55.142 -0.494 1
1 1280 . 1 1 1 A 103 103 ALA CB C 103 18.604 18.364 0.240 1
1 1281 . 1 1 1 A 103 103 ALA N N 103 120.139 120.625 -0.486 1
1 1282 . 1 1 1 A 104 104 ASP H H 104 8.033 7.709 0.324 1
1 1283 . 1 1 1 A 104 104 ASP HA H 104 4.811 4.671 0.140 1
1 1286 . 1 1 1 A 104 104 ASP C C 104 176.113 176.743 -0.630 1
1 1287 . 1 1 1 A 104 104 ASP CA C 104 54.077 54.191 -0.114 1
1 1288 . 1 1 1 A 104 104 ASP CB C 104 41.899 41.539 0.360 1
1 1289 . 1 1 1 A 104 104 ASP N N 104 116.590 116.681 -0.091 1
1 1290 . 1 1 1 A 105 105 GLY H H 105 8.196 8.063 0.133 1
1 1291 . 1 1 1 A 105 105 GLY HA2 H 105 4.293 3.912 0.381 1
1 1292 . 1 1 1 A 105 105 GLY HA3 H 105 3.657 3.914 -0.257 1
1 1293 . 1 1 1 A 105 105 GLY C C 105 173.635 174.639 -1.004 1
1 1294 . 1 1 1 A 105 105 GLY CA C 105 45.741 46.039 -0.298 1
1 1295 . 1 1 1 A 105 105 GLY N N 105 107.882 108.861 -0.979 1
1 1296 . 1 1 1 A 106 106 VAL H H 106 8.886 7.877 1.009 1
1 1297 . 1 1 1 A 106 106 VAL HA H 106 4.082 4.339 -0.257 1
1 1305 . 1 1 1 A 106 106 VAL C C 106 175.529 174.542 0.987 1
1 1306 . 1 1 1 A 106 106 VAL CA C 106 61.360 59.094 2.266 1
1 1307 . 1 1 1 A 106 106 VAL CB C 106 32.373 33.068 -0.695 1
1 1310 . 1 1 1 A 106 106 VAL N N 106 125.585 121.556 4.029 1
1 1311 . 1 1 1 A 107 107 PRO HA H 107 4.737 4.463 0.274 1
1 1318 . 1 1 1 A 107 107 PRO C C 107 176.029 176.266 -0.237 1
1 1319 . 1 1 1 A 107 107 PRO CA C 107 62.674 63.145 -0.471 1
1 1320 . 1 1 1 A 107 107 PRO CB C 107 31.789 31.619 0.170 1
1 1323 . 1 1 1 A 108 108 GLN H H 108 8.563 8.445 0.118 1
1 1324 . 1 1 1 A 108 108 GLN HA H 108 4.498 4.325 0.173 1
1 1331 . 1 1 1 A 108 108 GLN C C 108 176.218 176.018 0.200 1
1 1332 . 1 1 1 A 108 108 GLN CA C 108 54.901 55.024 -0.123 1
1 1333 . 1 1 1 A 108 108 GLN CB C 108 29.514 28.001 1.513 1
1 1336 . 1 1 1 A 108 108 GLN N N 108 122.641 122.805 -0.164 1
1 1338 . 1 1 1 A 109 109 LEU H H 109 8.853 8.127 0.726 1
1 1339 . 1 1 1 A 109 109 LEU HA H 109 4.330 4.272 0.058 1
1 1349 . 1 1 1 A 109 109 LEU C C 109 178.151 179.047 -0.896 1
1 1350 . 1 1 1 A 109 109 LEU CA C 109 56.522 56.675 -0.153 1
1 1351 . 1 1 1 A 109 109 LEU CB C 109 41.883 42.013 -0.130 1
1 1355 . 1 1 1 A 109 109 LEU N N 109 125.974 126.262 -0.288 1
1 1356 . 1 1 1 A 110 110 GLY H H 110 8.809 8.286 0.523 1
1 1357 . 1 1 1 A 110 110 GLY HA2 H 110 3.952 3.789 0.163 1
1 1358 . 1 1 1 A 110 110 GLY HA3 H 110 3.551 3.790 -0.239 1
1 1359 . 1 1 1 A 110 110 GLY C C 110 176.002 175.760 0.242 1
1 1360 . 1 1 1 A 110 110 GLY CA C 110 48.748 47.440 1.308 1
1 1361 . 1 1 1 A 110 110 GLY N N 110 109.442 106.375 3.067 1
1 1362 . 1 1 1 A 111 111 ASP H H 111 8.674 7.934 0.740 1
1 1363 . 1 1 1 A 111 111 ASP HA H 111 4.317 4.435 -0.118 1
1 1366 . 1 1 1 A 111 111 ASP C C 111 177.159 178.333 -1.174 1
1 1367 . 1 1 1 A 111 111 ASP CA C 111 56.239 56.156 0.083 1
1 1368 . 1 1 1 A 111 111 ASP CB C 111 39.791 40.481 -0.690 1
1 1369 . 1 1 1 A 111 111 ASP N N 111 119.503 121.539 -2.036 1
1 1370 . 1 1 1 A 112 112 HIS H H 112 7.471 8.000 -0.529 1
1 1371 . 1 1 1 A 112 112 HIS HA H 112 4.481 4.156 0.325 1
1 1376 . 1 1 1 A 112 112 HIS C C 112 177.121 174.402 2.719 1
1 1377 . 1 1 1 A 112 112 HIS CA C 112 56.692 58.331 -1.639 1
1 1378 . 1 1 1 A 112 112 HIS CB C 112 31.648 30.429 1.219 1
1 1381 . 1 1 1 A 112 112 HIS N N 112 116.681 120.811 -4.130 1
1 1382 . 1 1 1 A 113 113 LEU H H 113 7.526 8.049 -0.523 1
1 1383 . 1 1 1 A 113 113 LEU HA H 113 4.148 4.564 -0.416 1
1 1393 . 1 1 1 A 113 113 LEU C C 113 177.363 177.481 -0.118 1
1 1394 . 1 1 1 A 113 113 LEU CA C 113 55.509 53.122 2.387 1
1 1395 . 1 1 1 A 113 113 LEU CB C 113 42.009 43.920 -1.911 1
1 1399 . 1 1 1 A 113 113 LEU N N 113 118.976 117.816 1.160 1
1 1400 . 1 1 1 A 114 114 ALA H H 114 7.648 8.556 -0.908 1
1 1401 . 1 1 1 A 114 114 ALA HA H 114 4.227 4.328 -0.101 1
1 1405 . 1 1 1 A 114 114 ALA C C 114 177.692 178.075 -0.383 1
1 1406 . 1 1 1 A 114 114 ALA CA C 114 52.828 52.646 0.182 1
1 1407 . 1 1 1 A 114 114 ALA CB C 114 18.497 18.512 -0.015 1
1 1408 . 1 1 1 A 114 114 ALA N N 114 121.893 122.557 -0.664 1
1 1409 . 1 1 1 A 115 115 LEU H H 115 7.764 7.829 -0.065 1
1 1410 . 1 1 1 A 115 115 LEU HA H 115 4.146 4.077 0.069 1
1 1420 . 1 1 1 A 115 115 LEU C C 115 177.819 179.242 -1.423 1
1 1421 . 1 1 1 A 115 115 LEU CA C 115 55.771 57.685 -1.914 1
1 1422 . 1 1 1 A 115 115 LEU CB C 115 42.000 41.254 0.746 1
1 1426 . 1 1 1 A 115 115 LEU N N 115 119.576 120.198 -0.622 1
1 12 . 2 1 1 A 2 2 THR HA H 2 3.833 4.955 -1.122 1
1 17 . 2 1 1 A 2 2 THR C C 2 170.665 172.884 -2.219 1
1 18 . 2 1 1 A 2 2 THR CA C 2 62.154 60.662 1.492 1
1 19 . 2 1 1 A 2 2 THR CB C 2 69.580 71.476 -1.896 1
1 21 . 2 1 1 A 3 3 LEU H H 3 9.068 8.926 0.142 1
1 22 . 2 1 1 A 3 3 LEU HA H 3 4.887 4.702 0.185 1
1 32 . 2 1 1 A 3 3 LEU C C 3 175.859 176.312 -0.453 1
1 33 . 2 1 1 A 3 3 LEU CA C 3 54.426 54.007 0.419 1
1 34 . 2 1 1 A 3 3 LEU CB C 3 43.222 41.704 1.518 1
1 38 . 2 1 1 A 3 3 LEU N N 3 129.030 126.674 2.356 1
1 39 . 2 1 1 A 4 4 ILE H H 4 8.897 9.190 -0.293 1
1 40 . 2 1 1 A 4 4 ILE HA H 4 4.753 4.789 -0.036 1
1 50 . 2 1 1 A 4 4 ILE C C 4 174.211 173.898 0.313 1
1 51 . 2 1 1 A 4 4 ILE CA C 4 59.998 59.020 0.978 1
1 52 . 2 1 1 A 4 4 ILE CB C 4 41.129 40.018 1.111 1
1 56 . 2 1 1 A 4 4 ILE N N 4 115.702 122.098 -6.396 1
1 57 . 2 1 1 A 5 5 TYR H H 5 9.050 9.324 -0.274 1
1 58 . 2 1 1 A 5 5 TYR HA H 5 5.770 5.585 0.185 1
1 65 . 2 1 1 A 5 5 TYR C C 5 175.987 174.629 1.358 1
1 66 . 2 1 1 A 5 5 TYR CA C 5 57.923 56.340 1.583 1
1 67 . 2 1 1 A 5 5 TYR CB C 5 42.963 42.314 0.649 1
1 72 . 2 1 1 A 5 5 TYR N N 5 114.414 122.594 -8.180 1
1 73 . 2 1 1 A 6 6 LYS H H 6 8.858 8.275 0.583 1
1 74 . 2 1 1 A 6 6 LYS HA H 6 4.813 4.807 0.006 1
1 83 . 2 1 1 A 6 6 LYS C C 6 172.801 174.429 -1.628 1
1 84 . 2 1 1 A 6 6 LYS CA C 6 52.969 55.203 -2.234 1
1 85 . 2 1 1 A 6 6 LYS CB C 6 37.109 36.042 1.067 1
1 89 . 2 1 1 A 6 6 LYS N N 6 121.597 122.392 -0.795 1
1 90 . 2 1 1 A 7 7 ILE H H 7 8.277 8.903 -0.626 1
1 91 . 2 1 1 A 7 7 ILE HA H 7 4.702 4.737 -0.035 1
1 101 . 2 1 1 A 7 7 ILE C C 7 173.742 174.981 -1.239 1
1 102 . 2 1 1 A 7 7 ILE CA C 7 60.340 60.243 0.097 1
1 103 . 2 1 1 A 7 7 ILE CB C 7 38.941 38.517 0.424 1
1 107 . 2 1 1 A 7 7 ILE N N 7 128.212 128.047 0.165 1
1 108 . 2 1 1 A 8 8 LEU H H 8 8.627 8.895 -0.268 1
1 109 . 2 1 1 A 8 8 LEU HA H 8 4.757 4.940 -0.183 1
1 119 . 2 1 1 A 8 8 LEU C C 8 173.661 176.296 -2.635 1
1 120 . 2 1 1 A 8 8 LEU CA C 8 54.530 53.213 1.317 1
1 121 . 2 1 1 A 8 8 LEU CB C 8 43.617 45.302 -1.685 1
1 125 . 2 1 1 A 8 8 LEU N N 8 126.590 128.212 -1.622 1
1 126 . 2 1 1 A 9 9 SER H H 9 8.546 8.279 0.267 1
1 127 . 2 1 1 A 9 9 SER HA H 9 4.765 4.936 -0.171 1
1 130 . 2 1 1 A 9 9 SER C C 9 175.160 175.232 -0.072 1
1 131 . 2 1 1 A 9 9 SER CA C 9 58.520 57.289 1.231 1
1 132 . 2 1 1 A 9 9 SER CB C 9 65.227 64.652 0.575 1
1 133 . 2 1 1 A 9 9 SER N N 9 115.543 115.175 0.368 1
1 134 . 2 1 1 A 10 10 ARG H H 10 9.080 8.743 0.337 1
1 135 . 2 1 1 A 10 10 ARG HA H 10 4.037 4.036 0.001 1
1 143 . 2 1 1 A 10 10 ARG C C 10 177.847 177.996 -0.149 1
1 144 . 2 1 1 A 10 10 ARG CA C 10 59.210 59.910 -0.700 1
1 145 . 2 1 1 A 10 10 ARG CB C 10 28.776 29.831 -1.055 1
1 148 . 2 1 1 A 10 10 ARG N N 10 123.688 122.554 1.134 1
1 150 . 2 1 1 A 11 11 ALA H H 11 8.753 8.308 0.445 1
1 151 . 2 1 1 A 11 11 ALA HA H 11 4.248 4.113 0.135 1
1 155 . 2 1 1 A 11 11 ALA C C 11 181.848 180.084 1.764 1
1 156 . 2 1 1 A 11 11 ALA CA C 11 55.483 54.916 0.567 1
1 157 . 2 1 1 A 11 11 ALA CB C 11 18.209 18.562 -0.353 1
1 158 . 2 1 1 A 11 11 ALA N N 11 119.698 121.597 -1.899 1
1 159 . 2 1 1 A 12 12 GLU H H 12 7.957 7.672 0.285 1
1 160 . 2 1 1 A 12 12 GLU HA H 12 4.183 4.190 -0.007 1
1 165 . 2 1 1 A 12 12 GLU C C 12 179.576 179.320 0.256 1
1 166 . 2 1 1 A 12 12 GLU CA C 12 59.103 59.148 -0.045 1
1 167 . 2 1 1 A 12 12 GLU CB C 12 31.077 30.269 0.808 1
1 169 . 2 1 1 A 12 12 GLU N N 12 118.210 117.842 0.368 1
1 170 . 2 1 1 A 13 13 TRP H H 13 8.585 7.900 0.685 1
1 171 . 2 1 1 A 13 13 TRP HA H 13 4.937 4.005 0.932 1
1 180 . 2 1 1 A 13 13 TRP C C 13 176.827 178.003 -1.176 1
1 181 . 2 1 1 A 13 13 TRP CA C 13 57.845 60.785 -2.940 1
1 182 . 2 1 1 A 13 13 TRP CB C 13 31.010 29.411 1.599 1
1 188 . 2 1 1 A 13 13 TRP N N 13 123.646 122.366 1.280 1
1 190 . 2 1 1 A 14 14 ASP H H 14 9.260 8.627 0.633 1
1 191 . 2 1 1 A 14 14 ASP HA H 14 4.048 4.050 -0.002 1
1 194 . 2 1 1 A 14 14 ASP C C 14 180.120 178.175 1.945 1
1 195 . 2 1 1 A 14 14 ASP CA C 14 57.767 57.387 0.380 1
1 196 . 2 1 1 A 14 14 ASP CB C 14 39.467 40.886 -1.419 1
1 197 . 2 1 1 A 14 14 ASP N N 14 120.253 119.102 1.151 1
1 198 . 2 1 1 A 15 15 ALA H H 15 7.599 7.580 0.019 1
1 199 . 2 1 1 A 15 15 ALA HA H 15 4.163 4.019 0.144 1
1 203 . 2 1 1 A 15 15 ALA C C 15 180.115 179.961 0.154 1
1 204 . 2 1 1 A 15 15 ALA CA C 15 55.016 54.813 0.203 1
1 205 . 2 1 1 A 15 15 ALA CB C 15 17.871 18.439 -0.568 1
1 206 . 2 1 1 A 15 15 ALA N N 15 122.164 121.156 1.008 1
1 207 . 2 1 1 A 16 16 ALA H H 16 7.944 7.986 -0.042 1
1 208 . 2 1 1 A 16 16 ALA HA H 16 4.334 4.066 0.268 1
1 212 . 2 1 1 A 16 16 ALA C C 16 180.101 179.946 0.155 1
1 213 . 2 1 1 A 16 16 ALA CA C 16 54.659 55.248 -0.589 1
1 214 . 2 1 1 A 16 16 ALA CB C 16 19.107 18.562 0.545 1
1 215 . 2 1 1 A 16 16 ALA N N 16 122.526 120.522 2.004 1
1 216 . 2 1 1 A 17 17 LYS H H 17 8.317 7.548 0.769 1
1 217 . 2 1 1 A 17 17 LYS HA H 17 3.462 3.767 -0.305 1
1 226 . 2 1 1 A 17 17 LYS C C 17 179.126 179.447 -0.321 1
1 227 . 2 1 1 A 17 17 LYS CA C 17 60.077 59.133 0.944 1
1 228 . 2 1 1 A 17 17 LYS CB C 17 31.431 31.746 -0.315 1
1 232 . 2 1 1 A 17 17 LYS N N 17 117.572 116.410 1.162 1
1 233 . 2 1 1 A 18 18 ALA H H 18 7.296 7.689 -0.393 1
1 234 . 2 1 1 A 18 18 ALA HA H 18 4.100 4.001 0.099 1
1 238 . 2 1 1 A 18 18 ALA C C 18 178.940 178.341 0.599 1
1 239 . 2 1 1 A 18 18 ALA CA C 18 54.513 54.622 -0.109 1
1 240 . 2 1 1 A 18 18 ALA CB C 18 18.132 18.090 0.042 1
1 241 . 2 1 1 A 18 18 ALA N N 18 119.644 121.225 -1.581 1
1 242 . 2 1 1 A 19 19 GLN H H 19 7.443 7.532 -0.089 1
1 243 . 2 1 1 A 19 19 GLN HA H 19 4.535 4.336 0.199 1
1 250 . 2 1 1 A 19 19 GLN C C 19 176.607 176.642 -0.035 1
1 251 . 2 1 1 A 19 19 GLN CA C 19 55.755 56.024 -0.269 1
1 252 . 2 1 1 A 19 19 GLN CB C 19 30.075 29.526 0.549 1
1 255 . 2 1 1 A 19 19 GLN N N 19 113.538 115.680 -2.142 1
1 257 . 2 1 1 A 20 20 GLY H H 20 8.277 9.373 -1.096 1
1 258 . 2 1 1 A 20 20 GLY HA2 H 20 4.450 3.861 0.589 1
1 259 . 2 1 1 A 20 20 GLY HA3 H 20 3.627 3.883 -0.256 1
1 260 . 2 1 1 A 20 20 GLY C C 20 174.006 173.548 0.458 1
1 261 . 2 1 1 A 20 20 GLY CA C 20 45.567 45.589 -0.022 1
1 262 . 2 1 1 A 20 20 GLY N N 20 108.233 109.111 -0.878 1
1 263 . 2 1 1 A 21 21 ARG H H 21 7.786 7.287 0.499 1
1 264 . 2 1 1 A 21 21 ARG HA H 21 5.123 5.024 0.099 1
1 272 . 2 1 1 A 21 21 ARG C C 21 171.553 173.768 -2.215 1
1 273 . 2 1 1 A 21 21 ARG CA C 21 54.882 54.912 -0.030 1
1 274 . 2 1 1 A 21 21 ARG CB C 21 32.114 33.794 -1.680 1
1 277 . 2 1 1 A 21 21 ARG N N 21 116.837 120.657 -3.820 1
1 279 . 2 1 1 A 22 22 PHE H H 22 9.821 9.377 0.444 1
1 280 . 2 1 1 A 22 22 PHE HA H 22 5.185 5.153 0.032 1
1 285 . 2 1 1 A 22 22 PHE C C 22 173.825 175.324 -1.499 1
1 286 . 2 1 1 A 22 22 PHE CA C 22 54.913 57.041 -2.128 1
1 287 . 2 1 1 A 22 22 PHE CB C 22 41.568 42.147 -0.579 1
1 290 . 2 1 1 A 22 22 PHE N N 22 121.680 127.399 -5.719 1
1 291 . 2 1 1 A 23 23 GLU H H 23 9.053 8.282 0.771 1
1 292 . 2 1 1 A 23 23 GLU HA H 23 3.893 4.381 -0.488 1
1 297 . 2 1 1 A 23 23 GLU C C 23 174.856 177.745 -2.889 1
1 298 . 2 1 1 A 23 23 GLU CA C 23 56.781 55.012 1.769 1
1 299 . 2 1 1 A 23 23 GLU CB C 23 29.990 30.897 -0.907 1
1 301 . 2 1 1 A 23 23 GLU N N 23 125.059 123.950 1.109 1
1 302 . 2 1 1 A 24 24 GLY HA2 H 24 4.212 3.744 0.468 1
1 303 . 2 1 1 A 24 24 GLY HA3 H 24 3.112 3.748 -0.636 1
1 304 . 2 1 1 A 24 24 GLY C C 24 173.311 174.244 -0.933 1
1 305 . 2 1 1 A 24 24 GLY CA C 24 45.104 46.637 -1.533 1
1 306 . 2 1 1 A 25 25 SER H H 25 9.877 7.377 2.500 1
1 307 . 2 1 1 A 25 25 SER HA H 25 4.884 4.499 0.385 1
1 310 . 2 1 1 A 25 25 SER C C 25 173.788 173.712 0.076 1
1 311 . 2 1 1 A 25 25 SER CA C 25 57.549 57.097 0.452 1
1 312 . 2 1 1 A 25 25 SER CB C 25 65.383 65.132 0.251 1
1 313 . 2 1 1 A 25 25 SER N N 25 121.073 111.399 9.674 1
1 314 . 2 1 1 A 26 26 ALA H H 26 9.097 8.837 0.260 1
1 315 . 2 1 1 A 26 26 ALA HA H 26 3.964 3.995 -0.031 1
1 319 . 2 1 1 A 26 26 ALA C C 26 181.102 179.657 1.445 1
1 320 . 2 1 1 A 26 26 ALA CA C 26 56.670 55.287 1.383 1
1 321 . 2 1 1 A 26 26 ALA CB C 26 17.927 18.278 -0.351 1
1 322 . 2 1 1 A 26 26 ALA N N 26 123.398 126.697 -3.299 1
1 323 . 2 1 1 A 27 27 VAL H H 27 7.928 7.413 0.515 1
1 324 . 2 1 1 A 27 27 VAL HA H 27 3.593 3.516 0.077 1
1 332 . 2 1 1 A 27 27 VAL C C 27 176.628 177.724 -1.096 1
1 333 . 2 1 1 A 27 27 VAL CA C 27 65.257 66.537 -1.280 1
1 334 . 2 1 1 A 27 27 VAL CB C 27 31.688 31.720 -0.032 1
1 337 . 2 1 1 A 27 27 VAL N N 27 117.697 117.957 -0.260 1
1 338 . 2 1 1 A 28 28 ASP H H 28 6.927 8.355 -1.428 1
1 339 . 2 1 1 A 28 28 ASP HA H 28 4.512 4.171 0.341 1
1 342 . 2 1 1 A 28 28 ASP C C 28 178.402 179.267 -0.865 1
1 343 . 2 1 1 A 28 28 ASP CA C 28 56.586 57.231 -0.645 1
1 344 . 2 1 1 A 28 28 ASP CB C 28 41.317 40.048 1.269 1
1 345 . 2 1 1 A 28 28 ASP N N 28 121.516 120.585 0.931 1
1 346 . 2 1 1 A 29 29 LEU H H 29 8.309 8.175 0.134 1
1 347 . 2 1 1 A 29 29 LEU HA H 29 3.764 4.054 -0.290 1
1 357 . 2 1 1 A 29 29 LEU C C 29 180.093 179.443 0.650 1
1 358 . 2 1 1 A 29 29 LEU CA C 29 57.091 57.265 -0.174 1
1 359 . 2 1 1 A 29 29 LEU CB C 29 41.418 41.271 0.147 1
1 363 . 2 1 1 A 29 29 LEU N N 29 118.648 120.080 -1.432 1
1 364 . 2 1 1 A 30 30 ALA H H 30 7.458 7.765 -0.307 1
1 365 . 2 1 1 A 30 30 ALA HA H 30 4.000 3.954 0.046 1
1 369 . 2 1 1 A 30 30 ALA C C 30 179.371 179.227 0.144 1
1 370 . 2 1 1 A 30 30 ALA CA C 30 54.526 55.194 -0.668 1
1 371 . 2 1 1 A 30 30 ALA CB C 30 18.102 17.655 0.447 1
1 372 . 2 1 1 A 30 30 ALA N N 30 120.814 122.612 -1.798 1
1 373 . 2 1 1 A 31 31 ASP H H 31 7.682 7.935 -0.253 1
1 374 . 2 1 1 A 31 31 ASP HA H 31 4.410 4.335 0.075 1
1 377 . 2 1 1 A 31 31 ASP C C 31 176.610 176.057 0.553 1
1 378 . 2 1 1 A 31 31 ASP CA C 31 55.271 54.587 0.684 1
1 379 . 2 1 1 A 31 31 ASP CB C 31 40.083 40.735 -0.652 1
1 380 . 2 1 1 A 31 31 ASP N N 31 117.191 116.068 1.123 1
1 381 . 2 1 1 A 32 32 GLY H H 32 7.909 8.221 -0.312 1
1 382 . 2 1 1 A 32 32 GLY HA2 H 32 4.090 3.976 0.114 1
1 383 . 2 1 1 A 32 32 GLY HA3 H 32 3.597 4.041 -0.444 1
1 384 . 2 1 1 A 32 32 GLY C C 32 173.168 173.401 -0.233 1
1 385 . 2 1 1 A 32 32 GLY CA C 32 45.112 45.075 0.037 1
1 386 . 2 1 1 A 32 32 GLY N N 32 106.983 106.321 0.662 1
1 387 . 2 1 1 A 33 33 PHE H H 33 7.233 6.918 0.315 1
1 388 . 2 1 1 A 33 33 PHE HA H 33 4.212 4.861 -0.649 1
1 396 . 2 1 1 A 33 33 PHE C C 33 171.389 172.892 -1.503 1
1 397 . 2 1 1 A 33 33 PHE CA C 33 55.383 55.933 -0.550 1
1 398 . 2 1 1 A 33 33 PHE CB C 33 37.177 39.880 -2.703 1
1 404 . 2 1 1 A 33 33 PHE N N 33 115.364 114.547 0.817 1
1 405 . 2 1 1 A 34 34 ILE H H 34 8.637 7.987 0.650 1
1 406 . 2 1 1 A 34 34 ILE HA H 34 3.817 3.938 -0.121 1
1 416 . 2 1 1 A 34 34 ILE C C 34 177.018 175.439 1.579 1
1 417 . 2 1 1 A 34 34 ILE CA C 34 60.724 62.197 -1.473 1
1 418 . 2 1 1 A 34 34 ILE CB C 34 39.266 37.981 1.285 1
1 422 . 2 1 1 A 34 34 ILE N N 34 114.086 120.948 -6.862 1
1 423 . 2 1 1 A 35 35 HIS H H 35 9.203 8.763 0.440 1
1 424 . 2 1 1 A 35 35 HIS HA H 35 4.448 5.568 -1.120 1
1 428 . 2 1 1 A 35 35 HIS C C 35 175.740 174.077 1.663 1
1 429 . 2 1 1 A 35 35 HIS CA C 35 57.757 53.778 3.979 1
1 430 . 2 1 1 A 35 35 HIS CB C 35 29.758 31.582 -1.824 1
1 432 . 2 1 1 A 35 35 HIS N N 35 127.988 123.467 4.521 1
1 433 . 2 1 1 A 36 36 LEU H H 36 8.454 9.137 -0.683 1
1 434 . 2 1 1 A 36 36 LEU HA H 36 5.190 4.678 0.512 1
1 444 . 2 1 1 A 36 36 LEU C C 36 174.813 176.190 -1.377 1
1 445 . 2 1 1 A 36 36 LEU CA C 36 56.019 54.271 1.748 1
1 446 . 2 1 1 A 36 36 LEU CB C 36 44.541 42.084 2.457 1
1 450 . 2 1 1 A 36 36 LEU N N 36 126.075 126.893 -0.818 1
1 451 . 2 1 1 A 37 37 SER H H 37 9.128 8.709 0.419 1
1 452 . 2 1 1 A 37 37 SER HA H 37 5.277 5.484 -0.207 1
1 455 . 2 1 1 A 37 37 SER C C 37 174.433 173.893 0.540 1
1 456 . 2 1 1 A 37 37 SER CA C 37 57.990 56.289 1.701 1
1 457 . 2 1 1 A 37 37 SER CB C 37 66.778 66.262 0.516 1
1 458 . 2 1 1 A 37 37 SER N N 37 112.795 112.594 0.201 1
1 459 . 2 1 1 A 38 38 ALA H H 38 9.665 8.411 1.254 1
1 460 . 2 1 1 A 38 38 ALA HA H 38 4.973 4.886 0.087 1
1 464 . 2 1 1 A 38 38 ALA C C 38 179.640 178.481 1.159 1
1 465 . 2 1 1 A 38 38 ALA CA C 38 52.303 50.893 1.410 1
1 466 . 2 1 1 A 38 38 ALA CB C 38 19.350 20.583 -1.233 1
1 467 . 2 1 1 A 38 38 ALA N N 38 127.103 123.693 3.410 1
1 468 . 2 1 1 A 39 39 GLY H H 39 10.159 8.980 1.179 1
1 469 . 2 1 1 A 39 39 GLY HA2 H 39 4.249 3.724 0.525 1
1 470 . 2 1 1 A 39 39 GLY HA3 H 39 3.720 3.839 -0.119 1
1 471 . 2 1 1 A 39 39 GLY C C 39 176.229 175.763 0.466 1
1 472 . 2 1 1 A 39 39 GLY CA C 39 49.163 47.247 1.916 1
1 473 . 2 1 1 A 39 39 GLY N N 39 112.007 106.283 5.724 1
1 474 . 2 1 1 A 40 40 GLU H H 40 9.367 8.080 1.287 1
1 475 . 2 1 1 A 40 40 GLU HA H 40 4.234 4.012 0.222 1
1 480 . 2 1 1 A 40 40 GLU C C 40 176.417 178.880 -2.463 1
1 481 . 2 1 1 A 40 40 GLU CA C 40 58.622 59.428 -0.806 1
1 482 . 2 1 1 A 40 40 GLU CB C 40 28.796 29.258 -0.462 1
1 484 . 2 1 1 A 40 40 GLU N N 40 117.243 121.190 -3.947 1
1 485 . 2 1 1 A 41 41 GLN H H 41 7.503 8.258 -0.755 1
1 486 . 2 1 1 A 41 41 GLN HA H 41 4.752 4.115 0.637 1
1 493 . 2 1 1 A 41 41 GLN C C 41 177.730 178.043 -0.313 1
1 494 . 2 1 1 A 41 41 GLN CA C 41 55.626 58.495 -2.869 1
1 495 . 2 1 1 A 41 41 GLN CB C 41 30.653 28.179 2.474 1
1 498 . 2 1 1 A 41 41 GLN N N 41 115.837 118.147 -2.310 1
1 500 . 2 1 1 A 42 42 ALA H H 42 7.519 8.490 -0.971 1
1 501 . 2 1 1 A 42 42 ALA HA H 42 3.927 4.174 -0.247 1
1 505 . 2 1 1 A 42 42 ALA C C 42 177.826 179.342 -1.516 1
1 506 . 2 1 1 A 42 42 ALA CA C 42 56.706 55.400 1.306 1
1 507 . 2 1 1 A 42 42 ALA CB C 42 18.247 18.262 -0.015 1
1 508 . 2 1 1 A 42 42 ALA N N 42 123.105 122.229 0.876 1
1 509 . 2 1 1 A 43 43 GLN H H 43 9.203 8.135 1.068 1
1 510 . 2 1 1 A 43 43 GLN HA H 43 3.942 3.954 -0.012 1
1 517 . 2 1 1 A 43 43 GLN C C 43 177.913 178.151 -0.238 1
1 518 . 2 1 1 A 43 43 GLN CA C 43 58.678 59.368 -0.690 1
1 519 . 2 1 1 A 43 43 GLN CB C 43 28.815 28.304 0.511 1
1 522 . 2 1 1 A 43 43 GLN N N 43 118.650 117.603 1.047 1
1 524 . 2 1 1 A 44 44 GLU H H 44 8.611 8.279 0.332 1
1 525 . 2 1 1 A 44 44 GLU HA H 44 4.207 4.101 0.106 1
1 530 . 2 1 1 A 44 44 GLU C C 44 179.090 179.170 -0.080 1
1 531 . 2 1 1 A 44 44 GLU CA C 44 59.246 59.263 -0.017 1
1 532 . 2 1 1 A 44 44 GLU CB C 44 28.850 29.611 -0.761 1
1 534 . 2 1 1 A 44 44 GLU N N 44 122.042 119.848 2.194 1
1 535 . 2 1 1 A 45 45 THR H H 45 8.292 8.351 -0.059 1
1 536 . 2 1 1 A 45 45 THR HA H 45 4.123 4.240 -0.117 1
1 541 . 2 1 1 A 45 45 THR C C 45 176.228 176.980 -0.752 1
1 542 . 2 1 1 A 45 45 THR CA C 45 66.902 66.282 0.620 1
1 543 . 2 1 1 A 45 45 THR CB C 45 68.949 68.933 0.016 1
1 545 . 2 1 1 A 45 45 THR N N 45 117.583 116.102 1.481 1
1 546 . 2 1 1 A 46 46 ALA H H 46 8.275 8.895 -0.620 1
1 547 . 2 1 1 A 46 46 ALA HA H 46 4.255 4.374 -0.119 1
1 551 . 2 1 1 A 46 46 ALA C C 46 178.630 179.983 -1.353 1
1 552 . 2 1 1 A 46 46 ALA CA C 46 55.406 55.669 -0.263 1
1 553 . 2 1 1 A 46 46 ALA CB C 46 18.482 18.082 0.400 1
1 554 . 2 1 1 A 46 46 ALA N N 46 123.184 123.396 -0.212 1
1 555 . 2 1 1 A 47 47 ALA H H 47 8.066 7.640 0.426 1
1 556 . 2 1 1 A 47 47 ALA HA H 47 3.953 4.141 -0.188 1
1 560 . 2 1 1 A 47 47 ALA C C 47 178.552 179.521 -0.969 1
1 561 . 2 1 1 A 47 47 ALA CA C 47 55.030 54.489 0.541 1
1 562 . 2 1 1 A 47 47 ALA CB C 47 18.899 18.573 0.326 1
1 563 . 2 1 1 A 47 47 ALA N N 47 117.129 120.744 -3.615 1
1 564 . 2 1 1 A 48 48 LYS H H 48 8.089 8.000 0.089 1
1 565 . 2 1 1 A 48 48 LYS HA H 48 3.936 4.006 -0.070 1
1 574 . 2 1 1 A 48 48 LYS C C 48 179.130 178.075 1.055 1
1 575 . 2 1 1 A 48 48 LYS CA C 48 58.560 58.744 -0.184 1
1 576 . 2 1 1 A 48 48 LYS CB C 48 33.122 32.743 0.379 1
1 580 . 2 1 1 A 48 48 LYS N N 48 115.322 117.691 -2.369 1
1 581 . 2 1 1 A 49 49 TRP H H 49 7.978 7.964 0.014 1
1 582 . 2 1 1 A 49 49 TRP HA H 49 4.807 4.404 0.403 1
1 591 . 2 1 1 A 49 49 TRP C C 49 176.923 177.324 -0.401 1
1 592 . 2 1 1 A 49 49 TRP CA C 49 57.157 58.257 -1.100 1
1 593 . 2 1 1 A 49 49 TRP CB C 49 31.461 30.505 0.956 1
1 599 . 2 1 1 A 49 49 TRP N N 49 114.492 117.904 -3.412 1
1 601 . 2 1 1 A 50 50 PHE H H 50 7.740 7.484 0.256 1
1 602 . 2 1 1 A 50 50 PHE HA H 50 4.925 4.819 0.106 1
1 608 . 2 1 1 A 50 50 PHE C C 50 174.160 175.399 -1.239 1
1 609 . 2 1 1 A 50 50 PHE CA C 50 57.772 56.840 0.932 1
1 610 . 2 1 1 A 50 50 PHE CB C 50 39.610 38.610 1.000 1
1 614 . 2 1 1 A 50 50 PHE N N 50 116.540 116.433 0.107 1
1 615 . 2 1 1 A 51 51 ARG H H 51 7.389 7.719 -0.330 1
1 616 . 2 1 1 A 51 51 ARG HA H 51 4.198 3.982 0.216 1
1 624 . 2 1 1 A 51 51 ARG C C 51 179.130 177.570 1.560 1
1 625 . 2 1 1 A 51 51 ARG CA C 51 58.224 58.238 -0.014 1
1 626 . 2 1 1 A 51 51 ARG CB C 51 30.032 29.873 0.159 1
1 629 . 2 1 1 A 51 51 ARG N N 51 119.136 122.171 -3.035 1
1 631 . 2 1 1 A 52 52 GLY H H 52 10.264 8.746 1.518 1
1 632 . 2 1 1 A 52 52 GLY HA2 H 52 4.180 3.892 0.288 1
1 633 . 2 1 1 A 52 52 GLY HA3 H 52 3.745 3.895 -0.150 1
1 634 . 2 1 1 A 52 52 GLY C C 52 173.980 174.357 -0.377 1
1 635 . 2 1 1 A 52 52 GLY CA C 52 45.517 46.004 -0.487 1
1 636 . 2 1 1 A 52 52 GLY N N 52 114.192 114.649 -0.457 1
1 637 . 2 1 1 A 53 53 GLN H H 53 7.597 7.623 -0.026 1
1 638 . 2 1 1 A 53 53 GLN HA H 53 4.437 4.658 -0.221 1
1 645 . 2 1 1 A 53 53 GLN C C 53 172.934 174.508 -1.574 1
1 646 . 2 1 1 A 53 53 GLN CA C 53 56.280 55.288 0.992 1
1 647 . 2 1 1 A 53 53 GLN CB C 53 29.123 31.001 -1.878 1
1 650 . 2 1 1 A 53 53 GLN N N 53 120.438 119.034 1.404 1
1 652 . 2 1 1 A 54 54 ALA H H 54 8.190 8.618 -0.428 1
1 653 . 2 1 1 A 54 54 ALA HA H 54 4.344 4.878 -0.534 1
1 657 . 2 1 1 A 54 54 ALA C C 54 177.278 176.611 0.667 1
1 658 . 2 1 1 A 54 54 ALA CA C 54 51.377 51.047 0.330 1
1 659 . 2 1 1 A 54 54 ALA CB C 54 20.525 22.035 -1.510 1
1 660 . 2 1 1 A 54 54 ALA N N 54 124.528 120.534 3.994 1
1 661 . 2 1 1 A 55 55 ASN H H 55 8.903 8.705 0.198 1
1 662 . 2 1 1 A 55 55 ASN HA H 55 4.598 4.248 0.350 1
1 667 . 2 1 1 A 55 55 ASN C C 55 174.075 174.298 -0.223 1
1 668 . 2 1 1 A 55 55 ASN CA C 55 53.986 53.914 0.072 1
1 669 . 2 1 1 A 55 55 ASN CB C 55 37.654 37.038 0.616 1
1 671 . 2 1 1 A 55 55 ASN N N 55 113.776 116.796 -3.020 1
1 673 . 2 1 1 A 56 56 LEU H H 56 8.543 7.813 0.730 1
1 674 . 2 1 1 A 56 56 LEU HA H 56 4.677 4.675 0.002 1
1 684 . 2 1 1 A 56 56 LEU C C 56 176.806 175.311 1.495 1
1 685 . 2 1 1 A 56 56 LEU CA C 56 54.383 53.553 0.830 1
1 686 . 2 1 1 A 56 56 LEU CB C 56 45.328 43.208 2.120 1
1 690 . 2 1 1 A 56 56 LEU N N 56 117.411 120.790 -3.379 1
1 691 . 2 1 1 A 57 57 VAL H H 57 9.207 9.345 -0.138 1
1 692 . 2 1 1 A 57 57 VAL HA H 57 4.633 4.621 0.012 1
1 700 . 2 1 1 A 57 57 VAL C C 57 172.465 173.941 -1.476 1
1 701 . 2 1 1 A 57 57 VAL CA C 57 59.970 61.084 -1.114 1
1 702 . 2 1 1 A 57 57 VAL CB C 57 35.376 32.953 2.423 1
1 705 . 2 1 1 A 57 57 VAL N N 57 121.448 125.283 -3.835 1
1 706 . 2 1 1 A 58 58 LEU H H 58 8.855 8.924 -0.069 1
1 707 . 2 1 1 A 58 58 LEU HA H 58 4.763 4.621 0.142 1
1 717 . 2 1 1 A 58 58 LEU C C 58 175.349 174.563 0.786 1
1 718 . 2 1 1 A 58 58 LEU CA C 58 52.286 53.937 -1.651 1
1 719 . 2 1 1 A 58 58 LEU CB C 58 46.390 43.090 3.300 1
1 723 . 2 1 1 A 58 58 LEU N N 58 124.476 129.995 -5.519 1
1 724 . 2 1 1 A 59 59 LEU H H 59 9.265 8.828 0.437 1
1 725 . 2 1 1 A 59 59 LEU HA H 59 4.714 4.375 0.339 1
1 735 . 2 1 1 A 59 59 LEU C C 59 175.262 175.709 -0.447 1
1 736 . 2 1 1 A 59 59 LEU CA C 59 52.753 54.216 -1.463 1
1 737 . 2 1 1 A 59 59 LEU CB C 59 42.431 41.178 1.253 1
1 741 . 2 1 1 A 59 59 LEU N N 59 125.973 128.641 -2.668 1
1 742 . 2 1 1 A 60 60 ALA H H 60 8.331 9.013 -0.682 1
1 743 . 2 1 1 A 60 60 ALA HA H 60 4.739 4.795 -0.056 1
1 747 . 2 1 1 A 60 60 ALA C C 60 175.631 175.532 0.099 1
1 748 . 2 1 1 A 60 60 ALA CA C 60 50.320 50.393 -0.073 1
1 749 . 2 1 1 A 60 60 ALA CB C 60 21.744 19.981 1.763 1
1 750 . 2 1 1 A 60 60 ALA N N 60 124.617 127.735 -3.118 1
1 751 . 2 1 1 A 61 61 VAL H H 61 8.944 8.645 0.299 1
1 752 . 2 1 1 A 61 61 VAL HA H 61 4.244 4.474 -0.230 1
1 760 . 2 1 1 A 61 61 VAL C C 61 174.674 174.512 0.162 1
1 761 . 2 1 1 A 61 61 VAL CA C 61 60.770 61.173 -0.403 1
1 762 . 2 1 1 A 61 61 VAL CB C 61 36.636 33.921 2.715 1
1 765 . 2 1 1 A 61 61 VAL N N 61 124.079 123.742 0.337 1
1 766 . 2 1 1 A 62 62 GLU H H 62 8.490 9.152 -0.662 1
1 767 . 2 1 1 A 62 62 GLU HA H 62 4.551 4.954 -0.403 1
1 772 . 2 1 1 A 62 62 GLU C C 62 177.700 177.510 0.190 1
1 773 . 2 1 1 A 62 62 GLU CA C 62 56.879 55.783 1.096 1
1 774 . 2 1 1 A 62 62 GLU CB C 62 29.372 30.335 -0.963 1
1 776 . 2 1 1 A 62 62 GLU N N 62 127.752 125.719 2.033 1
1 777 . 2 1 1 A 63 63 ALA H H 63 9.173 9.061 0.112 1
1 778 . 2 1 1 A 63 63 ALA HA H 63 3.991 4.002 -0.011 1
1 782 . 2 1 1 A 63 63 ALA C C 63 180.311 177.557 2.754 1
1 783 . 2 1 1 A 63 63 ALA CA C 63 54.850 55.690 -0.840 1
1 784 . 2 1 1 A 63 63 ALA CB C 63 19.495 18.662 0.833 1
1 785 . 2 1 1 A 63 63 ALA N N 63 127.466 126.177 1.289 1
1 786 . 2 1 1 A 64 64 GLU H H 64 9.571 7.863 1.708 1
1 787 . 2 1 1 A 64 64 GLU HA H 64 4.146 4.364 -0.218 1
1 792 . 2 1 1 A 64 64 GLU C C 64 177.102 175.127 1.975 1
1 793 . 2 1 1 A 64 64 GLU CA C 64 63.532 57.242 6.290 1
1 794 . 2 1 1 A 64 64 GLU CB C 64 25.742 28.653 -2.911 1
1 796 . 2 1 1 A 64 64 GLU N N 64 120.368 117.651 2.717 1
1 797 . 2 1 1 A 65 65 PRO HA H 65 4.440 4.643 -0.203 1
1 804 . 2 1 1 A 65 65 PRO C C 65 177.332 176.749 0.583 1
1 805 . 2 1 1 A 65 65 PRO CA C 65 64.973 62.708 2.265 1
1 806 . 2 1 1 A 65 65 PRO CB C 65 31.341 29.484 1.857 1
1 809 . 2 1 1 A 66 66 LEU H H 66 7.412 8.758 -1.346 1
1 810 . 2 1 1 A 66 66 LEU HA H 66 4.023 4.171 -0.148 1
1 820 . 2 1 1 A 66 66 LEU C C 66 178.533 176.873 1.660 1
1 821 . 2 1 1 A 66 66 LEU CA C 66 55.861 55.996 -0.135 1
1 822 . 2 1 1 A 66 66 LEU CB C 66 41.349 42.895 -1.546 1
1 826 . 2 1 1 A 66 66 LEU N N 66 114.991 122.119 -7.128 1
1 827 . 2 1 1 A 67 67 GLY H H 67 7.733 7.706 0.027 1
1 828 . 2 1 1 A 67 67 GLY HA2 H 67 4.018 4.097 -0.079 1
1 829 . 2 1 1 A 67 67 GLY HA3 H 67 3.909 4.098 -0.189 1
1 830 . 2 1 1 A 67 67 GLY C C 67 175.925 173.430 2.495 1
1 831 . 2 1 1 A 67 67 GLY CA C 67 46.054 45.748 0.306 1
1 832 . 2 1 1 A 67 67 GLY N N 67 104.242 105.988 -1.746 1
1 833 . 2 1 1 A 68 68 GLU H H 68 8.887 8.798 0.089 1
1 834 . 2 1 1 A 68 68 GLU HA H 68 4.219 4.632 -0.413 1
1 839 . 2 1 1 A 68 68 GLU C C 68 176.314 176.334 -0.020 1
1 840 . 2 1 1 A 68 68 GLU CA C 68 57.652 55.374 2.278 1
1 841 . 2 1 1 A 68 68 GLU CB C 68 29.306 30.537 -1.231 1
1 843 . 2 1 1 A 68 68 GLU N N 68 121.253 123.870 -2.617 1
1 844 . 2 1 1 A 69 69 ASP H H 69 7.630 8.118 -0.488 1
1 845 . 2 1 1 A 69 69 ASP HA H 69 4.587 4.500 0.087 1
1 848 . 2 1 1 A 69 69 ASP C C 69 174.665 176.618 -1.953 1
1 849 . 2 1 1 A 69 69 ASP CA C 69 56.078 57.410 -1.332 1
1 850 . 2 1 1 A 69 69 ASP CB C 69 41.572 41.031 0.541 1
1 851 . 2 1 1 A 69 69 ASP N N 69 116.486 121.308 -4.822 1
1 852 . 2 1 1 A 70 70 LEU H H 70 7.433 7.477 -0.044 1
1 853 . 2 1 1 A 70 70 LEU HA H 70 4.854 4.892 -0.038 1
1 863 . 2 1 1 A 70 70 LEU C C 70 174.259 175.357 -1.098 1
1 864 . 2 1 1 A 70 70 LEU CA C 70 53.281 53.996 -0.715 1
1 865 . 2 1 1 A 70 70 LEU CB C 70 43.024 43.907 -0.883 1
1 869 . 2 1 1 A 70 70 LEU N N 70 121.585 119.523 2.062 1
1 870 . 2 1 1 A 71 71 LYS H H 71 9.114 9.440 -0.326 1
1 871 . 2 1 1 A 71 71 LYS HA H 71 4.724 4.890 -0.166 1
1 880 . 2 1 1 A 71 71 LYS C C 71 175.146 175.054 0.092 1
1 881 . 2 1 1 A 71 71 LYS CA C 71 54.024 54.758 -0.734 1
1 882 . 2 1 1 A 71 71 LYS CB C 71 35.469 33.966 1.503 1
1 886 . 2 1 1 A 71 71 LYS N N 71 126.179 127.582 -1.403 1
1 887 . 2 1 1 A 72 72 TRP H H 72 8.981 9.086 -0.105 1
1 888 . 2 1 1 A 72 72 TRP HA H 72 4.720 4.812 -0.092 1
1 897 . 2 1 1 A 72 72 TRP C C 72 176.394 176.657 -0.263 1
1 898 . 2 1 1 A 72 72 TRP CA C 72 55.876 58.002 -2.126 1
1 899 . 2 1 1 A 72 72 TRP CB C 72 27.789 29.429 -1.640 1
1 905 . 2 1 1 A 72 72 TRP N N 72 125.904 128.390 -2.486 1
1 907 . 2 1 1 A 73 73 GLU H H 73 8.558 8.712 -0.154 1
1 908 . 2 1 1 A 73 73 GLU HA H 73 4.762 4.871 -0.109 1
1 913 . 2 1 1 A 73 73 GLU C C 73 175.459 175.671 -0.212 1
1 914 . 2 1 1 A 73 73 GLU CA C 73 55.208 54.571 0.637 1
1 915 . 2 1 1 A 73 73 GLU CB C 73 32.615 33.263 -0.648 1
1 917 . 2 1 1 A 73 73 GLU N N 73 123.290 123.742 -0.452 1
1 918 . 2 1 1 A 74 74 ALA H H 74 8.962 8.926 0.036 1
1 919 . 2 1 1 A 74 74 ALA HA H 74 4.738 4.515 0.223 1
1 923 . 2 1 1 A 74 74 ALA C C 74 177.803 177.915 -0.112 1
1 924 . 2 1 1 A 74 74 ALA CA C 74 52.246 52.232 0.014 1
1 925 . 2 1 1 A 74 74 ALA CB C 74 20.070 18.596 1.474 1
1 926 . 2 1 1 A 74 74 ALA N N 74 127.315 127.897 -0.582 1
1 927 . 2 1 1 A 75 75 SER H H 75 8.762 8.798 -0.036 1
1 928 . 2 1 1 A 75 75 SER HA H 75 4.850 4.442 0.408 1
1 931 . 2 1 1 A 75 75 SER C C 75 176.080 174.827 1.253 1
1 932 . 2 1 1 A 75 75 SER CA C 75 56.954 60.976 -4.022 1
1 933 . 2 1 1 A 75 75 SER CB C 75 65.244 63.034 2.210 1
1 934 . 2 1 1 A 75 75 SER N N 75 117.745 119.248 -1.503 1
1 935 . 2 1 1 A 76 76 ARG HA H 76 4.193 4.614 -0.421 1
1 943 . 2 1 1 A 76 76 ARG CA C 76 58.895 55.162 3.733 1
1 944 . 2 1 1 A 76 76 ARG CB C 76 29.877 30.876 -0.999 1
1 947 . 2 1 1 A 77 77 GLY C C 77 175.277 175.691 -0.414 1
1 948 . 2 1 1 A 78 78 GLY H H 78 8.045 8.504 -0.459 1
1 949 . 2 1 1 A 78 78 GLY HA2 H 78 4.390 3.932 0.458 1
1 950 . 2 1 1 A 78 78 GLY HA3 H 78 3.786 3.935 -0.149 1
1 951 . 2 1 1 A 78 78 GLY C C 78 173.503 174.699 -1.196 1
1 952 . 2 1 1 A 78 78 GLY CA C 78 45.296 47.021 -1.725 1
1 953 . 2 1 1 A 78 78 GLY N N 78 110.323 111.007 -0.684 1
1 954 . 2 1 1 A 79 79 ALA H H 79 7.879 7.806 0.073 1
1 955 . 2 1 1 A 79 79 ALA HA H 79 4.357 4.483 -0.126 1
1 959 . 2 1 1 A 79 79 ALA C C 79 176.674 177.154 -0.480 1
1 960 . 2 1 1 A 79 79 ALA CA C 79 52.151 51.566 0.585 1
1 961 . 2 1 1 A 79 79 ALA CB C 79 20.171 19.816 0.355 1
1 962 . 2 1 1 A 79 79 ALA N N 79 123.865 123.135 0.730 1
1 963 . 2 1 1 A 80 80 ARG H H 80 8.375 8.711 -0.336 1
1 964 . 2 1 1 A 80 80 ARG HA H 80 4.629 4.823 -0.194 1
1 972 . 2 1 1 A 80 80 ARG C C 80 175.713 175.970 -0.257 1
1 973 . 2 1 1 A 80 80 ARG CA C 80 55.622 56.078 -0.456 1
1 974 . 2 1 1 A 80 80 ARG CB C 80 32.074 31.992 0.082 1
1 977 . 2 1 1 A 80 80 ARG N N 80 119.145 124.215 -5.070 1
1 979 . 2 1 1 A 81 81 PHE H H 81 8.722 9.081 -0.359 1
1 980 . 2 1 1 A 81 81 PHE HA H 81 5.156 5.016 0.140 1
1 988 . 2 1 1 A 81 81 PHE C C 81 172.806 173.458 -0.652 1
1 989 . 2 1 1 A 81 81 PHE CA C 81 54.950 54.986 -0.036 1
1 990 . 2 1 1 A 81 81 PHE CB C 81 42.240 41.941 0.299 1
1 996 . 2 1 1 A 81 81 PHE N N 81 123.774 120.689 3.085 1
1 997 . 2 1 1 A 82 82 PRO HA H 82 3.635 4.078 -0.443 1
1 1004 . 2 1 1 A 82 82 PRO C C 82 174.511 176.192 -1.681 1
1 1005 . 2 1 1 A 82 82 PRO CA C 82 61.347 62.458 -1.111 1
1 1006 . 2 1 1 A 82 82 PRO CB C 82 29.495 30.999 -1.504 1
1 1009 . 2 1 1 A 83 83 HIS H H 83 8.831 8.641 0.190 1
1 1010 . 2 1 1 A 83 83 HIS HA H 83 5.330 4.945 0.385 1
1 1014 . 2 1 1 A 83 83 HIS C C 83 172.952 174.121 -1.169 1
1 1015 . 2 1 1 A 83 83 HIS CA C 83 50.700 55.979 -5.279 1
1 1016 . 2 1 1 A 83 83 HIS CB C 83 33.238 31.270 1.968 1
1 1018 . 2 1 1 A 83 83 HIS N N 83 124.483 122.602 1.881 1
1 1019 . 2 1 1 A 84 84 LEU H H 84 9.063 9.196 -0.133 1
1 1020 . 2 1 1 A 84 84 LEU HA H 84 5.163 5.244 -0.081 1
1 1030 . 2 1 1 A 84 84 LEU C C 84 176.699 175.910 0.789 1
1 1031 . 2 1 1 A 84 84 LEU CA C 84 53.829 53.187 0.642 1
1 1032 . 2 1 1 A 84 84 LEU CB C 84 45.366 45.738 -0.372 1
1 1036 . 2 1 1 A 84 84 LEU N N 84 125.218 124.823 0.395 1
1 1037 . 2 1 1 A 85 85 TYR H H 85 9.058 8.637 0.421 1
1 1038 . 2 1 1 A 85 85 TYR HA H 85 4.508 4.799 -0.291 1
1 1045 . 2 1 1 A 85 85 TYR C C 85 173.624 174.866 -1.242 1
1 1046 . 2 1 1 A 85 85 TYR CA C 85 60.034 57.182 2.852 1
1 1047 . 2 1 1 A 85 85 TYR CB C 85 36.073 37.452 -1.379 1
1 1052 . 2 1 1 A 85 85 TYR N N 85 131.339 127.085 4.254 1
1 1053 . 2 1 1 A 86 86 ARG H H 86 7.432 7.628 -0.196 1
1 1054 . 2 1 1 A 86 86 ARG HA H 86 4.682 4.772 -0.090 1
1 1062 . 2 1 1 A 86 86 ARG C C 86 171.917 173.299 -1.382 1
1 1063 . 2 1 1 A 86 86 ARG CA C 86 54.953 54.519 0.434 1
1 1064 . 2 1 1 A 86 86 ARG CB C 86 28.209 32.834 -4.625 1
1 1067 . 2 1 1 A 86 86 ARG N N 86 114.399 117.149 -2.750 1
1 1069 . 2 1 1 A 87 87 PRO HA H 87 4.303 4.395 -0.092 1
1 1076 . 2 1 1 A 87 87 PRO C C 87 175.771 175.702 0.069 1
1 1077 . 2 1 1 A 87 87 PRO CA C 87 63.497 62.879 0.618 1
1 1078 . 2 1 1 A 87 87 PRO CB C 87 32.253 31.942 0.311 1
1 1081 . 2 1 1 A 88 88 LEU H H 88 8.095 8.118 -0.023 1
1 1082 . 2 1 1 A 88 88 LEU HA H 88 4.286 4.786 -0.500 1
1 1092 . 2 1 1 A 88 88 LEU C C 88 175.946 175.486 0.460 1
1 1093 . 2 1 1 A 88 88 LEU CA C 88 53.675 53.835 -0.160 1
1 1094 . 2 1 1 A 88 88 LEU CB C 88 45.548 43.579 1.969 1
1 1098 . 2 1 1 A 88 88 LEU N N 88 125.942 122.608 3.334 1
1 1099 . 2 1 1 A 89 89 LEU H H 89 9.224 8.650 0.574 1
1 1100 . 2 1 1 A 89 89 LEU HA H 89 4.561 4.372 0.189 1
1 1110 . 2 1 1 A 89 89 LEU C C 89 179.295 178.361 0.934 1
1 1111 . 2 1 1 A 89 89 LEU CA C 89 55.212 55.293 -0.081 1
1 1112 . 2 1 1 A 89 89 LEU CB C 89 41.460 41.755 -0.295 1
1 1116 . 2 1 1 A 89 89 LEU N N 89 128.295 128.649 -0.354 1
1 1117 . 2 1 1 A 90 90 VAL H H 90 7.665 8.796 -1.131 1
1 1118 . 2 1 1 A 90 90 VAL HA H 90 3.785 3.904 -0.119 1
1 1126 . 2 1 1 A 90 90 VAL C C 90 178.510 177.724 0.786 1
1 1127 . 2 1 1 A 90 90 VAL CA C 90 66.833 66.326 0.507 1
1 1128 . 2 1 1 A 90 90 VAL CB C 90 31.330 31.620 -0.290 1
1 1131 . 2 1 1 A 90 90 VAL N N 90 122.696 122.380 0.316 1
1 1132 . 2 1 1 A 91 91 SER H H 91 8.134 8.192 -0.058 1
1 1133 . 2 1 1 A 91 91 SER HA H 91 4.280 4.358 -0.078 1
1 1136 . 2 1 1 A 91 91 SER C C 91 175.328 175.103 0.225 1
1 1137 . 2 1 1 A 91 91 SER CA C 91 59.822 60.386 -0.564 1
1 1138 . 2 1 1 A 91 91 SER CB C 91 62.512 63.050 -0.538 1
1 1139 . 2 1 1 A 91 91 SER N N 91 112.443 116.529 -4.086 1
1 1140 . 2 1 1 A 92 92 GLU H H 92 7.598 8.231 -0.633 1
1 1141 . 2 1 1 A 92 92 GLU HA H 92 4.221 4.380 -0.159 1
1 1146 . 2 1 1 A 92 92 GLU C C 92 175.722 176.983 -1.261 1
1 1147 . 2 1 1 A 92 92 GLU CA C 92 56.594 57.977 -1.383 1
1 1148 . 2 1 1 A 92 92 GLU CB C 92 29.511 30.062 -0.551 1
1 1150 . 2 1 1 A 92 92 GLU N N 92 120.359 120.009 0.350 1
1 1151 . 2 1 1 A 93 93 VAL H H 93 7.486 7.492 -0.006 1
1 1152 . 2 1 1 A 93 93 VAL HA H 93 4.046 4.149 -0.103 1
1 1160 . 2 1 1 A 93 93 VAL C C 93 176.093 175.404 0.689 1
1 1161 . 2 1 1 A 93 93 VAL CA C 93 63.242 63.380 -0.138 1
1 1162 . 2 1 1 A 93 93 VAL CB C 93 32.306 31.432 0.874 1
1 1165 . 2 1 1 A 93 93 VAL N N 93 121.222 120.568 0.654 1
1 1166 . 2 1 1 A 94 94 THR H H 94 9.003 8.875 0.128 1
1 1167 . 2 1 1 A 94 94 THR HA H 94 4.264 4.108 0.156 1
1 1172 . 2 1 1 A 94 94 THR C C 94 174.664 175.265 -0.601 1
1 1173 . 2 1 1 A 94 94 THR CA C 94 64.438 64.860 -0.422 1
1 1174 . 2 1 1 A 94 94 THR CB C 94 69.317 69.146 0.171 1
1 1176 . 2 1 1 A 94 94 THR N N 94 124.794 122.739 2.055 1
1 1177 . 2 1 1 A 95 95 ARG H H 95 7.514 7.779 -0.265 1
1 1178 . 2 1 1 A 95 95 ARG HA H 95 4.646 4.822 -0.176 1
1 1186 . 2 1 1 A 95 95 ARG C C 95 172.989 174.718 -1.729 1
1 1187 . 2 1 1 A 95 95 ARG CA C 95 55.872 54.559 1.313 1
1 1188 . 2 1 1 A 95 95 ARG CB C 95 33.789 35.303 -1.514 1
1 1191 . 2 1 1 A 95 95 ARG N N 95 118.660 118.966 -0.306 1
1 1193 . 2 1 1 A 96 96 GLU H H 96 8.545 9.071 -0.526 1
1 1194 . 2 1 1 A 96 96 GLU HA H 96 5.329 5.309 0.020 1
1 1199 . 2 1 1 A 96 96 GLU C C 96 174.480 174.591 -0.111 1
1 1200 . 2 1 1 A 96 96 GLU CA C 96 53.415 54.638 -1.223 1
1 1201 . 2 1 1 A 96 96 GLU CB C 96 33.592 33.826 -0.234 1
1 1203 . 2 1 1 A 96 96 GLU N N 96 121.828 118.262 3.566 1
1 1204 . 2 1 1 A 97 97 ALA H H 97 8.276 7.932 0.344 1
1 1205 . 2 1 1 A 97 97 ALA HA H 97 4.537 4.865 -0.328 1
1 1209 . 2 1 1 A 97 97 ALA C C 97 175.233 175.378 -0.145 1
1 1210 . 2 1 1 A 97 97 ALA CA C 97 51.368 51.677 -0.309 1
1 1211 . 2 1 1 A 97 97 ALA CB C 97 22.101 22.255 -0.154 1
1 1212 . 2 1 1 A 97 97 ALA N N 97 123.211 121.227 1.984 1
1 1213 . 2 1 1 A 98 98 ASP H H 98 8.399 8.739 -0.340 1
1 1214 . 2 1 1 A 98 98 ASP HA H 98 4.850 4.843 0.007 1
1 1217 . 2 1 1 A 98 98 ASP C C 98 176.085 175.784 0.301 1
1 1218 . 2 1 1 A 98 98 ASP CA C 98 54.824 54.114 0.710 1
1 1219 . 2 1 1 A 98 98 ASP CB C 98 41.694 40.797 0.897 1
1 1220 . 2 1 1 A 98 98 ASP N N 98 122.093 123.662 -1.569 1
1 1221 . 2 1 1 A 99 99 LEU H H 99 7.854 8.842 -0.988 1
1 1222 . 2 1 1 A 99 99 LEU HA H 99 4.766 5.014 -0.248 1
1 1232 . 2 1 1 A 99 99 LEU C C 99 176.250 175.385 0.865 1
1 1233 . 2 1 1 A 99 99 LEU CA C 99 53.544 53.251 0.293 1
1 1234 . 2 1 1 A 99 99 LEU CB C 99 44.229 42.951 1.278 1
1 1238 . 2 1 1 A 99 99 LEU N N 99 120.272 120.878 -0.606 1
1 1239 . 2 1 1 A 100 100 ASP H H 100 9.215 8.585 0.630 1
1 1240 . 2 1 1 A 100 100 ASP HA H 100 4.935 4.964 -0.029 1
1 1243 . 2 1 1 A 100 100 ASP C C 100 174.956 176.000 -1.044 1
1 1244 . 2 1 1 A 100 100 ASP CA C 100 52.684 53.426 -0.742 1
1 1245 . 2 1 1 A 100 100 ASP CB C 100 43.362 40.392 2.970 1
1 1246 . 2 1 1 A 100 100 ASP N N 100 123.325 122.863 0.462 1
1 1247 . 2 1 1 A 101 101 LEU H H 101 8.526 8.054 0.472 1
1 1248 . 2 1 1 A 101 101 LEU HA H 101 4.639 4.121 0.518 1
1 1258 . 2 1 1 A 101 101 LEU C C 101 178.204 174.486 3.718 1
1 1259 . 2 1 1 A 101 101 LEU CA C 101 53.490 57.114 -3.624 1
1 1260 . 2 1 1 A 101 101 LEU CB C 101 44.374 40.835 3.539 1
1 1264 . 2 1 1 A 101 101 LEU N N 101 118.539 120.724 -2.185 1
1 1265 . 2 1 1 A 102 102 ASP H H 102 8.029 8.424 -0.395 1
1 1266 . 2 1 1 A 102 102 ASP HA H 102 4.615 4.970 -0.355 1
1 1269 . 2 1 1 A 102 102 ASP C C 102 178.176 175.743 2.433 1
1 1270 . 2 1 1 A 102 102 ASP CA C 102 52.297 52.781 -0.484 1
1 1271 . 2 1 1 A 102 102 ASP CB C 102 41.108 43.698 -2.590 1
1 1272 . 2 1 1 A 102 102 ASP N N 102 121.008 120.203 0.805 1
1 1273 . 2 1 1 A 103 103 ALA H H 103 8.384 8.658 -0.274 1
1 1274 . 2 1 1 A 103 103 ALA HA H 103 4.099 4.070 0.029 1
1 1278 . 2 1 1 A 103 103 ALA C C 103 178.527 177.983 0.544 1
1 1279 . 2 1 1 A 103 103 ALA CA C 103 54.648 55.164 -0.516 1
1 1280 . 2 1 1 A 103 103 ALA CB C 103 18.604 18.439 0.165 1
1 1281 . 2 1 1 A 103 103 ALA N N 103 120.139 124.375 -4.236 1
1 1282 . 2 1 1 A 104 104 ASP H H 104 8.033 8.023 0.010 1
1 1283 . 2 1 1 A 104 104 ASP HA H 104 4.811 4.605 0.206 1
1 1286 . 2 1 1 A 104 104 ASP C C 104 176.113 177.275 -1.162 1
1 1287 . 2 1 1 A 104 104 ASP CA C 104 54.077 52.978 1.099 1
1 1288 . 2 1 1 A 104 104 ASP CB C 104 41.899 40.130 1.769 1
1 1289 . 2 1 1 A 104 104 ASP N N 104 116.590 112.628 3.962 1
1 1290 . 2 1 1 A 105 105 GLY H H 105 8.196 8.792 -0.596 1
1 1291 . 2 1 1 A 105 105 GLY HA2 H 105 4.293 3.929 0.364 1
1 1292 . 2 1 1 A 105 105 GLY HA3 H 105 3.657 3.930 -0.273 1
1 1293 . 2 1 1 A 105 105 GLY C C 105 173.635 173.803 -0.168 1
1 1294 . 2 1 1 A 105 105 GLY CA C 105 45.741 45.809 -0.068 1
1 1295 . 2 1 1 A 105 105 GLY N N 105 107.882 111.161 -3.279 1
1 1296 . 2 1 1 A 106 106 VAL H H 106 8.886 7.833 1.053 1
1 1297 . 2 1 1 A 106 106 VAL HA H 106 4.082 4.510 -0.428 1
1 1305 . 2 1 1 A 106 106 VAL C C 106 175.529 174.353 1.176 1
1 1306 . 2 1 1 A 106 106 VAL CA C 106 61.360 58.714 2.646 1
1 1307 . 2 1 1 A 106 106 VAL CB C 106 32.373 34.773 -2.400 1
1 1310 . 2 1 1 A 106 106 VAL N N 106 125.585 121.432 4.153 1
1 1311 . 2 1 1 A 107 107 PRO HA H 107 4.737 4.622 0.115 1
1 1318 . 2 1 1 A 107 107 PRO C C 107 176.029 176.677 -0.648 1
1 1319 . 2 1 1 A 107 107 PRO CA C 107 62.674 62.779 -0.105 1
1 1320 . 2 1 1 A 107 107 PRO CB C 107 31.789 31.388 0.401 1
1 1323 . 2 1 1 A 108 108 GLN H H 108 8.563 8.599 -0.036 1
1 1324 . 2 1 1 A 108 108 GLN HA H 108 4.498 4.502 -0.004 1
1 1331 . 2 1 1 A 108 108 GLN C C 108 176.218 175.711 0.507 1
1 1332 . 2 1 1 A 108 108 GLN CA C 108 54.901 54.865 0.036 1
1 1333 . 2 1 1 A 108 108 GLN CB C 108 29.514 26.800 2.714 1
1 1336 . 2 1 1 A 108 108 GLN N N 108 122.641 123.183 -0.542 1
1 1338 . 2 1 1 A 109 109 LEU H H 109 8.853 8.260 0.593 1
1 1339 . 2 1 1 A 109 109 LEU HA H 109 4.330 4.121 0.209 1
1 1349 . 2 1 1 A 109 109 LEU C C 109 178.151 179.078 -0.927 1
1 1350 . 2 1 1 A 109 109 LEU CA C 109 56.522 57.683 -1.161 1
1 1351 . 2 1 1 A 109 109 LEU CB C 109 41.883 41.054 0.829 1
1 1355 . 2 1 1 A 109 109 LEU N N 109 125.974 124.973 1.001 1
1 1356 . 2 1 1 A 110 110 GLY H H 110 8.809 8.200 0.609 1
1 1357 . 2 1 1 A 110 110 GLY HA2 H 110 3.952 3.814 0.138 1
1 1358 . 2 1 1 A 110 110 GLY HA3 H 110 3.551 3.819 -0.268 1
1 1359 . 2 1 1 A 110 110 GLY C C 110 176.002 175.292 0.710 1
1 1360 . 2 1 1 A 110 110 GLY CA C 110 48.748 47.186 1.562 1
1 1361 . 2 1 1 A 110 110 GLY N N 110 109.442 106.099 3.343 1
1 1362 . 2 1 1 A 111 111 ASP H H 111 8.674 7.501 1.173 1
1 1363 . 2 1 1 A 111 111 ASP HA H 111 4.317 4.512 -0.195 1
1 1366 . 2 1 1 A 111 111 ASP C C 111 177.159 178.619 -1.460 1
1 1367 . 2 1 1 A 111 111 ASP CA C 111 56.239 56.671 -0.432 1
1 1368 . 2 1 1 A 111 111 ASP CB C 111 39.791 40.896 -1.105 1
1 1369 . 2 1 1 A 111 111 ASP N N 111 119.503 121.486 -1.983 1
1 1370 . 2 1 1 A 112 112 HIS H H 112 7.471 8.049 -0.578 1
1 1371 . 2 1 1 A 112 112 HIS HA H 112 4.481 4.188 0.293 1
1 1376 . 2 1 1 A 112 112 HIS C C 112 177.121 176.770 0.351 1
1 1377 . 2 1 1 A 112 112 HIS CA C 112 56.692 58.510 -1.818 1
1 1378 . 2 1 1 A 112 112 HIS CB C 112 31.648 30.431 1.217 1
1 1381 . 2 1 1 A 112 112 HIS N N 112 116.681 119.188 -2.507 1
1 1382 . 2 1 1 A 113 113 LEU H H 113 7.526 7.867 -0.341 1
1 1383 . 2 1 1 A 113 113 LEU HA H 113 4.148 4.119 0.029 1
1 1393 . 2 1 1 A 113 113 LEU C C 113 177.363 177.010 0.353 1
1 1394 . 2 1 1 A 113 113 LEU CA C 113 55.509 56.653 -1.144 1
1 1395 . 2 1 1 A 113 113 LEU CB C 113 42.009 42.619 -0.610 1
1 1399 . 2 1 1 A 113 113 LEU N N 113 118.976 118.991 -0.015 1
1 1400 . 2 1 1 A 114 114 ALA H H 114 7.648 7.696 -0.048 1
1 1401 . 2 1 1 A 114 114 ALA HA H 114 4.227 4.581 -0.354 1
1 1405 . 2 1 1 A 114 114 ALA C C 114 177.692 175.900 1.792 1
1 1406 . 2 1 1 A 114 114 ALA CA C 114 52.828 51.791 1.037 1
1 1407 . 2 1 1 A 114 114 ALA CB C 114 18.497 22.464 -3.967 1
1 1408 . 2 1 1 A 114 114 ALA N N 114 121.893 116.088 5.805 1
1 1409 . 2 1 1 A 115 115 LEU H H 115 7.764 8.632 -0.868 1
1 1410 . 2 1 1 A 115 115 LEU HA H 115 4.146 4.172 -0.026 1
1 1420 . 2 1 1 A 115 115 LEU C C 115 177.819 176.434 1.385 1
1 1421 . 2 1 1 A 115 115 LEU CA C 115 55.771 55.417 0.354 1
1 1422 . 2 1 1 A 115 115 LEU CB C 115 42.000 40.919 1.081 1
1 1426 . 2 1 1 A 115 115 LEU N N 115 119.576 124.684 -5.108 1
1 12 . 3 1 1 A 2 2 THR HA H 2 3.833 4.946 -1.113 1
1 17 . 3 1 1 A 2 2 THR C C 2 170.665 174.123 -3.458 1
1 18 . 3 1 1 A 2 2 THR CA C 2 62.154 60.861 1.293 1
1 19 . 3 1 1 A 2 2 THR CB C 2 69.580 70.337 -0.757 1
1 21 . 3 1 1 A 3 3 LEU H H 3 9.068 8.775 0.293 1
1 22 . 3 1 1 A 3 3 LEU HA H 3 4.887 5.143 -0.256 1
1 32 . 3 1 1 A 3 3 LEU C C 3 175.859 176.384 -0.525 1
1 33 . 3 1 1 A 3 3 LEU CA C 3 54.426 53.660 0.766 1
1 34 . 3 1 1 A 3 3 LEU CB C 3 43.222 45.379 -2.157 1
1 38 . 3 1 1 A 3 3 LEU N N 3 129.030 124.500 4.530 1
1 39 . 3 1 1 A 4 4 ILE H H 4 8.897 9.117 -0.220 1
1 40 . 3 1 1 A 4 4 ILE HA H 4 4.753 5.096 -0.343 1
1 50 . 3 1 1 A 4 4 ILE C C 4 174.211 173.980 0.231 1
1 51 . 3 1 1 A 4 4 ILE CA C 4 59.998 59.133 0.865 1
1 52 . 3 1 1 A 4 4 ILE CB C 4 41.129 40.277 0.852 1
1 56 . 3 1 1 A 4 4 ILE N N 4 115.702 120.779 -5.077 1
1 57 . 3 1 1 A 5 5 TYR H H 5 9.050 9.142 -0.092 1
1 58 . 3 1 1 A 5 5 TYR HA H 5 5.770 5.460 0.310 1
1 65 . 3 1 1 A 5 5 TYR C C 5 175.987 174.426 1.561 1
1 66 . 3 1 1 A 5 5 TYR CA C 5 57.923 56.160 1.763 1
1 67 . 3 1 1 A 5 5 TYR CB C 5 42.963 41.689 1.274 1
1 72 . 3 1 1 A 5 5 TYR N N 5 114.414 122.818 -8.404 1
1 73 . 3 1 1 A 6 6 LYS H H 6 8.858 8.806 0.052 1
1 74 . 3 1 1 A 6 6 LYS HA H 6 4.813 4.922 -0.109 1
1 83 . 3 1 1 A 6 6 LYS C C 6 172.801 175.115 -2.314 1
1 84 . 3 1 1 A 6 6 LYS CA C 6 52.969 54.731 -1.762 1
1 85 . 3 1 1 A 6 6 LYS CB C 6 37.109 35.974 1.135 1
1 89 . 3 1 1 A 6 6 LYS N N 6 121.597 123.013 -1.416 1
1 90 . 3 1 1 A 7 7 ILE H H 7 8.277 8.724 -0.447 1
1 91 . 3 1 1 A 7 7 ILE HA H 7 4.702 4.580 0.122 1
1 101 . 3 1 1 A 7 7 ILE C C 7 173.742 174.619 -0.877 1
1 102 . 3 1 1 A 7 7 ILE CA C 7 60.340 60.763 -0.423 1
1 103 . 3 1 1 A 7 7 ILE CB C 7 38.941 37.948 0.993 1
1 107 . 3 1 1 A 7 7 ILE N N 7 128.212 127.917 0.295 1
1 108 . 3 1 1 A 8 8 LEU H H 8 8.627 8.396 0.231 1
1 109 . 3 1 1 A 8 8 LEU HA H 8 4.757 4.836 -0.079 1
1 119 . 3 1 1 A 8 8 LEU C C 8 173.661 174.856 -1.195 1
1 120 . 3 1 1 A 8 8 LEU CA C 8 54.530 53.748 0.782 1
1 121 . 3 1 1 A 8 8 LEU CB C 8 43.617 44.816 -1.199 1
1 125 . 3 1 1 A 8 8 LEU N N 8 126.590 123.368 3.222 1
1 126 . 3 1 1 A 9 9 SER H H 9 8.546 8.696 -0.150 1
1 127 . 3 1 1 A 9 9 SER HA H 9 4.765 4.718 0.047 1
1 130 . 3 1 1 A 9 9 SER C C 9 175.160 175.615 -0.455 1
1 131 . 3 1 1 A 9 9 SER CA C 9 58.520 58.663 -0.143 1
1 132 . 3 1 1 A 9 9 SER CB C 9 65.227 63.750 1.477 1
1 133 . 3 1 1 A 9 9 SER N N 9 115.543 116.532 -0.989 1
1 134 . 3 1 1 A 10 10 ARG H H 10 9.080 9.081 -0.001 1
1 135 . 3 1 1 A 10 10 ARG HA H 10 4.037 4.092 -0.055 1
1 143 . 3 1 1 A 10 10 ARG C C 10 177.847 178.059 -0.212 1
1 144 . 3 1 1 A 10 10 ARG CA C 10 59.210 59.511 -0.301 1
1 145 . 3 1 1 A 10 10 ARG CB C 10 28.776 29.726 -0.950 1
1 148 . 3 1 1 A 10 10 ARG N N 10 123.688 124.989 -1.301 1
1 150 . 3 1 1 A 11 11 ALA H H 11 8.753 8.117 0.636 1
1 151 . 3 1 1 A 11 11 ALA HA H 11 4.248 4.072 0.176 1
1 155 . 3 1 1 A 11 11 ALA C C 11 181.848 179.706 2.142 1
1 156 . 3 1 1 A 11 11 ALA CA C 11 55.483 55.127 0.356 1
1 157 . 3 1 1 A 11 11 ALA CB C 11 18.209 18.289 -0.080 1
1 158 . 3 1 1 A 11 11 ALA N N 11 119.698 121.930 -2.232 1
1 159 . 3 1 1 A 12 12 GLU H H 12 7.957 7.690 0.267 1
1 160 . 3 1 1 A 12 12 GLU HA H 12 4.183 4.117 0.066 1
1 165 . 3 1 1 A 12 12 GLU C C 12 179.576 179.100 0.476 1
1 166 . 3 1 1 A 12 12 GLU CA C 12 59.103 59.199 -0.096 1
1 167 . 3 1 1 A 12 12 GLU CB C 12 31.077 29.760 1.317 1
1 169 . 3 1 1 A 12 12 GLU N N 12 118.210 118.439 -0.229 1
1 170 . 3 1 1 A 13 13 TRP H H 13 8.585 8.250 0.335 1
1 171 . 3 1 1 A 13 13 TRP HA H 13 4.937 4.258 0.679 1
1 180 . 3 1 1 A 13 13 TRP C C 13 176.827 178.689 -1.862 1
1 181 . 3 1 1 A 13 13 TRP CA C 13 57.845 60.867 -3.022 1
1 182 . 3 1 1 A 13 13 TRP CB C 13 31.010 29.389 1.621 1
1 188 . 3 1 1 A 13 13 TRP N N 13 123.646 122.612 1.034 1
1 190 . 3 1 1 A 14 14 ASP H H 14 9.260 8.592 0.668 1
1 191 . 3 1 1 A 14 14 ASP HA H 14 4.048 4.064 -0.016 1
1 194 . 3 1 1 A 14 14 ASP C C 14 180.120 178.533 1.587 1
1 195 . 3 1 1 A 14 14 ASP CA C 14 57.767 57.192 0.575 1
1 196 . 3 1 1 A 14 14 ASP CB C 14 39.467 40.169 -0.702 1
1 197 . 3 1 1 A 14 14 ASP N N 14 120.253 118.527 1.726 1
1 198 . 3 1 1 A 15 15 ALA H H 15 7.599 7.920 -0.321 1
1 199 . 3 1 1 A 15 15 ALA HA H 15 4.163 4.142 0.021 1
1 203 . 3 1 1 A 15 15 ALA C C 15 180.115 179.614 0.501 1
1 204 . 3 1 1 A 15 15 ALA CA C 15 55.016 54.977 0.039 1
1 205 . 3 1 1 A 15 15 ALA CB C 15 17.871 18.105 -0.234 1
1 206 . 3 1 1 A 15 15 ALA N N 15 122.164 122.530 -0.366 1
1 207 . 3 1 1 A 16 16 ALA H H 16 7.944 7.791 0.153 1
1 208 . 3 1 1 A 16 16 ALA HA H 16 4.334 4.092 0.242 1
1 212 . 3 1 1 A 16 16 ALA C C 16 180.101 179.802 0.299 1
1 213 . 3 1 1 A 16 16 ALA CA C 16 54.659 55.007 -0.348 1
1 214 . 3 1 1 A 16 16 ALA CB C 16 19.107 18.425 0.682 1
1 215 . 3 1 1 A 16 16 ALA N N 16 122.526 120.260 2.266 1
1 216 . 3 1 1 A 17 17 LYS H H 17 8.317 7.911 0.406 1
1 217 . 3 1 1 A 17 17 LYS HA H 17 3.462 3.747 -0.285 1
1 226 . 3 1 1 A 17 17 LYS C C 17 179.126 178.615 0.511 1
1 227 . 3 1 1 A 17 17 LYS CA C 17 60.077 58.551 1.526 1
1 228 . 3 1 1 A 17 17 LYS CB C 17 31.431 31.620 -0.189 1
1 232 . 3 1 1 A 17 17 LYS N N 17 117.572 118.517 -0.945 1
1 233 . 3 1 1 A 18 18 ALA H H 18 7.296 8.052 -0.756 1
1 234 . 3 1 1 A 18 18 ALA HA H 18 4.100 3.961 0.139 1
1 238 . 3 1 1 A 18 18 ALA C C 18 178.940 179.867 -0.927 1
1 239 . 3 1 1 A 18 18 ALA CA C 18 54.513 55.110 -0.597 1
1 240 . 3 1 1 A 18 18 ALA CB C 18 18.132 18.261 -0.129 1
1 241 . 3 1 1 A 18 18 ALA N N 18 119.644 122.082 -2.438 1
1 242 . 3 1 1 A 19 19 GLN H H 19 7.443 7.344 0.099 1
1 243 . 3 1 1 A 19 19 GLN HA H 19 4.535 4.164 0.371 1
1 250 . 3 1 1 A 19 19 GLN C C 19 176.607 176.316 0.291 1
1 251 . 3 1 1 A 19 19 GLN CA C 19 55.755 55.274 0.481 1
1 252 . 3 1 1 A 19 19 GLN CB C 19 30.075 28.237 1.838 1
1 255 . 3 1 1 A 19 19 GLN N N 19 113.538 112.437 1.101 1
1 257 . 3 1 1 A 20 20 GLY H H 20 8.277 9.243 -0.966 1
1 258 . 3 1 1 A 20 20 GLY HA2 H 20 4.450 3.826 0.624 1
1 259 . 3 1 1 A 20 20 GLY HA3 H 20 3.627 3.860 -0.233 1
1 260 . 3 1 1 A 20 20 GLY C C 20 174.006 173.430 0.576 1
1 261 . 3 1 1 A 20 20 GLY CA C 20 45.567 45.486 0.081 1
1 262 . 3 1 1 A 20 20 GLY N N 20 108.233 110.438 -2.205 1
1 263 . 3 1 1 A 21 21 ARG H H 21 7.786 7.328 0.458 1
1 264 . 3 1 1 A 21 21 ARG HA H 21 5.123 4.961 0.162 1
1 272 . 3 1 1 A 21 21 ARG C C 21 171.553 174.134 -2.581 1
1 273 . 3 1 1 A 21 21 ARG CA C 21 54.882 54.141 0.741 1
1 274 . 3 1 1 A 21 21 ARG CB C 21 32.114 33.270 -1.156 1
1 277 . 3 1 1 A 21 21 ARG N N 21 116.837 115.752 1.085 1
1 279 . 3 1 1 A 22 22 PHE H H 22 9.821 9.617 0.204 1
1 280 . 3 1 1 A 22 22 PHE HA H 22 5.185 4.999 0.186 1
1 285 . 3 1 1 A 22 22 PHE C C 22 173.825 174.983 -1.158 1
1 286 . 3 1 1 A 22 22 PHE CA C 22 54.913 56.398 -1.485 1
1 287 . 3 1 1 A 22 22 PHE CB C 22 41.568 40.121 1.447 1
1 290 . 3 1 1 A 22 22 PHE N N 22 121.680 124.279 -2.599 1
1 291 . 3 1 1 A 23 23 GLU H H 23 9.053 8.836 0.217 1
1 292 . 3 1 1 A 23 23 GLU HA H 23 3.893 4.227 -0.334 1
1 297 . 3 1 1 A 23 23 GLU C C 23 174.856 175.828 -0.972 1
1 298 . 3 1 1 A 23 23 GLU CA C 23 56.781 56.272 0.509 1
1 299 . 3 1 1 A 23 23 GLU CB C 23 29.990 30.203 -0.213 1
1 301 . 3 1 1 A 23 23 GLU N N 23 125.059 127.954 -2.895 1
1 302 . 3 1 1 A 24 24 GLY HA2 H 24 4.212 3.152 1.060 1
1 303 . 3 1 1 A 24 24 GLY HA3 H 24 3.112 3.693 -0.581 1
1 304 . 3 1 1 A 24 24 GLY C C 24 173.311 172.715 0.596 1
1 305 . 3 1 1 A 24 24 GLY CA C 24 45.104 43.683 1.421 1
1 306 . 3 1 1 A 25 25 SER H H 25 9.877 8.392 1.485 1
1 307 . 3 1 1 A 25 25 SER HA H 25 4.884 4.517 0.367 1
1 310 . 3 1 1 A 25 25 SER C C 25 173.788 175.772 -1.984 1
1 311 . 3 1 1 A 25 25 SER CA C 25 57.549 57.952 -0.403 1
1 312 . 3 1 1 A 25 25 SER CB C 25 65.383 64.440 0.943 1
1 313 . 3 1 1 A 25 25 SER N N 25 121.073 117.140 3.933 1
1 314 . 3 1 1 A 26 26 ALA H H 26 9.097 8.933 0.164 1
1 315 . 3 1 1 A 26 26 ALA HA H 26 3.964 3.934 0.030 1
1 319 . 3 1 1 A 26 26 ALA C C 26 181.102 179.854 1.248 1
1 320 . 3 1 1 A 26 26 ALA CA C 26 56.670 55.649 1.021 1
1 321 . 3 1 1 A 26 26 ALA CB C 26 17.927 18.132 -0.205 1
1 322 . 3 1 1 A 26 26 ALA N N 26 123.398 124.706 -1.308 1
1 323 . 3 1 1 A 27 27 VAL H H 27 7.928 8.026 -0.098 1
1 324 . 3 1 1 A 27 27 VAL HA H 27 3.593 3.515 0.078 1
1 332 . 3 1 1 A 27 27 VAL C C 27 176.628 177.359 -0.731 1
1 333 . 3 1 1 A 27 27 VAL CA C 27 65.257 66.494 -1.237 1
1 334 . 3 1 1 A 27 27 VAL CB C 27 31.688 31.653 0.035 1
1 337 . 3 1 1 A 27 27 VAL N N 27 117.697 118.031 -0.334 1
1 338 . 3 1 1 A 28 28 ASP H H 28 6.927 8.273 -1.346 1
1 339 . 3 1 1 A 28 28 ASP HA H 28 4.512 4.405 0.107 1
1 342 . 3 1 1 A 28 28 ASP C C 28 178.402 178.511 -0.109 1
1 343 . 3 1 1 A 28 28 ASP CA C 28 56.586 57.015 -0.429 1
1 344 . 3 1 1 A 28 28 ASP CB C 28 41.317 40.048 1.269 1
1 345 . 3 1 1 A 28 28 ASP N N 28 121.516 120.335 1.181 1
1 346 . 3 1 1 A 29 29 LEU H H 29 8.309 8.304 0.005 1
1 347 . 3 1 1 A 29 29 LEU HA H 29 3.764 3.885 -0.121 1
1 357 . 3 1 1 A 29 29 LEU C C 29 180.093 178.452 1.641 1
1 358 . 3 1 1 A 29 29 LEU CA C 29 57.091 57.504 -0.413 1
1 359 . 3 1 1 A 29 29 LEU CB C 29 41.418 41.120 0.298 1
1 363 . 3 1 1 A 29 29 LEU N N 29 118.648 121.078 -2.430 1
1 364 . 3 1 1 A 30 30 ALA H H 30 7.458 7.922 -0.464 1
1 365 . 3 1 1 A 30 30 ALA HA H 30 4.000 3.943 0.057 1
1 369 . 3 1 1 A 30 30 ALA C C 30 179.371 179.222 0.149 1
1 370 . 3 1 1 A 30 30 ALA CA C 30 54.526 55.182 -0.656 1
1 371 . 3 1 1 A 30 30 ALA CB C 30 18.102 17.969 0.133 1
1 372 . 3 1 1 A 30 30 ALA N N 30 120.814 120.080 0.734 1
1 373 . 3 1 1 A 31 31 ASP H H 31 7.682 7.835 -0.153 1
1 374 . 3 1 1 A 31 31 ASP HA H 31 4.410 4.486 -0.076 1
1 377 . 3 1 1 A 31 31 ASP C C 31 176.610 176.445 0.165 1
1 378 . 3 1 1 A 31 31 ASP CA C 31 55.271 54.357 0.914 1
1 379 . 3 1 1 A 31 31 ASP CB C 31 40.083 41.072 -0.989 1
1 380 . 3 1 1 A 31 31 ASP N N 31 117.191 116.019 1.172 1
1 381 . 3 1 1 A 32 32 GLY H H 32 7.909 8.648 -0.739 1
1 382 . 3 1 1 A 32 32 GLY HA2 H 32 4.090 3.368 0.722 1
1 383 . 3 1 1 A 32 32 GLY HA3 H 32 3.597 3.634 -0.037 1
1 384 . 3 1 1 A 32 32 GLY C C 32 173.168 173.145 0.023 1
1 385 . 3 1 1 A 32 32 GLY CA C 32 45.112 45.013 0.099 1
1 386 . 3 1 1 A 32 32 GLY N N 32 106.983 107.293 -0.310 1
1 387 . 3 1 1 A 33 33 PHE H H 33 7.233 7.530 -0.297 1
1 388 . 3 1 1 A 33 33 PHE HA H 33 4.212 4.947 -0.735 1
1 396 . 3 1 1 A 33 33 PHE C C 33 171.389 175.057 -3.668 1
1 397 . 3 1 1 A 33 33 PHE CA C 33 55.383 56.562 -1.179 1
1 398 . 3 1 1 A 33 33 PHE CB C 33 37.177 40.620 -3.443 1
1 404 . 3 1 1 A 33 33 PHE N N 33 115.364 118.239 -2.875 1
1 405 . 3 1 1 A 34 34 ILE H H 34 8.637 8.521 0.116 1
1 406 . 3 1 1 A 34 34 ILE HA H 34 3.817 3.922 -0.105 1
1 416 . 3 1 1 A 34 34 ILE C C 34 177.018 175.534 1.484 1
1 417 . 3 1 1 A 34 34 ILE CA C 34 60.724 62.943 -2.219 1
1 418 . 3 1 1 A 34 34 ILE CB C 34 39.266 37.359 1.907 1
1 422 . 3 1 1 A 34 34 ILE N N 34 114.086 125.535 -11.449 1
1 423 . 3 1 1 A 35 35 HIS H H 35 9.203 8.160 1.043 1
1 424 . 3 1 1 A 35 35 HIS HA H 35 4.448 5.600 -1.152 1
1 428 . 3 1 1 A 35 35 HIS C C 35 175.740 174.825 0.915 1
1 429 . 3 1 1 A 35 35 HIS CA C 35 57.757 53.962 3.795 1
1 430 . 3 1 1 A 35 35 HIS CB C 35 29.758 31.615 -1.857 1
1 432 . 3 1 1 A 35 35 HIS N N 35 127.988 124.844 3.144 1
1 433 . 3 1 1 A 36 36 LEU H H 36 8.454 9.255 -0.801 1
1 434 . 3 1 1 A 36 36 LEU HA H 36 5.190 5.066 0.124 1
1 444 . 3 1 1 A 36 36 LEU C C 36 174.813 176.270 -1.457 1
1 445 . 3 1 1 A 36 36 LEU CA C 36 56.019 53.428 2.591 1
1 446 . 3 1 1 A 36 36 LEU CB C 36 44.541 45.064 -0.523 1
1 450 . 3 1 1 A 36 36 LEU N N 36 126.075 125.918 0.157 1
1 451 . 3 1 1 A 37 37 SER H H 37 9.128 8.857 0.271 1
1 452 . 3 1 1 A 37 37 SER HA H 37 5.277 5.321 -0.044 1
1 455 . 3 1 1 A 37 37 SER C C 37 174.433 173.495 0.938 1
1 456 . 3 1 1 A 37 37 SER CA C 37 57.990 58.189 -0.199 1
1 457 . 3 1 1 A 37 37 SER CB C 37 66.778 64.253 2.525 1
1 458 . 3 1 1 A 37 37 SER N N 37 112.795 118.564 -5.769 1
1 459 . 3 1 1 A 38 38 ALA H H 38 9.665 8.684 0.981 1
1 460 . 3 1 1 A 38 38 ALA HA H 38 4.973 4.699 0.274 1
1 464 . 3 1 1 A 38 38 ALA C C 38 179.640 178.261 1.379 1
1 465 . 3 1 1 A 38 38 ALA CA C 38 52.303 53.255 -0.952 1
1 466 . 3 1 1 A 38 38 ALA CB C 38 19.350 19.323 0.027 1
1 467 . 3 1 1 A 38 38 ALA N N 38 127.103 128.258 -1.155 1
1 468 . 3 1 1 A 39 39 GLY H H 39 10.159 9.027 1.132 1
1 469 . 3 1 1 A 39 39 GLY HA2 H 39 4.249 3.810 0.439 1
1 470 . 3 1 1 A 39 39 GLY HA3 H 39 3.720 3.929 -0.209 1
1 471 . 3 1 1 A 39 39 GLY C C 39 176.229 175.559 0.670 1
1 472 . 3 1 1 A 39 39 GLY CA C 39 49.163 47.234 1.929 1
1 473 . 3 1 1 A 39 39 GLY N N 39 112.007 111.605 0.402 1
1 474 . 3 1 1 A 40 40 GLU H H 40 9.367 9.057 0.310 1
1 475 . 3 1 1 A 40 40 GLU HA H 40 4.234 4.052 0.182 1
1 480 . 3 1 1 A 40 40 GLU C C 40 176.417 178.584 -2.167 1
1 481 . 3 1 1 A 40 40 GLU CA C 40 58.622 59.042 -0.420 1
1 482 . 3 1 1 A 40 40 GLU CB C 40 28.796 29.133 -0.337 1
1 484 . 3 1 1 A 40 40 GLU N N 40 117.243 126.467 -9.224 1
1 485 . 3 1 1 A 41 41 GLN H H 41 7.503 7.785 -0.282 1
1 486 . 3 1 1 A 41 41 GLN HA H 41 4.752 4.116 0.636 1
1 493 . 3 1 1 A 41 41 GLN C C 41 177.730 178.589 -0.859 1
1 494 . 3 1 1 A 41 41 GLN CA C 41 55.626 58.766 -3.140 1
1 495 . 3 1 1 A 41 41 GLN CB C 41 30.653 28.235 2.418 1
1 498 . 3 1 1 A 41 41 GLN N N 41 115.837 118.992 -3.155 1
1 500 . 3 1 1 A 42 42 ALA H H 42 7.519 8.159 -0.640 1
1 501 . 3 1 1 A 42 42 ALA HA H 42 3.927 4.109 -0.182 1
1 505 . 3 1 1 A 42 42 ALA C C 42 177.826 179.206 -1.380 1
1 506 . 3 1 1 A 42 42 ALA CA C 42 56.706 55.418 1.288 1
1 507 . 3 1 1 A 42 42 ALA CB C 42 18.247 18.237 0.010 1
1 508 . 3 1 1 A 42 42 ALA N N 42 123.105 123.054 0.051 1
1 509 . 3 1 1 A 43 43 GLN H H 43 9.203 7.581 1.622 1
1 510 . 3 1 1 A 43 43 GLN HA H 43 3.942 3.937 0.005 1
1 517 . 3 1 1 A 43 43 GLN C C 43 177.913 178.010 -0.097 1
1 518 . 3 1 1 A 43 43 GLN CA C 43 58.678 59.392 -0.714 1
1 519 . 3 1 1 A 43 43 GLN CB C 43 28.815 28.342 0.473 1
1 522 . 3 1 1 A 43 43 GLN N N 43 118.650 117.773 0.877 1
1 524 . 3 1 1 A 44 44 GLU H H 44 8.611 8.153 0.458 1
1 525 . 3 1 1 A 44 44 GLU HA H 44 4.207 4.099 0.108 1
1 530 . 3 1 1 A 44 44 GLU C C 44 179.090 179.480 -0.390 1
1 531 . 3 1 1 A 44 44 GLU CA C 44 59.246 59.309 -0.063 1
1 532 . 3 1 1 A 44 44 GLU CB C 44 28.850 29.730 -0.880 1
1 534 . 3 1 1 A 44 44 GLU N N 44 122.042 119.657 2.385 1
1 535 . 3 1 1 A 45 45 THR H H 45 8.292 8.517 -0.225 1
1 536 . 3 1 1 A 45 45 THR HA H 45 4.123 4.114 0.009 1
1 541 . 3 1 1 A 45 45 THR C C 45 176.228 176.576 -0.348 1
1 542 . 3 1 1 A 45 45 THR CA C 45 66.902 66.268 0.634 1
1 543 . 3 1 1 A 45 45 THR CB C 45 68.949 68.804 0.145 1
1 545 . 3 1 1 A 45 45 THR N N 45 117.583 116.408 1.175 1
1 546 . 3 1 1 A 46 46 ALA H H 46 8.275 8.608 -0.333 1
1 547 . 3 1 1 A 46 46 ALA HA H 46 4.255 4.171 0.084 1
1 551 . 3 1 1 A 46 46 ALA C C 46 178.630 179.707 -1.077 1
1 552 . 3 1 1 A 46 46 ALA CA C 46 55.406 55.696 -0.290 1
1 553 . 3 1 1 A 46 46 ALA CB C 46 18.482 17.985 0.497 1
1 554 . 3 1 1 A 46 46 ALA N N 46 123.184 123.617 -0.433 1
1 555 . 3 1 1 A 47 47 ALA H H 47 8.066 7.616 0.450 1
1 556 . 3 1 1 A 47 47 ALA HA H 47 3.953 4.174 -0.221 1
1 560 . 3 1 1 A 47 47 ALA C C 47 178.552 178.493 0.059 1
1 561 . 3 1 1 A 47 47 ALA CA C 47 55.030 53.353 1.677 1
1 562 . 3 1 1 A 47 47 ALA CB C 47 18.899 18.858 0.041 1
1 563 . 3 1 1 A 47 47 ALA N N 47 117.129 120.139 -3.010 1
1 564 . 3 1 1 A 48 48 LYS H H 48 8.089 7.562 0.527 1
1 565 . 3 1 1 A 48 48 LYS HA H 48 3.936 4.085 -0.149 1
1 574 . 3 1 1 A 48 48 LYS C C 48 179.130 177.956 1.174 1
1 575 . 3 1 1 A 48 48 LYS CA C 48 58.560 57.992 0.568 1
1 576 . 3 1 1 A 48 48 LYS CB C 48 33.122 33.249 -0.127 1
1 580 . 3 1 1 A 48 48 LYS N N 48 115.322 116.042 -0.720 1
1 581 . 3 1 1 A 49 49 TRP H H 49 7.978 8.142 -0.164 1
1 582 . 3 1 1 A 49 49 TRP HA H 49 4.807 4.650 0.157 1
1 591 . 3 1 1 A 49 49 TRP C C 49 176.923 177.263 -0.340 1
1 592 . 3 1 1 A 49 49 TRP CA C 49 57.157 58.425 -1.268 1
1 593 . 3 1 1 A 49 49 TRP CB C 49 31.461 30.718 0.743 1
1 599 . 3 1 1 A 49 49 TRP N N 49 114.492 116.407 -1.915 1
1 601 . 3 1 1 A 50 50 PHE H H 50 7.740 7.653 0.087 1
1 602 . 3 1 1 A 50 50 PHE HA H 50 4.925 4.756 0.169 1
1 608 . 3 1 1 A 50 50 PHE C C 50 174.160 175.296 -1.136 1
1 609 . 3 1 1 A 50 50 PHE CA C 50 57.772 57.492 0.280 1
1 610 . 3 1 1 A 50 50 PHE CB C 50 39.610 38.702 0.908 1
1 614 . 3 1 1 A 50 50 PHE N N 50 116.540 116.283 0.257 1
1 615 . 3 1 1 A 51 51 ARG H H 51 7.389 7.644 -0.255 1
1 616 . 3 1 1 A 51 51 ARG HA H 51 4.198 4.366 -0.168 1
1 624 . 3 1 1 A 51 51 ARG C C 51 179.130 176.606 2.524 1
1 625 . 3 1 1 A 51 51 ARG CA C 51 58.224 56.042 2.182 1
1 626 . 3 1 1 A 51 51 ARG CB C 51 30.032 30.889 -0.857 1
1 629 . 3 1 1 A 51 51 ARG N N 51 119.136 117.775 1.361 1
1 631 . 3 1 1 A 52 52 GLY H H 52 10.264 8.953 1.311 1
1 632 . 3 1 1 A 52 52 GLY HA2 H 52 4.180 3.904 0.276 1
1 633 . 3 1 1 A 52 52 GLY HA3 H 52 3.745 3.907 -0.162 1
1 634 . 3 1 1 A 52 52 GLY C C 52 173.980 174.393 -0.413 1
1 635 . 3 1 1 A 52 52 GLY CA C 52 45.517 46.158 -0.641 1
1 636 . 3 1 1 A 52 52 GLY N N 52 114.192 110.811 3.381 1
1 637 . 3 1 1 A 53 53 GLN H H 53 7.597 7.990 -0.393 1
1 638 . 3 1 1 A 53 53 GLN HA H 53 4.437 4.624 -0.187 1
1 645 . 3 1 1 A 53 53 GLN C C 53 172.934 175.495 -2.561 1
1 646 . 3 1 1 A 53 53 GLN CA C 53 56.280 54.658 1.622 1
1 647 . 3 1 1 A 53 53 GLN CB C 53 29.123 30.355 -1.232 1
1 650 . 3 1 1 A 53 53 GLN N N 53 120.438 119.134 1.304 1
1 652 . 3 1 1 A 54 54 ALA H H 54 8.190 8.630 -0.440 1
1 653 . 3 1 1 A 54 54 ALA HA H 54 4.344 4.487 -0.143 1
1 657 . 3 1 1 A 54 54 ALA C C 54 177.278 177.448 -0.170 1
1 658 . 3 1 1 A 54 54 ALA CA C 54 51.377 51.620 -0.243 1
1 659 . 3 1 1 A 54 54 ALA CB C 54 20.525 19.753 0.772 1
1 660 . 3 1 1 A 54 54 ALA N N 54 124.528 125.740 -1.212 1
1 661 . 3 1 1 A 55 55 ASN H H 55 8.903 8.776 0.127 1
1 662 . 3 1 1 A 55 55 ASN HA H 55 4.598 4.314 0.284 1
1 667 . 3 1 1 A 55 55 ASN C C 55 174.075 174.305 -0.230 1
1 668 . 3 1 1 A 55 55 ASN CA C 55 53.986 53.945 0.041 1
1 669 . 3 1 1 A 55 55 ASN CB C 55 37.654 37.234 0.420 1
1 671 . 3 1 1 A 55 55 ASN N N 55 113.776 116.777 -3.001 1
1 673 . 3 1 1 A 56 56 LEU H H 56 8.543 7.821 0.722 1
1 674 . 3 1 1 A 56 56 LEU HA H 56 4.677 4.936 -0.259 1
1 684 . 3 1 1 A 56 56 LEU C C 56 176.806 175.571 1.235 1
1 685 . 3 1 1 A 56 56 LEU CA C 56 54.383 53.376 1.007 1
1 686 . 3 1 1 A 56 56 LEU CB C 56 45.328 44.145 1.183 1
1 690 . 3 1 1 A 56 56 LEU N N 56 117.411 120.512 -3.101 1
1 691 . 3 1 1 A 57 57 VAL H H 57 9.207 8.950 0.257 1
1 692 . 3 1 1 A 57 57 VAL HA H 57 4.633 4.734 -0.101 1
1 700 . 3 1 1 A 57 57 VAL C C 57 172.465 173.995 -1.530 1
1 701 . 3 1 1 A 57 57 VAL CA C 57 59.970 60.636 -0.666 1
1 702 . 3 1 1 A 57 57 VAL CB C 57 35.376 35.584 -0.208 1
1 705 . 3 1 1 A 57 57 VAL N N 57 121.448 121.927 -0.479 1
1 706 . 3 1 1 A 58 58 LEU H H 58 8.855 9.033 -0.178 1
1 707 . 3 1 1 A 58 58 LEU HA H 58 4.763 4.978 -0.215 1
1 717 . 3 1 1 A 58 58 LEU C C 58 175.349 174.793 0.556 1
1 718 . 3 1 1 A 58 58 LEU CA C 58 52.286 53.379 -1.093 1
1 719 . 3 1 1 A 58 58 LEU CB C 58 46.390 44.410 1.980 1
1 723 . 3 1 1 A 58 58 LEU N N 58 124.476 129.096 -4.620 1
1 724 . 3 1 1 A 59 59 LEU H H 59 9.265 8.826 0.439 1
1 725 . 3 1 1 A 59 59 LEU HA H 59 4.714 4.372 0.342 1
1 735 . 3 1 1 A 59 59 LEU C C 59 175.262 175.504 -0.242 1
1 736 . 3 1 1 A 59 59 LEU CA C 59 52.753 54.271 -1.518 1
1 737 . 3 1 1 A 59 59 LEU CB C 59 42.431 40.765 1.666 1
1 741 . 3 1 1 A 59 59 LEU N N 59 125.973 128.288 -2.315 1
1 742 . 3 1 1 A 60 60 ALA H H 60 8.331 8.558 -0.227 1
1 743 . 3 1 1 A 60 60 ALA HA H 60 4.739 5.138 -0.399 1
1 747 . 3 1 1 A 60 60 ALA C C 60 175.631 176.072 -0.441 1
1 748 . 3 1 1 A 60 60 ALA CA C 60 50.320 50.055 0.265 1
1 749 . 3 1 1 A 60 60 ALA CB C 60 21.744 20.538 1.206 1
1 750 . 3 1 1 A 60 60 ALA N N 60 124.617 128.197 -3.580 1
1 751 . 3 1 1 A 61 61 VAL H H 61 8.944 8.687 0.257 1
1 752 . 3 1 1 A 61 61 VAL HA H 61 4.244 4.886 -0.642 1
1 760 . 3 1 1 A 61 61 VAL C C 61 174.674 175.128 -0.454 1
1 761 . 3 1 1 A 61 61 VAL CA C 61 60.770 60.186 0.584 1
1 762 . 3 1 1 A 61 61 VAL CB C 61 36.636 35.489 1.147 1
1 765 . 3 1 1 A 61 61 VAL N N 61 124.079 122.714 1.365 1
1 766 . 3 1 1 A 62 62 GLU H H 62 8.490 8.415 0.075 1
1 767 . 3 1 1 A 62 62 GLU HA H 62 4.551 4.335 0.216 1
1 772 . 3 1 1 A 62 62 GLU C C 62 177.700 177.797 -0.097 1
1 773 . 3 1 1 A 62 62 GLU CA C 62 56.879 56.921 -0.042 1
1 774 . 3 1 1 A 62 62 GLU CB C 62 29.372 29.877 -0.505 1
1 776 . 3 1 1 A 62 62 GLU N N 62 127.752 126.384 1.368 1
1 777 . 3 1 1 A 63 63 ALA H H 63 9.173 9.171 0.002 1
1 778 . 3 1 1 A 63 63 ALA HA H 63 3.991 4.517 -0.526 1
1 782 . 3 1 1 A 63 63 ALA C C 63 180.311 177.534 2.777 1
1 783 . 3 1 1 A 63 63 ALA CA C 63 54.850 52.289 2.561 1
1 784 . 3 1 1 A 63 63 ALA CB C 63 19.495 18.915 0.580 1
1 785 . 3 1 1 A 63 63 ALA N N 63 127.466 129.487 -2.021 1
1 786 . 3 1 1 A 64 64 GLU H H 64 9.571 7.643 1.928 1
1 787 . 3 1 1 A 64 64 GLU HA H 64 4.146 4.494 -0.348 1
1 792 . 3 1 1 A 64 64 GLU C C 64 177.102 175.369 1.733 1
1 793 . 3 1 1 A 64 64 GLU CA C 64 63.532 54.334 9.198 1
1 794 . 3 1 1 A 64 64 GLU CB C 64 25.742 30.738 -4.996 1
1 796 . 3 1 1 A 64 64 GLU N N 64 120.368 120.775 -0.407 1
1 797 . 3 1 1 A 65 65 PRO HA H 65 4.440 4.489 -0.049 1
1 804 . 3 1 1 A 65 65 PRO C C 65 177.332 177.966 -0.634 1
1 805 . 3 1 1 A 65 65 PRO CA C 65 64.973 62.992 1.981 1
1 806 . 3 1 1 A 65 65 PRO CB C 65 31.341 30.745 0.596 1
1 809 . 3 1 1 A 66 66 LEU H H 66 7.412 8.794 -1.382 1
1 810 . 3 1 1 A 66 66 LEU HA H 66 4.023 4.076 -0.053 1
1 820 . 3 1 1 A 66 66 LEU C C 66 178.533 177.179 1.354 1
1 821 . 3 1 1 A 66 66 LEU CA C 66 55.861 57.888 -2.027 1
1 822 . 3 1 1 A 66 66 LEU CB C 66 41.349 42.023 -0.674 1
1 826 . 3 1 1 A 66 66 LEU N N 66 114.991 123.672 -8.681 1
1 827 . 3 1 1 A 67 67 GLY H H 67 7.733 7.503 0.230 1
1 828 . 3 1 1 A 67 67 GLY HA2 H 67 4.018 4.097 -0.079 1
1 829 . 3 1 1 A 67 67 GLY HA3 H 67 3.909 4.098 -0.189 1
1 830 . 3 1 1 A 67 67 GLY C C 67 175.925 174.352 1.573 1
1 831 . 3 1 1 A 67 67 GLY CA C 67 46.054 46.057 -0.003 1
1 832 . 3 1 1 A 67 67 GLY N N 67 104.242 104.152 0.090 1
1 833 . 3 1 1 A 68 68 GLU H H 68 8.887 8.647 0.240 1
1 834 . 3 1 1 A 68 68 GLU HA H 68 4.219 4.356 -0.137 1
1 839 . 3 1 1 A 68 68 GLU C C 68 176.314 177.516 -1.202 1
1 840 . 3 1 1 A 68 68 GLU CA C 68 57.652 56.365 1.287 1
1 841 . 3 1 1 A 68 68 GLU CB C 68 29.306 29.706 -0.400 1
1 843 . 3 1 1 A 68 68 GLU N N 68 121.253 124.612 -3.359 1
1 844 . 3 1 1 A 69 69 ASP H H 69 7.630 8.145 -0.515 1
1 845 . 3 1 1 A 69 69 ASP HA H 69 4.587 4.496 0.091 1
1 848 . 3 1 1 A 69 69 ASP C C 69 174.665 176.089 -1.424 1
1 849 . 3 1 1 A 69 69 ASP CA C 69 56.078 56.902 -0.824 1
1 850 . 3 1 1 A 69 69 ASP CB C 69 41.572 40.577 0.995 1
1 851 . 3 1 1 A 69 69 ASP N N 69 116.486 118.494 -2.008 1
1 852 . 3 1 1 A 70 70 LEU H H 70 7.433 7.451 -0.018 1
1 853 . 3 1 1 A 70 70 LEU HA H 70 4.854 4.490 0.364 1
1 863 . 3 1 1 A 70 70 LEU C C 70 174.259 175.573 -1.314 1
1 864 . 3 1 1 A 70 70 LEU CA C 70 53.281 54.637 -1.356 1
1 865 . 3 1 1 A 70 70 LEU CB C 70 43.024 43.096 -0.072 1
1 869 . 3 1 1 A 70 70 LEU N N 70 121.585 120.437 1.148 1
1 870 . 3 1 1 A 71 71 LYS H H 71 9.114 8.994 0.120 1
1 871 . 3 1 1 A 71 71 LYS HA H 71 4.724 4.934 -0.210 1
1 880 . 3 1 1 A 71 71 LYS C C 71 175.146 175.296 -0.150 1
1 881 . 3 1 1 A 71 71 LYS CA C 71 54.024 54.526 -0.502 1
1 882 . 3 1 1 A 71 71 LYS CB C 71 35.469 34.765 0.704 1
1 886 . 3 1 1 A 71 71 LYS N N 71 126.179 127.527 -1.348 1
1 887 . 3 1 1 A 72 72 TRP H H 72 8.981 8.908 0.073 1
1 888 . 3 1 1 A 72 72 TRP HA H 72 4.720 4.820 -0.100 1
1 897 . 3 1 1 A 72 72 TRP C C 72 176.394 175.532 0.862 1
1 898 . 3 1 1 A 72 72 TRP CA C 72 55.876 57.515 -1.639 1
1 899 . 3 1 1 A 72 72 TRP CB C 72 27.789 28.822 -1.033 1
1 905 . 3 1 1 A 72 72 TRP N N 72 125.904 128.477 -2.573 1
1 907 . 3 1 1 A 73 73 GLU H H 73 8.558 8.736 -0.178 1
1 908 . 3 1 1 A 73 73 GLU HA H 73 4.762 4.866 -0.104 1
1 913 . 3 1 1 A 73 73 GLU C C 73 175.459 175.524 -0.065 1
1 914 . 3 1 1 A 73 73 GLU CA C 73 55.208 55.273 -0.065 1
1 915 . 3 1 1 A 73 73 GLU CB C 73 32.615 31.348 1.267 1
1 917 . 3 1 1 A 73 73 GLU N N 73 123.290 126.077 -2.787 1
1 918 . 3 1 1 A 74 74 ALA H H 74 8.962 8.817 0.145 1
1 919 . 3 1 1 A 74 74 ALA HA H 74 4.738 4.979 -0.241 1
1 923 . 3 1 1 A 74 74 ALA C C 74 177.803 176.456 1.347 1
1 924 . 3 1 1 A 74 74 ALA CA C 74 52.246 51.478 0.768 1
1 925 . 3 1 1 A 74 74 ALA CB C 74 20.070 18.059 2.011 1
1 926 . 3 1 1 A 74 74 ALA N N 74 127.315 129.242 -1.927 1
1 927 . 3 1 1 A 75 75 SER H H 75 8.762 8.370 0.392 1
1 928 . 3 1 1 A 75 75 SER HA H 75 4.850 4.310 0.540 1
1 931 . 3 1 1 A 75 75 SER C C 75 176.080 175.384 0.696 1
1 932 . 3 1 1 A 75 75 SER CA C 75 56.954 60.085 -3.131 1
1 933 . 3 1 1 A 75 75 SER CB C 75 65.244 62.975 2.269 1
1 934 . 3 1 1 A 75 75 SER N N 75 117.745 119.794 -2.049 1
1 935 . 3 1 1 A 76 76 ARG HA H 76 4.193 4.176 0.017 1
1 943 . 3 1 1 A 76 76 ARG CA C 76 58.895 58.420 0.475 1
1 944 . 3 1 1 A 76 76 ARG CB C 76 29.877 29.966 -0.089 1
1 947 . 3 1 1 A 77 77 GLY C C 77 175.277 175.079 0.198 1
1 948 . 3 1 1 A 78 78 GLY H H 78 8.045 8.683 -0.638 1
1 949 . 3 1 1 A 78 78 GLY HA2 H 78 4.390 3.882 0.508 1
1 950 . 3 1 1 A 78 78 GLY HA3 H 78 3.786 3.891 -0.105 1
1 951 . 3 1 1 A 78 78 GLY C C 78 173.503 173.824 -0.321 1
1 952 . 3 1 1 A 78 78 GLY CA C 78 45.296 45.965 -0.669 1
1 953 . 3 1 1 A 78 78 GLY N N 78 110.323 108.251 2.072 1
1 954 . 3 1 1 A 79 79 ALA H H 79 7.879 7.862 0.017 1
1 955 . 3 1 1 A 79 79 ALA HA H 79 4.357 4.586 -0.229 1
1 959 . 3 1 1 A 79 79 ALA C C 79 176.674 176.218 0.456 1
1 960 . 3 1 1 A 79 79 ALA CA C 79 52.151 51.127 1.024 1
1 961 . 3 1 1 A 79 79 ALA CB C 79 20.171 19.942 0.229 1
1 962 . 3 1 1 A 79 79 ALA N N 79 123.865 123.661 0.204 1
1 963 . 3 1 1 A 80 80 ARG H H 80 8.375 8.648 -0.273 1
1 964 . 3 1 1 A 80 80 ARG HA H 80 4.629 4.606 0.023 1
1 972 . 3 1 1 A 80 80 ARG C C 80 175.713 174.772 0.941 1
1 973 . 3 1 1 A 80 80 ARG CA C 80 55.622 55.359 0.263 1
1 974 . 3 1 1 A 80 80 ARG CB C 80 32.074 29.818 2.256 1
1 977 . 3 1 1 A 80 80 ARG N N 80 119.145 123.998 -4.853 1
1 979 . 3 1 1 A 81 81 PHE H H 81 8.722 8.765 -0.043 1
1 980 . 3 1 1 A 81 81 PHE HA H 81 5.156 5.094 0.062 1
1 988 . 3 1 1 A 81 81 PHE C C 81 172.806 173.779 -0.973 1
1 989 . 3 1 1 A 81 81 PHE CA C 81 54.950 54.946 0.004 1
1 990 . 3 1 1 A 81 81 PHE CB C 81 42.240 39.854 2.386 1
1 996 . 3 1 1 A 81 81 PHE N N 81 123.774 124.223 -0.449 1
1 997 . 3 1 1 A 82 82 PRO HA H 82 3.635 4.460 -0.825 1
1 1004 . 3 1 1 A 82 82 PRO C C 82 174.511 175.987 -1.476 1
1 1005 . 3 1 1 A 82 82 PRO CA C 82 61.347 62.877 -1.530 1
1 1006 . 3 1 1 A 82 82 PRO CB C 82 29.495 31.480 -1.985 1
1 1009 . 3 1 1 A 83 83 HIS H H 83 8.831 9.151 -0.320 1
1 1010 . 3 1 1 A 83 83 HIS HA H 83 5.330 5.226 0.104 1
1 1014 . 3 1 1 A 83 83 HIS C C 83 172.952 174.519 -1.567 1
1 1015 . 3 1 1 A 83 83 HIS CA C 83 50.700 54.994 -4.294 1
1 1016 . 3 1 1 A 83 83 HIS CB C 83 33.238 32.132 1.106 1
1 1018 . 3 1 1 A 83 83 HIS N N 83 124.483 123.850 0.633 1
1 1019 . 3 1 1 A 84 84 LEU H H 84 9.063 9.342 -0.279 1
1 1020 . 3 1 1 A 84 84 LEU HA H 84 5.163 4.744 0.419 1
1 1030 . 3 1 1 A 84 84 LEU C C 84 176.699 176.643 0.056 1
1 1031 . 3 1 1 A 84 84 LEU CA C 84 53.829 54.134 -0.305 1
1 1032 . 3 1 1 A 84 84 LEU CB C 84 45.366 41.496 3.870 1
1 1036 . 3 1 1 A 84 84 LEU N N 84 125.218 125.555 -0.337 1
1 1037 . 3 1 1 A 85 85 TYR H H 85 9.058 9.345 -0.287 1
1 1038 . 3 1 1 A 85 85 TYR HA H 85 4.508 5.033 -0.525 1
1 1045 . 3 1 1 A 85 85 TYR C C 85 173.624 175.613 -1.989 1
1 1046 . 3 1 1 A 85 85 TYR CA C 85 60.034 58.525 1.509 1
1 1047 . 3 1 1 A 85 85 TYR CB C 85 36.073 38.556 -2.483 1
1 1052 . 3 1 1 A 85 85 TYR N N 85 131.339 124.888 6.451 1
1 1053 . 3 1 1 A 86 86 ARG H H 86 7.432 7.836 -0.404 1
1 1054 . 3 1 1 A 86 86 ARG HA H 86 4.682 5.021 -0.339 1
1 1062 . 3 1 1 A 86 86 ARG C C 86 171.917 174.047 -2.130 1
1 1063 . 3 1 1 A 86 86 ARG CA C 86 54.953 53.774 1.179 1
1 1064 . 3 1 1 A 86 86 ARG CB C 86 28.209 33.014 -4.805 1
1 1067 . 3 1 1 A 86 86 ARG N N 86 114.399 117.815 -3.416 1
1 1069 . 3 1 1 A 87 87 PRO HA H 87 4.303 4.447 -0.144 1
1 1076 . 3 1 1 A 87 87 PRO C C 87 175.771 175.809 -0.038 1
1 1077 . 3 1 1 A 87 87 PRO CA C 87 63.497 63.019 0.478 1
1 1078 . 3 1 1 A 87 87 PRO CB C 87 32.253 32.321 -0.068 1
1 1081 . 3 1 1 A 88 88 LEU H H 88 8.095 8.458 -0.363 1
1 1082 . 3 1 1 A 88 88 LEU HA H 88 4.286 4.805 -0.519 1
1 1092 . 3 1 1 A 88 88 LEU C C 88 175.946 175.546 0.400 1
1 1093 . 3 1 1 A 88 88 LEU CA C 88 53.675 53.809 -0.134 1
1 1094 . 3 1 1 A 88 88 LEU CB C 88 45.548 43.778 1.770 1
1 1098 . 3 1 1 A 88 88 LEU N N 88 125.942 123.104 2.838 1
1 1099 . 3 1 1 A 89 89 LEU H H 89 9.224 8.613 0.611 1
1 1100 . 3 1 1 A 89 89 LEU HA H 89 4.561 4.336 0.225 1
1 1110 . 3 1 1 A 89 89 LEU C C 89 179.295 179.275 0.020 1
1 1111 . 3 1 1 A 89 89 LEU CA C 89 55.212 55.393 -0.181 1
1 1112 . 3 1 1 A 89 89 LEU CB C 89 41.460 41.826 -0.366 1
1 1116 . 3 1 1 A 89 89 LEU N N 89 128.295 128.469 -0.174 1
1 1117 . 3 1 1 A 90 90 VAL H H 90 7.665 8.700 -1.035 1
1 1118 . 3 1 1 A 90 90 VAL HA H 90 3.785 3.775 0.010 1
1 1126 . 3 1 1 A 90 90 VAL C C 90 178.510 177.257 1.253 1
1 1127 . 3 1 1 A 90 90 VAL CA C 90 66.833 65.545 1.288 1
1 1128 . 3 1 1 A 90 90 VAL CB C 90 31.330 31.287 0.043 1
1 1131 . 3 1 1 A 90 90 VAL N N 90 122.696 127.129 -4.433 1
1 1132 . 3 1 1 A 91 91 SER H H 91 8.134 8.181 -0.047 1
1 1133 . 3 1 1 A 91 91 SER HA H 91 4.280 4.288 -0.008 1
1 1136 . 3 1 1 A 91 91 SER C C 91 175.328 175.431 -0.103 1
1 1137 . 3 1 1 A 91 91 SER CA C 91 59.822 61.599 -1.777 1
1 1138 . 3 1 1 A 91 91 SER CB C 91 62.512 63.166 -0.654 1
1 1139 . 3 1 1 A 91 91 SER N N 91 112.443 117.030 -4.587 1
1 1140 . 3 1 1 A 92 92 GLU H H 92 7.598 8.187 -0.589 1
1 1141 . 3 1 1 A 92 92 GLU HA H 92 4.221 4.182 0.039 1
1 1146 . 3 1 1 A 92 92 GLU C C 92 175.722 176.970 -1.248 1
1 1147 . 3 1 1 A 92 92 GLU CA C 92 56.594 58.550 -1.956 1
1 1148 . 3 1 1 A 92 92 GLU CB C 92 29.511 29.625 -0.114 1
1 1150 . 3 1 1 A 92 92 GLU N N 92 120.359 120.967 -0.608 1
1 1151 . 3 1 1 A 93 93 VAL H H 93 7.486 7.318 0.168 1
1 1152 . 3 1 1 A 93 93 VAL HA H 93 4.046 4.032 0.014 1
1 1160 . 3 1 1 A 93 93 VAL C C 93 176.093 175.945 0.148 1
1 1161 . 3 1 1 A 93 93 VAL CA C 93 63.242 63.459 -0.217 1
1 1162 . 3 1 1 A 93 93 VAL CB C 93 32.306 31.810 0.496 1
1 1165 . 3 1 1 A 93 93 VAL N N 93 121.222 120.235 0.987 1
1 1166 . 3 1 1 A 94 94 THR H H 94 9.003 8.798 0.205 1
1 1167 . 3 1 1 A 94 94 THR HA H 94 4.264 4.005 0.259 1
1 1172 . 3 1 1 A 94 94 THR C C 94 174.664 174.650 0.014 1
1 1173 . 3 1 1 A 94 94 THR CA C 94 64.438 65.733 -1.295 1
1 1174 . 3 1 1 A 94 94 THR CB C 94 69.317 68.717 0.600 1
1 1176 . 3 1 1 A 94 94 THR N N 94 124.794 122.910 1.884 1
1 1177 . 3 1 1 A 95 95 ARG H H 95 7.514 7.306 0.208 1
1 1178 . 3 1 1 A 95 95 ARG HA H 95 4.646 4.641 0.005 1
1 1186 . 3 1 1 A 95 95 ARG C C 95 172.989 173.692 -0.703 1
1 1187 . 3 1 1 A 95 95 ARG CA C 95 55.872 55.678 0.194 1
1 1188 . 3 1 1 A 95 95 ARG CB C 95 33.789 33.831 -0.042 1
1 1191 . 3 1 1 A 95 95 ARG N N 95 118.660 117.939 0.721 1
1 1193 . 3 1 1 A 96 96 GLU H H 96 8.545 8.691 -0.146 1
1 1194 . 3 1 1 A 96 96 GLU HA H 96 5.329 4.570 0.759 1
1 1199 . 3 1 1 A 96 96 GLU C C 96 174.480 175.438 -0.958 1
1 1200 . 3 1 1 A 96 96 GLU CA C 96 53.415 55.297 -1.882 1
1 1201 . 3 1 1 A 96 96 GLU CB C 96 33.592 29.787 3.805 1
1 1203 . 3 1 1 A 96 96 GLU N N 96 121.828 123.641 -1.813 1
1 1204 . 3 1 1 A 97 97 ALA H H 97 8.276 8.425 -0.149 1
1 1205 . 3 1 1 A 97 97 ALA HA H 97 4.537 4.376 0.161 1
1 1209 . 3 1 1 A 97 97 ALA C C 97 175.233 177.435 -2.202 1
1 1210 . 3 1 1 A 97 97 ALA CA C 97 51.368 51.866 -0.498 1
1 1211 . 3 1 1 A 97 97 ALA CB C 97 22.101 19.388 2.713 1
1 1212 . 3 1 1 A 97 97 ALA N N 97 123.211 128.376 -5.165 1
1 1213 . 3 1 1 A 98 98 ASP H H 98 8.399 8.561 -0.162 1
1 1214 . 3 1 1 A 98 98 ASP HA H 98 4.850 4.815 0.035 1
1 1217 . 3 1 1 A 98 98 ASP C C 98 176.085 175.702 0.383 1
1 1218 . 3 1 1 A 98 98 ASP CA C 98 54.824 54.984 -0.160 1
1 1219 . 3 1 1 A 98 98 ASP CB C 98 41.694 41.671 0.023 1
1 1220 . 3 1 1 A 98 98 ASP N N 98 122.093 121.643 0.450 1
1 1221 . 3 1 1 A 99 99 LEU H H 99 7.854 8.661 -0.807 1
1 1222 . 3 1 1 A 99 99 LEU HA H 99 4.766 5.045 -0.279 1
1 1232 . 3 1 1 A 99 99 LEU C C 99 176.250 173.749 2.501 1
1 1233 . 3 1 1 A 99 99 LEU CA C 99 53.544 54.037 -0.493 1
1 1234 . 3 1 1 A 99 99 LEU CB C 99 44.229 46.103 -1.874 1
1 1238 . 3 1 1 A 99 99 LEU N N 99 120.272 123.293 -3.021 1
1 1239 . 3 1 1 A 100 100 ASP H H 100 9.215 9.050 0.165 1
1 1240 . 3 1 1 A 100 100 ASP HA H 100 4.935 5.257 -0.322 1
1 1243 . 3 1 1 A 100 100 ASP C C 100 174.956 174.479 0.477 1
1 1244 . 3 1 1 A 100 100 ASP CA C 100 52.684 52.744 -0.060 1
1 1245 . 3 1 1 A 100 100 ASP CB C 100 43.362 44.558 -1.196 1
1 1246 . 3 1 1 A 100 100 ASP N N 100 123.325 125.508 -2.183 1
1 1247 . 3 1 1 A 101 101 LEU H H 101 8.526 8.803 -0.277 1
1 1248 . 3 1 1 A 101 101 LEU HA H 101 4.639 5.047 -0.408 1
1 1258 . 3 1 1 A 101 101 LEU C C 101 178.204 176.267 1.937 1
1 1259 . 3 1 1 A 101 101 LEU CA C 101 53.490 53.404 0.086 1
1 1260 . 3 1 1 A 101 101 LEU CB C 101 44.374 44.672 -0.298 1
1 1264 . 3 1 1 A 101 101 LEU N N 101 118.539 121.793 -3.254 1
1 1265 . 3 1 1 A 102 102 ASP H H 102 8.029 8.437 -0.408 1
1 1266 . 3 1 1 A 102 102 ASP HA H 102 4.615 4.894 -0.279 1
1 1269 . 3 1 1 A 102 102 ASP C C 102 178.176 178.275 -0.099 1
1 1270 . 3 1 1 A 102 102 ASP CA C 102 52.297 52.218 0.079 1
1 1271 . 3 1 1 A 102 102 ASP CB C 102 41.108 41.659 -0.551 1
1 1272 . 3 1 1 A 102 102 ASP N N 102 121.008 121.682 -0.674 1
1 1273 . 3 1 1 A 103 103 ALA H H 103 8.384 8.556 -0.172 1
1 1274 . 3 1 1 A 103 103 ALA HA H 103 4.099 4.019 0.080 1
1 1278 . 3 1 1 A 103 103 ALA C C 103 178.527 177.940 0.587 1
1 1279 . 3 1 1 A 103 103 ALA CA C 103 54.648 54.760 -0.112 1
1 1280 . 3 1 1 A 103 103 ALA CB C 103 18.604 18.419 0.185 1
1 1281 . 3 1 1 A 103 103 ALA N N 103 120.139 120.602 -0.463 1
1 1282 . 3 1 1 A 104 104 ASP H H 104 8.033 7.966 0.067 1
1 1283 . 3 1 1 A 104 104 ASP HA H 104 4.811 4.646 0.165 1
1 1286 . 3 1 1 A 104 104 ASP C C 104 176.113 176.852 -0.739 1
1 1287 . 3 1 1 A 104 104 ASP CA C 104 54.077 54.084 -0.007 1
1 1288 . 3 1 1 A 104 104 ASP CB C 104 41.899 41.655 0.244 1
1 1289 . 3 1 1 A 104 104 ASP N N 104 116.590 116.725 -0.135 1
1 1290 . 3 1 1 A 105 105 GLY H H 105 8.196 7.837 0.359 1
1 1291 . 3 1 1 A 105 105 GLY HA2 H 105 4.293 3.912 0.381 1
1 1292 . 3 1 1 A 105 105 GLY HA3 H 105 3.657 3.912 -0.255 1
1 1293 . 3 1 1 A 105 105 GLY C C 105 173.635 174.553 -0.918 1
1 1294 . 3 1 1 A 105 105 GLY CA C 105 45.741 46.120 -0.379 1
1 1295 . 3 1 1 A 105 105 GLY N N 105 107.882 109.190 -1.308 1
1 1296 . 3 1 1 A 106 106 VAL H H 106 8.886 7.812 1.074 1
1 1297 . 3 1 1 A 106 106 VAL HA H 106 4.082 4.343 -0.261 1
1 1305 . 3 1 1 A 106 106 VAL C C 106 175.529 174.585 0.944 1
1 1306 . 3 1 1 A 106 106 VAL CA C 106 61.360 59.222 2.138 1
1 1307 . 3 1 1 A 106 106 VAL CB C 106 32.373 32.908 -0.535 1
1 1310 . 3 1 1 A 106 106 VAL N N 106 125.585 121.571 4.014 1
1 1311 . 3 1 1 A 107 107 PRO HA H 107 4.737 4.579 0.158 1
1 1318 . 3 1 1 A 107 107 PRO C C 107 176.029 176.625 -0.596 1
1 1319 . 3 1 1 A 107 107 PRO CA C 107 62.674 62.938 -0.264 1
1 1320 . 3 1 1 A 107 107 PRO CB C 107 31.789 31.558 0.231 1
1 1323 . 3 1 1 A 108 108 GLN H H 108 8.563 8.032 0.531 1
1 1324 . 3 1 1 A 108 108 GLN HA H 108 4.498 4.300 0.198 1
1 1331 . 3 1 1 A 108 108 GLN C C 108 176.218 175.698 0.520 1
1 1332 . 3 1 1 A 108 108 GLN CA C 108 54.901 55.657 -0.756 1
1 1333 . 3 1 1 A 108 108 GLN CB C 108 29.514 28.484 1.030 1
1 1336 . 3 1 1 A 108 108 GLN N N 108 122.641 122.809 -0.168 1
1 1338 . 3 1 1 A 109 109 LEU H H 109 8.853 8.341 0.512 1
1 1339 . 3 1 1 A 109 109 LEU HA H 109 4.330 4.169 0.161 1
1 1349 . 3 1 1 A 109 109 LEU C C 109 178.151 178.634 -0.483 1
1 1350 . 3 1 1 A 109 109 LEU CA C 109 56.522 54.975 1.547 1
1 1351 . 3 1 1 A 109 109 LEU CB C 109 41.883 42.465 -0.582 1
1 1355 . 3 1 1 A 109 109 LEU N N 109 125.974 125.783 0.191 1
1 1356 . 3 1 1 A 110 110 GLY H H 110 8.809 8.366 0.443 1
1 1357 . 3 1 1 A 110 110 GLY HA2 H 110 3.952 3.753 0.199 1
1 1358 . 3 1 1 A 110 110 GLY HA3 H 110 3.551 3.761 -0.210 1
1 1359 . 3 1 1 A 110 110 GLY C C 110 176.002 175.590 0.412 1
1 1360 . 3 1 1 A 110 110 GLY CA C 110 48.748 47.437 1.311 1
1 1361 . 3 1 1 A 110 110 GLY N N 110 109.442 106.482 2.960 1
1 1362 . 3 1 1 A 111 111 ASP H H 111 8.674 8.319 0.355 1
1 1363 . 3 1 1 A 111 111 ASP HA H 111 4.317 4.342 -0.025 1
1 1366 . 3 1 1 A 111 111 ASP C C 111 177.159 178.223 -1.064 1
1 1367 . 3 1 1 A 111 111 ASP CA C 111 56.239 56.596 -0.357 1
1 1368 . 3 1 1 A 111 111 ASP CB C 111 39.791 39.746 0.045 1
1 1369 . 3 1 1 A 111 111 ASP N N 111 119.503 121.621 -2.118 1
1 1370 . 3 1 1 A 112 112 HIS H H 112 7.471 7.603 -0.132 1
1 1371 . 3 1 1 A 112 112 HIS HA H 112 4.481 4.340 0.141 1
1 1376 . 3 1 1 A 112 112 HIS C C 112 177.121 175.848 1.273 1
1 1377 . 3 1 1 A 112 112 HIS CA C 112 56.692 59.770 -3.078 1
1 1378 . 3 1 1 A 112 112 HIS CB C 112 31.648 30.742 0.906 1
1 1381 . 3 1 1 A 112 112 HIS N N 112 116.681 117.050 -0.369 1
1 1382 . 3 1 1 A 113 113 LEU H H 113 7.526 7.744 -0.218 1
1 1383 . 3 1 1 A 113 113 LEU HA H 113 4.148 4.189 -0.041 1
1 1393 . 3 1 1 A 113 113 LEU C C 113 177.363 176.829 0.534 1
1 1394 . 3 1 1 A 113 113 LEU CA C 113 55.509 54.718 0.791 1
1 1395 . 3 1 1 A 113 113 LEU CB C 113 42.009 42.155 -0.146 1
1 1399 . 3 1 1 A 113 113 LEU N N 113 118.976 119.179 -0.203 1
1 1400 . 3 1 1 A 114 114 ALA H H 114 7.648 8.513 -0.865 1
1 1401 . 3 1 1 A 114 114 ALA HA H 114 4.227 4.322 -0.095 1
1 1405 . 3 1 1 A 114 114 ALA C C 114 177.692 178.018 -0.326 1
1 1406 . 3 1 1 A 114 114 ALA CA C 114 52.828 54.175 -1.347 1
1 1407 . 3 1 1 A 114 114 ALA CB C 114 18.497 20.053 -1.556 1
1 1408 . 3 1 1 A 114 114 ALA N N 114 121.893 123.482 -1.589 1
1 1409 . 3 1 1 A 115 115 LEU H H 115 7.764 7.604 0.160 1
1 1410 . 3 1 1 A 115 115 LEU HA H 115 4.146 4.355 -0.209 1
1 1420 . 3 1 1 A 115 115 LEU C C 115 177.819 177.129 0.690 1
1 1421 . 3 1 1 A 115 115 LEU CA C 115 55.771 54.472 1.299 1
1 1422 . 3 1 1 A 115 115 LEU CB C 115 42.000 41.914 0.086 1
1 1426 . 3 1 1 A 115 115 LEU N N 115 119.576 117.853 1.723 1
1 12 . 4 1 1 A 2 2 THR HA H 2 3.833 4.682 -0.849 1
1 17 . 4 1 1 A 2 2 THR C C 2 170.665 172.234 -1.569 1
1 18 . 4 1 1 A 2 2 THR CA C 2 62.154 60.502 1.652 1
1 19 . 4 1 1 A 2 2 THR CB C 2 69.580 69.952 -0.372 1
1 21 . 4 1 1 A 3 3 LEU H H 3 9.068 8.785 0.283 1
1 22 . 4 1 1 A 3 3 LEU HA H 3 4.887 5.117 -0.230 1
1 32 . 4 1 1 A 3 3 LEU C C 3 175.859 176.199 -0.340 1
1 33 . 4 1 1 A 3 3 LEU CA C 3 54.426 53.597 0.829 1
1 34 . 4 1 1 A 3 3 LEU CB C 3 43.222 45.016 -1.794 1
1 38 . 4 1 1 A 3 3 LEU N N 3 129.030 122.863 6.167 1
1 39 . 4 1 1 A 4 4 ILE H H 4 8.897 9.379 -0.482 1
1 40 . 4 1 1 A 4 4 ILE HA H 4 4.753 5.139 -0.386 1
1 50 . 4 1 1 A 4 4 ILE C C 4 174.211 173.815 0.396 1
1 51 . 4 1 1 A 4 4 ILE CA C 4 59.998 59.166 0.832 1
1 52 . 4 1 1 A 4 4 ILE CB C 4 41.129 40.935 0.194 1
1 56 . 4 1 1 A 4 4 ILE N N 4 115.702 120.229 -4.527 1
1 57 . 4 1 1 A 5 5 TYR H H 5 9.050 9.253 -0.203 1
1 58 . 4 1 1 A 5 5 TYR HA H 5 5.770 5.634 0.136 1
1 65 . 4 1 1 A 5 5 TYR C C 5 175.987 174.459 1.528 1
1 66 . 4 1 1 A 5 5 TYR CA C 5 57.923 56.177 1.746 1
1 67 . 4 1 1 A 5 5 TYR CB C 5 42.963 42.694 0.269 1
1 72 . 4 1 1 A 5 5 TYR N N 5 114.414 122.434 -8.020 1
1 73 . 4 1 1 A 6 6 LYS H H 6 8.858 8.545 0.313 1
1 74 . 4 1 1 A 6 6 LYS HA H 6 4.813 4.985 -0.172 1
1 83 . 4 1 1 A 6 6 LYS C C 6 172.801 174.651 -1.850 1
1 84 . 4 1 1 A 6 6 LYS CA C 6 52.969 54.786 -1.817 1
1 85 . 4 1 1 A 6 6 LYS CB C 6 37.109 36.068 1.041 1
1 89 . 4 1 1 A 6 6 LYS N N 6 121.597 122.500 -0.903 1
1 90 . 4 1 1 A 7 7 ILE H H 7 8.277 8.733 -0.456 1
1 91 . 4 1 1 A 7 7 ILE HA H 7 4.702 4.739 -0.037 1
1 101 . 4 1 1 A 7 7 ILE C C 7 173.742 174.509 -0.767 1
1 102 . 4 1 1 A 7 7 ILE CA C 7 60.340 59.950 0.390 1
1 103 . 4 1 1 A 7 7 ILE CB C 7 38.941 39.088 -0.147 1
1 107 . 4 1 1 A 7 7 ILE N N 7 128.212 128.486 -0.274 1
1 108 . 4 1 1 A 8 8 LEU H H 8 8.627 8.338 0.289 1
1 109 . 4 1 1 A 8 8 LEU HA H 8 4.757 4.770 -0.013 1
1 119 . 4 1 1 A 8 8 LEU C C 8 173.661 175.410 -1.749 1
1 120 . 4 1 1 A 8 8 LEU CA C 8 54.530 53.669 0.861 1
1 121 . 4 1 1 A 8 8 LEU CB C 8 43.617 44.618 -1.001 1
1 125 . 4 1 1 A 8 8 LEU N N 8 126.590 123.915 2.675 1
1 126 . 4 1 1 A 9 9 SER H H 9 8.546 8.847 -0.301 1
1 127 . 4 1 1 A 9 9 SER HA H 9 4.765 4.982 -0.217 1
1 130 . 4 1 1 A 9 9 SER C C 9 175.160 175.304 -0.144 1
1 131 . 4 1 1 A 9 9 SER CA C 9 58.520 57.351 1.169 1
1 132 . 4 1 1 A 9 9 SER CB C 9 65.227 64.783 0.444 1
1 133 . 4 1 1 A 9 9 SER N N 9 115.543 115.136 0.407 1
1 134 . 4 1 1 A 10 10 ARG H H 10 9.080 8.778 0.302 1
1 135 . 4 1 1 A 10 10 ARG HA H 10 4.037 4.002 0.035 1
1 143 . 4 1 1 A 10 10 ARG C C 10 177.847 178.065 -0.218 1
1 144 . 4 1 1 A 10 10 ARG CA C 10 59.210 60.040 -0.830 1
1 145 . 4 1 1 A 10 10 ARG CB C 10 28.776 29.753 -0.977 1
1 148 . 4 1 1 A 10 10 ARG N N 10 123.688 122.449 1.239 1
1 150 . 4 1 1 A 11 11 ALA H H 11 8.753 8.250 0.503 1
1 151 . 4 1 1 A 11 11 ALA HA H 11 4.248 4.071 0.177 1
1 155 . 4 1 1 A 11 11 ALA C C 11 181.848 178.910 2.938 1
1 156 . 4 1 1 A 11 11 ALA CA C 11 55.483 55.302 0.181 1
1 157 . 4 1 1 A 11 11 ALA CB C 11 18.209 18.237 -0.028 1
1 158 . 4 1 1 A 11 11 ALA N N 11 119.698 121.291 -1.593 1
1 159 . 4 1 1 A 12 12 GLU H H 12 7.957 7.863 0.094 1
1 160 . 4 1 1 A 12 12 GLU HA H 12 4.183 4.100 0.083 1
1 165 . 4 1 1 A 12 12 GLU C C 12 179.576 178.477 1.099 1
1 166 . 4 1 1 A 12 12 GLU CA C 12 59.103 59.349 -0.246 1
1 167 . 4 1 1 A 12 12 GLU CB C 12 31.077 29.633 1.444 1
1 169 . 4 1 1 A 12 12 GLU N N 12 118.210 118.219 -0.009 1
1 170 . 4 1 1 A 13 13 TRP H H 13 8.585 7.966 0.619 1
1 171 . 4 1 1 A 13 13 TRP HA H 13 4.937 4.026 0.911 1
1 180 . 4 1 1 A 13 13 TRP C C 13 176.827 177.673 -0.846 1
1 181 . 4 1 1 A 13 13 TRP CA C 13 57.845 61.015 -3.170 1
1 182 . 4 1 1 A 13 13 TRP CB C 13 31.010 30.003 1.007 1
1 188 . 4 1 1 A 13 13 TRP N N 13 123.646 121.789 1.857 1
1 190 . 4 1 1 A 14 14 ASP H H 14 9.260 8.294 0.966 1
1 191 . 4 1 1 A 14 14 ASP HA H 14 4.048 3.930 0.118 1
1 194 . 4 1 1 A 14 14 ASP C C 14 180.120 178.536 1.584 1
1 195 . 4 1 1 A 14 14 ASP CA C 14 57.767 57.100 0.667 1
1 196 . 4 1 1 A 14 14 ASP CB C 14 39.467 39.996 -0.529 1
1 197 . 4 1 1 A 14 14 ASP N N 14 120.253 118.557 1.696 1
1 198 . 4 1 1 A 15 15 ALA H H 15 7.599 7.868 -0.269 1
1 199 . 4 1 1 A 15 15 ALA HA H 15 4.163 4.097 0.066 1
1 203 . 4 1 1 A 15 15 ALA C C 15 180.115 179.623 0.492 1
1 204 . 4 1 1 A 15 15 ALA CA C 15 55.016 54.899 0.117 1
1 205 . 4 1 1 A 15 15 ALA CB C 15 17.871 18.225 -0.354 1
1 206 . 4 1 1 A 15 15 ALA N N 15 122.164 122.584 -0.420 1
1 207 . 4 1 1 A 16 16 ALA H H 16 7.944 7.590 0.354 1
1 208 . 4 1 1 A 16 16 ALA HA H 16 4.334 4.076 0.258 1
1 212 . 4 1 1 A 16 16 ALA C C 16 180.101 179.640 0.461 1
1 213 . 4 1 1 A 16 16 ALA CA C 16 54.659 54.971 -0.312 1
1 214 . 4 1 1 A 16 16 ALA CB C 16 19.107 18.327 0.780 1
1 215 . 4 1 1 A 16 16 ALA N N 16 122.526 120.514 2.012 1
1 216 . 4 1 1 A 17 17 LYS H H 17 8.317 8.245 0.072 1
1 217 . 4 1 1 A 17 17 LYS HA H 17 3.462 3.516 -0.054 1
1 226 . 4 1 1 A 17 17 LYS C C 17 179.126 178.278 0.848 1
1 227 . 4 1 1 A 17 17 LYS CA C 17 60.077 59.188 0.889 1
1 228 . 4 1 1 A 17 17 LYS CB C 17 31.431 31.958 -0.527 1
1 232 . 4 1 1 A 17 17 LYS N N 17 117.572 118.830 -1.258 1
1 233 . 4 1 1 A 18 18 ALA H H 18 7.296 7.786 -0.490 1
1 234 . 4 1 1 A 18 18 ALA HA H 18 4.100 3.959 0.141 1
1 238 . 4 1 1 A 18 18 ALA C C 18 178.940 179.811 -0.871 1
1 239 . 4 1 1 A 18 18 ALA CA C 18 54.513 54.785 -0.272 1
1 240 . 4 1 1 A 18 18 ALA CB C 18 18.132 18.064 0.068 1
1 241 . 4 1 1 A 18 18 ALA N N 18 119.644 119.654 -0.010 1
1 242 . 4 1 1 A 19 19 GLN H H 19 7.443 7.280 0.163 1
1 243 . 4 1 1 A 19 19 GLN HA H 19 4.535 4.228 0.307 1
1 250 . 4 1 1 A 19 19 GLN C C 19 176.607 176.703 -0.096 1
1 251 . 4 1 1 A 19 19 GLN CA C 19 55.755 56.038 -0.283 1
1 252 . 4 1 1 A 19 19 GLN CB C 19 30.075 28.937 1.138 1
1 255 . 4 1 1 A 19 19 GLN N N 19 113.538 115.466 -1.928 1
1 257 . 4 1 1 A 20 20 GLY H H 20 8.277 8.704 -0.427 1
1 258 . 4 1 1 A 20 20 GLY HA2 H 20 4.450 3.850 0.600 1
1 259 . 4 1 1 A 20 20 GLY HA3 H 20 3.627 3.878 -0.251 1
1 260 . 4 1 1 A 20 20 GLY C C 20 174.006 173.515 0.491 1
1 261 . 4 1 1 A 20 20 GLY CA C 20 45.567 45.625 -0.058 1
1 262 . 4 1 1 A 20 20 GLY N N 20 108.233 109.556 -1.323 1
1 263 . 4 1 1 A 21 21 ARG H H 21 7.786 7.724 0.062 1
1 264 . 4 1 1 A 21 21 ARG HA H 21 5.123 4.894 0.229 1
1 272 . 4 1 1 A 21 21 ARG C C 21 171.553 174.281 -2.728 1
1 273 . 4 1 1 A 21 21 ARG CA C 21 54.882 54.912 -0.030 1
1 274 . 4 1 1 A 21 21 ARG CB C 21 32.114 33.484 -1.370 1
1 277 . 4 1 1 A 21 21 ARG N N 21 116.837 121.330 -4.493 1
1 279 . 4 1 1 A 22 22 PHE H H 22 9.821 9.033 0.788 1
1 280 . 4 1 1 A 22 22 PHE HA H 22 5.185 4.942 0.243 1
1 285 . 4 1 1 A 22 22 PHE C C 22 173.825 176.377 -2.552 1
1 286 . 4 1 1 A 22 22 PHE CA C 22 54.913 57.994 -3.081 1
1 287 . 4 1 1 A 22 22 PHE CB C 22 41.568 41.534 0.034 1
1 290 . 4 1 1 A 22 22 PHE N N 22 121.680 126.942 -5.262 1
1 291 . 4 1 1 A 23 23 GLU H H 23 9.053 8.389 0.664 1
1 292 . 4 1 1 A 23 23 GLU HA H 23 3.893 4.512 -0.619 1
1 297 . 4 1 1 A 23 23 GLU C C 23 174.856 175.775 -0.919 1
1 298 . 4 1 1 A 23 23 GLU CA C 23 56.781 55.416 1.365 1
1 299 . 4 1 1 A 23 23 GLU CB C 23 29.990 29.311 0.679 1
1 301 . 4 1 1 A 23 23 GLU N N 23 125.059 123.123 1.936 1
1 302 . 4 1 1 A 24 24 GLY HA2 H 24 4.212 3.446 0.766 1
1 303 . 4 1 1 A 24 24 GLY HA3 H 24 3.112 3.730 -0.618 1
1 304 . 4 1 1 A 24 24 GLY C C 24 173.311 172.805 0.506 1
1 305 . 4 1 1 A 24 24 GLY CA C 24 45.104 43.245 1.859 1
1 306 . 4 1 1 A 25 25 SER H H 25 9.877 8.244 1.633 1
1 307 . 4 1 1 A 25 25 SER HA H 25 4.884 4.758 0.126 1
1 310 . 4 1 1 A 25 25 SER C C 25 173.788 175.736 -1.948 1
1 311 . 4 1 1 A 25 25 SER CA C 25 57.549 56.519 1.030 1
1 312 . 4 1 1 A 25 25 SER CB C 25 65.383 66.384 -1.001 1
1 313 . 4 1 1 A 25 25 SER N N 25 121.073 112.411 8.662 1
1 314 . 4 1 1 A 26 26 ALA H H 26 9.097 9.079 0.018 1
1 315 . 4 1 1 A 26 26 ALA HA H 26 3.964 3.938 0.026 1
1 319 . 4 1 1 A 26 26 ALA C C 26 181.102 179.833 1.269 1
1 320 . 4 1 1 A 26 26 ALA CA C 26 56.670 55.040 1.630 1
1 321 . 4 1 1 A 26 26 ALA CB C 26 17.927 18.402 -0.475 1
1 322 . 4 1 1 A 26 26 ALA N N 26 123.398 123.542 -0.144 1
1 323 . 4 1 1 A 27 27 VAL H H 27 7.928 7.470 0.458 1
1 324 . 4 1 1 A 27 27 VAL HA H 27 3.593 3.534 0.059 1
1 332 . 4 1 1 A 27 27 VAL C C 27 176.628 177.717 -1.089 1
1 333 . 4 1 1 A 27 27 VAL CA C 27 65.257 66.469 -1.212 1
1 334 . 4 1 1 A 27 27 VAL CB C 27 31.688 31.828 -0.140 1
1 337 . 4 1 1 A 27 27 VAL N N 27 117.697 118.307 -0.610 1
1 338 . 4 1 1 A 28 28 ASP H H 28 6.927 8.341 -1.414 1
1 339 . 4 1 1 A 28 28 ASP HA H 28 4.512 4.495 0.017 1
1 342 . 4 1 1 A 28 28 ASP C C 28 178.402 179.127 -0.725 1
1 343 . 4 1 1 A 28 28 ASP CA C 28 56.586 57.548 -0.962 1
1 344 . 4 1 1 A 28 28 ASP CB C 28 41.317 40.788 0.529 1
1 345 . 4 1 1 A 28 28 ASP N N 28 121.516 120.237 1.279 1
1 346 . 4 1 1 A 29 29 LEU H H 29 8.309 8.322 -0.013 1
1 347 . 4 1 1 A 29 29 LEU HA H 29 3.764 4.034 -0.270 1
1 357 . 4 1 1 A 29 29 LEU C C 29 180.093 179.533 0.560 1
1 358 . 4 1 1 A 29 29 LEU CA C 29 57.091 57.324 -0.233 1
1 359 . 4 1 1 A 29 29 LEU CB C 29 41.418 40.935 0.483 1
1 363 . 4 1 1 A 29 29 LEU N N 29 118.648 120.552 -1.904 1
1 364 . 4 1 1 A 30 30 ALA H H 30 7.458 7.646 -0.188 1
1 365 . 4 1 1 A 30 30 ALA HA H 30 4.000 3.959 0.041 1
1 369 . 4 1 1 A 30 30 ALA C C 30 179.371 179.233 0.138 1
1 370 . 4 1 1 A 30 30 ALA CA C 30 54.526 55.256 -0.730 1
1 371 . 4 1 1 A 30 30 ALA CB C 30 18.102 18.033 0.069 1
1 372 . 4 1 1 A 30 30 ALA N N 30 120.814 122.115 -1.301 1
1 373 . 4 1 1 A 31 31 ASP H H 31 7.682 7.937 -0.255 1
1 374 . 4 1 1 A 31 31 ASP HA H 31 4.410 4.272 0.138 1
1 377 . 4 1 1 A 31 31 ASP C C 31 176.610 176.319 0.291 1
1 378 . 4 1 1 A 31 31 ASP CA C 31 55.271 54.478 0.793 1
1 379 . 4 1 1 A 31 31 ASP CB C 31 40.083 40.310 -0.227 1
1 380 . 4 1 1 A 31 31 ASP N N 31 117.191 116.030 1.161 1
1 381 . 4 1 1 A 32 32 GLY H H 32 7.909 8.955 -1.046 1
1 382 . 4 1 1 A 32 32 GLY HA2 H 32 4.090 3.828 0.262 1
1 383 . 4 1 1 A 32 32 GLY HA3 H 32 3.597 3.901 -0.304 1
1 384 . 4 1 1 A 32 32 GLY C C 32 173.168 173.527 -0.359 1
1 385 . 4 1 1 A 32 32 GLY CA C 32 45.112 45.350 -0.238 1
1 386 . 4 1 1 A 32 32 GLY N N 32 106.983 107.199 -0.216 1
1 387 . 4 1 1 A 33 33 PHE H H 33 7.233 6.944 0.289 1
1 388 . 4 1 1 A 33 33 PHE HA H 33 4.212 4.925 -0.713 1
1 396 . 4 1 1 A 33 33 PHE C C 33 171.389 173.607 -2.218 1
1 397 . 4 1 1 A 33 33 PHE CA C 33 55.383 56.146 -0.763 1
1 398 . 4 1 1 A 33 33 PHE CB C 33 37.177 40.508 -3.331 1
1 404 . 4 1 1 A 33 33 PHE N N 33 115.364 114.683 0.681 1
1 405 . 4 1 1 A 34 34 ILE H H 34 8.637 9.158 -0.521 1
1 406 . 4 1 1 A 34 34 ILE HA H 34 3.817 4.072 -0.255 1
1 416 . 4 1 1 A 34 34 ILE C C 34 177.018 176.018 1.000 1
1 417 . 4 1 1 A 34 34 ILE CA C 34 60.724 62.589 -1.865 1
1 418 . 4 1 1 A 34 34 ILE CB C 34 39.266 37.237 2.029 1
1 422 . 4 1 1 A 34 34 ILE N N 34 114.086 121.940 -7.854 1
1 423 . 4 1 1 A 35 35 HIS H H 35 9.203 7.849 1.354 1
1 424 . 4 1 1 A 35 35 HIS HA H 35 4.448 4.990 -0.542 1
1 428 . 4 1 1 A 35 35 HIS C C 35 175.740 174.968 0.772 1
1 429 . 4 1 1 A 35 35 HIS CA C 35 57.757 55.228 2.529 1
1 430 . 4 1 1 A 35 35 HIS CB C 35 29.758 28.863 0.895 1
1 432 . 4 1 1 A 35 35 HIS N N 35 127.988 126.005 1.983 1
1 433 . 4 1 1 A 36 36 LEU H H 36 8.454 8.867 -0.413 1
1 434 . 4 1 1 A 36 36 LEU HA H 36 5.190 4.658 0.532 1
1 444 . 4 1 1 A 36 36 LEU C C 36 174.813 175.739 -0.926 1
1 445 . 4 1 1 A 36 36 LEU CA C 36 56.019 54.403 1.616 1
1 446 . 4 1 1 A 36 36 LEU CB C 36 44.541 42.249 2.292 1
1 450 . 4 1 1 A 36 36 LEU N N 36 126.075 127.166 -1.091 1
1 451 . 4 1 1 A 37 37 SER H H 37 9.128 8.521 0.607 1
1 452 . 4 1 1 A 37 37 SER HA H 37 5.277 5.055 0.222 1
1 455 . 4 1 1 A 37 37 SER C C 37 174.433 173.061 1.372 1
1 456 . 4 1 1 A 37 37 SER CA C 37 57.990 57.670 0.320 1
1 457 . 4 1 1 A 37 37 SER CB C 37 66.778 66.842 -0.064 1
1 458 . 4 1 1 A 37 37 SER N N 37 112.795 115.849 -3.054 1
1 459 . 4 1 1 A 38 38 ALA H H 38 9.665 8.882 0.783 1
1 460 . 4 1 1 A 38 38 ALA HA H 38 4.973 4.795 0.178 1
1 464 . 4 1 1 A 38 38 ALA C C 38 179.640 178.846 0.794 1
1 465 . 4 1 1 A 38 38 ALA CA C 38 52.303 52.234 0.069 1
1 466 . 4 1 1 A 38 38 ALA CB C 38 19.350 20.171 -0.821 1
1 467 . 4 1 1 A 38 38 ALA N N 38 127.103 126.889 0.214 1
1 468 . 4 1 1 A 39 39 GLY H H 39 10.159 8.950 1.209 1
1 469 . 4 1 1 A 39 39 GLY HA2 H 39 4.249 3.317 0.932 1
1 470 . 4 1 1 A 39 39 GLY HA3 H 39 3.720 3.615 0.105 1
1 471 . 4 1 1 A 39 39 GLY C C 39 176.229 175.994 0.235 1
1 472 . 4 1 1 A 39 39 GLY CA C 39 49.163 47.227 1.936 1
1 473 . 4 1 1 A 39 39 GLY N N 39 112.007 107.588 4.419 1
1 474 . 4 1 1 A 40 40 GLU H H 40 9.367 8.415 0.952 1
1 475 . 4 1 1 A 40 40 GLU HA H 40 4.234 4.086 0.148 1
1 480 . 4 1 1 A 40 40 GLU C C 40 176.417 178.535 -2.118 1
1 481 . 4 1 1 A 40 40 GLU CA C 40 58.622 59.440 -0.818 1
1 482 . 4 1 1 A 40 40 GLU CB C 40 28.796 29.357 -0.561 1
1 484 . 4 1 1 A 40 40 GLU N N 40 117.243 122.176 -4.933 1
1 485 . 4 1 1 A 41 41 GLN H H 41 7.503 7.632 -0.129 1
1 486 . 4 1 1 A 41 41 GLN HA H 41 4.752 4.134 0.618 1
1 493 . 4 1 1 A 41 41 GLN C C 41 177.730 178.646 -0.916 1
1 494 . 4 1 1 A 41 41 GLN CA C 41 55.626 58.696 -3.070 1
1 495 . 4 1 1 A 41 41 GLN CB C 41 30.653 28.300 2.353 1
1 498 . 4 1 1 A 41 41 GLN N N 41 115.837 119.652 -3.815 1
1 500 . 4 1 1 A 42 42 ALA H H 42 7.519 8.549 -1.030 1
1 501 . 4 1 1 A 42 42 ALA HA H 42 3.927 4.080 -0.153 1
1 505 . 4 1 1 A 42 42 ALA C C 42 177.826 179.248 -1.422 1
1 506 . 4 1 1 A 42 42 ALA CA C 42 56.706 55.420 1.286 1
1 507 . 4 1 1 A 42 42 ALA CB C 42 18.247 18.159 0.088 1
1 508 . 4 1 1 A 42 42 ALA N N 42 123.105 122.846 0.259 1
1 509 . 4 1 1 A 43 43 GLN H H 43 9.203 7.933 1.270 1
1 510 . 4 1 1 A 43 43 GLN HA H 43 3.942 3.955 -0.013 1
1 517 . 4 1 1 A 43 43 GLN C C 43 177.913 178.156 -0.243 1
1 518 . 4 1 1 A 43 43 GLN CA C 43 58.678 59.320 -0.642 1
1 519 . 4 1 1 A 43 43 GLN CB C 43 28.815 28.429 0.386 1
1 522 . 4 1 1 A 43 43 GLN N N 43 118.650 117.876 0.774 1
1 524 . 4 1 1 A 44 44 GLU H H 44 8.611 7.896 0.715 1
1 525 . 4 1 1 A 44 44 GLU HA H 44 4.207 4.083 0.124 1
1 530 . 4 1 1 A 44 44 GLU C C 44 179.090 179.620 -0.530 1
1 531 . 4 1 1 A 44 44 GLU CA C 44 59.246 59.301 -0.055 1
1 532 . 4 1 1 A 44 44 GLU CB C 44 28.850 29.431 -0.581 1
1 534 . 4 1 1 A 44 44 GLU N N 44 122.042 119.401 2.641 1
1 535 . 4 1 1 A 45 45 THR H H 45 8.292 8.523 -0.231 1
1 536 . 4 1 1 A 45 45 THR HA H 45 4.123 4.257 -0.134 1
1 541 . 4 1 1 A 45 45 THR C C 45 176.228 177.213 -0.985 1
1 542 . 4 1 1 A 45 45 THR CA C 45 66.902 66.303 0.599 1
1 543 . 4 1 1 A 45 45 THR CB C 45 68.949 68.713 0.236 1
1 545 . 4 1 1 A 45 45 THR N N 45 117.583 116.457 1.126 1
1 546 . 4 1 1 A 46 46 ALA H H 46 8.275 8.651 -0.376 1
1 547 . 4 1 1 A 46 46 ALA HA H 46 4.255 4.379 -0.124 1
1 551 . 4 1 1 A 46 46 ALA C C 46 178.630 179.709 -1.079 1
1 552 . 4 1 1 A 46 46 ALA CA C 46 55.406 55.103 0.303 1
1 553 . 4 1 1 A 46 46 ALA CB C 46 18.482 18.151 0.331 1
1 554 . 4 1 1 A 46 46 ALA N N 46 123.184 123.582 -0.398 1
1 555 . 4 1 1 A 47 47 ALA H H 47 8.066 7.830 0.236 1
1 556 . 4 1 1 A 47 47 ALA HA H 47 3.953 4.224 -0.271 1
1 560 . 4 1 1 A 47 47 ALA C C 47 178.552 179.708 -1.156 1
1 561 . 4 1 1 A 47 47 ALA CA C 47 55.030 54.783 0.247 1
1 562 . 4 1 1 A 47 47 ALA CB C 47 18.899 18.677 0.222 1
1 563 . 4 1 1 A 47 47 ALA N N 47 117.129 119.907 -2.778 1
1 564 . 4 1 1 A 48 48 LYS H H 48 8.089 8.079 0.010 1
1 565 . 4 1 1 A 48 48 LYS HA H 48 3.936 3.967 -0.031 1
1 574 . 4 1 1 A 48 48 LYS C C 48 179.130 177.939 1.191 1
1 575 . 4 1 1 A 48 48 LYS CA C 48 58.560 58.402 0.158 1
1 576 . 4 1 1 A 48 48 LYS CB C 48 33.122 33.184 -0.062 1
1 580 . 4 1 1 A 48 48 LYS N N 48 115.322 117.177 -1.855 1
1 581 . 4 1 1 A 49 49 TRP H H 49 7.978 7.884 0.094 1
1 582 . 4 1 1 A 49 49 TRP HA H 49 4.807 4.493 0.314 1
1 591 . 4 1 1 A 49 49 TRP C C 49 176.923 177.467 -0.544 1
1 592 . 4 1 1 A 49 49 TRP CA C 49 57.157 58.769 -1.612 1
1 593 . 4 1 1 A 49 49 TRP CB C 49 31.461 30.416 1.045 1
1 599 . 4 1 1 A 49 49 TRP N N 49 114.492 117.195 -2.703 1
1 601 . 4 1 1 A 50 50 PHE H H 50 7.740 7.850 -0.110 1
1 602 . 4 1 1 A 50 50 PHE HA H 50 4.925 4.665 0.260 1
1 608 . 4 1 1 A 50 50 PHE C C 50 174.160 175.446 -1.286 1
1 609 . 4 1 1 A 50 50 PHE CA C 50 57.772 58.086 -0.314 1
1 610 . 4 1 1 A 50 50 PHE CB C 50 39.610 38.553 1.057 1
1 614 . 4 1 1 A 50 50 PHE N N 50 116.540 116.007 0.533 1
1 615 . 4 1 1 A 51 51 ARG H H 51 7.389 7.699 -0.310 1
1 616 . 4 1 1 A 51 51 ARG HA H 51 4.198 4.093 0.105 1
1 624 . 4 1 1 A 51 51 ARG C C 51 179.130 177.126 2.004 1
1 625 . 4 1 1 A 51 51 ARG CA C 51 58.224 58.513 -0.289 1
1 626 . 4 1 1 A 51 51 ARG CB C 51 30.032 29.707 0.325 1
1 629 . 4 1 1 A 51 51 ARG N N 51 119.136 122.186 -3.050 1
1 631 . 4 1 1 A 52 52 GLY H H 52 10.264 8.900 1.364 1
1 632 . 4 1 1 A 52 52 GLY HA2 H 52 4.180 3.968 0.212 1
1 633 . 4 1 1 A 52 52 GLY HA3 H 52 3.745 3.969 -0.224 1
1 634 . 4 1 1 A 52 52 GLY C C 52 173.980 174.334 -0.354 1
1 635 . 4 1 1 A 52 52 GLY CA C 52 45.517 45.124 0.393 1
1 636 . 4 1 1 A 52 52 GLY N N 52 114.192 114.578 -0.386 1
1 637 . 4 1 1 A 53 53 GLN H H 53 7.597 7.492 0.105 1
1 638 . 4 1 1 A 53 53 GLN HA H 53 4.437 4.455 -0.018 1
1 645 . 4 1 1 A 53 53 GLN C C 53 172.934 175.646 -2.712 1
1 646 . 4 1 1 A 53 53 GLN CA C 53 56.280 55.031 1.249 1
1 647 . 4 1 1 A 53 53 GLN CB C 53 29.123 29.000 0.123 1
1 650 . 4 1 1 A 53 53 GLN N N 53 120.438 119.683 0.755 1
1 652 . 4 1 1 A 54 54 ALA H H 54 8.190 8.838 -0.648 1
1 653 . 4 1 1 A 54 54 ALA HA H 54 4.344 4.515 -0.171 1
1 657 . 4 1 1 A 54 54 ALA C C 54 177.278 177.609 -0.331 1
1 658 . 4 1 1 A 54 54 ALA CA C 54 51.377 51.917 -0.540 1
1 659 . 4 1 1 A 54 54 ALA CB C 54 20.525 19.071 1.454 1
1 660 . 4 1 1 A 54 54 ALA N N 54 124.528 129.378 -4.850 1
1 661 . 4 1 1 A 55 55 ASN H H 55 8.903 7.985 0.918 1
1 662 . 4 1 1 A 55 55 ASN HA H 55 4.598 5.023 -0.425 1
1 667 . 4 1 1 A 55 55 ASN C C 55 174.075 174.534 -0.459 1
1 668 . 4 1 1 A 55 55 ASN CA C 55 53.986 52.757 1.229 1
1 669 . 4 1 1 A 55 55 ASN CB C 55 37.654 39.751 -2.097 1
1 671 . 4 1 1 A 55 55 ASN N N 55 113.776 117.028 -3.252 1
1 673 . 4 1 1 A 56 56 LEU H H 56 8.543 7.432 1.111 1
1 674 . 4 1 1 A 56 56 LEU HA H 56 4.677 4.592 0.085 1
1 684 . 4 1 1 A 56 56 LEU C C 56 176.806 175.938 0.868 1
1 685 . 4 1 1 A 56 56 LEU CA C 56 54.383 53.374 1.009 1
1 686 . 4 1 1 A 56 56 LEU CB C 56 45.328 42.463 2.865 1
1 690 . 4 1 1 A 56 56 LEU N N 56 117.411 121.746 -4.335 1
1 691 . 4 1 1 A 57 57 VAL H H 57 9.207 9.440 -0.233 1
1 692 . 4 1 1 A 57 57 VAL HA H 57 4.633 4.526 0.107 1
1 700 . 4 1 1 A 57 57 VAL C C 57 172.465 174.172 -1.707 1
1 701 . 4 1 1 A 57 57 VAL CA C 57 59.970 61.216 -1.246 1
1 702 . 4 1 1 A 57 57 VAL CB C 57 35.376 32.806 2.570 1
1 705 . 4 1 1 A 57 57 VAL N N 57 121.448 125.238 -3.790 1
1 706 . 4 1 1 A 58 58 LEU H H 58 8.855 9.164 -0.309 1
1 707 . 4 1 1 A 58 58 LEU HA H 58 4.763 4.816 -0.053 1
1 717 . 4 1 1 A 58 58 LEU C C 58 175.349 174.892 0.457 1
1 718 . 4 1 1 A 58 58 LEU CA C 58 52.286 53.656 -1.370 1
1 719 . 4 1 1 A 58 58 LEU CB C 58 46.390 43.835 2.555 1
1 723 . 4 1 1 A 58 58 LEU N N 58 124.476 129.729 -5.253 1
1 724 . 4 1 1 A 59 59 LEU H H 59 9.265 9.069 0.196 1
1 725 . 4 1 1 A 59 59 LEU HA H 59 4.714 4.400 0.314 1
1 735 . 4 1 1 A 59 59 LEU C C 59 175.262 175.290 -0.028 1
1 736 . 4 1 1 A 59 59 LEU CA C 59 52.753 54.133 -1.380 1
1 737 . 4 1 1 A 59 59 LEU CB C 59 42.431 40.605 1.826 1
1 741 . 4 1 1 A 59 59 LEU N N 59 125.973 128.643 -2.670 1
1 742 . 4 1 1 A 60 60 ALA H H 60 8.331 8.612 -0.281 1
1 743 . 4 1 1 A 60 60 ALA HA H 60 4.739 4.287 0.452 1
1 747 . 4 1 1 A 60 60 ALA C C 60 175.631 175.883 -0.252 1
1 748 . 4 1 1 A 60 60 ALA CA C 60 50.320 50.781 -0.461 1
1 749 . 4 1 1 A 60 60 ALA CB C 60 21.744 19.403 2.341 1
1 750 . 4 1 1 A 60 60 ALA N N 60 124.617 128.307 -3.690 1
1 751 . 4 1 1 A 61 61 VAL H H 61 8.944 8.644 0.300 1
1 752 . 4 1 1 A 61 61 VAL HA H 61 4.244 4.455 -0.211 1
1 760 . 4 1 1 A 61 61 VAL C C 61 174.674 174.867 -0.193 1
1 761 . 4 1 1 A 61 61 VAL CA C 61 60.770 60.935 -0.165 1
1 762 . 4 1 1 A 61 61 VAL CB C 61 36.636 34.287 2.349 1
1 765 . 4 1 1 A 61 61 VAL N N 61 124.079 123.574 0.505 1
1 766 . 4 1 1 A 62 62 GLU H H 62 8.490 8.803 -0.313 1
1 767 . 4 1 1 A 62 62 GLU HA H 62 4.551 4.432 0.119 1
1 772 . 4 1 1 A 62 62 GLU C C 62 177.700 177.817 -0.117 1
1 773 . 4 1 1 A 62 62 GLU CA C 62 56.879 56.116 0.763 1
1 774 . 4 1 1 A 62 62 GLU CB C 62 29.372 30.376 -1.004 1
1 776 . 4 1 1 A 62 62 GLU N N 62 127.752 125.557 2.195 1
1 777 . 4 1 1 A 63 63 ALA H H 63 9.173 9.034 0.139 1
1 778 . 4 1 1 A 63 63 ALA HA H 63 3.991 4.173 -0.182 1
1 782 . 4 1 1 A 63 63 ALA C C 63 180.311 179.668 0.643 1
1 783 . 4 1 1 A 63 63 ALA CA C 63 54.850 54.084 0.766 1
1 784 . 4 1 1 A 63 63 ALA CB C 63 19.495 18.721 0.774 1
1 785 . 4 1 1 A 63 63 ALA N N 63 127.466 125.366 2.100 1
1 786 . 4 1 1 A 64 64 GLU H H 64 9.571 8.198 1.373 1
1 787 . 4 1 1 A 64 64 GLU HA H 64 4.146 4.104 0.042 1
1 792 . 4 1 1 A 64 64 GLU C C 64 177.102 175.204 1.898 1
1 793 . 4 1 1 A 64 64 GLU CA C 64 63.532 61.429 2.103 1
1 794 . 4 1 1 A 64 64 GLU CB C 64 25.742 28.383 -2.641 1
1 796 . 4 1 1 A 64 64 GLU N N 64 120.368 119.766 0.602 1
1 797 . 4 1 1 A 65 65 PRO HA H 65 4.440 4.244 0.196 1
1 804 . 4 1 1 A 65 65 PRO C C 65 177.332 178.769 -1.437 1
1 805 . 4 1 1 A 65 65 PRO CA C 65 64.973 66.501 -1.528 1
1 806 . 4 1 1 A 65 65 PRO CB C 65 31.341 30.673 0.668 1
1 809 . 4 1 1 A 66 66 LEU H H 66 7.412 7.790 -0.378 1
1 810 . 4 1 1 A 66 66 LEU HA H 66 4.023 4.246 -0.223 1
1 820 . 4 1 1 A 66 66 LEU C C 66 178.533 176.857 1.676 1
1 821 . 4 1 1 A 66 66 LEU CA C 66 55.861 54.494 1.367 1
1 822 . 4 1 1 A 66 66 LEU CB C 66 41.349 41.321 0.028 1
1 826 . 4 1 1 A 66 66 LEU N N 66 114.991 115.314 -0.323 1
1 827 . 4 1 1 A 67 67 GLY H H 67 7.733 7.808 -0.075 1
1 828 . 4 1 1 A 67 67 GLY HA2 H 67 4.018 4.074 -0.056 1
1 829 . 4 1 1 A 67 67 GLY HA3 H 67 3.909 4.076 -0.167 1
1 830 . 4 1 1 A 67 67 GLY C C 67 175.925 174.660 1.265 1
1 831 . 4 1 1 A 67 67 GLY CA C 67 46.054 45.176 0.878 1
1 832 . 4 1 1 A 67 67 GLY N N 67 104.242 109.747 -5.505 1
1 833 . 4 1 1 A 68 68 GLU H H 68 8.887 8.919 -0.032 1
1 834 . 4 1 1 A 68 68 GLU HA H 68 4.219 4.437 -0.218 1
1 839 . 4 1 1 A 68 68 GLU C C 68 176.314 177.329 -1.015 1
1 840 . 4 1 1 A 68 68 GLU CA C 68 57.652 56.221 1.431 1
1 841 . 4 1 1 A 68 68 GLU CB C 68 29.306 29.385 -0.079 1
1 843 . 4 1 1 A 68 68 GLU N N 68 121.253 123.766 -2.513 1
1 844 . 4 1 1 A 69 69 ASP H H 69 7.630 8.019 -0.389 1
1 845 . 4 1 1 A 69 69 ASP HA H 69 4.587 4.609 -0.022 1
1 848 . 4 1 1 A 69 69 ASP C C 69 174.665 176.542 -1.877 1
1 849 . 4 1 1 A 69 69 ASP CA C 69 56.078 56.132 -0.054 1
1 850 . 4 1 1 A 69 69 ASP CB C 69 41.572 40.632 0.940 1
1 851 . 4 1 1 A 69 69 ASP N N 69 116.486 119.377 -2.891 1
1 852 . 4 1 1 A 70 70 LEU H H 70 7.433 7.371 0.062 1
1 853 . 4 1 1 A 70 70 LEU HA H 70 4.854 4.245 0.609 1
1 863 . 4 1 1 A 70 70 LEU C C 70 174.259 175.635 -1.376 1
1 864 . 4 1 1 A 70 70 LEU CA C 70 53.281 55.278 -1.997 1
1 865 . 4 1 1 A 70 70 LEU CB C 70 43.024 42.819 0.205 1
1 869 . 4 1 1 A 70 70 LEU N N 70 121.585 122.469 -0.884 1
1 870 . 4 1 1 A 71 71 LYS H H 71 9.114 8.454 0.660 1
1 871 . 4 1 1 A 71 71 LYS HA H 71 4.724 4.876 -0.152 1
1 880 . 4 1 1 A 71 71 LYS C C 71 175.146 174.692 0.454 1
1 881 . 4 1 1 A 71 71 LYS CA C 71 54.024 54.667 -0.643 1
1 882 . 4 1 1 A 71 71 LYS CB C 71 35.469 34.472 0.997 1
1 886 . 4 1 1 A 71 71 LYS N N 71 126.179 127.386 -1.207 1
1 887 . 4 1 1 A 72 72 TRP H H 72 8.981 9.213 -0.232 1
1 888 . 4 1 1 A 72 72 TRP HA H 72 4.720 4.898 -0.178 1
1 897 . 4 1 1 A 72 72 TRP C C 72 176.394 175.589 0.805 1
1 898 . 4 1 1 A 72 72 TRP CA C 72 55.876 57.016 -1.140 1
1 899 . 4 1 1 A 72 72 TRP CB C 72 27.789 30.725 -2.936 1
1 905 . 4 1 1 A 72 72 TRP N N 72 125.904 128.451 -2.547 1
1 907 . 4 1 1 A 73 73 GLU H H 73 8.558 9.073 -0.515 1
1 908 . 4 1 1 A 73 73 GLU HA H 73 4.762 4.855 -0.093 1
1 913 . 4 1 1 A 73 73 GLU C C 73 175.459 174.885 0.574 1
1 914 . 4 1 1 A 73 73 GLU CA C 73 55.208 55.317 -0.109 1
1 915 . 4 1 1 A 73 73 GLU CB C 73 32.615 32.306 0.309 1
1 917 . 4 1 1 A 73 73 GLU N N 73 123.290 123.167 0.123 1
1 918 . 4 1 1 A 74 74 ALA H H 74 8.962 8.931 0.031 1
1 919 . 4 1 1 A 74 74 ALA HA H 74 4.738 4.772 -0.034 1
1 923 . 4 1 1 A 74 74 ALA C C 74 177.803 177.866 -0.063 1
1 924 . 4 1 1 A 74 74 ALA CA C 74 52.246 51.567 0.679 1
1 925 . 4 1 1 A 74 74 ALA CB C 74 20.070 17.857 2.213 1
1 926 . 4 1 1 A 74 74 ALA N N 74 127.315 131.322 -4.007 1
1 927 . 4 1 1 A 75 75 SER H H 75 8.762 8.833 -0.071 1
1 928 . 4 1 1 A 75 75 SER HA H 75 4.850 4.586 0.264 1
1 931 . 4 1 1 A 75 75 SER C C 75 176.080 174.546 1.534 1
1 932 . 4 1 1 A 75 75 SER CA C 75 56.954 60.246 -3.292 1
1 933 . 4 1 1 A 75 75 SER CB C 75 65.244 63.703 1.541 1
1 934 . 4 1 1 A 75 75 SER N N 75 117.745 119.251 -1.506 1
1 935 . 4 1 1 A 76 76 ARG HA H 76 4.193 4.888 -0.695 1
1 943 . 4 1 1 A 76 76 ARG CA C 76 58.895 54.124 4.771 1
1 944 . 4 1 1 A 76 76 ARG CB C 76 29.877 33.852 -3.975 1
1 947 . 4 1 1 A 77 77 GLY C C 77 175.277 175.368 -0.091 1
1 948 . 4 1 1 A 78 78 GLY H H 78 8.045 8.592 -0.547 1
1 949 . 4 1 1 A 78 78 GLY HA2 H 78 4.390 4.037 0.353 1
1 950 . 4 1 1 A 78 78 GLY HA3 H 78 3.786 4.044 -0.258 1
1 951 . 4 1 1 A 78 78 GLY C C 78 173.503 174.068 -0.565 1
1 952 . 4 1 1 A 78 78 GLY CA C 78 45.296 45.188 0.108 1
1 953 . 4 1 1 A 78 78 GLY N N 78 110.323 115.618 -5.295 1
1 954 . 4 1 1 A 79 79 ALA H H 79 7.879 7.779 0.100 1
1 955 . 4 1 1 A 79 79 ALA HA H 79 4.357 4.178 0.179 1
1 959 . 4 1 1 A 79 79 ALA C C 79 176.674 176.051 0.623 1
1 960 . 4 1 1 A 79 79 ALA CA C 79 52.151 50.958 1.193 1
1 961 . 4 1 1 A 79 79 ALA CB C 79 20.171 18.571 1.600 1
1 962 . 4 1 1 A 79 79 ALA N N 79 123.865 124.001 -0.136 1
1 963 . 4 1 1 A 80 80 ARG H H 80 8.375 8.743 -0.368 1
1 964 . 4 1 1 A 80 80 ARG HA H 80 4.629 4.664 -0.035 1
1 972 . 4 1 1 A 80 80 ARG C C 80 175.713 174.806 0.907 1
1 973 . 4 1 1 A 80 80 ARG CA C 80 55.622 55.302 0.320 1
1 974 . 4 1 1 A 80 80 ARG CB C 80 32.074 30.633 1.441 1
1 977 . 4 1 1 A 80 80 ARG N N 80 119.145 123.393 -4.248 1
1 979 . 4 1 1 A 81 81 PHE H H 81 8.722 8.873 -0.151 1
1 980 . 4 1 1 A 81 81 PHE HA H 81 5.156 4.869 0.287 1
1 988 . 4 1 1 A 81 81 PHE C C 81 172.806 173.983 -1.177 1
1 989 . 4 1 1 A 81 81 PHE CA C 81 54.950 55.941 -0.991 1
1 990 . 4 1 1 A 81 81 PHE CB C 81 42.240 39.670 2.570 1
1 996 . 4 1 1 A 81 81 PHE N N 81 123.774 125.111 -1.337 1
1 997 . 4 1 1 A 82 82 PRO HA H 82 3.635 4.178 -0.543 1
1 1004 . 4 1 1 A 82 82 PRO C C 82 174.511 175.887 -1.376 1
1 1005 . 4 1 1 A 82 82 PRO CA C 82 61.347 62.035 -0.688 1
1 1006 . 4 1 1 A 82 82 PRO CB C 82 29.495 31.439 -1.944 1
1 1009 . 4 1 1 A 83 83 HIS H H 83 8.831 8.682 0.149 1
1 1010 . 4 1 1 A 83 83 HIS HA H 83 5.330 4.896 0.434 1
1 1014 . 4 1 1 A 83 83 HIS C C 83 172.952 173.781 -0.829 1
1 1015 . 4 1 1 A 83 83 HIS CA C 83 50.700 54.207 -3.507 1
1 1016 . 4 1 1 A 83 83 HIS CB C 83 33.238 32.464 0.774 1
1 1018 . 4 1 1 A 83 83 HIS N N 83 124.483 122.377 2.106 1
1 1019 . 4 1 1 A 84 84 LEU H H 84 9.063 8.716 0.347 1
1 1020 . 4 1 1 A 84 84 LEU HA H 84 5.163 4.628 0.535 1
1 1030 . 4 1 1 A 84 84 LEU C C 84 176.699 176.043 0.656 1
1 1031 . 4 1 1 A 84 84 LEU CA C 84 53.829 53.064 0.765 1
1 1032 . 4 1 1 A 84 84 LEU CB C 84 45.366 42.827 2.539 1
1 1036 . 4 1 1 A 84 84 LEU N N 84 125.218 124.054 1.164 1
1 1037 . 4 1 1 A 85 85 TYR H H 85 9.058 8.867 0.191 1
1 1038 . 4 1 1 A 85 85 TYR HA H 85 4.508 4.760 -0.252 1
1 1045 . 4 1 1 A 85 85 TYR C C 85 173.624 175.574 -1.950 1
1 1046 . 4 1 1 A 85 85 TYR CA C 85 60.034 58.641 1.393 1
1 1047 . 4 1 1 A 85 85 TYR CB C 85 36.073 38.715 -2.642 1
1 1052 . 4 1 1 A 85 85 TYR N N 85 131.339 125.319 6.020 1
1 1053 . 4 1 1 A 86 86 ARG H H 86 7.432 7.738 -0.306 1
1 1054 . 4 1 1 A 86 86 ARG HA H 86 4.682 4.967 -0.285 1
1 1062 . 4 1 1 A 86 86 ARG C C 86 171.917 173.390 -1.473 1
1 1063 . 4 1 1 A 86 86 ARG CA C 86 54.953 53.767 1.186 1
1 1064 . 4 1 1 A 86 86 ARG CB C 86 28.209 33.275 -5.066 1
1 1067 . 4 1 1 A 86 86 ARG N N 86 114.399 117.302 -2.903 1
1 1069 . 4 1 1 A 87 87 PRO HA H 87 4.303 4.386 -0.083 1
1 1076 . 4 1 1 A 87 87 PRO C C 87 175.771 175.914 -0.143 1
1 1077 . 4 1 1 A 87 87 PRO CA C 87 63.497 63.193 0.304 1
1 1078 . 4 1 1 A 87 87 PRO CB C 87 32.253 32.107 0.146 1
1 1081 . 4 1 1 A 88 88 LEU H H 88 8.095 8.327 -0.232 1
1 1082 . 4 1 1 A 88 88 LEU HA H 88 4.286 4.783 -0.497 1
1 1092 . 4 1 1 A 88 88 LEU C C 88 175.946 175.271 0.675 1
1 1093 . 4 1 1 A 88 88 LEU CA C 88 53.675 53.838 -0.163 1
1 1094 . 4 1 1 A 88 88 LEU CB C 88 45.548 44.535 1.013 1
1 1098 . 4 1 1 A 88 88 LEU N N 88 125.942 122.997 2.945 1
1 1099 . 4 1 1 A 89 89 LEU H H 89 9.224 8.874 0.350 1
1 1100 . 4 1 1 A 89 89 LEU HA H 89 4.561 4.584 -0.023 1
1 1110 . 4 1 1 A 89 89 LEU C C 89 179.295 177.545 1.750 1
1 1111 . 4 1 1 A 89 89 LEU CA C 89 55.212 54.644 0.568 1
1 1112 . 4 1 1 A 89 89 LEU CB C 89 41.460 42.585 -1.125 1
1 1116 . 4 1 1 A 89 89 LEU N N 89 128.295 126.785 1.510 1
1 1117 . 4 1 1 A 90 90 VAL H H 90 7.665 8.789 -1.124 1
1 1118 . 4 1 1 A 90 90 VAL HA H 90 3.785 3.856 -0.071 1
1 1126 . 4 1 1 A 90 90 VAL C C 90 178.510 177.295 1.215 1
1 1127 . 4 1 1 A 90 90 VAL CA C 90 66.833 66.281 0.552 1
1 1128 . 4 1 1 A 90 90 VAL CB C 90 31.330 31.519 -0.189 1
1 1131 . 4 1 1 A 90 90 VAL N N 90 122.696 122.865 -0.169 1
1 1132 . 4 1 1 A 91 91 SER H H 91 8.134 8.205 -0.071 1
1 1133 . 4 1 1 A 91 91 SER HA H 91 4.280 4.260 0.020 1
1 1136 . 4 1 1 A 91 91 SER C C 91 175.328 176.094 -0.766 1
1 1137 . 4 1 1 A 91 91 SER CA C 91 59.822 60.294 -0.472 1
1 1138 . 4 1 1 A 91 91 SER CB C 91 62.512 62.779 -0.267 1
1 1139 . 4 1 1 A 91 91 SER N N 91 112.443 114.240 -1.797 1
1 1140 . 4 1 1 A 92 92 GLU H H 92 7.598 8.137 -0.539 1
1 1141 . 4 1 1 A 92 92 GLU HA H 92 4.221 4.266 -0.045 1
1 1146 . 4 1 1 A 92 92 GLU C C 92 175.722 177.079 -1.357 1
1 1147 . 4 1 1 A 92 92 GLU CA C 92 56.594 58.586 -1.992 1
1 1148 . 4 1 1 A 92 92 GLU CB C 92 29.511 29.605 -0.094 1
1 1150 . 4 1 1 A 92 92 GLU N N 92 120.359 120.649 -0.290 1
1 1151 . 4 1 1 A 93 93 VAL H H 93 7.486 7.341 0.145 1
1 1152 . 4 1 1 A 93 93 VAL HA H 93 4.046 4.019 0.027 1
1 1160 . 4 1 1 A 93 93 VAL C C 93 176.093 175.606 0.487 1
1 1161 . 4 1 1 A 93 93 VAL CA C 93 63.242 63.496 -0.254 1
1 1162 . 4 1 1 A 93 93 VAL CB C 93 32.306 31.878 0.428 1
1 1165 . 4 1 1 A 93 93 VAL N N 93 121.222 120.213 1.009 1
1 1166 . 4 1 1 A 94 94 THR H H 94 9.003 8.916 0.087 1
1 1167 . 4 1 1 A 94 94 THR HA H 94 4.264 4.281 -0.017 1
1 1172 . 4 1 1 A 94 94 THR C C 94 174.664 174.341 0.323 1
1 1173 . 4 1 1 A 94 94 THR CA C 94 64.438 64.265 0.173 1
1 1174 . 4 1 1 A 94 94 THR CB C 94 69.317 69.335 -0.018 1
1 1176 . 4 1 1 A 94 94 THR N N 94 124.794 120.230 4.564 1
1 1177 . 4 1 1 A 95 95 ARG H H 95 7.514 8.076 -0.562 1
1 1178 . 4 1 1 A 95 95 ARG HA H 95 4.646 4.826 -0.180 1
1 1186 . 4 1 1 A 95 95 ARG C C 95 172.989 173.448 -0.459 1
1 1187 . 4 1 1 A 95 95 ARG CA C 95 55.872 53.971 1.901 1
1 1188 . 4 1 1 A 95 95 ARG CB C 95 33.789 33.953 -0.164 1
1 1191 . 4 1 1 A 95 95 ARG N N 95 118.660 118.780 -0.120 1
1 1193 . 4 1 1 A 96 96 GLU H H 96 8.545 9.143 -0.598 1
1 1194 . 4 1 1 A 96 96 GLU HA H 96 5.329 4.961 0.368 1
1 1199 . 4 1 1 A 96 96 GLU C C 96 174.480 174.956 -0.476 1
1 1200 . 4 1 1 A 96 96 GLU CA C 96 53.415 55.050 -1.635 1
1 1201 . 4 1 1 A 96 96 GLU CB C 96 33.592 32.496 1.096 1
1 1203 . 4 1 1 A 96 96 GLU N N 96 121.828 126.224 -4.396 1
1 1204 . 4 1 1 A 97 97 ALA H H 97 8.276 8.287 -0.011 1
1 1205 . 4 1 1 A 97 97 ALA HA H 97 4.537 5.082 -0.545 1
1 1209 . 4 1 1 A 97 97 ALA C C 97 175.233 176.007 -0.774 1
1 1210 . 4 1 1 A 97 97 ALA CA C 97 51.368 50.926 0.442 1
1 1211 . 4 1 1 A 97 97 ALA CB C 97 22.101 21.221 0.880 1
1 1212 . 4 1 1 A 97 97 ALA N N 97 123.211 129.282 -6.071 1
1 1213 . 4 1 1 A 98 98 ASP H H 98 8.399 8.827 -0.428 1
1 1214 . 4 1 1 A 98 98 ASP HA H 98 4.850 4.660 0.190 1
1 1217 . 4 1 1 A 98 98 ASP C C 98 176.085 176.113 -0.028 1
1 1218 . 4 1 1 A 98 98 ASP CA C 98 54.824 54.787 0.037 1
1 1219 . 4 1 1 A 98 98 ASP CB C 98 41.694 41.612 0.082 1
1 1220 . 4 1 1 A 98 98 ASP N N 98 122.093 124.119 -2.026 1
1 1221 . 4 1 1 A 99 99 LEU H H 99 7.854 8.884 -1.030 1
1 1222 . 4 1 1 A 99 99 LEU HA H 99 4.766 4.526 0.240 1
1 1232 . 4 1 1 A 99 99 LEU C C 99 176.250 175.608 0.642 1
1 1233 . 4 1 1 A 99 99 LEU CA C 99 53.544 54.434 -0.890 1
1 1234 . 4 1 1 A 99 99 LEU CB C 99 44.229 40.510 3.719 1
1 1238 . 4 1 1 A 99 99 LEU N N 99 120.272 125.857 -5.585 1
1 1239 . 4 1 1 A 100 100 ASP H H 100 9.215 8.385 0.830 1
1 1240 . 4 1 1 A 100 100 ASP HA H 100 4.935 4.988 -0.053 1
1 1243 . 4 1 1 A 100 100 ASP C C 100 174.956 176.016 -1.060 1
1 1244 . 4 1 1 A 100 100 ASP CA C 100 52.684 54.028 -1.344 1
1 1245 . 4 1 1 A 100 100 ASP CB C 100 43.362 40.600 2.762 1
1 1246 . 4 1 1 A 100 100 ASP N N 100 123.325 125.844 -2.519 1
1 1247 . 4 1 1 A 101 101 LEU H H 101 8.526 8.801 -0.275 1
1 1248 . 4 1 1 A 101 101 LEU HA H 101 4.639 5.194 -0.555 1
1 1258 . 4 1 1 A 101 101 LEU C C 101 178.204 174.987 3.217 1
1 1259 . 4 1 1 A 101 101 LEU CA C 101 53.490 52.755 0.735 1
1 1260 . 4 1 1 A 101 101 LEU CB C 101 44.374 44.396 -0.022 1
1 1264 . 4 1 1 A 101 101 LEU N N 101 118.539 120.754 -2.215 1
1 1265 . 4 1 1 A 102 102 ASP H H 102 8.029 8.859 -0.830 1
1 1266 . 4 1 1 A 102 102 ASP HA H 102 4.615 4.992 -0.377 1
1 1269 . 4 1 1 A 102 102 ASP C C 102 178.176 175.369 2.807 1
1 1270 . 4 1 1 A 102 102 ASP CA C 102 52.297 52.542 -0.245 1
1 1271 . 4 1 1 A 102 102 ASP CB C 102 41.108 44.563 -3.455 1
1 1272 . 4 1 1 A 102 102 ASP N N 102 121.008 121.059 -0.051 1
1 1273 . 4 1 1 A 103 103 ALA H H 103 8.384 8.740 -0.356 1
1 1274 . 4 1 1 A 103 103 ALA HA H 103 4.099 3.868 0.231 1
1 1278 . 4 1 1 A 103 103 ALA C C 103 178.527 177.499 1.028 1
1 1279 . 4 1 1 A 103 103 ALA CA C 103 54.648 54.837 -0.189 1
1 1280 . 4 1 1 A 103 103 ALA CB C 103 18.604 17.989 0.615 1
1 1281 . 4 1 1 A 103 103 ALA N N 103 120.139 123.467 -3.328 1
1 1282 . 4 1 1 A 104 104 ASP H H 104 8.033 8.089 -0.056 1
1 1283 . 4 1 1 A 104 104 ASP HA H 104 4.811 4.668 0.143 1
1 1286 . 4 1 1 A 104 104 ASP C C 104 176.113 176.725 -0.612 1
1 1287 . 4 1 1 A 104 104 ASP CA C 104 54.077 54.066 0.011 1
1 1288 . 4 1 1 A 104 104 ASP CB C 104 41.899 41.593 0.306 1
1 1289 . 4 1 1 A 104 104 ASP N N 104 116.590 118.244 -1.654 1
1 1290 . 4 1 1 A 105 105 GLY H H 105 8.196 8.110 0.086 1
1 1291 . 4 1 1 A 105 105 GLY HA2 H 105 4.293 3.921 0.372 1
1 1292 . 4 1 1 A 105 105 GLY HA3 H 105 3.657 3.923 -0.266 1
1 1293 . 4 1 1 A 105 105 GLY C C 105 173.635 174.539 -0.904 1
1 1294 . 4 1 1 A 105 105 GLY CA C 105 45.741 46.144 -0.403 1
1 1295 . 4 1 1 A 105 105 GLY N N 105 107.882 109.114 -1.232 1
1 1296 . 4 1 1 A 106 106 VAL H H 106 8.886 7.796 1.090 1
1 1297 . 4 1 1 A 106 106 VAL HA H 106 4.082 4.358 -0.276 1
1 1305 . 4 1 1 A 106 106 VAL C C 106 175.529 175.103 0.426 1
1 1306 . 4 1 1 A 106 106 VAL CA C 106 61.360 59.219 2.141 1
1 1307 . 4 1 1 A 106 106 VAL CB C 106 32.373 32.994 -0.621 1
1 1310 . 4 1 1 A 106 106 VAL N N 106 125.585 121.520 4.065 1
1 1311 . 4 1 1 A 107 107 PRO HA H 107 4.737 4.533 0.204 1
1 1318 . 4 1 1 A 107 107 PRO C C 107 176.029 176.234 -0.205 1
1 1319 . 4 1 1 A 107 107 PRO CA C 107 62.674 62.755 -0.081 1
1 1320 . 4 1 1 A 107 107 PRO CB C 107 31.789 32.332 -0.543 1
1 1323 . 4 1 1 A 108 108 GLN H H 108 8.563 8.751 -0.188 1
1 1324 . 4 1 1 A 108 108 GLN HA H 108 4.498 4.406 0.092 1
1 1331 . 4 1 1 A 108 108 GLN C C 108 176.218 175.770 0.448 1
1 1332 . 4 1 1 A 108 108 GLN CA C 108 54.901 54.763 0.138 1
1 1333 . 4 1 1 A 108 108 GLN CB C 108 29.514 27.476 2.038 1
1 1336 . 4 1 1 A 108 108 GLN N N 108 122.641 122.544 0.097 1
1 1338 . 4 1 1 A 109 109 LEU H H 109 8.853 8.046 0.807 1
1 1339 . 4 1 1 A 109 109 LEU HA H 109 4.330 4.611 -0.281 1
1 1349 . 4 1 1 A 109 109 LEU C C 109 178.151 178.307 -0.156 1
1 1350 . 4 1 1 A 109 109 LEU CA C 109 56.522 55.077 1.445 1
1 1351 . 4 1 1 A 109 109 LEU CB C 109 41.883 42.149 -0.266 1
1 1355 . 4 1 1 A 109 109 LEU N N 109 125.974 125.604 0.370 1
1 1356 . 4 1 1 A 110 110 GLY H H 110 8.809 8.254 0.555 1
1 1357 . 4 1 1 A 110 110 GLY HA2 H 110 3.952 3.701 0.251 1
1 1358 . 4 1 1 A 110 110 GLY HA3 H 110 3.551 3.704 -0.153 1
1 1359 . 4 1 1 A 110 110 GLY C C 110 176.002 175.767 0.235 1
1 1360 . 4 1 1 A 110 110 GLY CA C 110 48.748 47.160 1.588 1
1 1361 . 4 1 1 A 110 110 GLY N N 110 109.442 107.866 1.576 1
1 1362 . 4 1 1 A 111 111 ASP H H 111 8.674 7.930 0.744 1
1 1363 . 4 1 1 A 111 111 ASP HA H 111 4.317 4.387 -0.070 1
1 1366 . 4 1 1 A 111 111 ASP C C 111 177.159 179.017 -1.858 1
1 1367 . 4 1 1 A 111 111 ASP CA C 111 56.239 56.463 -0.224 1
1 1368 . 4 1 1 A 111 111 ASP CB C 111 39.791 40.644 -0.853 1
1 1369 . 4 1 1 A 111 111 ASP N N 111 119.503 121.949 -2.446 1
1 1370 . 4 1 1 A 112 112 HIS H H 112 7.471 7.838 -0.367 1
1 1371 . 4 1 1 A 112 112 HIS HA H 112 4.481 4.390 0.091 1
1 1376 . 4 1 1 A 112 112 HIS C C 112 177.121 176.028 1.093 1
1 1377 . 4 1 1 A 112 112 HIS CA C 112 56.692 59.823 -3.131 1
1 1378 . 4 1 1 A 112 112 HIS CB C 112 31.648 30.966 0.682 1
1 1381 . 4 1 1 A 112 112 HIS N N 112 116.681 116.507 0.174 1
1 1382 . 4 1 1 A 113 113 LEU H H 113 7.526 7.613 -0.087 1
1 1383 . 4 1 1 A 113 113 LEU HA H 113 4.148 4.349 -0.201 1
1 1393 . 4 1 1 A 113 113 LEU C C 113 177.363 176.725 0.638 1
1 1394 . 4 1 1 A 113 113 LEU CA C 113 55.509 54.429 1.080 1
1 1395 . 4 1 1 A 113 113 LEU CB C 113 42.009 42.100 -0.091 1
1 1399 . 4 1 1 A 113 113 LEU N N 113 118.976 117.002 1.974 1
1 1400 . 4 1 1 A 114 114 ALA H H 114 7.648 8.725 -1.077 1
1 1401 . 4 1 1 A 114 114 ALA HA H 114 4.227 4.447 -0.220 1
1 1405 . 4 1 1 A 114 114 ALA C C 114 177.692 177.800 -0.108 1
1 1406 . 4 1 1 A 114 114 ALA CA C 114 52.828 51.991 0.837 1
1 1407 . 4 1 1 A 114 114 ALA CB C 114 18.497 18.347 0.150 1
1 1408 . 4 1 1 A 114 114 ALA N N 114 121.893 123.550 -1.657 1
1 1409 . 4 1 1 A 115 115 LEU H H 115 7.764 8.799 -1.035 1
1 1410 . 4 1 1 A 115 115 LEU HA H 115 4.146 4.362 -0.216 1
1 1420 . 4 1 1 A 115 115 LEU C C 115 177.819 178.784 -0.965 1
1 1421 . 4 1 1 A 115 115 LEU CA C 115 55.771 56.957 -1.186 1
1 1422 . 4 1 1 A 115 115 LEU CB C 115 42.000 42.655 -0.655 1
1 1426 . 4 1 1 A 115 115 LEU N N 115 119.576 126.785 -7.209 1
1 12 . 5 1 1 A 2 2 THR HA H 2 3.833 4.451 -0.618 1
1 17 . 5 1 1 A 2 2 THR C C 2 170.665 173.555 -2.890 1
1 18 . 5 1 1 A 2 2 THR CA C 2 62.154 62.143 0.011 1
1 19 . 5 1 1 A 2 2 THR CB C 2 69.580 67.981 1.599 1
1 21 . 5 1 1 A 3 3 LEU H H 3 9.068 8.674 0.394 1
1 22 . 5 1 1 A 3 3 LEU HA H 3 4.887 4.830 0.057 1
1 32 . 5 1 1 A 3 3 LEU C C 3 175.859 176.798 -0.939 1
1 33 . 5 1 1 A 3 3 LEU CA C 3 54.426 53.596 0.830 1
1 34 . 5 1 1 A 3 3 LEU CB C 3 43.222 41.985 1.237 1
1 38 . 5 1 1 A 3 3 LEU N N 3 129.030 128.393 0.637 1
1 39 . 5 1 1 A 4 4 ILE H H 4 8.897 8.877 0.020 1
1 40 . 5 1 1 A 4 4 ILE HA H 4 4.753 4.851 -0.098 1
1 50 . 5 1 1 A 4 4 ILE C C 4 174.211 174.396 -0.185 1
1 51 . 5 1 1 A 4 4 ILE CA C 4 59.998 59.674 0.324 1
1 52 . 5 1 1 A 4 4 ILE CB C 4 41.129 39.285 1.844 1
1 56 . 5 1 1 A 4 4 ILE N N 4 115.702 122.931 -7.229 1
1 57 . 5 1 1 A 5 5 TYR H H 5 9.050 9.235 -0.185 1
1 58 . 5 1 1 A 5 5 TYR HA H 5 5.770 5.663 0.107 1
1 65 . 5 1 1 A 5 5 TYR C C 5 175.987 174.172 1.815 1
1 66 . 5 1 1 A 5 5 TYR CA C 5 57.923 56.089 1.834 1
1 67 . 5 1 1 A 5 5 TYR CB C 5 42.963 41.653 1.310 1
1 72 . 5 1 1 A 5 5 TYR N N 5 114.414 122.393 -7.979 1
1 73 . 5 1 1 A 6 6 LYS H H 6 8.858 8.804 0.054 1
1 74 . 5 1 1 A 6 6 LYS HA H 6 4.813 4.924 -0.111 1
1 83 . 5 1 1 A 6 6 LYS C C 6 172.801 175.742 -2.941 1
1 84 . 5 1 1 A 6 6 LYS CA C 6 52.969 54.527 -1.558 1
1 85 . 5 1 1 A 6 6 LYS CB C 6 37.109 35.499 1.610 1
1 89 . 5 1 1 A 6 6 LYS N N 6 121.597 123.455 -1.858 1
1 90 . 5 1 1 A 7 7 ILE H H 7 8.277 8.561 -0.284 1
1 91 . 5 1 1 A 7 7 ILE HA H 7 4.702 4.538 0.164 1
1 101 . 5 1 1 A 7 7 ILE C C 7 173.742 175.495 -1.753 1
1 102 . 5 1 1 A 7 7 ILE CA C 7 60.340 60.110 0.230 1
1 103 . 5 1 1 A 7 7 ILE CB C 7 38.941 38.714 0.227 1
1 107 . 5 1 1 A 7 7 ILE N N 7 128.212 122.325 5.887 1
1 108 . 5 1 1 A 8 8 LEU H H 8 8.627 8.247 0.380 1
1 109 . 5 1 1 A 8 8 LEU HA H 8 4.757 4.809 -0.052 1
1 119 . 5 1 1 A 8 8 LEU C C 8 173.661 175.386 -1.725 1
1 120 . 5 1 1 A 8 8 LEU CA C 8 54.530 53.710 0.820 1
1 121 . 5 1 1 A 8 8 LEU CB C 8 43.617 44.760 -1.143 1
1 125 . 5 1 1 A 8 8 LEU N N 8 126.590 124.169 2.421 1
1 126 . 5 1 1 A 9 9 SER H H 9 8.546 8.683 -0.137 1
1 127 . 5 1 1 A 9 9 SER HA H 9 4.765 4.700 0.065 1
1 130 . 5 1 1 A 9 9 SER C C 9 175.160 175.331 -0.171 1
1 131 . 5 1 1 A 9 9 SER CA C 9 58.520 59.190 -0.670 1
1 132 . 5 1 1 A 9 9 SER CB C 9 65.227 63.679 1.548 1
1 133 . 5 1 1 A 9 9 SER N N 9 115.543 117.890 -2.347 1
1 134 . 5 1 1 A 10 10 ARG H H 10 9.080 9.024 0.056 1
1 135 . 5 1 1 A 10 10 ARG HA H 10 4.037 4.090 -0.053 1
1 143 . 5 1 1 A 10 10 ARG C C 10 177.847 178.126 -0.279 1
1 144 . 5 1 1 A 10 10 ARG CA C 10 59.210 59.967 -0.757 1
1 145 . 5 1 1 A 10 10 ARG CB C 10 28.776 29.858 -1.082 1
1 148 . 5 1 1 A 10 10 ARG N N 10 123.688 125.726 -2.038 1
1 150 . 5 1 1 A 11 11 ALA H H 11 8.753 8.239 0.514 1
1 151 . 5 1 1 A 11 11 ALA HA H 11 4.248 4.136 0.112 1
1 155 . 5 1 1 A 11 11 ALA C C 11 181.848 179.521 2.327 1
1 156 . 5 1 1 A 11 11 ALA CA C 11 55.483 54.941 0.542 1
1 157 . 5 1 1 A 11 11 ALA CB C 11 18.209 18.523 -0.314 1
1 158 . 5 1 1 A 11 11 ALA N N 11 119.698 121.623 -1.925 1
1 159 . 5 1 1 A 12 12 GLU H H 12 7.957 8.017 -0.060 1
1 160 . 5 1 1 A 12 12 GLU HA H 12 4.183 4.118 0.065 1
1 165 . 5 1 1 A 12 12 GLU C C 12 179.576 178.678 0.898 1
1 166 . 5 1 1 A 12 12 GLU CA C 12 59.103 59.391 -0.288 1
1 167 . 5 1 1 A 12 12 GLU CB C 12 31.077 29.548 1.529 1
1 169 . 5 1 1 A 12 12 GLU N N 12 118.210 118.646 -0.436 1
1 170 . 5 1 1 A 13 13 TRP H H 13 8.585 7.958 0.627 1
1 171 . 5 1 1 A 13 13 TRP HA H 13 4.937 4.188 0.749 1
1 180 . 5 1 1 A 13 13 TRP C C 13 176.827 178.161 -1.334 1
1 181 . 5 1 1 A 13 13 TRP CA C 13 57.845 60.811 -2.966 1
1 182 . 5 1 1 A 13 13 TRP CB C 13 31.010 29.470 1.540 1
1 188 . 5 1 1 A 13 13 TRP N N 13 123.646 121.990 1.656 1
1 190 . 5 1 1 A 14 14 ASP H H 14 9.260 8.442 0.818 1
1 191 . 5 1 1 A 14 14 ASP HA H 14 4.048 4.004 0.044 1
1 194 . 5 1 1 A 14 14 ASP C C 14 180.120 178.506 1.614 1
1 195 . 5 1 1 A 14 14 ASP CA C 14 57.767 57.181 0.586 1
1 196 . 5 1 1 A 14 14 ASP CB C 14 39.467 40.311 -0.844 1
1 197 . 5 1 1 A 14 14 ASP N N 14 120.253 118.857 1.396 1
1 198 . 5 1 1 A 15 15 ALA H H 15 7.599 7.748 -0.149 1
1 199 . 5 1 1 A 15 15 ALA HA H 15 4.163 4.094 0.069 1
1 203 . 5 1 1 A 15 15 ALA C C 15 180.115 179.508 0.607 1
1 204 . 5 1 1 A 15 15 ALA CA C 15 55.016 55.071 -0.055 1
1 205 . 5 1 1 A 15 15 ALA CB C 15 17.871 18.298 -0.427 1
1 206 . 5 1 1 A 15 15 ALA N N 15 122.164 122.542 -0.378 1
1 207 . 5 1 1 A 16 16 ALA H H 16 7.944 8.164 -0.220 1
1 208 . 5 1 1 A 16 16 ALA HA H 16 4.334 4.077 0.257 1
1 212 . 5 1 1 A 16 16 ALA C C 16 180.101 179.440 0.661 1
1 213 . 5 1 1 A 16 16 ALA CA C 16 54.659 55.114 -0.455 1
1 214 . 5 1 1 A 16 16 ALA CB C 16 19.107 18.259 0.848 1
1 215 . 5 1 1 A 16 16 ALA N N 16 122.526 119.740 2.786 1
1 216 . 5 1 1 A 17 17 LYS H H 17 8.317 7.979 0.338 1
1 217 . 5 1 1 A 17 17 LYS HA H 17 3.462 3.699 -0.237 1
1 226 . 5 1 1 A 17 17 LYS C C 17 179.126 178.314 0.812 1
1 227 . 5 1 1 A 17 17 LYS CA C 17 60.077 58.474 1.603 1
1 228 . 5 1 1 A 17 17 LYS CB C 17 31.431 31.782 -0.351 1
1 232 . 5 1 1 A 17 17 LYS N N 17 117.572 118.381 -0.809 1
1 233 . 5 1 1 A 18 18 ALA H H 18 7.296 8.313 -1.017 1
1 234 . 5 1 1 A 18 18 ALA HA H 18 4.100 3.977 0.123 1
1 238 . 5 1 1 A 18 18 ALA C C 18 178.940 179.807 -0.867 1
1 239 . 5 1 1 A 18 18 ALA CA C 18 54.513 54.678 -0.165 1
1 240 . 5 1 1 A 18 18 ALA CB C 18 18.132 18.151 -0.019 1
1 241 . 5 1 1 A 18 18 ALA N N 18 119.644 121.848 -2.204 1
1 242 . 5 1 1 A 19 19 GLN H H 19 7.443 7.543 -0.100 1
1 243 . 5 1 1 A 19 19 GLN HA H 19 4.535 4.205 0.330 1
1 250 . 5 1 1 A 19 19 GLN C C 19 176.607 176.672 -0.065 1
1 251 . 5 1 1 A 19 19 GLN CA C 19 55.755 55.980 -0.225 1
1 252 . 5 1 1 A 19 19 GLN CB C 19 30.075 28.921 1.154 1
1 255 . 5 1 1 A 19 19 GLN N N 19 113.538 115.118 -1.580 1
1 257 . 5 1 1 A 20 20 GLY H H 20 8.277 8.929 -0.652 1
1 258 . 5 1 1 A 20 20 GLY HA2 H 20 4.450 3.792 0.658 1
1 259 . 5 1 1 A 20 20 GLY HA3 H 20 3.627 3.823 -0.196 1
1 260 . 5 1 1 A 20 20 GLY C C 20 174.006 173.478 0.528 1
1 261 . 5 1 1 A 20 20 GLY CA C 20 45.567 45.615 -0.048 1
1 262 . 5 1 1 A 20 20 GLY N N 20 108.233 109.215 -0.982 1
1 263 . 5 1 1 A 21 21 ARG H H 21 7.786 7.444 0.342 1
1 264 . 5 1 1 A 21 21 ARG HA H 21 5.123 4.998 0.125 1
1 272 . 5 1 1 A 21 21 ARG C C 21 171.553 173.704 -2.151 1
1 273 . 5 1 1 A 21 21 ARG CA C 21 54.882 55.102 -0.220 1
1 274 . 5 1 1 A 21 21 ARG CB C 21 32.114 33.850 -1.736 1
1 277 . 5 1 1 A 21 21 ARG N N 21 116.837 120.238 -3.401 1
1 279 . 5 1 1 A 22 22 PHE H H 22 9.821 9.258 0.563 1
1 280 . 5 1 1 A 22 22 PHE HA H 22 5.185 5.399 -0.214 1
1 285 . 5 1 1 A 22 22 PHE C C 22 173.825 173.868 -0.043 1
1 286 . 5 1 1 A 22 22 PHE CA C 22 54.913 56.324 -1.411 1
1 287 . 5 1 1 A 22 22 PHE CB C 22 41.568 42.727 -1.159 1
1 290 . 5 1 1 A 22 22 PHE N N 22 121.680 127.552 -5.872 1
1 291 . 5 1 1 A 23 23 GLU H H 23 9.053 7.992 1.061 1
1 292 . 5 1 1 A 23 23 GLU HA H 23 3.893 4.323 -0.430 1
1 297 . 5 1 1 A 23 23 GLU C C 23 174.856 175.254 -0.398 1
1 298 . 5 1 1 A 23 23 GLU CA C 23 56.781 55.194 1.587 1
1 299 . 5 1 1 A 23 23 GLU CB C 23 29.990 29.611 0.379 1
1 301 . 5 1 1 A 23 23 GLU N N 23 125.059 123.962 1.097 1
1 302 . 5 1 1 A 24 24 GLY HA2 H 24 4.212 3.921 0.291 1
1 303 . 5 1 1 A 24 24 GLY HA3 H 24 3.112 3.934 -0.822 1
1 304 . 5 1 1 A 24 24 GLY C C 24 173.311 173.190 0.121 1
1 305 . 5 1 1 A 24 24 GLY CA C 24 45.104 44.334 0.770 1
1 306 . 5 1 1 A 25 25 SER H H 25 9.877 8.667 1.210 1
1 307 . 5 1 1 A 25 25 SER HA H 25 4.884 4.724 0.160 1
1 310 . 5 1 1 A 25 25 SER C C 25 173.788 175.697 -1.909 1
1 311 . 5 1 1 A 25 25 SER CA C 25 57.549 58.155 -0.606 1
1 312 . 5 1 1 A 25 25 SER CB C 25 65.383 64.289 1.094 1
1 313 . 5 1 1 A 25 25 SER N N 25 121.073 118.989 2.084 1
1 314 . 5 1 1 A 26 26 ALA H H 26 9.097 9.004 0.093 1
1 315 . 5 1 1 A 26 26 ALA HA H 26 3.964 3.998 -0.034 1
1 319 . 5 1 1 A 26 26 ALA C C 26 181.102 179.885 1.217 1
1 320 . 5 1 1 A 26 26 ALA CA C 26 56.670 55.685 0.985 1
1 321 . 5 1 1 A 26 26 ALA CB C 26 17.927 18.272 -0.345 1
1 322 . 5 1 1 A 26 26 ALA N N 26 123.398 124.809 -1.411 1
1 323 . 5 1 1 A 27 27 VAL H H 27 7.928 7.999 -0.071 1
1 324 . 5 1 1 A 27 27 VAL HA H 27 3.593 3.490 0.103 1
1 332 . 5 1 1 A 27 27 VAL C C 27 176.628 177.529 -0.901 1
1 333 . 5 1 1 A 27 27 VAL CA C 27 65.257 66.751 -1.494 1
1 334 . 5 1 1 A 27 27 VAL CB C 27 31.688 31.722 -0.034 1
1 337 . 5 1 1 A 27 27 VAL N N 27 117.697 118.099 -0.402 1
1 338 . 5 1 1 A 28 28 ASP H H 28 6.927 8.374 -1.447 1
1 339 . 5 1 1 A 28 28 ASP HA H 28 4.512 4.378 0.134 1
1 342 . 5 1 1 A 28 28 ASP C C 28 178.402 178.562 -0.160 1
1 343 . 5 1 1 A 28 28 ASP CA C 28 56.586 57.108 -0.522 1
1 344 . 5 1 1 A 28 28 ASP CB C 28 41.317 40.325 0.992 1
1 345 . 5 1 1 A 28 28 ASP N N 28 121.516 120.817 0.699 1
1 346 . 5 1 1 A 29 29 LEU H H 29 8.309 8.411 -0.102 1
1 347 . 5 1 1 A 29 29 LEU HA H 29 3.764 3.972 -0.208 1
1 357 . 5 1 1 A 29 29 LEU C C 29 180.093 178.522 1.571 1
1 358 . 5 1 1 A 29 29 LEU CA C 29 57.091 57.593 -0.502 1
1 359 . 5 1 1 A 29 29 LEU CB C 29 41.418 41.501 -0.083 1
1 363 . 5 1 1 A 29 29 LEU N N 29 118.648 121.442 -2.794 1
1 364 . 5 1 1 A 30 30 ALA H H 30 7.458 7.568 -0.110 1
1 365 . 5 1 1 A 30 30 ALA HA H 30 4.000 4.077 -0.077 1
1 369 . 5 1 1 A 30 30 ALA C C 30 179.371 179.119 0.252 1
1 370 . 5 1 1 A 30 30 ALA CA C 30 54.526 54.367 0.159 1
1 371 . 5 1 1 A 30 30 ALA CB C 30 18.102 18.355 -0.253 1
1 372 . 5 1 1 A 30 30 ALA N N 30 120.814 120.653 0.161 1
1 373 . 5 1 1 A 31 31 ASP H H 31 7.682 7.889 -0.207 1
1 374 . 5 1 1 A 31 31 ASP HA H 31 4.410 4.536 -0.126 1
1 377 . 5 1 1 A 31 31 ASP C C 31 176.610 176.083 0.527 1
1 378 . 5 1 1 A 31 31 ASP CA C 31 55.271 55.276 -0.005 1
1 379 . 5 1 1 A 31 31 ASP CB C 31 40.083 41.900 -1.817 1
1 380 . 5 1 1 A 31 31 ASP N N 31 117.191 117.495 -0.304 1
1 381 . 5 1 1 A 32 32 GLY H H 32 7.909 7.955 -0.046 1
1 382 . 5 1 1 A 32 32 GLY HA2 H 32 4.090 4.022 0.068 1
1 383 . 5 1 1 A 32 32 GLY HA3 H 32 3.597 4.064 -0.467 1
1 384 . 5 1 1 A 32 32 GLY C C 32 173.168 173.431 -0.263 1
1 385 . 5 1 1 A 32 32 GLY CA C 32 45.112 45.523 -0.411 1
1 386 . 5 1 1 A 32 32 GLY N N 32 106.983 106.876 0.107 1
1 387 . 5 1 1 A 33 33 PHE H H 33 7.233 7.365 -0.132 1
1 388 . 5 1 1 A 33 33 PHE HA H 33 4.212 5.033 -0.821 1
1 396 . 5 1 1 A 33 33 PHE C C 33 171.389 173.243 -1.854 1
1 397 . 5 1 1 A 33 33 PHE CA C 33 55.383 55.651 -0.268 1
1 398 . 5 1 1 A 33 33 PHE CB C 33 37.177 40.360 -3.183 1
1 404 . 5 1 1 A 33 33 PHE N N 33 115.364 115.096 0.268 1
1 405 . 5 1 1 A 34 34 ILE H H 34 8.637 8.263 0.374 1
1 406 . 5 1 1 A 34 34 ILE HA H 34 3.817 4.382 -0.565 1
1 416 . 5 1 1 A 34 34 ILE C C 34 177.018 174.987 2.031 1
1 417 . 5 1 1 A 34 34 ILE CA C 34 60.724 61.083 -0.359 1
1 418 . 5 1 1 A 34 34 ILE CB C 34 39.266 37.587 1.679 1
1 422 . 5 1 1 A 34 34 ILE N N 34 114.086 120.544 -6.458 1
1 423 . 5 1 1 A 35 35 HIS H H 35 9.203 8.476 0.727 1
1 424 . 5 1 1 A 35 35 HIS HA H 35 4.448 5.461 -1.013 1
1 428 . 5 1 1 A 35 35 HIS C C 35 175.740 174.549 1.191 1
1 429 . 5 1 1 A 35 35 HIS CA C 35 57.757 54.323 3.434 1
1 430 . 5 1 1 A 35 35 HIS CB C 35 29.758 30.936 -1.178 1
1 432 . 5 1 1 A 35 35 HIS N N 35 127.988 123.811 4.177 1
1 433 . 5 1 1 A 36 36 LEU H H 36 8.454 8.730 -0.276 1
1 434 . 5 1 1 A 36 36 LEU HA H 36 5.190 4.408 0.782 1
1 444 . 5 1 1 A 36 36 LEU C C 36 174.813 175.972 -1.159 1
1 445 . 5 1 1 A 36 36 LEU CA C 36 56.019 54.543 1.476 1
1 446 . 5 1 1 A 36 36 LEU CB C 36 44.541 42.373 2.168 1
1 450 . 5 1 1 A 36 36 LEU N N 36 126.075 127.161 -1.086 1
1 451 . 5 1 1 A 37 37 SER H H 37 9.128 8.424 0.704 1
1 452 . 5 1 1 A 37 37 SER HA H 37 5.277 5.238 0.039 1
1 455 . 5 1 1 A 37 37 SER C C 37 174.433 172.887 1.546 1
1 456 . 5 1 1 A 37 37 SER CA C 37 57.990 57.840 0.150 1
1 457 . 5 1 1 A 37 37 SER CB C 37 66.778 65.687 1.091 1
1 458 . 5 1 1 A 37 37 SER N N 37 112.795 117.014 -4.219 1
1 459 . 5 1 1 A 38 38 ALA H H 38 9.665 8.648 1.017 1
1 460 . 5 1 1 A 38 38 ALA HA H 38 4.973 4.728 0.245 1
1 464 . 5 1 1 A 38 38 ALA C C 38 179.640 177.947 1.693 1
1 465 . 5 1 1 A 38 38 ALA CA C 38 52.303 52.858 -0.555 1
1 466 . 5 1 1 A 38 38 ALA CB C 38 19.350 19.169 0.181 1
1 467 . 5 1 1 A 38 38 ALA N N 38 127.103 128.188 -1.085 1
1 468 . 5 1 1 A 39 39 GLY H H 39 10.159 8.898 1.261 1
1 469 . 5 1 1 A 39 39 GLY HA2 H 39 4.249 3.438 0.811 1
1 470 . 5 1 1 A 39 39 GLY HA3 H 39 3.720 3.728 -0.008 1
1 471 . 5 1 1 A 39 39 GLY C C 39 176.229 175.393 0.836 1
1 472 . 5 1 1 A 39 39 GLY CA C 39 49.163 47.049 2.114 1
1 473 . 5 1 1 A 39 39 GLY N N 39 112.007 114.855 -2.848 1
1 474 . 5 1 1 A 40 40 GLU H H 40 9.367 8.702 0.665 1
1 475 . 5 1 1 A 40 40 GLU HA H 40 4.234 3.945 0.289 1
1 480 . 5 1 1 A 40 40 GLU C C 40 176.417 179.319 -2.902 1
1 481 . 5 1 1 A 40 40 GLU CA C 40 58.622 59.837 -1.215 1
1 482 . 5 1 1 A 40 40 GLU CB C 40 28.796 29.510 -0.714 1
1 484 . 5 1 1 A 40 40 GLU N N 40 117.243 123.296 -6.053 1
1 485 . 5 1 1 A 41 41 GLN H H 41 7.503 8.074 -0.571 1
1 486 . 5 1 1 A 41 41 GLN HA H 41 4.752 4.117 0.635 1
1 493 . 5 1 1 A 41 41 GLN C C 41 177.730 178.416 -0.686 1
1 494 . 5 1 1 A 41 41 GLN CA C 41 55.626 58.370 -2.744 1
1 495 . 5 1 1 A 41 41 GLN CB C 41 30.653 28.441 2.212 1
1 498 . 5 1 1 A 41 41 GLN N N 41 115.837 117.785 -1.948 1
1 500 . 5 1 1 A 42 42 ALA H H 42 7.519 8.000 -0.481 1
1 501 . 5 1 1 A 42 42 ALA HA H 42 3.927 4.023 -0.096 1
1 505 . 5 1 1 A 42 42 ALA C C 42 177.826 178.740 -0.914 1
1 506 . 5 1 1 A 42 42 ALA CA C 42 56.706 55.484 1.222 1
1 507 . 5 1 1 A 42 42 ALA CB C 42 18.247 18.618 -0.371 1
1 508 . 5 1 1 A 42 42 ALA N N 42 123.105 122.806 0.299 1
1 509 . 5 1 1 A 43 43 GLN H H 43 9.203 7.999 1.204 1
1 510 . 5 1 1 A 43 43 GLN HA H 43 3.942 3.929 0.013 1
1 517 . 5 1 1 A 43 43 GLN C C 43 177.913 177.785 0.128 1
1 518 . 5 1 1 A 43 43 GLN CA C 43 58.678 59.088 -0.410 1
1 519 . 5 1 1 A 43 43 GLN CB C 43 28.815 28.726 0.089 1
1 522 . 5 1 1 A 43 43 GLN N N 43 118.650 117.804 0.846 1
1 524 . 5 1 1 A 44 44 GLU H H 44 8.611 7.960 0.651 1
1 525 . 5 1 1 A 44 44 GLU HA H 44 4.207 4.129 0.078 1
1 530 . 5 1 1 A 44 44 GLU C C 44 179.090 179.315 -0.225 1
1 531 . 5 1 1 A 44 44 GLU CA C 44 59.246 59.244 0.002 1
1 532 . 5 1 1 A 44 44 GLU CB C 44 28.850 29.715 -0.865 1
1 534 . 5 1 1 A 44 44 GLU N N 44 122.042 119.533 2.509 1
1 535 . 5 1 1 A 45 45 THR H H 45 8.292 8.142 0.150 1
1 536 . 5 1 1 A 45 45 THR HA H 45 4.123 4.161 -0.038 1
1 541 . 5 1 1 A 45 45 THR C C 45 176.228 176.668 -0.440 1
1 542 . 5 1 1 A 45 45 THR CA C 45 66.902 66.277 0.625 1
1 543 . 5 1 1 A 45 45 THR CB C 45 68.949 68.545 0.404 1
1 545 . 5 1 1 A 45 45 THR N N 45 117.583 116.939 0.644 1
1 546 . 5 1 1 A 46 46 ALA H H 46 8.275 8.723 -0.448 1
1 547 . 5 1 1 A 46 46 ALA HA H 46 4.255 4.250 0.005 1
1 551 . 5 1 1 A 46 46 ALA C C 46 178.630 180.277 -1.647 1
1 552 . 5 1 1 A 46 46 ALA CA C 46 55.406 55.313 0.093 1
1 553 . 5 1 1 A 46 46 ALA CB C 46 18.482 18.179 0.303 1
1 554 . 5 1 1 A 46 46 ALA N N 46 123.184 123.537 -0.353 1
1 555 . 5 1 1 A 47 47 ALA H H 47 8.066 7.918 0.148 1
1 556 . 5 1 1 A 47 47 ALA HA H 47 3.953 4.102 -0.149 1
1 560 . 5 1 1 A 47 47 ALA C C 47 178.552 179.758 -1.206 1
1 561 . 5 1 1 A 47 47 ALA CA C 47 55.030 54.721 0.309 1
1 562 . 5 1 1 A 47 47 ALA CB C 47 18.899 18.426 0.473 1
1 563 . 5 1 1 A 47 47 ALA N N 47 117.129 120.754 -3.625 1
1 564 . 5 1 1 A 48 48 LYS H H 48 8.089 7.967 0.122 1
1 565 . 5 1 1 A 48 48 LYS HA H 48 3.936 4.054 -0.118 1
1 574 . 5 1 1 A 48 48 LYS C C 48 179.130 177.986 1.144 1
1 575 . 5 1 1 A 48 48 LYS CA C 48 58.560 58.726 -0.166 1
1 576 . 5 1 1 A 48 48 LYS CB C 48 33.122 32.418 0.704 1
1 580 . 5 1 1 A 48 48 LYS N N 48 115.322 117.650 -2.328 1
1 581 . 5 1 1 A 49 49 TRP H H 49 7.978 8.188 -0.210 1
1 582 . 5 1 1 A 49 49 TRP HA H 49 4.807 4.453 0.354 1
1 591 . 5 1 1 A 49 49 TRP C C 49 176.923 177.454 -0.531 1
1 592 . 5 1 1 A 49 49 TRP CA C 49 57.157 58.788 -1.631 1
1 593 . 5 1 1 A 49 49 TRP CB C 49 31.461 30.548 0.913 1
1 599 . 5 1 1 A 49 49 TRP N N 49 114.492 118.624 -4.132 1
1 601 . 5 1 1 A 50 50 PHE H H 50 7.740 7.729 0.011 1
1 602 . 5 1 1 A 50 50 PHE HA H 50 4.925 4.758 0.167 1
1 608 . 5 1 1 A 50 50 PHE C C 50 174.160 175.338 -1.178 1
1 609 . 5 1 1 A 50 50 PHE CA C 50 57.772 57.469 0.303 1
1 610 . 5 1 1 A 50 50 PHE CB C 50 39.610 38.488 1.122 1
1 614 . 5 1 1 A 50 50 PHE N N 50 116.540 116.558 -0.018 1
1 615 . 5 1 1 A 51 51 ARG H H 51 7.389 7.726 -0.337 1
1 616 . 5 1 1 A 51 51 ARG HA H 51 4.198 4.028 0.170 1
1 624 . 5 1 1 A 51 51 ARG C C 51 179.130 177.258 1.872 1
1 625 . 5 1 1 A 51 51 ARG CA C 51 58.224 58.290 -0.066 1
1 626 . 5 1 1 A 51 51 ARG CB C 51 30.032 29.810 0.222 1
1 629 . 5 1 1 A 51 51 ARG N N 51 119.136 122.032 -2.896 1
1 631 . 5 1 1 A 52 52 GLY H H 52 10.264 8.937 1.327 1
1 632 . 5 1 1 A 52 52 GLY HA2 H 52 4.180 3.937 0.243 1
1 633 . 5 1 1 A 52 52 GLY HA3 H 52 3.745 3.941 -0.196 1
1 634 . 5 1 1 A 52 52 GLY C C 52 173.980 174.374 -0.394 1
1 635 . 5 1 1 A 52 52 GLY CA C 52 45.517 45.626 -0.109 1
1 636 . 5 1 1 A 52 52 GLY N N 52 114.192 114.654 -0.462 1
1 637 . 5 1 1 A 53 53 GLN H H 53 7.597 7.922 -0.325 1
1 638 . 5 1 1 A 53 53 GLN HA H 53 4.437 4.627 -0.190 1
1 645 . 5 1 1 A 53 53 GLN C C 53 172.934 174.720 -1.786 1
1 646 . 5 1 1 A 53 53 GLN CA C 53 56.280 55.739 0.541 1
1 647 . 5 1 1 A 53 53 GLN CB C 53 29.123 31.093 -1.970 1
1 650 . 5 1 1 A 53 53 GLN N N 53 120.438 119.206 1.232 1
1 652 . 5 1 1 A 54 54 ALA H H 54 8.190 8.695 -0.505 1
1 653 . 5 1 1 A 54 54 ALA HA H 54 4.344 4.882 -0.538 1
1 657 . 5 1 1 A 54 54 ALA C C 54 177.278 176.241 1.037 1
1 658 . 5 1 1 A 54 54 ALA CA C 54 51.377 50.478 0.899 1
1 659 . 5 1 1 A 54 54 ALA CB C 54 20.525 23.073 -2.548 1
1 660 . 5 1 1 A 54 54 ALA N N 54 124.528 121.331 3.197 1
1 661 . 5 1 1 A 55 55 ASN H H 55 8.903 8.887 0.016 1
1 662 . 5 1 1 A 55 55 ASN HA H 55 4.598 4.273 0.325 1
1 667 . 5 1 1 A 55 55 ASN C C 55 174.075 174.597 -0.522 1
1 668 . 5 1 1 A 55 55 ASN CA C 55 53.986 54.076 -0.090 1
1 669 . 5 1 1 A 55 55 ASN CB C 55 37.654 36.767 0.887 1
1 671 . 5 1 1 A 55 55 ASN N N 55 113.776 113.940 -0.164 1
1 673 . 5 1 1 A 56 56 LEU H H 56 8.543 7.972 0.571 1
1 674 . 5 1 1 A 56 56 LEU HA H 56 4.677 4.409 0.268 1
1 684 . 5 1 1 A 56 56 LEU C C 56 176.806 175.706 1.100 1
1 685 . 5 1 1 A 56 56 LEU CA C 56 54.383 54.332 0.051 1
1 686 . 5 1 1 A 56 56 LEU CB C 56 45.328 40.599 4.729 1
1 690 . 5 1 1 A 56 56 LEU N N 56 117.411 120.123 -2.712 1
1 691 . 5 1 1 A 57 57 VAL H H 57 9.207 8.939 0.268 1
1 692 . 5 1 1 A 57 57 VAL HA H 57 4.633 4.342 0.291 1
1 700 . 5 1 1 A 57 57 VAL C C 57 172.465 174.594 -2.129 1
1 701 . 5 1 1 A 57 57 VAL CA C 57 59.970 62.520 -2.550 1
1 702 . 5 1 1 A 57 57 VAL CB C 57 35.376 32.138 3.238 1
1 705 . 5 1 1 A 57 57 VAL N N 57 121.448 125.512 -4.064 1
1 706 . 5 1 1 A 58 58 LEU H H 58 8.855 9.052 -0.197 1
1 707 . 5 1 1 A 58 58 LEU HA H 58 4.763 4.701 0.062 1
1 717 . 5 1 1 A 58 58 LEU C C 58 175.349 174.707 0.642 1
1 718 . 5 1 1 A 58 58 LEU CA C 58 52.286 53.848 -1.562 1
1 719 . 5 1 1 A 58 58 LEU CB C 58 46.390 43.581 2.809 1
1 723 . 5 1 1 A 58 58 LEU N N 58 124.476 129.763 -5.287 1
1 724 . 5 1 1 A 59 59 LEU H H 59 9.265 8.810 0.455 1
1 725 . 5 1 1 A 59 59 LEU HA H 59 4.714 4.358 0.356 1
1 735 . 5 1 1 A 59 59 LEU C C 59 175.262 175.662 -0.400 1
1 736 . 5 1 1 A 59 59 LEU CA C 59 52.753 54.582 -1.829 1
1 737 . 5 1 1 A 59 59 LEU CB C 59 42.431 40.768 1.663 1
1 741 . 5 1 1 A 59 59 LEU N N 59 125.973 128.175 -2.202 1
1 742 . 5 1 1 A 60 60 ALA H H 60 8.331 8.841 -0.510 1
1 743 . 5 1 1 A 60 60 ALA HA H 60 4.739 4.896 -0.157 1
1 747 . 5 1 1 A 60 60 ALA C C 60 175.631 176.048 -0.417 1
1 748 . 5 1 1 A 60 60 ALA CA C 60 50.320 50.208 0.112 1
1 749 . 5 1 1 A 60 60 ALA CB C 60 21.744 20.349 1.395 1
1 750 . 5 1 1 A 60 60 ALA N N 60 124.617 128.300 -3.683 1
1 751 . 5 1 1 A 61 61 VAL H H 61 8.944 8.698 0.246 1
1 752 . 5 1 1 A 61 61 VAL HA H 61 4.244 4.696 -0.452 1
1 760 . 5 1 1 A 61 61 VAL C C 61 174.674 174.690 -0.016 1
1 761 . 5 1 1 A 61 61 VAL CA C 61 60.770 60.654 0.116 1
1 762 . 5 1 1 A 61 61 VAL CB C 61 36.636 35.137 1.499 1
1 765 . 5 1 1 A 61 61 VAL N N 61 124.079 123.552 0.527 1
1 766 . 5 1 1 A 62 62 GLU H H 62 8.490 8.826 -0.336 1
1 767 . 5 1 1 A 62 62 GLU HA H 62 4.551 4.434 0.117 1
1 772 . 5 1 1 A 62 62 GLU C C 62 177.700 176.145 1.555 1
1 773 . 5 1 1 A 62 62 GLU CA C 62 56.879 55.992 0.887 1
1 774 . 5 1 1 A 62 62 GLU CB C 62 29.372 28.416 0.956 1
1 776 . 5 1 1 A 62 62 GLU N N 62 127.752 127.548 0.204 1
1 777 . 5 1 1 A 63 63 ALA H H 63 9.173 8.340 0.833 1
1 778 . 5 1 1 A 63 63 ALA HA H 63 3.991 4.199 -0.208 1
1 782 . 5 1 1 A 63 63 ALA C C 63 180.311 177.885 2.426 1
1 783 . 5 1 1 A 63 63 ALA CA C 63 54.850 53.941 0.909 1
1 784 . 5 1 1 A 63 63 ALA CB C 63 19.495 19.384 0.111 1
1 785 . 5 1 1 A 63 63 ALA N N 63 127.466 126.376 1.090 1
1 786 . 5 1 1 A 64 64 GLU H H 64 9.571 7.920 1.651 1
1 787 . 5 1 1 A 64 64 GLU HA H 64 4.146 4.476 -0.330 1
1 792 . 5 1 1 A 64 64 GLU C C 64 177.102 175.646 1.456 1
1 793 . 5 1 1 A 64 64 GLU CA C 64 63.532 58.243 5.289 1
1 794 . 5 1 1 A 64 64 GLU CB C 64 25.742 28.593 -2.851 1
1 796 . 5 1 1 A 64 64 GLU N N 64 120.368 114.744 5.624 1
1 797 . 5 1 1 A 65 65 PRO HA H 65 4.440 4.636 -0.196 1
1 804 . 5 1 1 A 65 65 PRO C C 65 177.332 177.146 0.186 1
1 805 . 5 1 1 A 65 65 PRO CA C 65 64.973 62.424 2.549 1
1 806 . 5 1 1 A 65 65 PRO CB C 65 31.341 29.550 1.791 1
1 809 . 5 1 1 A 66 66 LEU H H 66 7.412 9.116 -1.704 1
1 810 . 5 1 1 A 66 66 LEU HA H 66 4.023 4.146 -0.123 1
1 820 . 5 1 1 A 66 66 LEU C C 66 178.533 177.301 1.232 1
1 821 . 5 1 1 A 66 66 LEU CA C 66 55.861 57.288 -1.427 1
1 822 . 5 1 1 A 66 66 LEU CB C 66 41.349 42.691 -1.342 1
1 826 . 5 1 1 A 66 66 LEU N N 66 114.991 123.583 -8.592 1
1 827 . 5 1 1 A 67 67 GLY H H 67 7.733 7.653 0.080 1
1 828 . 5 1 1 A 67 67 GLY HA2 H 67 4.018 4.201 -0.183 1
1 829 . 5 1 1 A 67 67 GLY HA3 H 67 3.909 4.216 -0.307 1
1 830 . 5 1 1 A 67 67 GLY C C 67 175.925 174.376 1.549 1
1 831 . 5 1 1 A 67 67 GLY CA C 67 46.054 45.887 0.167 1
1 832 . 5 1 1 A 67 67 GLY N N 67 104.242 104.265 -0.023 1
1 833 . 5 1 1 A 68 68 GLU H H 68 8.887 8.869 0.018 1
1 834 . 5 1 1 A 68 68 GLU HA H 68 4.219 4.174 0.045 1
1 839 . 5 1 1 A 68 68 GLU C C 68 176.314 178.615 -2.301 1
1 840 . 5 1 1 A 68 68 GLU CA C 68 57.652 59.254 -1.602 1
1 841 . 5 1 1 A 68 68 GLU CB C 68 29.306 29.421 -0.115 1
1 843 . 5 1 1 A 68 68 GLU N N 68 121.253 125.071 -3.818 1
1 844 . 5 1 1 A 69 69 ASP H H 69 7.630 8.588 -0.958 1
1 845 . 5 1 1 A 69 69 ASP HA H 69 4.587 4.534 0.053 1
1 848 . 5 1 1 A 69 69 ASP C C 69 174.665 176.174 -1.509 1
1 849 . 5 1 1 A 69 69 ASP CA C 69 56.078 56.878 -0.800 1
1 850 . 5 1 1 A 69 69 ASP CB C 69 41.572 39.873 1.699 1
1 851 . 5 1 1 A 69 69 ASP N N 69 116.486 118.357 -1.871 1
1 852 . 5 1 1 A 70 70 LEU H H 70 7.433 7.402 0.031 1
1 853 . 5 1 1 A 70 70 LEU HA H 70 4.854 4.483 0.371 1
1 863 . 5 1 1 A 70 70 LEU C C 70 174.259 175.754 -1.495 1
1 864 . 5 1 1 A 70 70 LEU CA C 70 53.281 54.451 -1.170 1
1 865 . 5 1 1 A 70 70 LEU CB C 70 43.024 42.431 0.593 1
1 869 . 5 1 1 A 70 70 LEU N N 70 121.585 120.486 1.099 1
1 870 . 5 1 1 A 71 71 LYS H H 71 9.114 9.155 -0.041 1
1 871 . 5 1 1 A 71 71 LYS HA H 71 4.724 4.917 -0.193 1
1 880 . 5 1 1 A 71 71 LYS C C 71 175.146 174.871 0.275 1
1 881 . 5 1 1 A 71 71 LYS CA C 71 54.024 54.826 -0.802 1
1 882 . 5 1 1 A 71 71 LYS CB C 71 35.469 34.125 1.344 1
1 886 . 5 1 1 A 71 71 LYS N N 71 126.179 127.806 -1.627 1
1 887 . 5 1 1 A 72 72 TRP H H 72 8.981 9.132 -0.151 1
1 888 . 5 1 1 A 72 72 TRP HA H 72 4.720 4.944 -0.224 1
1 897 . 5 1 1 A 72 72 TRP C C 72 176.394 175.952 0.442 1
1 898 . 5 1 1 A 72 72 TRP CA C 72 55.876 57.021 -1.145 1
1 899 . 5 1 1 A 72 72 TRP CB C 72 27.789 29.364 -1.575 1
1 905 . 5 1 1 A 72 72 TRP N N 72 125.904 128.284 -2.380 1
1 907 . 5 1 1 A 73 73 GLU H H 73 8.558 8.740 -0.182 1
1 908 . 5 1 1 A 73 73 GLU HA H 73 4.762 4.939 -0.177 1
1 913 . 5 1 1 A 73 73 GLU C C 73 175.459 175.568 -0.109 1
1 914 . 5 1 1 A 73 73 GLU CA C 73 55.208 54.842 0.366 1
1 915 . 5 1 1 A 73 73 GLU CB C 73 32.615 31.631 0.984 1
1 917 . 5 1 1 A 73 73 GLU N N 73 123.290 124.589 -1.299 1
1 918 . 5 1 1 A 74 74 ALA H H 74 8.962 8.634 0.328 1
1 919 . 5 1 1 A 74 74 ALA HA H 74 4.738 4.964 -0.226 1
1 923 . 5 1 1 A 74 74 ALA C C 74 177.803 177.926 -0.123 1
1 924 . 5 1 1 A 74 74 ALA CA C 74 52.246 52.208 0.038 1
1 925 . 5 1 1 A 74 74 ALA CB C 74 20.070 19.467 0.603 1
1 926 . 5 1 1 A 74 74 ALA N N 74 127.315 129.481 -2.166 1
1 927 . 5 1 1 A 75 75 SER H H 75 8.762 8.939 -0.177 1
1 928 . 5 1 1 A 75 75 SER HA H 75 4.850 4.603 0.247 1
1 931 . 5 1 1 A 75 75 SER C C 75 176.080 173.846 2.234 1
1 932 . 5 1 1 A 75 75 SER CA C 75 56.954 58.737 -1.783 1
1 933 . 5 1 1 A 75 75 SER CB C 75 65.244 64.264 0.980 1
1 934 . 5 1 1 A 75 75 SER N N 75 117.745 118.466 -0.721 1
1 935 . 5 1 1 A 76 76 ARG HA H 76 4.193 4.165 0.028 1
1 943 . 5 1 1 A 76 76 ARG CA C 76 58.895 57.033 1.862 1
1 944 . 5 1 1 A 76 76 ARG CB C 76 29.877 29.576 0.301 1
1 947 . 5 1 1 A 77 77 GLY C C 77 175.277 173.626 1.651 1
1 948 . 5 1 1 A 78 78 GLY H H 78 8.045 7.722 0.323 1
1 949 . 5 1 1 A 78 78 GLY HA2 H 78 4.390 4.117 0.273 1
1 950 . 5 1 1 A 78 78 GLY HA3 H 78 3.786 4.128 -0.342 1
1 951 . 5 1 1 A 78 78 GLY C C 78 173.503 173.017 0.486 1
1 952 . 5 1 1 A 78 78 GLY CA C 78 45.296 45.362 -0.066 1
1 953 . 5 1 1 A 78 78 GLY N N 78 110.323 106.860 3.463 1
1 954 . 5 1 1 A 79 79 ALA H H 79 7.879 8.503 -0.624 1
1 955 . 5 1 1 A 79 79 ALA HA H 79 4.357 3.748 0.609 1
1 959 . 5 1 1 A 79 79 ALA C C 79 176.674 176.374 0.300 1
1 960 . 5 1 1 A 79 79 ALA CA C 79 52.151 52.592 -0.441 1
1 961 . 5 1 1 A 79 79 ALA CB C 79 20.171 17.506 2.665 1
1 962 . 5 1 1 A 79 79 ALA N N 79 123.865 122.102 1.763 1
1 963 . 5 1 1 A 80 80 ARG H H 80 8.375 8.118 0.257 1
1 964 . 5 1 1 A 80 80 ARG HA H 80 4.629 4.605 0.024 1
1 972 . 5 1 1 A 80 80 ARG C C 80 175.713 175.567 0.146 1
1 973 . 5 1 1 A 80 80 ARG CA C 80 55.622 55.490 0.132 1
1 974 . 5 1 1 A 80 80 ARG CB C 80 32.074 30.251 1.823 1
1 977 . 5 1 1 A 80 80 ARG N N 80 119.145 119.528 -0.383 1
1 979 . 5 1 1 A 81 81 PHE H H 81 8.722 8.766 -0.044 1
1 980 . 5 1 1 A 81 81 PHE HA H 81 5.156 4.803 0.353 1
1 988 . 5 1 1 A 81 81 PHE C C 81 172.806 174.326 -1.520 1
1 989 . 5 1 1 A 81 81 PHE CA C 81 54.950 56.298 -1.348 1
1 990 . 5 1 1 A 81 81 PHE CB C 81 42.240 40.034 2.206 1
1 996 . 5 1 1 A 81 81 PHE N N 81 123.774 124.321 -0.547 1
1 997 . 5 1 1 A 82 82 PRO HA H 82 3.635 3.948 -0.313 1
1 1004 . 5 1 1 A 82 82 PRO C C 82 174.511 175.791 -1.280 1
1 1005 . 5 1 1 A 82 82 PRO CA C 82 61.347 62.269 -0.922 1
1 1006 . 5 1 1 A 82 82 PRO CB C 82 29.495 30.314 -0.819 1
1 1009 . 5 1 1 A 83 83 HIS H H 83 8.831 8.512 0.319 1
1 1010 . 5 1 1 A 83 83 HIS HA H 83 5.330 5.074 0.256 1
1 1014 . 5 1 1 A 83 83 HIS C C 83 172.952 174.013 -1.061 1
1 1015 . 5 1 1 A 83 83 HIS CA C 83 50.700 55.501 -4.801 1
1 1016 . 5 1 1 A 83 83 HIS CB C 83 33.238 30.889 2.349 1
1 1018 . 5 1 1 A 83 83 HIS N N 83 124.483 123.061 1.422 1
1 1019 . 5 1 1 A 84 84 LEU H H 84 9.063 8.796 0.267 1
1 1020 . 5 1 1 A 84 84 LEU HA H 84 5.163 5.179 -0.016 1
1 1030 . 5 1 1 A 84 84 LEU C C 84 176.699 176.103 0.596 1
1 1031 . 5 1 1 A 84 84 LEU CA C 84 53.829 53.264 0.565 1
1 1032 . 5 1 1 A 84 84 LEU CB C 84 45.366 44.716 0.650 1
1 1036 . 5 1 1 A 84 84 LEU N N 84 125.218 126.376 -1.158 1
1 1037 . 5 1 1 A 85 85 TYR H H 85 9.058 8.789 0.269 1
1 1038 . 5 1 1 A 85 85 TYR HA H 85 4.508 4.805 -0.297 1
1 1045 . 5 1 1 A 85 85 TYR C C 85 173.624 174.626 -1.002 1
1 1046 . 5 1 1 A 85 85 TYR CA C 85 60.034 57.202 2.832 1
1 1047 . 5 1 1 A 85 85 TYR CB C 85 36.073 37.928 -1.855 1
1 1052 . 5 1 1 A 85 85 TYR N N 85 131.339 126.762 4.577 1
1 1053 . 5 1 1 A 86 86 ARG H H 86 7.432 7.588 -0.156 1
1 1054 . 5 1 1 A 86 86 ARG HA H 86 4.682 4.902 -0.220 1
1 1062 . 5 1 1 A 86 86 ARG C C 86 171.917 173.517 -1.600 1
1 1063 . 5 1 1 A 86 86 ARG CA C 86 54.953 52.869 2.084 1
1 1064 . 5 1 1 A 86 86 ARG CB C 86 28.209 31.966 -3.757 1
1 1067 . 5 1 1 A 86 86 ARG N N 86 114.399 118.300 -3.901 1
1 1069 . 5 1 1 A 87 87 PRO HA H 87 4.303 4.756 -0.453 1
1 1076 . 5 1 1 A 87 87 PRO C C 87 175.771 176.025 -0.254 1
1 1077 . 5 1 1 A 87 87 PRO CA C 87 63.497 62.315 1.182 1
1 1078 . 5 1 1 A 87 87 PRO CB C 87 32.253 31.750 0.503 1
1 1081 . 5 1 1 A 88 88 LEU H H 88 8.095 8.467 -0.372 1
1 1082 . 5 1 1 A 88 88 LEU HA H 88 4.286 4.827 -0.541 1
1 1092 . 5 1 1 A 88 88 LEU C C 88 175.946 175.798 0.148 1
1 1093 . 5 1 1 A 88 88 LEU CA C 88 53.675 53.965 -0.290 1
1 1094 . 5 1 1 A 88 88 LEU CB C 88 45.548 43.605 1.943 1
1 1098 . 5 1 1 A 88 88 LEU N N 88 125.942 123.172 2.770 1
1 1099 . 5 1 1 A 89 89 LEU H H 89 9.224 8.637 0.587 1
1 1100 . 5 1 1 A 89 89 LEU HA H 89 4.561 4.368 0.193 1
1 1110 . 5 1 1 A 89 89 LEU C C 89 179.295 178.101 1.194 1
1 1111 . 5 1 1 A 89 89 LEU CA C 89 55.212 55.147 0.065 1
1 1112 . 5 1 1 A 89 89 LEU CB C 89 41.460 41.874 -0.414 1
1 1116 . 5 1 1 A 89 89 LEU N N 89 128.295 128.394 -0.099 1
1 1117 . 5 1 1 A 90 90 VAL H H 90 7.665 8.735 -1.070 1
1 1118 . 5 1 1 A 90 90 VAL HA H 90 3.785 4.117 -0.332 1
1 1126 . 5 1 1 A 90 90 VAL C C 90 178.510 177.080 1.430 1
1 1127 . 5 1 1 A 90 90 VAL CA C 90 66.833 65.230 1.603 1
1 1128 . 5 1 1 A 90 90 VAL CB C 90 31.330 31.878 -0.548 1
1 1131 . 5 1 1 A 90 90 VAL N N 90 122.696 125.585 -2.889 1
1 1132 . 5 1 1 A 91 91 SER H H 91 8.134 8.135 -0.001 1
1 1133 . 5 1 1 A 91 91 SER HA H 91 4.280 4.198 0.082 1
1 1136 . 5 1 1 A 91 91 SER C C 91 175.328 175.827 -0.499 1
1 1137 . 5 1 1 A 91 91 SER CA C 91 59.822 61.184 -1.362 1
1 1138 . 5 1 1 A 91 91 SER CB C 91 62.512 63.360 -0.848 1
1 1139 . 5 1 1 A 91 91 SER N N 91 112.443 117.501 -5.058 1
1 1140 . 5 1 1 A 92 92 GLU H H 92 7.598 7.949 -0.351 1
1 1141 . 5 1 1 A 92 92 GLU HA H 92 4.221 4.409 -0.188 1
1 1146 . 5 1 1 A 92 92 GLU C C 92 175.722 176.645 -0.923 1
1 1147 . 5 1 1 A 92 92 GLU CA C 92 56.594 56.567 0.027 1
1 1148 . 5 1 1 A 92 92 GLU CB C 92 29.511 30.172 -0.661 1
1 1150 . 5 1 1 A 92 92 GLU N N 92 120.359 118.318 2.041 1
1 1151 . 5 1 1 A 93 93 VAL H H 93 7.486 7.409 0.077 1
1 1152 . 5 1 1 A 93 93 VAL HA H 93 4.046 4.056 -0.010 1
1 1160 . 5 1 1 A 93 93 VAL C C 93 176.093 175.485 0.608 1
1 1161 . 5 1 1 A 93 93 VAL CA C 93 63.242 63.586 -0.344 1
1 1162 . 5 1 1 A 93 93 VAL CB C 93 32.306 31.653 0.653 1
1 1165 . 5 1 1 A 93 93 VAL N N 93 121.222 121.497 -0.275 1
1 1166 . 5 1 1 A 94 94 THR H H 94 9.003 8.789 0.214 1
1 1167 . 5 1 1 A 94 94 THR HA H 94 4.264 4.141 0.123 1
1 1172 . 5 1 1 A 94 94 THR C C 94 174.664 174.527 0.137 1
1 1173 . 5 1 1 A 94 94 THR CA C 94 64.438 64.500 -0.062 1
1 1174 . 5 1 1 A 94 94 THR CB C 94 69.317 69.246 0.071 1
1 1176 . 5 1 1 A 94 94 THR N N 94 124.794 122.303 2.491 1
1 1177 . 5 1 1 A 95 95 ARG H H 95 7.514 7.706 -0.192 1
1 1178 . 5 1 1 A 95 95 ARG HA H 95 4.646 4.783 -0.137 1
1 1186 . 5 1 1 A 95 95 ARG C C 95 172.989 173.952 -0.963 1
1 1187 . 5 1 1 A 95 95 ARG CA C 95 55.872 55.230 0.642 1
1 1188 . 5 1 1 A 95 95 ARG CB C 95 33.789 33.746 0.043 1
1 1191 . 5 1 1 A 95 95 ARG N N 95 118.660 117.831 0.829 1
1 1193 . 5 1 1 A 96 96 GLU H H 96 8.545 8.869 -0.324 1
1 1194 . 5 1 1 A 96 96 GLU HA H 96 5.329 4.920 0.409 1
1 1199 . 5 1 1 A 96 96 GLU C C 96 174.480 174.346 0.134 1
1 1200 . 5 1 1 A 96 96 GLU CA C 96 53.415 54.924 -1.509 1
1 1201 . 5 1 1 A 96 96 GLU CB C 96 33.592 30.930 2.662 1
1 1203 . 5 1 1 A 96 96 GLU N N 96 121.828 123.317 -1.489 1
1 1204 . 5 1 1 A 97 97 ALA H H 97 8.276 8.700 -0.424 1
1 1205 . 5 1 1 A 97 97 ALA HA H 97 4.537 4.500 0.037 1
1 1209 . 5 1 1 A 97 97 ALA C C 97 175.233 176.618 -1.385 1
1 1210 . 5 1 1 A 97 97 ALA CA C 97 51.368 51.615 -0.247 1
1 1211 . 5 1 1 A 97 97 ALA CB C 97 22.101 18.557 3.544 1
1 1212 . 5 1 1 A 97 97 ALA N N 97 123.211 129.107 -5.896 1
1 1213 . 5 1 1 A 98 98 ASP H H 98 8.399 8.099 0.300 1
1 1214 . 5 1 1 A 98 98 ASP HA H 98 4.850 4.776 0.074 1
1 1217 . 5 1 1 A 98 98 ASP C C 98 176.085 175.774 0.311 1
1 1218 . 5 1 1 A 98 98 ASP CA C 98 54.824 54.037 0.787 1
1 1219 . 5 1 1 A 98 98 ASP CB C 98 41.694 40.715 0.979 1
1 1220 . 5 1 1 A 98 98 ASP N N 98 122.093 123.224 -1.131 1
1 1221 . 5 1 1 A 99 99 LEU H H 99 7.854 8.421 -0.567 1
1 1222 . 5 1 1 A 99 99 LEU HA H 99 4.766 4.791 -0.025 1
1 1232 . 5 1 1 A 99 99 LEU C C 99 176.250 175.537 0.713 1
1 1233 . 5 1 1 A 99 99 LEU CA C 99 53.544 54.095 -0.551 1
1 1234 . 5 1 1 A 99 99 LEU CB C 99 44.229 43.819 0.410 1
1 1238 . 5 1 1 A 99 99 LEU N N 99 120.272 126.630 -6.358 1
1 1239 . 5 1 1 A 100 100 ASP H H 100 9.215 8.603 0.612 1
1 1240 . 5 1 1 A 100 100 ASP HA H 100 4.935 4.729 0.206 1
1 1243 . 5 1 1 A 100 100 ASP C C 100 174.956 176.487 -1.531 1
1 1244 . 5 1 1 A 100 100 ASP CA C 100 52.684 54.531 -1.847 1
1 1245 . 5 1 1 A 100 100 ASP CB C 100 43.362 41.532 1.830 1
1 1246 . 5 1 1 A 100 100 ASP N N 100 123.325 125.450 -2.125 1
1 1247 . 5 1 1 A 101 101 LEU H H 101 8.526 8.465 0.061 1
1 1248 . 5 1 1 A 101 101 LEU HA H 101 4.639 4.474 0.165 1
1 1258 . 5 1 1 A 101 101 LEU C C 101 178.204 176.357 1.847 1
1 1259 . 5 1 1 A 101 101 LEU CA C 101 53.490 54.932 -1.442 1
1 1260 . 5 1 1 A 101 101 LEU CB C 101 44.374 42.450 1.924 1
1 1264 . 5 1 1 A 101 101 LEU N N 101 118.539 122.966 -4.427 1
1 1265 . 5 1 1 A 102 102 ASP H H 102 8.029 8.765 -0.736 1
1 1266 . 5 1 1 A 102 102 ASP HA H 102 4.615 4.891 -0.276 1
1 1269 . 5 1 1 A 102 102 ASP C C 102 178.176 175.421 2.755 1
1 1270 . 5 1 1 A 102 102 ASP CA C 102 52.297 53.353 -1.056 1
1 1271 . 5 1 1 A 102 102 ASP CB C 102 41.108 44.240 -3.132 1
1 1272 . 5 1 1 A 102 102 ASP N N 102 121.008 121.818 -0.810 1
1 1273 . 5 1 1 A 103 103 ALA H H 103 8.384 8.745 -0.361 1
1 1274 . 5 1 1 A 103 103 ALA HA H 103 4.099 3.870 0.229 1
1 1278 . 5 1 1 A 103 103 ALA C C 103 178.527 177.226 1.301 1
1 1279 . 5 1 1 A 103 103 ALA CA C 103 54.648 54.825 -0.177 1
1 1280 . 5 1 1 A 103 103 ALA CB C 103 18.604 17.957 0.647 1
1 1281 . 5 1 1 A 103 103 ALA N N 103 120.139 124.038 -3.899 1
1 1282 . 5 1 1 A 104 104 ASP H H 104 8.033 8.105 -0.072 1
1 1283 . 5 1 1 A 104 104 ASP HA H 104 4.811 4.774 0.037 1
1 1286 . 5 1 1 A 104 104 ASP C C 104 176.113 176.370 -0.257 1
1 1287 . 5 1 1 A 104 104 ASP CA C 104 54.077 54.083 -0.006 1
1 1288 . 5 1 1 A 104 104 ASP CB C 104 41.899 41.795 0.104 1
1 1289 . 5 1 1 A 104 104 ASP N N 104 116.590 117.092 -0.502 1
1 1290 . 5 1 1 A 105 105 GLY H H 105 8.196 8.361 -0.165 1
1 1291 . 5 1 1 A 105 105 GLY HA2 H 105 4.293 4.075 0.218 1
1 1292 . 5 1 1 A 105 105 GLY HA3 H 105 3.657 4.077 -0.420 1
1 1293 . 5 1 1 A 105 105 GLY C C 105 173.635 174.177 -0.542 1
1 1294 . 5 1 1 A 105 105 GLY CA C 105 45.741 44.954 0.787 1
1 1295 . 5 1 1 A 105 105 GLY N N 105 107.882 107.430 0.452 1
1 1296 . 5 1 1 A 106 106 VAL H H 106 8.886 8.035 0.851 1
1 1297 . 5 1 1 A 106 106 VAL HA H 106 4.082 4.679 -0.597 1
1 1305 . 5 1 1 A 106 106 VAL C C 106 175.529 174.645 0.884 1
1 1306 . 5 1 1 A 106 106 VAL CA C 106 61.360 58.950 2.410 1
1 1307 . 5 1 1 A 106 106 VAL CB C 106 32.373 32.329 0.044 1
1 1310 . 5 1 1 A 106 106 VAL N N 106 125.585 121.479 4.106 1
1 1311 . 5 1 1 A 107 107 PRO HA H 107 4.737 4.276 0.461 1
1 1318 . 5 1 1 A 107 107 PRO C C 107 176.029 177.387 -1.358 1
1 1319 . 5 1 1 A 107 107 PRO CA C 107 62.674 66.038 -3.364 1
1 1320 . 5 1 1 A 107 107 PRO CB C 107 31.789 31.367 0.422 1
1 1323 . 5 1 1 A 108 108 GLN H H 108 8.563 7.940 0.623 1
1 1324 . 5 1 1 A 108 108 GLN HA H 108 4.498 3.974 0.524 1
1 1331 . 5 1 1 A 108 108 GLN C C 108 176.218 176.953 -0.735 1
1 1332 . 5 1 1 A 108 108 GLN CA C 108 54.901 57.859 -2.958 1
1 1333 . 5 1 1 A 108 108 GLN CB C 108 29.514 27.067 2.447 1
1 1336 . 5 1 1 A 108 108 GLN N N 108 122.641 117.757 4.884 1
1 1338 . 5 1 1 A 109 109 LEU H H 109 8.853 8.589 0.264 1
1 1339 . 5 1 1 A 109 109 LEU HA H 109 4.330 3.988 0.342 1
1 1349 . 5 1 1 A 109 109 LEU C C 109 178.151 178.394 -0.243 1
1 1350 . 5 1 1 A 109 109 LEU CA C 109 56.522 56.069 0.453 1
1 1351 . 5 1 1 A 109 109 LEU CB C 109 41.883 41.071 0.812 1
1 1355 . 5 1 1 A 109 109 LEU N N 109 125.974 124.975 0.999 1
1 1356 . 5 1 1 A 110 110 GLY H H 110 8.809 7.950 0.859 1
1 1357 . 5 1 1 A 110 110 GLY HA2 H 110 3.952 3.920 0.032 1
1 1358 . 5 1 1 A 110 110 GLY HA3 H 110 3.551 3.925 -0.374 1
1 1359 . 5 1 1 A 110 110 GLY C C 110 176.002 175.170 0.832 1
1 1360 . 5 1 1 A 110 110 GLY CA C 110 48.748 46.814 1.934 1
1 1361 . 5 1 1 A 110 110 GLY N N 110 109.442 108.432 1.010 1
1 1362 . 5 1 1 A 111 111 ASP H H 111 8.674 8.340 0.334 1
1 1363 . 5 1 1 A 111 111 ASP HA H 111 4.317 4.703 -0.386 1
1 1366 . 5 1 1 A 111 111 ASP C C 111 177.159 178.076 -0.917 1
1 1367 . 5 1 1 A 111 111 ASP CA C 111 56.239 55.482 0.757 1
1 1368 . 5 1 1 A 111 111 ASP CB C 111 39.791 41.518 -1.727 1
1 1369 . 5 1 1 A 111 111 ASP N N 111 119.503 118.928 0.575 1
1 1370 . 5 1 1 A 112 112 HIS H H 112 7.471 7.957 -0.486 1
1 1371 . 5 1 1 A 112 112 HIS HA H 112 4.481 4.357 0.124 1
1 1376 . 5 1 1 A 112 112 HIS C C 112 177.121 175.254 1.867 1
1 1377 . 5 1 1 A 112 112 HIS CA C 112 56.692 59.734 -3.042 1
1 1378 . 5 1 1 A 112 112 HIS CB C 112 31.648 30.794 0.854 1
1 1381 . 5 1 1 A 112 112 HIS N N 112 116.681 117.030 -0.349 1
1 1382 . 5 1 1 A 113 113 LEU H H 113 7.526 8.095 -0.569 1
1 1383 . 5 1 1 A 113 113 LEU HA H 113 4.148 4.523 -0.375 1
1 1393 . 5 1 1 A 113 113 LEU C C 113 177.363 176.363 1.000 1
1 1394 . 5 1 1 A 113 113 LEU CA C 113 55.509 53.689 1.820 1
1 1395 . 5 1 1 A 113 113 LEU CB C 113 42.009 43.822 -1.813 1
1 1399 . 5 1 1 A 113 113 LEU N N 113 118.976 117.791 1.185 1
1 1400 . 5 1 1 A 114 114 ALA H H 114 7.648 8.586 -0.938 1
1 1401 . 5 1 1 A 114 114 ALA HA H 114 4.227 3.925 0.302 1
1 1405 . 5 1 1 A 114 114 ALA C C 114 177.692 176.957 0.735 1
1 1406 . 5 1 1 A 114 114 ALA CA C 114 52.828 53.144 -0.316 1
1 1407 . 5 1 1 A 114 114 ALA CB C 114 18.497 17.939 0.558 1
1 1408 . 5 1 1 A 114 114 ALA N N 114 121.893 121.424 0.469 1
1 1409 . 5 1 1 A 115 115 LEU H H 115 7.764 7.803 -0.039 1
1 1410 . 5 1 1 A 115 115 LEU HA H 115 4.146 4.333 -0.187 1
1 1420 . 5 1 1 A 115 115 LEU C C 115 177.819 176.083 1.736 1
1 1421 . 5 1 1 A 115 115 LEU CA C 115 55.771 54.433 1.338 1
1 1422 . 5 1 1 A 115 115 LEU CB C 115 42.000 41.012 0.988 1
1 1426 . 5 1 1 A 115 115 LEU N N 115 119.576 114.775 4.801 1
1 12 . 6 1 1 A 2 2 THR HA H 2 3.833 4.812 -0.979 1
1 17 . 6 1 1 A 2 2 THR C C 2 170.665 173.953 -3.288 1
1 18 . 6 1 1 A 2 2 THR CA C 2 62.154 62.554 -0.400 1
1 19 . 6 1 1 A 2 2 THR CB C 2 69.580 69.016 0.564 1
1 21 . 6 1 1 A 3 3 LEU H H 3 9.068 8.980 0.088 1
1 22 . 6 1 1 A 3 3 LEU HA H 3 4.887 4.474 0.413 1
1 32 . 6 1 1 A 3 3 LEU C C 3 175.859 176.056 -0.197 1
1 33 . 6 1 1 A 3 3 LEU CA C 3 54.426 53.903 0.523 1
1 34 . 6 1 1 A 3 3 LEU CB C 3 43.222 41.008 2.214 1
1 38 . 6 1 1 A 3 3 LEU N N 3 129.030 128.322 0.708 1
1 39 . 6 1 1 A 4 4 ILE H H 4 8.897 8.789 0.108 1
1 40 . 6 1 1 A 4 4 ILE HA H 4 4.753 4.811 -0.058 1
1 50 . 6 1 1 A 4 4 ILE C C 4 174.211 174.344 -0.133 1
1 51 . 6 1 1 A 4 4 ILE CA C 4 59.998 59.289 0.709 1
1 52 . 6 1 1 A 4 4 ILE CB C 4 41.129 39.671 1.458 1
1 56 . 6 1 1 A 4 4 ILE N N 4 115.702 122.500 -6.798 1
1 57 . 6 1 1 A 5 5 TYR H H 5 9.050 9.322 -0.272 1
1 58 . 6 1 1 A 5 5 TYR HA H 5 5.770 5.716 0.054 1
1 65 . 6 1 1 A 5 5 TYR C C 5 175.987 174.799 1.188 1
1 66 . 6 1 1 A 5 5 TYR CA C 5 57.923 56.631 1.292 1
1 67 . 6 1 1 A 5 5 TYR CB C 5 42.963 42.056 0.907 1
1 72 . 6 1 1 A 5 5 TYR N N 5 114.414 123.730 -9.316 1
1 73 . 6 1 1 A 6 6 LYS H H 6 8.858 8.329 0.529 1
1 74 . 6 1 1 A 6 6 LYS HA H 6 4.813 4.696 0.117 1
1 83 . 6 1 1 A 6 6 LYS C C 6 172.801 174.219 -1.418 1
1 84 . 6 1 1 A 6 6 LYS CA C 6 52.969 55.582 -2.613 1
1 85 . 6 1 1 A 6 6 LYS CB C 6 37.109 36.268 0.841 1
1 89 . 6 1 1 A 6 6 LYS N N 6 121.597 121.226 0.371 1
1 90 . 6 1 1 A 7 7 ILE H H 7 8.277 8.506 -0.229 1
1 91 . 6 1 1 A 7 7 ILE HA H 7 4.702 4.880 -0.178 1
1 101 . 6 1 1 A 7 7 ILE C C 7 173.742 174.381 -0.639 1
1 102 . 6 1 1 A 7 7 ILE CA C 7 60.340 59.393 0.947 1
1 103 . 6 1 1 A 7 7 ILE CB C 7 38.941 39.051 -0.110 1
1 107 . 6 1 1 A 7 7 ILE N N 7 128.212 128.082 0.130 1
1 108 . 6 1 1 A 8 8 LEU H H 8 8.627 8.271 0.356 1
1 109 . 6 1 1 A 8 8 LEU HA H 8 4.757 4.769 -0.012 1
1 119 . 6 1 1 A 8 8 LEU C C 8 173.661 174.725 -1.064 1
1 120 . 6 1 1 A 8 8 LEU CA C 8 54.530 53.656 0.874 1
1 121 . 6 1 1 A 8 8 LEU CB C 8 43.617 44.981 -1.364 1
1 125 . 6 1 1 A 8 8 LEU N N 8 126.590 123.726 2.864 1
1 126 . 6 1 1 A 9 9 SER H H 9 8.546 8.739 -0.193 1
1 127 . 6 1 1 A 9 9 SER HA H 9 4.765 4.761 0.004 1
1 130 . 6 1 1 A 9 9 SER C C 9 175.160 175.765 -0.605 1
1 131 . 6 1 1 A 9 9 SER CA C 9 58.520 58.453 0.067 1
1 132 . 6 1 1 A 9 9 SER CB C 9 65.227 63.809 1.418 1
1 133 . 6 1 1 A 9 9 SER N N 9 115.543 116.199 -0.656 1
1 134 . 6 1 1 A 10 10 ARG H H 10 9.080 9.154 -0.074 1
1 135 . 6 1 1 A 10 10 ARG HA H 10 4.037 4.084 -0.047 1
1 143 . 6 1 1 A 10 10 ARG C C 10 177.847 178.217 -0.370 1
1 144 . 6 1 1 A 10 10 ARG CA C 10 59.210 60.171 -0.961 1
1 145 . 6 1 1 A 10 10 ARG CB C 10 28.776 30.068 -1.292 1
1 148 . 6 1 1 A 10 10 ARG N N 10 123.688 127.703 -4.015 1
1 150 . 6 1 1 A 11 11 ALA H H 11 8.753 7.935 0.818 1
1 151 . 6 1 1 A 11 11 ALA HA H 11 4.248 4.066 0.182 1
1 155 . 6 1 1 A 11 11 ALA C C 11 181.848 179.139 2.709 1
1 156 . 6 1 1 A 11 11 ALA CA C 11 55.483 54.760 0.723 1
1 157 . 6 1 1 A 11 11 ALA CB C 11 18.209 18.118 0.091 1
1 158 . 6 1 1 A 11 11 ALA N N 11 119.698 121.149 -1.451 1
1 159 . 6 1 1 A 12 12 GLU H H 12 7.957 7.596 0.361 1
1 160 . 6 1 1 A 12 12 GLU HA H 12 4.183 4.321 -0.138 1
1 165 . 6 1 1 A 12 12 GLU C C 12 179.576 178.779 0.797 1
1 166 . 6 1 1 A 12 12 GLU CA C 12 59.103 58.750 0.353 1
1 167 . 6 1 1 A 12 12 GLU CB C 12 31.077 30.509 0.568 1
1 169 . 6 1 1 A 12 12 GLU N N 12 118.210 117.209 1.001 1
1 170 . 6 1 1 A 13 13 TRP H H 13 8.585 8.235 0.350 1
1 171 . 6 1 1 A 13 13 TRP HA H 13 4.937 4.277 0.660 1
1 180 . 6 1 1 A 13 13 TRP C C 13 176.827 177.941 -1.114 1
1 181 . 6 1 1 A 13 13 TRP CA C 13 57.845 60.941 -3.096 1
1 182 . 6 1 1 A 13 13 TRP CB C 13 31.010 29.724 1.286 1
1 188 . 6 1 1 A 13 13 TRP N N 13 123.646 122.251 1.395 1
1 190 . 6 1 1 A 14 14 ASP H H 14 9.260 8.628 0.632 1
1 191 . 6 1 1 A 14 14 ASP HA H 14 4.048 4.023 0.025 1
1 194 . 6 1 1 A 14 14 ASP C C 14 180.120 178.595 1.525 1
1 195 . 6 1 1 A 14 14 ASP CA C 14 57.767 57.186 0.581 1
1 196 . 6 1 1 A 14 14 ASP CB C 14 39.467 39.999 -0.532 1
1 197 . 6 1 1 A 14 14 ASP N N 14 120.253 118.340 1.913 1
1 198 . 6 1 1 A 15 15 ALA H H 15 7.599 8.084 -0.485 1
1 199 . 6 1 1 A 15 15 ALA HA H 15 4.163 4.086 0.077 1
1 203 . 6 1 1 A 15 15 ALA C C 15 180.115 179.628 0.487 1
1 204 . 6 1 1 A 15 15 ALA CA C 15 55.016 54.835 0.181 1
1 205 . 6 1 1 A 15 15 ALA CB C 15 17.871 17.961 -0.090 1
1 206 . 6 1 1 A 15 15 ALA N N 15 122.164 122.650 -0.486 1
1 207 . 6 1 1 A 16 16 ALA H H 16 7.944 7.833 0.111 1
1 208 . 6 1 1 A 16 16 ALA HA H 16 4.334 4.141 0.193 1
1 212 . 6 1 1 A 16 16 ALA C C 16 180.101 179.455 0.646 1
1 213 . 6 1 1 A 16 16 ALA CA C 16 54.659 55.035 -0.376 1
1 214 . 6 1 1 A 16 16 ALA CB C 16 19.107 18.029 1.078 1
1 215 . 6 1 1 A 16 16 ALA N N 16 122.526 120.382 2.144 1
1 216 . 6 1 1 A 17 17 LYS H H 17 8.317 8.009 0.308 1
1 217 . 6 1 1 A 17 17 LYS HA H 17 3.462 3.782 -0.320 1
1 226 . 6 1 1 A 17 17 LYS C C 17 179.126 178.909 0.217 1
1 227 . 6 1 1 A 17 17 LYS CA C 17 60.077 59.513 0.564 1
1 228 . 6 1 1 A 17 17 LYS CB C 17 31.431 31.778 -0.347 1
1 232 . 6 1 1 A 17 17 LYS N N 17 117.572 116.330 1.242 1
1 233 . 6 1 1 A 18 18 ALA H H 18 7.296 8.069 -0.773 1
1 234 . 6 1 1 A 18 18 ALA HA H 18 4.100 4.007 0.093 1
1 238 . 6 1 1 A 18 18 ALA C C 18 178.940 178.859 0.081 1
1 239 . 6 1 1 A 18 18 ALA CA C 18 54.513 54.735 -0.222 1
1 240 . 6 1 1 A 18 18 ALA CB C 18 18.132 18.611 -0.479 1
1 241 . 6 1 1 A 18 18 ALA N N 18 119.644 121.824 -2.180 1
1 242 . 6 1 1 A 19 19 GLN H H 19 7.443 7.474 -0.031 1
1 243 . 6 1 1 A 19 19 GLN HA H 19 4.535 4.262 0.273 1
1 250 . 6 1 1 A 19 19 GLN C C 19 176.607 177.317 -0.710 1
1 251 . 6 1 1 A 19 19 GLN CA C 19 55.755 54.887 0.868 1
1 252 . 6 1 1 A 19 19 GLN CB C 19 30.075 28.016 2.059 1
1 255 . 6 1 1 A 19 19 GLN N N 19 113.538 112.456 1.082 1
1 257 . 6 1 1 A 20 20 GLY H H 20 8.277 8.676 -0.399 1
1 258 . 6 1 1 A 20 20 GLY HA2 H 20 4.450 3.796 0.654 1
1 259 . 6 1 1 A 20 20 GLY HA3 H 20 3.627 3.829 -0.202 1
1 260 . 6 1 1 A 20 20 GLY C C 20 174.006 173.346 0.660 1
1 261 . 6 1 1 A 20 20 GLY CA C 20 45.567 45.663 -0.096 1
1 262 . 6 1 1 A 20 20 GLY N N 20 108.233 111.456 -3.223 1
1 263 . 6 1 1 A 21 21 ARG H H 21 7.786 7.694 0.092 1
1 264 . 6 1 1 A 21 21 ARG HA H 21 5.123 4.898 0.225 1
1 272 . 6 1 1 A 21 21 ARG C C 21 171.553 174.386 -2.833 1
1 273 . 6 1 1 A 21 21 ARG CA C 21 54.882 54.142 0.740 1
1 274 . 6 1 1 A 21 21 ARG CB C 21 32.114 33.277 -1.163 1
1 277 . 6 1 1 A 21 21 ARG N N 21 116.837 120.128 -3.291 1
1 279 . 6 1 1 A 22 22 PHE H H 22 9.821 9.588 0.233 1
1 280 . 6 1 1 A 22 22 PHE HA H 22 5.185 4.847 0.338 1
1 285 . 6 1 1 A 22 22 PHE C C 22 173.825 175.007 -1.182 1
1 286 . 6 1 1 A 22 22 PHE CA C 22 54.913 57.001 -2.088 1
1 287 . 6 1 1 A 22 22 PHE CB C 22 41.568 39.946 1.622 1
1 290 . 6 1 1 A 22 22 PHE N N 22 121.680 125.410 -3.730 1
1 291 . 6 1 1 A 23 23 GLU H H 23 9.053 8.741 0.312 1
1 292 . 6 1 1 A 23 23 GLU HA H 23 3.893 4.404 -0.511 1
1 297 . 6 1 1 A 23 23 GLU C C 23 174.856 176.547 -1.691 1
1 298 . 6 1 1 A 23 23 GLU CA C 23 56.781 56.155 0.626 1
1 299 . 6 1 1 A 23 23 GLU CB C 23 29.990 30.724 -0.734 1
1 301 . 6 1 1 A 23 23 GLU N N 23 125.059 127.663 -2.604 1
1 302 . 6 1 1 A 24 24 GLY HA2 H 24 4.212 3.499 0.713 1
1 303 . 6 1 1 A 24 24 GLY HA3 H 24 3.112 3.746 -0.634 1
1 304 . 6 1 1 A 24 24 GLY C C 24 173.311 173.081 0.230 1
1 305 . 6 1 1 A 24 24 GLY CA C 24 45.104 44.286 0.818 1
1 306 . 6 1 1 A 25 25 SER H H 25 9.877 8.093 1.784 1
1 307 . 6 1 1 A 25 25 SER HA H 25 4.884 4.646 0.238 1
1 310 . 6 1 1 A 25 25 SER C C 25 173.788 175.635 -1.847 1
1 311 . 6 1 1 A 25 25 SER CA C 25 57.549 57.294 0.255 1
1 312 . 6 1 1 A 25 25 SER CB C 25 65.383 66.064 -0.681 1
1 313 . 6 1 1 A 25 25 SER N N 25 121.073 113.350 7.723 1
1 314 . 6 1 1 A 26 26 ALA H H 26 9.097 9.001 0.096 1
1 315 . 6 1 1 A 26 26 ALA HA H 26 3.964 3.906 0.058 1
1 319 . 6 1 1 A 26 26 ALA C C 26 181.102 179.745 1.357 1
1 320 . 6 1 1 A 26 26 ALA CA C 26 56.670 55.304 1.366 1
1 321 . 6 1 1 A 26 26 ALA CB C 26 17.927 18.371 -0.444 1
1 322 . 6 1 1 A 26 26 ALA N N 26 123.398 123.944 -0.546 1
1 323 . 6 1 1 A 27 27 VAL H H 27 7.928 7.883 0.045 1
1 324 . 6 1 1 A 27 27 VAL HA H 27 3.593 3.342 0.251 1
1 332 . 6 1 1 A 27 27 VAL C C 27 176.628 177.325 -0.697 1
1 333 . 6 1 1 A 27 27 VAL CA C 27 65.257 66.683 -1.426 1
1 334 . 6 1 1 A 27 27 VAL CB C 27 31.688 31.340 0.348 1
1 337 . 6 1 1 A 27 27 VAL N N 27 117.697 118.553 -0.856 1
1 338 . 6 1 1 A 28 28 ASP H H 28 6.927 7.651 -0.724 1
1 339 . 6 1 1 A 28 28 ASP HA H 28 4.512 3.823 0.689 1
1 342 . 6 1 1 A 28 28 ASP C C 28 178.402 179.068 -0.666 1
1 343 . 6 1 1 A 28 28 ASP CA C 28 56.586 56.910 -0.324 1
1 344 . 6 1 1 A 28 28 ASP CB C 28 41.317 40.125 1.192 1
1 345 . 6 1 1 A 28 28 ASP N N 28 121.516 121.299 0.217 1
1 346 . 6 1 1 A 29 29 LEU H H 29 8.309 7.712 0.597 1
1 347 . 6 1 1 A 29 29 LEU HA H 29 3.764 3.721 0.043 1
1 357 . 6 1 1 A 29 29 LEU C C 29 180.093 179.195 0.898 1
1 358 . 6 1 1 A 29 29 LEU CA C 29 57.091 57.759 -0.668 1
1 359 . 6 1 1 A 29 29 LEU CB C 29 41.418 40.605 0.813 1
1 363 . 6 1 1 A 29 29 LEU N N 29 118.648 119.760 -1.112 1
1 364 . 6 1 1 A 30 30 ALA H H 30 7.458 7.896 -0.438 1
1 365 . 6 1 1 A 30 30 ALA HA H 30 4.000 4.017 -0.017 1
1 369 . 6 1 1 A 30 30 ALA C C 30 179.371 178.789 0.582 1
1 370 . 6 1 1 A 30 30 ALA CA C 30 54.526 55.154 -0.628 1
1 371 . 6 1 1 A 30 30 ALA CB C 30 18.102 17.974 0.128 1
1 372 . 6 1 1 A 30 30 ALA N N 30 120.814 121.985 -1.171 1
1 373 . 6 1 1 A 31 31 ASP H H 31 7.682 7.774 -0.092 1
1 374 . 6 1 1 A 31 31 ASP HA H 31 4.410 4.540 -0.130 1
1 377 . 6 1 1 A 31 31 ASP C C 31 176.610 176.853 -0.243 1
1 378 . 6 1 1 A 31 31 ASP CA C 31 55.271 55.950 -0.679 1
1 379 . 6 1 1 A 31 31 ASP CB C 31 40.083 42.103 -2.020 1
1 380 . 6 1 1 A 31 31 ASP N N 31 117.191 118.109 -0.918 1
1 381 . 6 1 1 A 32 32 GLY H H 32 7.909 7.713 0.196 1
1 382 . 6 1 1 A 32 32 GLY HA2 H 32 4.090 4.209 -0.119 1
1 383 . 6 1 1 A 32 32 GLY HA3 H 32 3.597 4.294 -0.697 1
1 384 . 6 1 1 A 32 32 GLY C C 32 173.168 174.459 -1.291 1
1 385 . 6 1 1 A 32 32 GLY CA C 32 45.112 45.429 -0.317 1
1 386 . 6 1 1 A 32 32 GLY N N 32 106.983 106.210 0.773 1
1 387 . 6 1 1 A 33 33 PHE H H 33 7.233 8.051 -0.818 1
1 388 . 6 1 1 A 33 33 PHE HA H 33 4.212 4.290 -0.078 1
1 396 . 6 1 1 A 33 33 PHE C C 33 171.389 174.468 -3.079 1
1 397 . 6 1 1 A 33 33 PHE CA C 33 55.383 59.996 -4.613 1
1 398 . 6 1 1 A 33 33 PHE CB C 33 37.177 37.604 -0.427 1
1 404 . 6 1 1 A 33 33 PHE N N 33 115.364 115.656 -0.292 1
1 405 . 6 1 1 A 34 34 ILE H H 34 8.637 8.203 0.434 1
1 406 . 6 1 1 A 34 34 ILE HA H 34 3.817 3.970 -0.153 1
1 416 . 6 1 1 A 34 34 ILE C C 34 177.018 176.337 0.681 1
1 417 . 6 1 1 A 34 34 ILE CA C 34 60.724 62.669 -1.945 1
1 418 . 6 1 1 A 34 34 ILE CB C 34 39.266 37.315 1.951 1
1 422 . 6 1 1 A 34 34 ILE N N 34 114.086 122.433 -8.347 1
1 423 . 6 1 1 A 35 35 HIS H H 35 9.203 9.047 0.156 1
1 424 . 6 1 1 A 35 35 HIS HA H 35 4.448 4.725 -0.277 1
1 428 . 6 1 1 A 35 35 HIS C C 35 175.740 175.010 0.730 1
1 429 . 6 1 1 A 35 35 HIS CA C 35 57.757 55.785 1.972 1
1 430 . 6 1 1 A 35 35 HIS CB C 35 29.758 31.051 -1.293 1
1 432 . 6 1 1 A 35 35 HIS N N 35 127.988 126.275 1.713 1
1 433 . 6 1 1 A 36 36 LEU H H 36 8.454 8.605 -0.151 1
1 434 . 6 1 1 A 36 36 LEU HA H 36 5.190 4.999 0.191 1
1 444 . 6 1 1 A 36 36 LEU C C 36 174.813 176.056 -1.243 1
1 445 . 6 1 1 A 36 36 LEU CA C 36 56.019 53.359 2.660 1
1 446 . 6 1 1 A 36 36 LEU CB C 36 44.541 46.681 -2.140 1
1 450 . 6 1 1 A 36 36 LEU N N 36 126.075 123.106 2.969 1
1 451 . 6 1 1 A 37 37 SER H H 37 9.128 8.943 0.185 1
1 452 . 6 1 1 A 37 37 SER HA H 37 5.277 5.106 0.171 1
1 455 . 6 1 1 A 37 37 SER C C 37 174.433 173.814 0.619 1
1 456 . 6 1 1 A 37 37 SER CA C 37 57.990 57.785 0.205 1
1 457 . 6 1 1 A 37 37 SER CB C 37 66.778 66.842 -0.064 1
1 458 . 6 1 1 A 37 37 SER N N 37 112.795 116.068 -3.273 1
1 459 . 6 1 1 A 38 38 ALA H H 38 9.665 8.851 0.814 1
1 460 . 6 1 1 A 38 38 ALA HA H 38 4.973 4.817 0.156 1
1 464 . 6 1 1 A 38 38 ALA C C 38 179.640 178.349 1.291 1
1 465 . 6 1 1 A 38 38 ALA CA C 38 52.303 51.612 0.691 1
1 466 . 6 1 1 A 38 38 ALA CB C 38 19.350 19.691 -0.341 1
1 467 . 6 1 1 A 38 38 ALA N N 38 127.103 125.731 1.372 1
1 468 . 6 1 1 A 39 39 GLY H H 39 10.159 8.918 1.241 1
1 469 . 6 1 1 A 39 39 GLY HA2 H 39 4.249 3.718 0.531 1
1 470 . 6 1 1 A 39 39 GLY HA3 H 39 3.720 3.846 -0.126 1
1 471 . 6 1 1 A 39 39 GLY C C 39 176.229 175.634 0.595 1
1 472 . 6 1 1 A 39 39 GLY CA C 39 49.163 47.302 1.861 1
1 473 . 6 1 1 A 39 39 GLY N N 39 112.007 106.539 5.468 1
1 474 . 6 1 1 A 40 40 GLU H H 40 9.367 8.040 1.327 1
1 475 . 6 1 1 A 40 40 GLU HA H 40 4.234 4.003 0.231 1
1 480 . 6 1 1 A 40 40 GLU C C 40 176.417 179.903 -3.486 1
1 481 . 6 1 1 A 40 40 GLU CA C 40 58.622 59.472 -0.850 1
1 482 . 6 1 1 A 40 40 GLU CB C 40 28.796 29.325 -0.529 1
1 484 . 6 1 1 A 40 40 GLU N N 40 117.243 121.264 -4.021 1
1 485 . 6 1 1 A 41 41 GLN H H 41 7.503 8.108 -0.605 1
1 486 . 6 1 1 A 41 41 GLN HA H 41 4.752 4.103 0.649 1
1 493 . 6 1 1 A 41 41 GLN C C 41 177.730 178.031 -0.301 1
1 494 . 6 1 1 A 41 41 GLN CA C 41 55.626 58.423 -2.797 1
1 495 . 6 1 1 A 41 41 GLN CB C 41 30.653 28.945 1.708 1
1 498 . 6 1 1 A 41 41 GLN N N 41 115.837 120.581 -4.744 1
1 500 . 6 1 1 A 42 42 ALA H H 42 7.519 8.410 -0.891 1
1 501 . 6 1 1 A 42 42 ALA HA H 42 3.927 4.077 -0.150 1
1 505 . 6 1 1 A 42 42 ALA C C 42 177.826 179.349 -1.523 1
1 506 . 6 1 1 A 42 42 ALA CA C 42 56.706 55.369 1.337 1
1 507 . 6 1 1 A 42 42 ALA CB C 42 18.247 18.196 0.051 1
1 508 . 6 1 1 A 42 42 ALA N N 42 123.105 122.196 0.909 1
1 509 . 6 1 1 A 43 43 GLN H H 43 9.203 8.001 1.202 1
1 510 . 6 1 1 A 43 43 GLN HA H 43 3.942 4.002 -0.060 1
1 517 . 6 1 1 A 43 43 GLN C C 43 177.913 177.846 0.067 1
1 518 . 6 1 1 A 43 43 GLN CA C 43 58.678 59.267 -0.589 1
1 519 . 6 1 1 A 43 43 GLN CB C 43 28.815 28.467 0.348 1
1 522 . 6 1 1 A 43 43 GLN N N 43 118.650 117.723 0.927 1
1 524 . 6 1 1 A 44 44 GLU H H 44 8.611 8.184 0.427 1
1 525 . 6 1 1 A 44 44 GLU HA H 44 4.207 4.158 0.049 1
1 530 . 6 1 1 A 44 44 GLU C C 44 179.090 179.431 -0.341 1
1 531 . 6 1 1 A 44 44 GLU CA C 44 59.246 59.354 -0.108 1
1 532 . 6 1 1 A 44 44 GLU CB C 44 28.850 29.689 -0.839 1
1 534 . 6 1 1 A 44 44 GLU N N 44 122.042 119.950 2.092 1
1 535 . 6 1 1 A 45 45 THR H H 45 8.292 8.490 -0.198 1
1 536 . 6 1 1 A 45 45 THR HA H 45 4.123 4.226 -0.103 1
1 541 . 6 1 1 A 45 45 THR C C 45 176.228 176.648 -0.420 1
1 542 . 6 1 1 A 45 45 THR CA C 45 66.902 66.401 0.501 1
1 543 . 6 1 1 A 45 45 THR CB C 45 68.949 68.505 0.444 1
1 545 . 6 1 1 A 45 45 THR N N 45 117.583 116.015 1.568 1
1 546 . 6 1 1 A 46 46 ALA H H 46 8.275 8.674 -0.399 1
1 547 . 6 1 1 A 46 46 ALA HA H 46 4.255 4.343 -0.088 1
1 551 . 6 1 1 A 46 46 ALA C C 46 178.630 180.156 -1.526 1
1 552 . 6 1 1 A 46 46 ALA CA C 46 55.406 55.653 -0.247 1
1 553 . 6 1 1 A 46 46 ALA CB C 46 18.482 18.314 0.168 1
1 554 . 6 1 1 A 46 46 ALA N N 46 123.184 123.372 -0.188 1
1 555 . 6 1 1 A 47 47 ALA H H 47 8.066 8.392 -0.326 1
1 556 . 6 1 1 A 47 47 ALA HA H 47 3.953 4.094 -0.141 1
1 560 . 6 1 1 A 47 47 ALA C C 47 178.552 178.680 -0.128 1
1 561 . 6 1 1 A 47 47 ALA CA C 47 55.030 54.823 0.207 1
1 562 . 6 1 1 A 47 47 ALA CB C 47 18.899 18.385 0.514 1
1 563 . 6 1 1 A 47 47 ALA N N 47 117.129 120.139 -3.010 1
1 564 . 6 1 1 A 48 48 LYS H H 48 8.089 7.434 0.655 1
1 565 . 6 1 1 A 48 48 LYS HA H 48 3.936 4.294 -0.358 1
1 574 . 6 1 1 A 48 48 LYS C C 48 179.130 177.850 1.280 1
1 575 . 6 1 1 A 48 48 LYS CA C 48 58.560 57.430 1.130 1
1 576 . 6 1 1 A 48 48 LYS CB C 48 33.122 34.024 -0.902 1
1 580 . 6 1 1 A 48 48 LYS N N 48 115.322 114.631 0.691 1
1 581 . 6 1 1 A 49 49 TRP H H 49 7.978 8.205 -0.227 1
1 582 . 6 1 1 A 49 49 TRP HA H 49 4.807 4.601 0.206 1
1 591 . 6 1 1 A 49 49 TRP C C 49 176.923 176.742 0.181 1
1 592 . 6 1 1 A 49 49 TRP CA C 49 57.157 58.038 -0.881 1
1 593 . 6 1 1 A 49 49 TRP CB C 49 31.461 31.161 0.300 1
1 599 . 6 1 1 A 49 49 TRP N N 49 114.492 115.161 -0.669 1
1 601 . 6 1 1 A 50 50 PHE H H 50 7.740 8.137 -0.397 1
1 602 . 6 1 1 A 50 50 PHE HA H 50 4.925 5.466 -0.541 1
1 608 . 6 1 1 A 50 50 PHE C C 50 174.160 175.051 -0.891 1
1 609 . 6 1 1 A 50 50 PHE CA C 50 57.772 57.498 0.274 1
1 610 . 6 1 1 A 50 50 PHE CB C 50 39.610 39.443 0.167 1
1 614 . 6 1 1 A 50 50 PHE N N 50 116.540 116.173 0.367 1
1 615 . 6 1 1 A 51 51 ARG H H 51 7.389 7.683 -0.294 1
1 616 . 6 1 1 A 51 51 ARG HA H 51 4.198 3.941 0.257 1
1 624 . 6 1 1 A 51 51 ARG C C 51 179.130 177.360 1.770 1
1 625 . 6 1 1 A 51 51 ARG CA C 51 58.224 58.221 0.003 1
1 626 . 6 1 1 A 51 51 ARG CB C 51 30.032 29.874 0.158 1
1 629 . 6 1 1 A 51 51 ARG N N 51 119.136 122.398 -3.262 1
1 631 . 6 1 1 A 52 52 GLY H H 52 10.264 8.774 1.490 1
1 632 . 6 1 1 A 52 52 GLY HA2 H 52 4.180 3.928 0.252 1
1 633 . 6 1 1 A 52 52 GLY HA3 H 52 3.745 3.933 -0.188 1
1 634 . 6 1 1 A 52 52 GLY C C 52 173.980 174.081 -0.101 1
1 635 . 6 1 1 A 52 52 GLY CA C 52 45.517 46.535 -1.018 1
1 636 . 6 1 1 A 52 52 GLY N N 52 114.192 114.527 -0.335 1
1 637 . 6 1 1 A 53 53 GLN H H 53 7.597 7.787 -0.190 1
1 638 . 6 1 1 A 53 53 GLN HA H 53 4.437 4.947 -0.510 1
1 645 . 6 1 1 A 53 53 GLN C C 53 172.934 174.020 -1.086 1
1 646 . 6 1 1 A 53 53 GLN CA C 53 56.280 53.853 2.427 1
1 647 . 6 1 1 A 53 53 GLN CB C 53 29.123 32.788 -3.665 1
1 650 . 6 1 1 A 53 53 GLN N N 53 120.438 118.707 1.731 1
1 652 . 6 1 1 A 54 54 ALA H H 54 8.190 8.659 -0.469 1
1 653 . 6 1 1 A 54 54 ALA HA H 54 4.344 4.802 -0.458 1
1 657 . 6 1 1 A 54 54 ALA C C 54 177.278 176.588 0.690 1
1 658 . 6 1 1 A 54 54 ALA CA C 54 51.377 50.441 0.936 1
1 659 . 6 1 1 A 54 54 ALA CB C 54 20.525 22.375 -1.850 1
1 660 . 6 1 1 A 54 54 ALA N N 54 124.528 122.129 2.399 1
1 661 . 6 1 1 A 55 55 ASN H H 55 8.903 8.729 0.174 1
1 662 . 6 1 1 A 55 55 ASN HA H 55 4.598 4.271 0.327 1
1 667 . 6 1 1 A 55 55 ASN C C 55 174.075 174.520 -0.445 1
1 668 . 6 1 1 A 55 55 ASN CA C 55 53.986 54.225 -0.239 1
1 669 . 6 1 1 A 55 55 ASN CB C 55 37.654 37.202 0.452 1
1 671 . 6 1 1 A 55 55 ASN N N 55 113.776 114.130 -0.354 1
1 673 . 6 1 1 A 56 56 LEU H H 56 8.543 7.835 0.708 1
1 674 . 6 1 1 A 56 56 LEU HA H 56 4.677 4.522 0.155 1
1 684 . 6 1 1 A 56 56 LEU C C 56 176.806 176.232 0.574 1
1 685 . 6 1 1 A 56 56 LEU CA C 56 54.383 53.539 0.844 1
1 686 . 6 1 1 A 56 56 LEU CB C 56 45.328 42.233 3.095 1
1 690 . 6 1 1 A 56 56 LEU N N 56 117.411 119.330 -1.919 1
1 691 . 6 1 1 A 57 57 VAL H H 57 9.207 9.551 -0.344 1
1 692 . 6 1 1 A 57 57 VAL HA H 57 4.633 4.553 0.080 1
1 700 . 6 1 1 A 57 57 VAL C C 57 172.465 174.211 -1.746 1
1 701 . 6 1 1 A 57 57 VAL CA C 57 59.970 60.875 -0.905 1
1 702 . 6 1 1 A 57 57 VAL CB C 57 35.376 33.085 2.291 1
1 705 . 6 1 1 A 57 57 VAL N N 57 121.448 125.266 -3.818 1
1 706 . 6 1 1 A 58 58 LEU H H 58 8.855 9.099 -0.244 1
1 707 . 6 1 1 A 58 58 LEU HA H 58 4.763 4.500 0.263 1
1 717 . 6 1 1 A 58 58 LEU C C 58 175.349 174.679 0.670 1
1 718 . 6 1 1 A 58 58 LEU CA C 58 52.286 54.008 -1.722 1
1 719 . 6 1 1 A 58 58 LEU CB C 58 46.390 43.065 3.325 1
1 723 . 6 1 1 A 58 58 LEU N N 58 124.476 130.054 -5.578 1
1 724 . 6 1 1 A 59 59 LEU H H 59 9.265 8.679 0.586 1
1 725 . 6 1 1 A 59 59 LEU HA H 59 4.714 4.288 0.426 1
1 735 . 6 1 1 A 59 59 LEU C C 59 175.262 175.570 -0.308 1
1 736 . 6 1 1 A 59 59 LEU CA C 59 52.753 54.492 -1.739 1
1 737 . 6 1 1 A 59 59 LEU CB C 59 42.431 40.636 1.795 1
1 741 . 6 1 1 A 59 59 LEU N N 59 125.973 128.140 -2.167 1
1 742 . 6 1 1 A 60 60 ALA H H 60 8.331 8.843 -0.512 1
1 743 . 6 1 1 A 60 60 ALA HA H 60 4.739 4.649 0.090 1
1 747 . 6 1 1 A 60 60 ALA C C 60 175.631 175.743 -0.112 1
1 748 . 6 1 1 A 60 60 ALA CA C 60 50.320 50.449 -0.129 1
1 749 . 6 1 1 A 60 60 ALA CB C 60 21.744 20.046 1.698 1
1 750 . 6 1 1 A 60 60 ALA N N 60 124.617 128.350 -3.733 1
1 751 . 6 1 1 A 61 61 VAL H H 61 8.944 8.784 0.160 1
1 752 . 6 1 1 A 61 61 VAL HA H 61 4.244 5.129 -0.885 1
1 760 . 6 1 1 A 61 61 VAL C C 61 174.674 175.335 -0.661 1
1 761 . 6 1 1 A 61 61 VAL CA C 61 60.770 60.992 -0.222 1
1 762 . 6 1 1 A 61 61 VAL CB C 61 36.636 34.064 2.572 1
1 765 . 6 1 1 A 61 61 VAL N N 61 124.079 123.796 0.283 1
1 766 . 6 1 1 A 62 62 GLU H H 62 8.490 8.664 -0.174 1
1 767 . 6 1 1 A 62 62 GLU HA H 62 4.551 4.324 0.227 1
1 772 . 6 1 1 A 62 62 GLU C C 62 177.700 177.487 0.213 1
1 773 . 6 1 1 A 62 62 GLU CA C 62 56.879 56.895 -0.016 1
1 774 . 6 1 1 A 62 62 GLU CB C 62 29.372 29.890 -0.518 1
1 776 . 6 1 1 A 62 62 GLU N N 62 127.752 126.704 1.048 1
1 777 . 6 1 1 A 63 63 ALA H H 63 9.173 9.253 -0.080 1
1 778 . 6 1 1 A 63 63 ALA HA H 63 3.991 4.066 -0.075 1
1 782 . 6 1 1 A 63 63 ALA C C 63 180.311 179.723 0.588 1
1 783 . 6 1 1 A 63 63 ALA CA C 63 54.850 55.542 -0.692 1
1 784 . 6 1 1 A 63 63 ALA CB C 63 19.495 18.525 0.970 1
1 785 . 6 1 1 A 63 63 ALA N N 63 127.466 127.464 0.002 1
1 786 . 6 1 1 A 64 64 GLU H H 64 9.571 8.115 1.456 1
1 787 . 6 1 1 A 64 64 GLU HA H 64 4.146 4.110 0.036 1
1 792 . 6 1 1 A 64 64 GLU C C 64 177.102 175.063 2.039 1
1 793 . 6 1 1 A 64 64 GLU CA C 64 63.532 61.377 2.155 1
1 794 . 6 1 1 A 64 64 GLU CB C 64 25.742 28.304 -2.562 1
1 796 . 6 1 1 A 64 64 GLU N N 64 120.368 118.619 1.749 1
1 797 . 6 1 1 A 65 65 PRO HA H 65 4.440 4.400 0.040 1
1 804 . 6 1 1 A 65 65 PRO C C 65 177.332 178.922 -1.590 1
1 805 . 6 1 1 A 65 65 PRO CA C 65 64.973 65.056 -0.083 1
1 806 . 6 1 1 A 65 65 PRO CB C 65 31.341 31.430 -0.089 1
1 809 . 6 1 1 A 66 66 LEU H H 66 7.412 7.696 -0.284 1
1 810 . 6 1 1 A 66 66 LEU HA H 66 4.023 4.066 -0.043 1
1 820 . 6 1 1 A 66 66 LEU C C 66 178.533 176.784 1.749 1
1 821 . 6 1 1 A 66 66 LEU CA C 66 55.861 57.249 -1.388 1
1 822 . 6 1 1 A 66 66 LEU CB C 66 41.349 42.747 -1.398 1
1 826 . 6 1 1 A 66 66 LEU N N 66 114.991 117.568 -2.577 1
1 827 . 6 1 1 A 67 67 GLY H H 67 7.733 7.447 0.286 1
1 828 . 6 1 1 A 67 67 GLY HA2 H 67 4.018 4.173 -0.155 1
1 829 . 6 1 1 A 67 67 GLY HA3 H 67 3.909 4.174 -0.265 1
1 830 . 6 1 1 A 67 67 GLY C C 67 175.925 174.283 1.642 1
1 831 . 6 1 1 A 67 67 GLY CA C 67 46.054 45.279 0.775 1
1 832 . 6 1 1 A 67 67 GLY N N 67 104.242 105.754 -1.512 1
1 833 . 6 1 1 A 68 68 GLU H H 68 8.887 8.785 0.102 1
1 834 . 6 1 1 A 68 68 GLU HA H 68 4.219 4.364 -0.145 1
1 839 . 6 1 1 A 68 68 GLU C C 68 176.314 177.620 -1.306 1
1 840 . 6 1 1 A 68 68 GLU CA C 68 57.652 57.474 0.178 1
1 841 . 6 1 1 A 68 68 GLU CB C 68 29.306 30.477 -1.171 1
1 843 . 6 1 1 A 68 68 GLU N N 68 121.253 125.427 -4.174 1
1 844 . 6 1 1 A 69 69 ASP H H 69 7.630 8.022 -0.392 1
1 845 . 6 1 1 A 69 69 ASP HA H 69 4.587 4.754 -0.167 1
1 848 . 6 1 1 A 69 69 ASP C C 69 174.665 175.088 -0.423 1
1 849 . 6 1 1 A 69 69 ASP CA C 69 56.078 54.067 2.011 1
1 850 . 6 1 1 A 69 69 ASP CB C 69 41.572 41.085 0.487 1
1 851 . 6 1 1 A 69 69 ASP N N 69 116.486 118.034 -1.548 1
1 852 . 6 1 1 A 70 70 LEU H H 70 7.433 7.531 -0.098 1
1 853 . 6 1 1 A 70 70 LEU HA H 70 4.854 5.232 -0.378 1
1 863 . 6 1 1 A 70 70 LEU C C 70 174.259 175.146 -0.887 1
1 864 . 6 1 1 A 70 70 LEU CA C 70 53.281 53.520 -0.239 1
1 865 . 6 1 1 A 70 70 LEU CB C 70 43.024 45.682 -2.658 1
1 869 . 6 1 1 A 70 70 LEU N N 70 121.585 122.119 -0.534 1
1 870 . 6 1 1 A 71 71 LYS H H 71 9.114 8.374 0.740 1
1 871 . 6 1 1 A 71 71 LYS HA H 71 4.724 4.717 0.007 1
1 880 . 6 1 1 A 71 71 LYS C C 71 175.146 174.497 0.649 1
1 881 . 6 1 1 A 71 71 LYS CA C 71 54.024 55.211 -1.187 1
1 882 . 6 1 1 A 71 71 LYS CB C 71 35.469 36.434 -0.965 1
1 886 . 6 1 1 A 71 71 LYS N N 71 126.179 124.939 1.240 1
1 887 . 6 1 1 A 72 72 TRP H H 72 8.981 8.995 -0.014 1
1 888 . 6 1 1 A 72 72 TRP HA H 72 4.720 4.821 -0.101 1
1 897 . 6 1 1 A 72 72 TRP C C 72 176.394 175.592 0.802 1
1 898 . 6 1 1 A 72 72 TRP CA C 72 55.876 56.690 -0.814 1
1 899 . 6 1 1 A 72 72 TRP CB C 72 27.789 28.080 -0.291 1
1 905 . 6 1 1 A 72 72 TRP N N 72 125.904 128.129 -2.225 1
1 907 . 6 1 1 A 73 73 GLU H H 73 8.558 8.619 -0.061 1
1 908 . 6 1 1 A 73 73 GLU HA H 73 4.762 4.680 0.082 1
1 913 . 6 1 1 A 73 73 GLU C C 73 175.459 175.709 -0.250 1
1 914 . 6 1 1 A 73 73 GLU CA C 73 55.208 55.383 -0.175 1
1 915 . 6 1 1 A 73 73 GLU CB C 73 32.615 30.443 2.172 1
1 917 . 6 1 1 A 73 73 GLU N N 73 123.290 125.729 -2.439 1
1 918 . 6 1 1 A 74 74 ALA H H 74 8.962 8.767 0.195 1
1 919 . 6 1 1 A 74 74 ALA HA H 74 4.738 4.648 0.090 1
1 923 . 6 1 1 A 74 74 ALA C C 74 177.803 177.649 0.154 1
1 924 . 6 1 1 A 74 74 ALA CA C 74 52.246 51.753 0.493 1
1 925 . 6 1 1 A 74 74 ALA CB C 74 20.070 17.357 2.713 1
1 926 . 6 1 1 A 74 74 ALA N N 74 127.315 130.211 -2.896 1
1 927 . 6 1 1 A 75 75 SER H H 75 8.762 8.290 0.472 1
1 928 . 6 1 1 A 75 75 SER HA H 75 4.850 4.593 0.257 1
1 931 . 6 1 1 A 75 75 SER C C 75 176.080 174.359 1.721 1
1 932 . 6 1 1 A 75 75 SER CA C 75 56.954 57.715 -0.761 1
1 933 . 6 1 1 A 75 75 SER CB C 75 65.244 62.467 2.777 1
1 934 . 6 1 1 A 75 75 SER N N 75 117.745 113.289 4.456 1
1 935 . 6 1 1 A 76 76 ARG HA H 76 4.193 4.282 -0.089 1
1 943 . 6 1 1 A 76 76 ARG CA C 76 58.895 58.157 0.738 1
1 944 . 6 1 1 A 76 76 ARG CB C 76 29.877 29.119 0.758 1
1 947 . 6 1 1 A 77 77 GLY C C 77 175.277 173.937 1.340 1
1 948 . 6 1 1 A 78 78 GLY H H 78 8.045 8.041 0.004 1
1 949 . 6 1 1 A 78 78 GLY HA2 H 78 4.390 4.149 0.241 1
1 950 . 6 1 1 A 78 78 GLY HA3 H 78 3.786 4.153 -0.367 1
1 951 . 6 1 1 A 78 78 GLY C C 78 173.503 173.524 -0.021 1
1 952 . 6 1 1 A 78 78 GLY CA C 78 45.296 45.423 -0.127 1
1 953 . 6 1 1 A 78 78 GLY N N 78 110.323 104.564 5.759 1
1 954 . 6 1 1 A 79 79 ALA H H 79 7.879 8.663 -0.784 1
1 955 . 6 1 1 A 79 79 ALA HA H 79 4.357 4.013 0.344 1
1 959 . 6 1 1 A 79 79 ALA C C 79 176.674 175.885 0.789 1
1 960 . 6 1 1 A 79 79 ALA CA C 79 52.151 54.468 -2.317 1
1 961 . 6 1 1 A 79 79 ALA CB C 79 20.171 17.723 2.448 1
1 962 . 6 1 1 A 79 79 ALA N N 79 123.865 122.789 1.076 1
1 963 . 6 1 1 A 80 80 ARG H H 80 8.375 8.725 -0.350 1
1 964 . 6 1 1 A 80 80 ARG HA H 80 4.629 4.867 -0.238 1
1 972 . 6 1 1 A 80 80 ARG C C 80 175.713 175.092 0.621 1
1 973 . 6 1 1 A 80 80 ARG CA C 80 55.622 55.126 0.496 1
1 974 . 6 1 1 A 80 80 ARG CB C 80 32.074 32.379 -0.305 1
1 977 . 6 1 1 A 80 80 ARG N N 80 119.145 119.746 -0.601 1
1 979 . 6 1 1 A 81 81 PHE H H 81 8.722 9.027 -0.305 1
1 980 . 6 1 1 A 81 81 PHE HA H 81 5.156 4.926 0.230 1
1 988 . 6 1 1 A 81 81 PHE C C 81 172.806 174.232 -1.426 1
1 989 . 6 1 1 A 81 81 PHE CA C 81 54.950 55.515 -0.565 1
1 990 . 6 1 1 A 81 81 PHE CB C 81 42.240 39.699 2.541 1
1 996 . 6 1 1 A 81 81 PHE N N 81 123.774 122.915 0.859 1
1 997 . 6 1 1 A 82 82 PRO HA H 82 3.635 4.189 -0.554 1
1 1004 . 6 1 1 A 82 82 PRO C C 82 174.511 176.189 -1.678 1
1 1005 . 6 1 1 A 82 82 PRO CA C 82 61.347 63.073 -1.726 1
1 1006 . 6 1 1 A 82 82 PRO CB C 82 29.495 31.363 -1.868 1
1 1009 . 6 1 1 A 83 83 HIS H H 83 8.831 8.933 -0.102 1
1 1010 . 6 1 1 A 83 83 HIS HA H 83 5.330 4.978 0.352 1
1 1014 . 6 1 1 A 83 83 HIS C C 83 172.952 174.007 -1.055 1
1 1015 . 6 1 1 A 83 83 HIS CA C 83 50.700 55.482 -4.782 1
1 1016 . 6 1 1 A 83 83 HIS CB C 83 33.238 31.256 1.982 1
1 1018 . 6 1 1 A 83 83 HIS N N 83 124.483 122.876 1.607 1
1 1019 . 6 1 1 A 84 84 LEU H H 84 9.063 8.951 0.112 1
1 1020 . 6 1 1 A 84 84 LEU HA H 84 5.163 5.134 0.029 1
1 1030 . 6 1 1 A 84 84 LEU C C 84 176.699 176.530 0.169 1
1 1031 . 6 1 1 A 84 84 LEU CA C 84 53.829 53.181 0.648 1
1 1032 . 6 1 1 A 84 84 LEU CB C 84 45.366 44.317 1.049 1
1 1036 . 6 1 1 A 84 84 LEU N N 84 125.218 125.493 -0.275 1
1 1037 . 6 1 1 A 85 85 TYR H H 85 9.058 8.958 0.100 1
1 1038 . 6 1 1 A 85 85 TYR HA H 85 4.508 3.865 0.643 1
1 1045 . 6 1 1 A 85 85 TYR C C 85 173.624 174.678 -1.054 1
1 1046 . 6 1 1 A 85 85 TYR CA C 85 60.034 57.512 2.522 1
1 1047 . 6 1 1 A 85 85 TYR CB C 85 36.073 37.440 -1.367 1
1 1052 . 6 1 1 A 85 85 TYR N N 85 131.339 126.770 4.569 1
1 1053 . 6 1 1 A 86 86 ARG H H 86 7.432 7.542 -0.110 1
1 1054 . 6 1 1 A 86 86 ARG HA H 86 4.682 4.870 -0.188 1
1 1062 . 6 1 1 A 86 86 ARG C C 86 171.917 173.585 -1.668 1
1 1063 . 6 1 1 A 86 86 ARG CA C 86 54.953 54.339 0.614 1
1 1064 . 6 1 1 A 86 86 ARG CB C 86 28.209 32.661 -4.452 1
1 1067 . 6 1 1 A 86 86 ARG N N 86 114.399 117.081 -2.682 1
1 1069 . 6 1 1 A 87 87 PRO HA H 87 4.303 4.441 -0.138 1
1 1076 . 6 1 1 A 87 87 PRO C C 87 175.771 176.554 -0.783 1
1 1077 . 6 1 1 A 87 87 PRO CA C 87 63.497 63.245 0.252 1
1 1078 . 6 1 1 A 87 87 PRO CB C 87 32.253 31.573 0.680 1
1 1081 . 6 1 1 A 88 88 LEU H H 88 8.095 8.363 -0.268 1
1 1082 . 6 1 1 A 88 88 LEU HA H 88 4.286 4.572 -0.286 1
1 1092 . 6 1 1 A 88 88 LEU C C 88 175.946 175.925 0.021 1
1 1093 . 6 1 1 A 88 88 LEU CA C 88 53.675 54.956 -1.281 1
1 1094 . 6 1 1 A 88 88 LEU CB C 88 45.548 42.835 2.713 1
1 1098 . 6 1 1 A 88 88 LEU N N 88 125.942 123.505 2.437 1
1 1099 . 6 1 1 A 89 89 LEU H H 89 9.224 8.508 0.716 1
1 1100 . 6 1 1 A 89 89 LEU HA H 89 4.561 4.278 0.283 1
1 1110 . 6 1 1 A 89 89 LEU C C 89 179.295 177.939 1.356 1
1 1111 . 6 1 1 A 89 89 LEU CA C 89 55.212 55.806 -0.594 1
1 1112 . 6 1 1 A 89 89 LEU CB C 89 41.460 41.835 -0.375 1
1 1116 . 6 1 1 A 89 89 LEU N N 89 128.295 128.188 0.107 1
1 1117 . 6 1 1 A 90 90 VAL H H 90 7.665 8.817 -1.152 1
1 1118 . 6 1 1 A 90 90 VAL HA H 90 3.785 3.836 -0.051 1
1 1126 . 6 1 1 A 90 90 VAL C C 90 178.510 177.267 1.243 1
1 1127 . 6 1 1 A 90 90 VAL CA C 90 66.833 66.372 0.461 1
1 1128 . 6 1 1 A 90 90 VAL CB C 90 31.330 31.649 -0.319 1
1 1131 . 6 1 1 A 90 90 VAL N N 90 122.696 122.192 0.504 1
1 1132 . 6 1 1 A 91 91 SER H H 91 8.134 8.332 -0.198 1
1 1133 . 6 1 1 A 91 91 SER HA H 91 4.280 4.234 0.046 1
1 1136 . 6 1 1 A 91 91 SER C C 91 175.328 176.576 -1.248 1
1 1137 . 6 1 1 A 91 91 SER CA C 91 59.822 61.316 -1.494 1
1 1138 . 6 1 1 A 91 91 SER CB C 91 62.512 62.663 -0.151 1
1 1139 . 6 1 1 A 91 91 SER N N 91 112.443 114.626 -2.183 1
1 1140 . 6 1 1 A 92 92 GLU H H 92 7.598 8.067 -0.469 1
1 1141 . 6 1 1 A 92 92 GLU HA H 92 4.221 4.168 0.053 1
1 1146 . 6 1 1 A 92 92 GLU C C 92 175.722 177.005 -1.283 1
1 1147 . 6 1 1 A 92 92 GLU CA C 92 56.594 58.653 -2.059 1
1 1148 . 6 1 1 A 92 92 GLU CB C 92 29.511 29.634 -0.123 1
1 1150 . 6 1 1 A 92 92 GLU N N 92 120.359 121.194 -0.835 1
1 1151 . 6 1 1 A 93 93 VAL H H 93 7.486 7.362 0.124 1
1 1152 . 6 1 1 A 93 93 VAL HA H 93 4.046 4.055 -0.009 1
1 1160 . 6 1 1 A 93 93 VAL C C 93 176.093 177.596 -1.503 1
1 1161 . 6 1 1 A 93 93 VAL CA C 93 63.242 63.484 -0.242 1
1 1162 . 6 1 1 A 93 93 VAL CB C 93 32.306 31.681 0.625 1
1 1165 . 6 1 1 A 93 93 VAL N N 93 121.222 120.447 0.775 1
1 1166 . 6 1 1 A 94 94 THR H H 94 9.003 8.595 0.408 1
1 1167 . 6 1 1 A 94 94 THR HA H 94 4.264 4.238 0.026 1
1 1172 . 6 1 1 A 94 94 THR C C 94 174.664 174.467 0.197 1
1 1173 . 6 1 1 A 94 94 THR CA C 94 64.438 64.225 0.213 1
1 1174 . 6 1 1 A 94 94 THR CB C 94 69.317 68.998 0.319 1
1 1176 . 6 1 1 A 94 94 THR N N 94 124.794 119.660 5.134 1
1 1177 . 6 1 1 A 95 95 ARG H H 95 7.514 7.298 0.216 1
1 1178 . 6 1 1 A 95 95 ARG HA H 95 4.646 4.831 -0.185 1
1 1186 . 6 1 1 A 95 95 ARG C C 95 172.989 174.124 -1.135 1
1 1187 . 6 1 1 A 95 95 ARG CA C 95 55.872 55.186 0.686 1
1 1188 . 6 1 1 A 95 95 ARG CB C 95 33.789 33.868 -0.079 1
1 1191 . 6 1 1 A 95 95 ARG N N 95 118.660 120.481 -1.821 1
1 1193 . 6 1 1 A 96 96 GLU H H 96 8.545 8.944 -0.399 1
1 1194 . 6 1 1 A 96 96 GLU HA H 96 5.329 5.017 0.312 1
1 1199 . 6 1 1 A 96 96 GLU C C 96 174.480 174.705 -0.225 1
1 1200 . 6 1 1 A 96 96 GLU CA C 96 53.415 54.380 -0.965 1
1 1201 . 6 1 1 A 96 96 GLU CB C 96 33.592 33.133 0.459 1
1 1203 . 6 1 1 A 96 96 GLU N N 96 121.828 122.613 -0.785 1
1 1204 . 6 1 1 A 97 97 ALA H H 97 8.276 7.977 0.299 1
1 1205 . 6 1 1 A 97 97 ALA HA H 97 4.537 5.087 -0.550 1
1 1209 . 6 1 1 A 97 97 ALA C C 97 175.233 175.335 -0.102 1
1 1210 . 6 1 1 A 97 97 ALA CA C 97 51.368 50.912 0.456 1
1 1211 . 6 1 1 A 97 97 ALA CB C 97 22.101 21.932 0.169 1
1 1212 . 6 1 1 A 97 97 ALA N N 97 123.211 121.967 1.244 1
1 1213 . 6 1 1 A 98 98 ASP H H 98 8.399 8.913 -0.514 1
1 1214 . 6 1 1 A 98 98 ASP HA H 98 4.850 5.007 -0.157 1
1 1217 . 6 1 1 A 98 98 ASP C C 98 176.085 175.837 0.248 1
1 1218 . 6 1 1 A 98 98 ASP CA C 98 54.824 54.224 0.600 1
1 1219 . 6 1 1 A 98 98 ASP CB C 98 41.694 41.566 0.128 1
1 1220 . 6 1 1 A 98 98 ASP N N 98 122.093 124.344 -2.251 1
1 1221 . 6 1 1 A 99 99 LEU H H 99 7.854 8.895 -1.041 1
1 1222 . 6 1 1 A 99 99 LEU HA H 99 4.766 4.499 0.267 1
1 1232 . 6 1 1 A 99 99 LEU C C 99 176.250 174.679 1.571 1
1 1233 . 6 1 1 A 99 99 LEU CA C 99 53.544 54.050 -0.506 1
1 1234 . 6 1 1 A 99 99 LEU CB C 99 44.229 41.481 2.748 1
1 1238 . 6 1 1 A 99 99 LEU N N 99 120.272 125.595 -5.323 1
1 1239 . 6 1 1 A 100 100 ASP H H 100 9.215 9.050 0.165 1
1 1240 . 6 1 1 A 100 100 ASP HA H 100 4.935 4.836 0.099 1
1 1243 . 6 1 1 A 100 100 ASP C C 100 174.956 174.944 0.012 1
1 1244 . 6 1 1 A 100 100 ASP CA C 100 52.684 53.266 -0.582 1
1 1245 . 6 1 1 A 100 100 ASP CB C 100 43.362 40.537 2.825 1
1 1246 . 6 1 1 A 100 100 ASP N N 100 123.325 126.161 -2.836 1
1 1247 . 6 1 1 A 101 101 LEU H H 101 8.526 8.752 -0.226 1
1 1248 . 6 1 1 A 101 101 LEU HA H 101 4.639 4.832 -0.193 1
1 1258 . 6 1 1 A 101 101 LEU C C 101 178.204 175.842 2.362 1
1 1259 . 6 1 1 A 101 101 LEU CA C 101 53.490 53.933 -0.443 1
1 1260 . 6 1 1 A 101 101 LEU CB C 101 44.374 43.397 0.977 1
1 1264 . 6 1 1 A 101 101 LEU N N 101 118.539 126.850 -8.311 1
1 1265 . 6 1 1 A 102 102 ASP H H 102 8.029 8.638 -0.609 1
1 1266 . 6 1 1 A 102 102 ASP HA H 102 4.615 4.918 -0.303 1
1 1269 . 6 1 1 A 102 102 ASP C C 102 178.176 175.409 2.767 1
1 1270 . 6 1 1 A 102 102 ASP CA C 102 52.297 52.739 -0.442 1
1 1271 . 6 1 1 A 102 102 ASP CB C 102 41.108 44.545 -3.437 1
1 1272 . 6 1 1 A 102 102 ASP N N 102 121.008 121.684 -0.676 1
1 1273 . 6 1 1 A 103 103 ALA H H 103 8.384 8.743 -0.359 1
1 1274 . 6 1 1 A 103 103 ALA HA H 103 4.099 3.874 0.225 1
1 1278 . 6 1 1 A 103 103 ALA C C 103 178.527 177.471 1.056 1
1 1279 . 6 1 1 A 103 103 ALA CA C 103 54.648 54.807 -0.159 1
1 1280 . 6 1 1 A 103 103 ALA CB C 103 18.604 18.099 0.505 1
1 1281 . 6 1 1 A 103 103 ALA N N 103 120.139 123.931 -3.792 1
1 1282 . 6 1 1 A 104 104 ASP H H 104 8.033 7.959 0.074 1
1 1283 . 6 1 1 A 104 104 ASP HA H 104 4.811 4.696 0.115 1
1 1286 . 6 1 1 A 104 104 ASP C C 104 176.113 176.467 -0.354 1
1 1287 . 6 1 1 A 104 104 ASP CA C 104 54.077 53.980 0.097 1
1 1288 . 6 1 1 A 104 104 ASP CB C 104 41.899 41.602 0.297 1
1 1289 . 6 1 1 A 104 104 ASP N N 104 116.590 118.821 -2.231 1
1 1290 . 6 1 1 A 105 105 GLY H H 105 8.196 8.425 -0.229 1
1 1291 . 6 1 1 A 105 105 GLY HA2 H 105 4.293 3.959 0.334 1
1 1292 . 6 1 1 A 105 105 GLY HA3 H 105 3.657 3.962 -0.305 1
1 1293 . 6 1 1 A 105 105 GLY C C 105 173.635 174.104 -0.469 1
1 1294 . 6 1 1 A 105 105 GLY CA C 105 45.741 46.644 -0.903 1
1 1295 . 6 1 1 A 105 105 GLY N N 105 107.882 107.715 0.167 1
1 1296 . 6 1 1 A 106 106 VAL H H 106 8.886 8.129 0.757 1
1 1297 . 6 1 1 A 106 106 VAL HA H 106 4.082 4.370 -0.288 1
1 1305 . 6 1 1 A 106 106 VAL C C 106 175.529 176.846 -1.317 1
1 1306 . 6 1 1 A 106 106 VAL CA C 106 61.360 63.454 -2.094 1
1 1307 . 6 1 1 A 106 106 VAL CB C 106 32.373 34.087 -1.714 1
1 1310 . 6 1 1 A 106 106 VAL N N 106 125.585 117.325 8.260 1
1 1311 . 6 1 1 A 107 107 PRO HA H 107 4.737 4.246 0.491 1
1 1318 . 6 1 1 A 107 107 PRO C C 107 176.029 178.302 -2.273 1
1 1319 . 6 1 1 A 107 107 PRO CA C 107 62.674 66.417 -3.743 1
1 1320 . 6 1 1 A 107 107 PRO CB C 107 31.789 31.067 0.722 1
1 1323 . 6 1 1 A 108 108 GLN H H 108 8.563 8.884 -0.321 1
1 1324 . 6 1 1 A 108 108 GLN HA H 108 4.498 4.184 0.314 1
1 1331 . 6 1 1 A 108 108 GLN C C 108 176.218 175.575 0.643 1
1 1332 . 6 1 1 A 108 108 GLN CA C 108 54.901 56.102 -1.201 1
1 1333 . 6 1 1 A 108 108 GLN CB C 108 29.514 27.767 1.747 1
1 1336 . 6 1 1 A 108 108 GLN N N 108 122.641 115.538 7.103 1
1 1338 . 6 1 1 A 109 109 LEU H H 109 8.853 8.778 0.075 1
1 1339 . 6 1 1 A 109 109 LEU HA H 109 4.330 4.482 -0.152 1
1 1349 . 6 1 1 A 109 109 LEU C C 109 178.151 178.867 -0.716 1
1 1350 . 6 1 1 A 109 109 LEU CA C 109 56.522 56.335 0.187 1
1 1351 . 6 1 1 A 109 109 LEU CB C 109 41.883 42.551 -0.668 1
1 1355 . 6 1 1 A 109 109 LEU N N 109 125.974 121.777 4.197 1
1 1356 . 6 1 1 A 110 110 GLY H H 110 8.809 8.603 0.206 1
1 1357 . 6 1 1 A 110 110 GLY HA2 H 110 3.952 3.718 0.234 1
1 1358 . 6 1 1 A 110 110 GLY HA3 H 110 3.551 3.727 -0.176 1
1 1359 . 6 1 1 A 110 110 GLY C C 110 176.002 175.459 0.543 1
1 1360 . 6 1 1 A 110 110 GLY CA C 110 48.748 47.415 1.333 1
1 1361 . 6 1 1 A 110 110 GLY N N 110 109.442 106.840 2.602 1
1 1362 . 6 1 1 A 111 111 ASP H H 111 8.674 8.292 0.382 1
1 1363 . 6 1 1 A 111 111 ASP HA H 111 4.317 4.312 0.005 1
1 1366 . 6 1 1 A 111 111 ASP C C 111 177.159 177.911 -0.752 1
1 1367 . 6 1 1 A 111 111 ASP CA C 111 56.239 56.348 -0.109 1
1 1368 . 6 1 1 A 111 111 ASP CB C 111 39.791 39.525 0.266 1
1 1369 . 6 1 1 A 111 111 ASP N N 111 119.503 122.221 -2.718 1
1 1370 . 6 1 1 A 112 112 HIS H H 112 7.471 7.694 -0.223 1
1 1371 . 6 1 1 A 112 112 HIS HA H 112 4.481 4.403 0.078 1
1 1376 . 6 1 1 A 112 112 HIS C C 112 177.121 177.485 -0.364 1
1 1377 . 6 1 1 A 112 112 HIS CA C 112 56.692 59.400 -2.708 1
1 1378 . 6 1 1 A 112 112 HIS CB C 112 31.648 30.171 1.477 1
1 1381 . 6 1 1 A 112 112 HIS N N 112 116.681 117.121 -0.440 1
1 1382 . 6 1 1 A 113 113 LEU H H 113 7.526 7.725 -0.199 1
1 1383 . 6 1 1 A 113 113 LEU HA H 113 4.148 3.995 0.153 1
1 1393 . 6 1 1 A 113 113 LEU C C 113 177.363 177.096 0.267 1
1 1394 . 6 1 1 A 113 113 LEU CA C 113 55.509 57.869 -2.360 1
1 1395 . 6 1 1 A 113 113 LEU CB C 113 42.009 42.012 -0.003 1
1 1399 . 6 1 1 A 113 113 LEU N N 113 118.976 120.563 -1.587 1
1 1400 . 6 1 1 A 114 114 ALA H H 114 7.648 7.826 -0.178 1
1 1401 . 6 1 1 A 114 114 ALA HA H 114 4.227 4.421 -0.194 1
1 1405 . 6 1 1 A 114 114 ALA C C 114 177.692 177.995 -0.303 1
1 1406 . 6 1 1 A 114 114 ALA CA C 114 52.828 52.771 0.057 1
1 1407 . 6 1 1 A 114 114 ALA CB C 114 18.497 19.739 -1.242 1
1 1408 . 6 1 1 A 114 114 ALA N N 114 121.893 116.343 5.550 1
1 1409 . 6 1 1 A 115 115 LEU H H 115 7.764 8.061 -0.297 1
1 1410 . 6 1 1 A 115 115 LEU HA H 115 4.146 3.886 0.260 1
1 1420 . 6 1 1 A 115 115 LEU C C 115 177.819 176.211 1.608 1
1 1421 . 6 1 1 A 115 115 LEU CA C 115 55.771 56.228 -0.457 1
1 1422 . 6 1 1 A 115 115 LEU CB C 115 42.000 39.670 2.330 1
1 1426 . 6 1 1 A 115 115 LEU N N 115 119.576 115.569 4.007 1
1 12 . 7 1 1 A 2 2 THR HA H 2 3.833 5.234 -1.401 1
1 17 . 7 1 1 A 2 2 THR C C 2 170.665 172.817 -2.152 1
1 18 . 7 1 1 A 2 2 THR CA C 2 62.154 59.949 2.205 1
1 19 . 7 1 1 A 2 2 THR CB C 2 69.580 71.558 -1.978 1
1 21 . 7 1 1 A 3 3 LEU H H 3 9.068 9.107 -0.039 1
1 22 . 7 1 1 A 3 3 LEU HA H 3 4.887 5.171 -0.284 1
1 32 . 7 1 1 A 3 3 LEU C C 3 175.859 176.231 -0.372 1
1 33 . 7 1 1 A 3 3 LEU CA C 3 54.426 53.271 1.155 1
1 34 . 7 1 1 A 3 3 LEU CB C 3 43.222 45.514 -2.292 1
1 38 . 7 1 1 A 3 3 LEU N N 3 129.030 124.634 4.396 1
1 39 . 7 1 1 A 4 4 ILE H H 4 8.897 8.710 0.187 1
1 40 . 7 1 1 A 4 4 ILE HA H 4 4.753 4.943 -0.190 1
1 50 . 7 1 1 A 4 4 ILE C C 4 174.211 174.286 -0.075 1
1 51 . 7 1 1 A 4 4 ILE CA C 4 59.998 59.529 0.469 1
1 52 . 7 1 1 A 4 4 ILE CB C 4 41.129 39.234 1.895 1
1 56 . 7 1 1 A 4 4 ILE N N 4 115.702 122.168 -6.466 1
1 57 . 7 1 1 A 5 5 TYR H H 5 9.050 9.101 -0.051 1
1 58 . 7 1 1 A 5 5 TYR HA H 5 5.770 5.139 0.631 1
1 65 . 7 1 1 A 5 5 TYR C C 5 175.987 174.305 1.682 1
1 66 . 7 1 1 A 5 5 TYR CA C 5 57.923 56.264 1.659 1
1 67 . 7 1 1 A 5 5 TYR CB C 5 42.963 40.014 2.949 1
1 72 . 7 1 1 A 5 5 TYR N N 5 114.414 122.593 -8.179 1
1 73 . 7 1 1 A 6 6 LYS H H 6 8.858 8.572 0.286 1
1 74 . 7 1 1 A 6 6 LYS HA H 6 4.813 4.726 0.087 1
1 83 . 7 1 1 A 6 6 LYS C C 6 172.801 174.683 -1.882 1
1 84 . 7 1 1 A 6 6 LYS CA C 6 52.969 55.722 -2.753 1
1 85 . 7 1 1 A 6 6 LYS CB C 6 37.109 33.471 3.638 1
1 89 . 7 1 1 A 6 6 LYS N N 6 121.597 125.667 -4.070 1
1 90 . 7 1 1 A 7 7 ILE H H 7 8.277 8.419 -0.142 1
1 91 . 7 1 1 A 7 7 ILE HA H 7 4.702 4.680 0.022 1
1 101 . 7 1 1 A 7 7 ILE C C 7 173.742 174.641 -0.899 1
1 102 . 7 1 1 A 7 7 ILE CA C 7 60.340 60.368 -0.028 1
1 103 . 7 1 1 A 7 7 ILE CB C 7 38.941 38.138 0.803 1
1 107 . 7 1 1 A 7 7 ILE N N 7 128.212 128.727 -0.515 1
1 108 . 7 1 1 A 8 8 LEU H H 8 8.627 8.321 0.306 1
1 109 . 7 1 1 A 8 8 LEU HA H 8 4.757 4.880 -0.123 1
1 119 . 7 1 1 A 8 8 LEU C C 8 173.661 175.496 -1.835 1
1 120 . 7 1 1 A 8 8 LEU CA C 8 54.530 53.765 0.765 1
1 121 . 7 1 1 A 8 8 LEU CB C 8 43.617 44.435 -0.818 1
1 125 . 7 1 1 A 8 8 LEU N N 8 126.590 123.686 2.904 1
1 126 . 7 1 1 A 9 9 SER H H 9 8.546 8.893 -0.347 1
1 127 . 7 1 1 A 9 9 SER HA H 9 4.765 4.762 0.003 1
1 130 . 7 1 1 A 9 9 SER C C 9 175.160 175.583 -0.423 1
1 131 . 7 1 1 A 9 9 SER CA C 9 58.520 58.398 0.122 1
1 132 . 7 1 1 A 9 9 SER CB C 9 65.227 63.977 1.250 1
1 133 . 7 1 1 A 9 9 SER N N 9 115.543 117.014 -1.471 1
1 134 . 7 1 1 A 10 10 ARG H H 10 9.080 9.149 -0.069 1
1 135 . 7 1 1 A 10 10 ARG HA H 10 4.037 4.067 -0.030 1
1 143 . 7 1 1 A 10 10 ARG C C 10 177.847 177.917 -0.070 1
1 144 . 7 1 1 A 10 10 ARG CA C 10 59.210 59.882 -0.672 1
1 145 . 7 1 1 A 10 10 ARG CB C 10 28.776 29.791 -1.015 1
1 148 . 7 1 1 A 10 10 ARG N N 10 123.688 124.914 -1.226 1
1 150 . 7 1 1 A 11 11 ALA H H 11 8.753 8.138 0.615 1
1 151 . 7 1 1 A 11 11 ALA HA H 11 4.248 4.092 0.156 1
1 155 . 7 1 1 A 11 11 ALA C C 11 181.848 179.536 2.312 1
1 156 . 7 1 1 A 11 11 ALA CA C 11 55.483 54.462 1.021 1
1 157 . 7 1 1 A 11 11 ALA CB C 11 18.209 18.343 -0.134 1
1 158 . 7 1 1 A 11 11 ALA N N 11 119.698 120.917 -1.219 1
1 159 . 7 1 1 A 12 12 GLU H H 12 7.957 7.831 0.126 1
1 160 . 7 1 1 A 12 12 GLU HA H 12 4.183 4.255 -0.072 1
1 165 . 7 1 1 A 12 12 GLU C C 12 179.576 178.925 0.651 1
1 166 . 7 1 1 A 12 12 GLU CA C 12 59.103 59.395 -0.292 1
1 167 . 7 1 1 A 12 12 GLU CB C 12 31.077 29.924 1.153 1
1 169 . 7 1 1 A 12 12 GLU N N 12 118.210 118.299 -0.089 1
1 170 . 7 1 1 A 13 13 TRP H H 13 8.585 8.298 0.287 1
1 171 . 7 1 1 A 13 13 TRP HA H 13 4.937 4.232 0.705 1
1 180 . 7 1 1 A 13 13 TRP C C 13 176.827 177.901 -1.074 1
1 181 . 7 1 1 A 13 13 TRP CA C 13 57.845 61.155 -3.310 1
1 182 . 7 1 1 A 13 13 TRP CB C 13 31.010 29.962 1.048 1
1 188 . 7 1 1 A 13 13 TRP N N 13 123.646 122.317 1.329 1
1 190 . 7 1 1 A 14 14 ASP H H 14 9.260 8.678 0.582 1
1 191 . 7 1 1 A 14 14 ASP HA H 14 4.048 3.913 0.135 1
1 194 . 7 1 1 A 14 14 ASP C C 14 180.120 178.529 1.591 1
1 195 . 7 1 1 A 14 14 ASP CA C 14 57.767 57.099 0.668 1
1 196 . 7 1 1 A 14 14 ASP CB C 14 39.467 40.058 -0.591 1
1 197 . 7 1 1 A 14 14 ASP N N 14 120.253 118.704 1.549 1
1 198 . 7 1 1 A 15 15 ALA H H 15 7.599 8.113 -0.514 1
1 199 . 7 1 1 A 15 15 ALA HA H 15 4.163 4.136 0.027 1
1 203 . 7 1 1 A 15 15 ALA C C 15 180.115 179.747 0.368 1
1 204 . 7 1 1 A 15 15 ALA CA C 15 55.016 54.783 0.233 1
1 205 . 7 1 1 A 15 15 ALA CB C 15 17.871 18.386 -0.515 1
1 206 . 7 1 1 A 15 15 ALA N N 15 122.164 122.830 -0.666 1
1 207 . 7 1 1 A 16 16 ALA H H 16 7.944 7.629 0.315 1
1 208 . 7 1 1 A 16 16 ALA HA H 16 4.334 4.075 0.259 1
1 212 . 7 1 1 A 16 16 ALA C C 16 180.101 179.888 0.213 1
1 213 . 7 1 1 A 16 16 ALA CA C 16 54.659 54.973 -0.314 1
1 214 . 7 1 1 A 16 16 ALA CB C 16 19.107 18.682 0.425 1
1 215 . 7 1 1 A 16 16 ALA N N 16 122.526 120.823 1.703 1
1 216 . 7 1 1 A 17 17 LYS H H 17 8.317 8.231 0.086 1
1 217 . 7 1 1 A 17 17 LYS HA H 17 3.462 3.614 -0.152 1
1 226 . 7 1 1 A 17 17 LYS C C 17 179.126 178.354 0.772 1
1 227 . 7 1 1 A 17 17 LYS CA C 17 60.077 58.865 1.212 1
1 228 . 7 1 1 A 17 17 LYS CB C 17 31.431 31.938 -0.507 1
1 232 . 7 1 1 A 17 17 LYS N N 17 117.572 118.409 -0.837 1
1 233 . 7 1 1 A 18 18 ALA H H 18 7.296 8.122 -0.826 1
1 234 . 7 1 1 A 18 18 ALA HA H 18 4.100 3.960 0.140 1
1 238 . 7 1 1 A 18 18 ALA C C 18 178.940 179.957 -1.017 1
1 239 . 7 1 1 A 18 18 ALA CA C 18 54.513 54.937 -0.424 1
1 240 . 7 1 1 A 18 18 ALA CB C 18 18.132 17.927 0.205 1
1 241 . 7 1 1 A 18 18 ALA N N 18 119.644 121.130 -1.486 1
1 242 . 7 1 1 A 19 19 GLN H H 19 7.443 7.596 -0.153 1
1 243 . 7 1 1 A 19 19 GLN HA H 19 4.535 4.168 0.367 1
1 250 . 7 1 1 A 19 19 GLN C C 19 176.607 176.699 -0.092 1
1 251 . 7 1 1 A 19 19 GLN CA C 19 55.755 56.234 -0.479 1
1 252 . 7 1 1 A 19 19 GLN CB C 19 30.075 28.796 1.279 1
1 255 . 7 1 1 A 19 19 GLN N N 19 113.538 115.149 -1.611 1
1 257 . 7 1 1 A 20 20 GLY H H 20 8.277 8.872 -0.595 1
1 258 . 7 1 1 A 20 20 GLY HA2 H 20 4.450 3.789 0.661 1
1 259 . 7 1 1 A 20 20 GLY HA3 H 20 3.627 3.814 -0.187 1
1 260 . 7 1 1 A 20 20 GLY C C 20 174.006 173.717 0.289 1
1 261 . 7 1 1 A 20 20 GLY CA C 20 45.567 45.619 -0.052 1
1 262 . 7 1 1 A 20 20 GLY N N 20 108.233 109.160 -0.927 1
1 263 . 7 1 1 A 21 21 ARG H H 21 7.786 7.628 0.158 1
1 264 . 7 1 1 A 21 21 ARG HA H 21 5.123 4.870 0.253 1
1 272 . 7 1 1 A 21 21 ARG C C 21 171.553 174.368 -2.815 1
1 273 . 7 1 1 A 21 21 ARG CA C 21 54.882 55.157 -0.275 1
1 274 . 7 1 1 A 21 21 ARG CB C 21 32.114 33.143 -1.029 1
1 277 . 7 1 1 A 21 21 ARG N N 21 116.837 120.402 -3.565 1
1 279 . 7 1 1 A 22 22 PHE H H 22 9.821 9.620 0.201 1
1 280 . 7 1 1 A 22 22 PHE HA H 22 5.185 4.844 0.341 1
1 285 . 7 1 1 A 22 22 PHE C C 22 173.825 175.624 -1.799 1
1 286 . 7 1 1 A 22 22 PHE CA C 22 54.913 57.153 -2.240 1
1 287 . 7 1 1 A 22 22 PHE CB C 22 41.568 39.463 2.105 1
1 290 . 7 1 1 A 22 22 PHE N N 22 121.680 128.554 -6.874 1
1 291 . 7 1 1 A 23 23 GLU H H 23 9.053 8.805 0.248 1
1 292 . 7 1 1 A 23 23 GLU HA H 23 3.893 4.165 -0.272 1
1 297 . 7 1 1 A 23 23 GLU C C 23 174.856 176.111 -1.255 1
1 298 . 7 1 1 A 23 23 GLU CA C 23 56.781 56.406 0.375 1
1 299 . 7 1 1 A 23 23 GLU CB C 23 29.990 30.826 -0.836 1
1 301 . 7 1 1 A 23 23 GLU N N 23 125.059 127.194 -2.135 1
1 302 . 7 1 1 A 24 24 GLY HA2 H 24 4.212 3.367 0.845 1
1 303 . 7 1 1 A 24 24 GLY HA3 H 24 3.112 3.745 -0.633 1
1 304 . 7 1 1 A 24 24 GLY C C 24 173.311 172.807 0.504 1
1 305 . 7 1 1 A 24 24 GLY CA C 24 45.104 43.264 1.840 1
1 306 . 7 1 1 A 25 25 SER H H 25 9.877 8.167 1.710 1
1 307 . 7 1 1 A 25 25 SER HA H 25 4.884 4.804 0.080 1
1 310 . 7 1 1 A 25 25 SER C C 25 173.788 175.450 -1.662 1
1 311 . 7 1 1 A 25 25 SER CA C 25 57.549 56.418 1.131 1
1 312 . 7 1 1 A 25 25 SER CB C 25 65.383 65.399 -0.016 1
1 313 . 7 1 1 A 25 25 SER N N 25 121.073 112.435 8.638 1
1 314 . 7 1 1 A 26 26 ALA H H 26 9.097 9.026 0.071 1
1 315 . 7 1 1 A 26 26 ALA HA H 26 3.964 3.964 0.000 1
1 319 . 7 1 1 A 26 26 ALA C C 26 181.102 179.534 1.568 1
1 320 . 7 1 1 A 26 26 ALA CA C 26 56.670 55.498 1.172 1
1 321 . 7 1 1 A 26 26 ALA CB C 26 17.927 18.167 -0.240 1
1 322 . 7 1 1 A 26 26 ALA N N 26 123.398 123.177 0.221 1
1 323 . 7 1 1 A 27 27 VAL H H 27 7.928 7.977 -0.049 1
1 324 . 7 1 1 A 27 27 VAL HA H 27 3.593 3.793 -0.200 1
1 332 . 7 1 1 A 27 27 VAL C C 27 176.628 177.629 -1.001 1
1 333 . 7 1 1 A 27 27 VAL CA C 27 65.257 65.139 0.118 1
1 334 . 7 1 1 A 27 27 VAL CB C 27 31.688 31.343 0.345 1
1 337 . 7 1 1 A 27 27 VAL N N 27 117.697 116.998 0.699 1
1 338 . 7 1 1 A 28 28 ASP H H 28 6.927 8.109 -1.182 1
1 339 . 7 1 1 A 28 28 ASP HA H 28 4.512 4.431 0.081 1
1 342 . 7 1 1 A 28 28 ASP C C 28 178.402 179.001 -0.599 1
1 343 . 7 1 1 A 28 28 ASP CA C 28 56.586 56.969 -0.383 1
1 344 . 7 1 1 A 28 28 ASP CB C 28 41.317 40.457 0.860 1
1 345 . 7 1 1 A 28 28 ASP N N 28 121.516 122.141 -0.625 1
1 346 . 7 1 1 A 29 29 LEU H H 29 8.309 7.966 0.343 1
1 347 . 7 1 1 A 29 29 LEU HA H 29 3.764 3.988 -0.224 1
1 357 . 7 1 1 A 29 29 LEU C C 29 180.093 179.256 0.837 1
1 358 . 7 1 1 A 29 29 LEU CA C 29 57.091 57.830 -0.739 1
1 359 . 7 1 1 A 29 29 LEU CB C 29 41.418 40.703 0.715 1
1 363 . 7 1 1 A 29 29 LEU N N 29 118.648 120.342 -1.694 1
1 364 . 7 1 1 A 30 30 ALA H H 30 7.458 8.424 -0.966 1
1 365 . 7 1 1 A 30 30 ALA HA H 30 4.000 3.974 0.026 1
1 369 . 7 1 1 A 30 30 ALA C C 30 179.371 179.861 -0.490 1
1 370 . 7 1 1 A 30 30 ALA CA C 30 54.526 55.347 -0.821 1
1 371 . 7 1 1 A 30 30 ALA CB C 30 18.102 18.122 -0.020 1
1 372 . 7 1 1 A 30 30 ALA N N 30 120.814 122.546 -1.732 1
1 373 . 7 1 1 A 31 31 ASP H H 31 7.682 8.040 -0.358 1
1 374 . 7 1 1 A 31 31 ASP HA H 31 4.410 4.290 0.120 1
1 377 . 7 1 1 A 31 31 ASP C C 31 176.610 175.956 0.654 1
1 378 . 7 1 1 A 31 31 ASP CA C 31 55.271 54.342 0.929 1
1 379 . 7 1 1 A 31 31 ASP CB C 31 40.083 40.670 -0.587 1
1 380 . 7 1 1 A 31 31 ASP N N 31 117.191 115.726 1.465 1
1 381 . 7 1 1 A 32 32 GLY H H 32 7.909 8.632 -0.723 1
1 382 . 7 1 1 A 32 32 GLY HA2 H 32 4.090 3.837 0.253 1
1 383 . 7 1 1 A 32 32 GLY HA3 H 32 3.597 3.837 -0.240 1
1 384 . 7 1 1 A 32 32 GLY C C 32 173.168 173.411 -0.243 1
1 385 . 7 1 1 A 32 32 GLY CA C 32 45.112 45.184 -0.072 1
1 386 . 7 1 1 A 32 32 GLY N N 32 106.983 107.277 -0.294 1
1 387 . 7 1 1 A 33 33 PHE H H 33 7.233 6.993 0.240 1
1 388 . 7 1 1 A 33 33 PHE HA H 33 4.212 4.964 -0.752 1
1 396 . 7 1 1 A 33 33 PHE C C 33 171.389 173.542 -2.153 1
1 397 . 7 1 1 A 33 33 PHE CA C 33 55.383 55.822 -0.439 1
1 398 . 7 1 1 A 33 33 PHE CB C 33 37.177 40.871 -3.694 1
1 404 . 7 1 1 A 33 33 PHE N N 33 115.364 114.435 0.929 1
1 405 . 7 1 1 A 34 34 ILE H H 34 8.637 8.078 0.559 1
1 406 . 7 1 1 A 34 34 ILE HA H 34 3.817 3.951 -0.134 1
1 416 . 7 1 1 A 34 34 ILE C C 34 177.018 175.489 1.529 1
1 417 . 7 1 1 A 34 34 ILE CA C 34 60.724 61.914 -1.190 1
1 418 . 7 1 1 A 34 34 ILE CB C 34 39.266 37.935 1.331 1
1 422 . 7 1 1 A 34 34 ILE N N 34 114.086 121.159 -7.073 1
1 423 . 7 1 1 A 35 35 HIS H H 35 9.203 8.435 0.768 1
1 424 . 7 1 1 A 35 35 HIS HA H 35 4.448 5.375 -0.927 1
1 428 . 7 1 1 A 35 35 HIS C C 35 175.740 174.866 0.874 1
1 429 . 7 1 1 A 35 35 HIS CA C 35 57.757 53.923 3.834 1
1 430 . 7 1 1 A 35 35 HIS CB C 35 29.758 31.217 -1.459 1
1 432 . 7 1 1 A 35 35 HIS N N 35 127.988 122.825 5.163 1
1 433 . 7 1 1 A 36 36 LEU H H 36 8.454 8.923 -0.469 1
1 434 . 7 1 1 A 36 36 LEU HA H 36 5.190 4.174 1.016 1
1 444 . 7 1 1 A 36 36 LEU C C 36 174.813 177.277 -2.464 1
1 445 . 7 1 1 A 36 36 LEU CA C 36 56.019 56.090 -0.071 1
1 446 . 7 1 1 A 36 36 LEU CB C 36 44.541 42.706 1.835 1
1 450 . 7 1 1 A 36 36 LEU N N 36 126.075 124.991 1.084 1
1 451 . 7 1 1 A 37 37 SER H H 37 9.128 7.981 1.147 1
1 452 . 7 1 1 A 37 37 SER HA H 37 5.277 4.538 0.739 1
1 455 . 7 1 1 A 37 37 SER C C 37 174.433 173.002 1.431 1
1 456 . 7 1 1 A 37 37 SER CA C 37 57.990 60.437 -2.447 1
1 457 . 7 1 1 A 37 37 SER CB C 37 66.778 62.175 4.603 1
1 458 . 7 1 1 A 37 37 SER N N 37 112.795 113.276 -0.481 1
1 459 . 7 1 1 A 38 38 ALA H H 38 9.665 8.014 1.651 1
1 460 . 7 1 1 A 38 38 ALA HA H 38 4.973 4.917 0.056 1
1 464 . 7 1 1 A 38 38 ALA C C 38 179.640 178.057 1.583 1
1 465 . 7 1 1 A 38 38 ALA CA C 38 52.303 51.334 0.969 1
1 466 . 7 1 1 A 38 38 ALA CB C 38 19.350 22.247 -2.897 1
1 467 . 7 1 1 A 38 38 ALA N N 38 127.103 124.935 2.168 1
1 468 . 7 1 1 A 39 39 GLY H H 39 10.159 9.029 1.130 1
1 469 . 7 1 1 A 39 39 GLY HA2 H 39 4.249 3.735 0.514 1
1 470 . 7 1 1 A 39 39 GLY HA3 H 39 3.720 3.920 -0.200 1
1 471 . 7 1 1 A 39 39 GLY C C 39 176.229 175.337 0.892 1
1 472 . 7 1 1 A 39 39 GLY CA C 39 49.163 47.121 2.042 1
1 473 . 7 1 1 A 39 39 GLY N N 39 112.007 112.260 -0.253 1
1 474 . 7 1 1 A 40 40 GLU H H 40 9.367 8.874 0.493 1
1 475 . 7 1 1 A 40 40 GLU HA H 40 4.234 3.999 0.235 1
1 480 . 7 1 1 A 40 40 GLU C C 40 176.417 179.084 -2.667 1
1 481 . 7 1 1 A 40 40 GLU CA C 40 58.622 59.711 -1.089 1
1 482 . 7 1 1 A 40 40 GLU CB C 40 28.796 29.103 -0.307 1
1 484 . 7 1 1 A 40 40 GLU N N 40 117.243 124.990 -7.747 1
1 485 . 7 1 1 A 41 41 GLN H H 41 7.503 7.925 -0.422 1
1 486 . 7 1 1 A 41 41 GLN HA H 41 4.752 4.110 0.642 1
1 493 . 7 1 1 A 41 41 GLN C C 41 177.730 178.435 -0.705 1
1 494 . 7 1 1 A 41 41 GLN CA C 41 55.626 58.819 -3.193 1
1 495 . 7 1 1 A 41 41 GLN CB C 41 30.653 28.559 2.094 1
1 498 . 7 1 1 A 41 41 GLN N N 41 115.837 118.039 -2.202 1
1 500 . 7 1 1 A 42 42 ALA H H 42 7.519 8.128 -0.609 1
1 501 . 7 1 1 A 42 42 ALA HA H 42 3.927 4.066 -0.139 1
1 505 . 7 1 1 A 42 42 ALA C C 42 177.826 179.132 -1.306 1
1 506 . 7 1 1 A 42 42 ALA CA C 42 56.706 55.459 1.247 1
1 507 . 7 1 1 A 42 42 ALA CB C 42 18.247 18.218 0.029 1
1 508 . 7 1 1 A 42 42 ALA N N 42 123.105 123.077 0.028 1
1 509 . 7 1 1 A 43 43 GLN H H 43 9.203 8.216 0.987 1
1 510 . 7 1 1 A 43 43 GLN HA H 43 3.942 3.967 -0.025 1
1 517 . 7 1 1 A 43 43 GLN C C 43 177.913 177.957 -0.044 1
1 518 . 7 1 1 A 43 43 GLN CA C 43 58.678 59.293 -0.615 1
1 519 . 7 1 1 A 43 43 GLN CB C 43 28.815 28.299 0.516 1
1 522 . 7 1 1 A 43 43 GLN N N 43 118.650 117.962 0.688 1
1 524 . 7 1 1 A 44 44 GLU H H 44 8.611 7.983 0.628 1
1 525 . 7 1 1 A 44 44 GLU HA H 44 4.207 4.117 0.090 1
1 530 . 7 1 1 A 44 44 GLU C C 44 179.090 179.471 -0.381 1
1 531 . 7 1 1 A 44 44 GLU CA C 44 59.246 59.250 -0.004 1
1 532 . 7 1 1 A 44 44 GLU CB C 44 28.850 29.668 -0.818 1
1 534 . 7 1 1 A 44 44 GLU N N 44 122.042 120.023 2.019 1
1 535 . 7 1 1 A 45 45 THR H H 45 8.292 8.211 0.081 1
1 536 . 7 1 1 A 45 45 THR HA H 45 4.123 4.128 -0.005 1
1 541 . 7 1 1 A 45 45 THR C C 45 176.228 176.489 -0.261 1
1 542 . 7 1 1 A 45 45 THR CA C 45 66.902 66.249 0.653 1
1 543 . 7 1 1 A 45 45 THR CB C 45 68.949 68.470 0.479 1
1 545 . 7 1 1 A 45 45 THR N N 45 117.583 116.526 1.057 1
1 546 . 7 1 1 A 46 46 ALA H H 46 8.275 8.869 -0.594 1
1 547 . 7 1 1 A 46 46 ALA HA H 46 4.255 4.435 -0.180 1
1 551 . 7 1 1 A 46 46 ALA C C 46 178.630 179.577 -0.947 1
1 552 . 7 1 1 A 46 46 ALA CA C 46 55.406 55.730 -0.324 1
1 553 . 7 1 1 A 46 46 ALA CB C 46 18.482 18.110 0.372 1
1 554 . 7 1 1 A 46 46 ALA N N 46 123.184 123.771 -0.587 1
1 555 . 7 1 1 A 47 47 ALA H H 47 8.066 8.220 -0.154 1
1 556 . 7 1 1 A 47 47 ALA HA H 47 3.953 4.128 -0.175 1
1 560 . 7 1 1 A 47 47 ALA C C 47 178.552 180.123 -1.571 1
1 561 . 7 1 1 A 47 47 ALA CA C 47 55.030 54.952 0.078 1
1 562 . 7 1 1 A 47 47 ALA CB C 47 18.899 18.556 0.343 1
1 563 . 7 1 1 A 47 47 ALA N N 47 117.129 119.737 -2.608 1
1 564 . 7 1 1 A 48 48 LYS H H 48 8.089 7.788 0.301 1
1 565 . 7 1 1 A 48 48 LYS HA H 48 3.936 4.033 -0.097 1
1 574 . 7 1 1 A 48 48 LYS C C 48 179.130 178.065 1.065 1
1 575 . 7 1 1 A 48 48 LYS CA C 48 58.560 58.733 -0.173 1
1 576 . 7 1 1 A 48 48 LYS CB C 48 33.122 32.901 0.221 1
1 580 . 7 1 1 A 48 48 LYS N N 48 115.322 117.858 -2.536 1
1 581 . 7 1 1 A 49 49 TRP H H 49 7.978 8.166 -0.188 1
1 582 . 7 1 1 A 49 49 TRP HA H 49 4.807 4.556 0.251 1
1 591 . 7 1 1 A 49 49 TRP C C 49 176.923 177.785 -0.862 1
1 592 . 7 1 1 A 49 49 TRP CA C 49 57.157 58.920 -1.763 1
1 593 . 7 1 1 A 49 49 TRP CB C 49 31.461 30.304 1.157 1
1 599 . 7 1 1 A 49 49 TRP N N 49 114.492 117.273 -2.781 1
1 601 . 7 1 1 A 50 50 PHE H H 50 7.740 8.725 -0.985 1
1 602 . 7 1 1 A 50 50 PHE HA H 50 4.925 4.521 0.404 1
1 608 . 7 1 1 A 50 50 PHE C C 50 174.160 177.861 -3.701 1
1 609 . 7 1 1 A 50 50 PHE CA C 50 57.772 61.720 -3.948 1
1 610 . 7 1 1 A 50 50 PHE CB C 50 39.610 38.031 1.579 1
1 614 . 7 1 1 A 50 50 PHE N N 50 116.540 117.579 -1.039 1
1 615 . 7 1 1 A 51 51 ARG H H 51 7.389 8.800 -1.411 1
1 616 . 7 1 1 A 51 51 ARG HA H 51 4.198 4.762 -0.564 1
1 624 . 7 1 1 A 51 51 ARG C C 51 179.130 177.014 2.116 1
1 625 . 7 1 1 A 51 51 ARG CA C 51 58.224 57.706 0.518 1
1 626 . 7 1 1 A 51 51 ARG CB C 51 30.032 29.363 0.669 1
1 629 . 7 1 1 A 51 51 ARG N N 51 119.136 118.597 0.539 1
1 631 . 7 1 1 A 52 52 GLY H H 52 10.264 7.812 2.452 1
1 632 . 7 1 1 A 52 52 GLY HA2 H 52 4.180 4.121 0.059 1
1 633 . 7 1 1 A 52 52 GLY HA3 H 52 3.745 4.134 -0.389 1
1 634 . 7 1 1 A 52 52 GLY C C 52 173.980 173.367 0.613 1
1 635 . 7 1 1 A 52 52 GLY CA C 52 45.517 45.754 -0.237 1
1 636 . 7 1 1 A 52 52 GLY N N 52 114.192 106.881 7.311 1
1 637 . 7 1 1 A 53 53 GLN H H 53 7.597 7.310 0.287 1
1 638 . 7 1 1 A 53 53 GLN HA H 53 4.437 4.841 -0.404 1
1 645 . 7 1 1 A 53 53 GLN C C 53 172.934 174.235 -1.301 1
1 646 . 7 1 1 A 53 53 GLN CA C 53 56.280 53.814 2.466 1
1 647 . 7 1 1 A 53 53 GLN CB C 53 29.123 32.515 -3.392 1
1 650 . 7 1 1 A 53 53 GLN N N 53 120.438 118.300 2.138 1
1 652 . 7 1 1 A 54 54 ALA H H 54 8.190 8.665 -0.475 1
1 653 . 7 1 1 A 54 54 ALA HA H 54 4.344 4.870 -0.526 1
1 657 . 7 1 1 A 54 54 ALA C C 54 177.278 176.771 0.507 1
1 658 . 7 1 1 A 54 54 ALA CA C 54 51.377 50.244 1.133 1
1 659 . 7 1 1 A 54 54 ALA CB C 54 20.525 22.023 -1.498 1
1 660 . 7 1 1 A 54 54 ALA N N 54 124.528 121.560 2.968 1
1 661 . 7 1 1 A 55 55 ASN H H 55 8.903 8.765 0.138 1
1 662 . 7 1 1 A 55 55 ASN HA H 55 4.598 4.260 0.338 1
1 667 . 7 1 1 A 55 55 ASN C C 55 174.075 174.733 -0.658 1
1 668 . 7 1 1 A 55 55 ASN CA C 55 53.986 54.133 -0.147 1
1 669 . 7 1 1 A 55 55 ASN CB C 55 37.654 36.937 0.717 1
1 671 . 7 1 1 A 55 55 ASN N N 55 113.776 114.160 -0.384 1
1 673 . 7 1 1 A 56 56 LEU H H 56 8.543 8.122 0.421 1
1 674 . 7 1 1 A 56 56 LEU HA H 56 4.677 4.369 0.308 1
1 684 . 7 1 1 A 56 56 LEU C C 56 176.806 176.647 0.159 1
1 685 . 7 1 1 A 56 56 LEU CA C 56 54.383 55.327 -0.944 1
1 686 . 7 1 1 A 56 56 LEU CB C 56 45.328 42.012 3.316 1
1 690 . 7 1 1 A 56 56 LEU N N 56 117.411 119.616 -2.205 1
1 691 . 7 1 1 A 57 57 VAL H H 57 9.207 9.068 0.139 1
1 692 . 7 1 1 A 57 57 VAL HA H 57 4.633 4.841 -0.208 1
1 700 . 7 1 1 A 57 57 VAL C C 57 172.465 173.847 -1.382 1
1 701 . 7 1 1 A 57 57 VAL CA C 57 59.970 60.753 -0.783 1
1 702 . 7 1 1 A 57 57 VAL CB C 57 35.376 35.323 0.053 1
1 705 . 7 1 1 A 57 57 VAL N N 57 121.448 125.420 -3.972 1
1 706 . 7 1 1 A 58 58 LEU H H 58 8.855 8.970 -0.115 1
1 707 . 7 1 1 A 58 58 LEU HA H 58 4.763 4.891 -0.128 1
1 717 . 7 1 1 A 58 58 LEU C C 58 175.349 174.629 0.720 1
1 718 . 7 1 1 A 58 58 LEU CA C 58 52.286 53.404 -1.118 1
1 719 . 7 1 1 A 58 58 LEU CB C 58 46.390 44.118 2.272 1
1 723 . 7 1 1 A 58 58 LEU N N 58 124.476 128.950 -4.474 1
1 724 . 7 1 1 A 59 59 LEU H H 59 9.265 9.010 0.255 1
1 725 . 7 1 1 A 59 59 LEU HA H 59 4.714 4.370 0.344 1
1 735 . 7 1 1 A 59 59 LEU C C 59 175.262 175.445 -0.183 1
1 736 . 7 1 1 A 59 59 LEU CA C 59 52.753 53.998 -1.245 1
1 737 . 7 1 1 A 59 59 LEU CB C 59 42.431 41.038 1.393 1
1 741 . 7 1 1 A 59 59 LEU N N 59 125.973 128.318 -2.345 1
1 742 . 7 1 1 A 60 60 ALA H H 60 8.331 8.928 -0.597 1
1 743 . 7 1 1 A 60 60 ALA HA H 60 4.739 4.801 -0.062 1
1 747 . 7 1 1 A 60 60 ALA C C 60 175.631 176.062 -0.431 1
1 748 . 7 1 1 A 60 60 ALA CA C 60 50.320 50.130 0.190 1
1 749 . 7 1 1 A 60 60 ALA CB C 60 21.744 20.451 1.293 1
1 750 . 7 1 1 A 60 60 ALA N N 60 124.617 128.341 -3.724 1
1 751 . 7 1 1 A 61 61 VAL H H 61 8.944 8.474 0.470 1
1 752 . 7 1 1 A 61 61 VAL HA H 61 4.244 4.521 -0.277 1
1 760 . 7 1 1 A 61 61 VAL C C 61 174.674 174.724 -0.050 1
1 761 . 7 1 1 A 61 61 VAL CA C 61 60.770 60.371 0.399 1
1 762 . 7 1 1 A 61 61 VAL CB C 61 36.636 35.174 1.462 1
1 765 . 7 1 1 A 61 61 VAL N N 61 124.079 122.851 1.228 1
1 766 . 7 1 1 A 62 62 GLU H H 62 8.490 8.676 -0.186 1
1 767 . 7 1 1 A 62 62 GLU HA H 62 4.551 4.236 0.315 1
1 772 . 7 1 1 A 62 62 GLU C C 62 177.700 177.358 0.342 1
1 773 . 7 1 1 A 62 62 GLU CA C 62 56.879 56.977 -0.098 1
1 774 . 7 1 1 A 62 62 GLU CB C 62 29.372 29.929 -0.557 1
1 776 . 7 1 1 A 62 62 GLU N N 62 127.752 126.627 1.125 1
1 777 . 7 1 1 A 63 63 ALA H H 63 9.173 9.040 0.133 1
1 778 . 7 1 1 A 63 63 ALA HA H 63 3.991 4.120 -0.129 1
1 782 . 7 1 1 A 63 63 ALA C C 63 180.311 179.750 0.561 1
1 783 . 7 1 1 A 63 63 ALA CA C 63 54.850 54.664 0.186 1
1 784 . 7 1 1 A 63 63 ALA CB C 63 19.495 18.485 1.010 1
1 785 . 7 1 1 A 63 63 ALA N N 63 127.466 126.058 1.408 1
1 786 . 7 1 1 A 64 64 GLU H H 64 9.571 8.241 1.330 1
1 787 . 7 1 1 A 64 64 GLU HA H 64 4.146 4.140 0.006 1
1 792 . 7 1 1 A 64 64 GLU C C 64 177.102 175.720 1.382 1
1 793 . 7 1 1 A 64 64 GLU CA C 64 63.532 61.459 2.073 1
1 794 . 7 1 1 A 64 64 GLU CB C 64 25.742 28.434 -2.692 1
1 796 . 7 1 1 A 64 64 GLU N N 64 120.368 118.698 1.670 1
1 797 . 7 1 1 A 65 65 PRO HA H 65 4.440 4.217 0.223 1
1 804 . 7 1 1 A 65 65 PRO C C 65 177.332 178.634 -1.302 1
1 805 . 7 1 1 A 65 65 PRO CA C 65 64.973 66.443 -1.470 1
1 806 . 7 1 1 A 65 65 PRO CB C 65 31.341 30.851 0.490 1
1 809 . 7 1 1 A 66 66 LEU H H 66 7.412 7.955 -0.543 1
1 810 . 7 1 1 A 66 66 LEU HA H 66 4.023 4.170 -0.147 1
1 820 . 7 1 1 A 66 66 LEU C C 66 178.533 177.046 1.487 1
1 821 . 7 1 1 A 66 66 LEU CA C 66 55.861 55.567 0.294 1
1 822 . 7 1 1 A 66 66 LEU CB C 66 41.349 42.878 -1.529 1
1 826 . 7 1 1 A 66 66 LEU N N 66 114.991 117.289 -2.298 1
1 827 . 7 1 1 A 67 67 GLY H H 67 7.733 7.764 -0.031 1
1 828 . 7 1 1 A 67 67 GLY HA2 H 67 4.018 3.845 0.173 1
1 829 . 7 1 1 A 67 67 GLY HA3 H 67 3.909 3.854 0.055 1
1 830 . 7 1 1 A 67 67 GLY C C 67 175.925 175.317 0.608 1
1 831 . 7 1 1 A 67 67 GLY CA C 67 46.054 47.398 -1.344 1
1 832 . 7 1 1 A 67 67 GLY N N 67 104.242 108.726 -4.484 1
1 833 . 7 1 1 A 68 68 GLU H H 68 8.887 9.036 -0.149 1
1 834 . 7 1 1 A 68 68 GLU HA H 68 4.219 4.103 0.116 1
1 839 . 7 1 1 A 68 68 GLU C C 68 176.314 177.808 -1.494 1
1 840 . 7 1 1 A 68 68 GLU CA C 68 57.652 59.498 -1.846 1
1 841 . 7 1 1 A 68 68 GLU CB C 68 29.306 29.123 0.183 1
1 843 . 7 1 1 A 68 68 GLU N N 68 121.253 126.315 -5.062 1
1 844 . 7 1 1 A 69 69 ASP H H 69 7.630 7.689 -0.059 1
1 845 . 7 1 1 A 69 69 ASP HA H 69 4.587 4.687 -0.100 1
1 848 . 7 1 1 A 69 69 ASP C C 69 174.665 175.745 -1.080 1
1 849 . 7 1 1 A 69 69 ASP CA C 69 56.078 55.580 0.498 1
1 850 . 7 1 1 A 69 69 ASP CB C 69 41.572 40.878 0.694 1
1 851 . 7 1 1 A 69 69 ASP N N 69 116.486 118.254 -1.768 1
1 852 . 7 1 1 A 70 70 LEU H H 70 7.433 7.509 -0.076 1
1 853 . 7 1 1 A 70 70 LEU HA H 70 4.854 4.949 -0.095 1
1 863 . 7 1 1 A 70 70 LEU C C 70 174.259 174.749 -0.490 1
1 864 . 7 1 1 A 70 70 LEU CA C 70 53.281 53.611 -0.330 1
1 865 . 7 1 1 A 70 70 LEU CB C 70 43.024 45.236 -2.212 1
1 869 . 7 1 1 A 70 70 LEU N N 70 121.585 121.424 0.161 1
1 870 . 7 1 1 A 71 71 LYS H H 71 9.114 8.859 0.255 1
1 871 . 7 1 1 A 71 71 LYS HA H 71 4.724 5.195 -0.471 1
1 880 . 7 1 1 A 71 71 LYS C C 71 175.146 174.658 0.488 1
1 881 . 7 1 1 A 71 71 LYS CA C 71 54.024 54.747 -0.723 1
1 882 . 7 1 1 A 71 71 LYS CB C 71 35.469 36.552 -1.083 1
1 886 . 7 1 1 A 71 71 LYS N N 71 126.179 127.428 -1.249 1
1 887 . 7 1 1 A 72 72 TRP H H 72 8.981 9.156 -0.175 1
1 888 . 7 1 1 A 72 72 TRP HA H 72 4.720 4.720 0.000 1
1 897 . 7 1 1 A 72 72 TRP C C 72 176.394 175.663 0.731 1
1 898 . 7 1 1 A 72 72 TRP CA C 72 55.876 56.569 -0.693 1
1 899 . 7 1 1 A 72 72 TRP CB C 72 27.789 28.283 -0.494 1
1 905 . 7 1 1 A 72 72 TRP N N 72 125.904 128.264 -2.360 1
1 907 . 7 1 1 A 73 73 GLU H H 73 8.558 8.413 0.145 1
1 908 . 7 1 1 A 73 73 GLU HA H 73 4.762 4.685 0.077 1
1 913 . 7 1 1 A 73 73 GLU C C 73 175.459 176.272 -0.813 1
1 914 . 7 1 1 A 73 73 GLU CA C 73 55.208 56.744 -1.536 1
1 915 . 7 1 1 A 73 73 GLU CB C 73 32.615 30.492 2.123 1
1 917 . 7 1 1 A 73 73 GLU N N 73 123.290 124.537 -1.247 1
1 918 . 7 1 1 A 74 74 ALA H H 74 8.962 8.475 0.487 1
1 919 . 7 1 1 A 74 74 ALA HA H 74 4.738 4.375 0.363 1
1 923 . 7 1 1 A 74 74 ALA C C 74 177.803 177.437 0.366 1
1 924 . 7 1 1 A 74 74 ALA CA C 74 52.246 52.741 -0.495 1
1 925 . 7 1 1 A 74 74 ALA CB C 74 20.070 19.208 0.862 1
1 926 . 7 1 1 A 74 74 ALA N N 74 127.315 127.221 0.094 1
1 927 . 7 1 1 A 75 75 SER H H 75 8.762 9.088 -0.326 1
1 928 . 7 1 1 A 75 75 SER HA H 75 4.850 4.988 -0.138 1
1 931 . 7 1 1 A 75 75 SER C C 75 176.080 175.335 0.745 1
1 932 . 7 1 1 A 75 75 SER CA C 75 56.954 57.439 -0.485 1
1 933 . 7 1 1 A 75 75 SER CB C 75 65.244 65.758 -0.514 1
1 934 . 7 1 1 A 75 75 SER N N 75 117.745 117.671 0.074 1
1 935 . 7 1 1 A 76 76 ARG HA H 76 4.193 4.091 0.102 1
1 943 . 7 1 1 A 76 76 ARG CA C 76 58.895 59.639 -0.744 1
1 944 . 7 1 1 A 76 76 ARG CB C 76 29.877 29.917 -0.040 1
1 947 . 7 1 1 A 77 77 GLY C C 77 175.277 174.686 0.591 1
1 948 . 7 1 1 A 78 78 GLY H H 78 8.045 7.755 0.290 1
1 949 . 7 1 1 A 78 78 GLY HA2 H 78 4.390 4.055 0.335 1
1 950 . 7 1 1 A 78 78 GLY HA3 H 78 3.786 4.065 -0.279 1
1 951 . 7 1 1 A 78 78 GLY C C 78 173.503 174.672 -1.169 1
1 952 . 7 1 1 A 78 78 GLY CA C 78 45.296 45.309 -0.013 1
1 953 . 7 1 1 A 78 78 GLY N N 78 110.323 107.215 3.108 1
1 954 . 7 1 1 A 79 79 ALA H H 79 7.879 7.888 -0.009 1
1 955 . 7 1 1 A 79 79 ALA HA H 79 4.357 4.211 0.146 1
1 959 . 7 1 1 A 79 79 ALA C C 79 176.674 176.729 -0.055 1
1 960 . 7 1 1 A 79 79 ALA CA C 79 52.151 52.379 -0.228 1
1 961 . 7 1 1 A 79 79 ALA CB C 79 20.171 19.088 1.083 1
1 962 . 7 1 1 A 79 79 ALA N N 79 123.865 124.394 -0.529 1
1 963 . 7 1 1 A 80 80 ARG H H 80 8.375 8.424 -0.049 1
1 964 . 7 1 1 A 80 80 ARG HA H 80 4.629 4.889 -0.260 1
1 972 . 7 1 1 A 80 80 ARG C C 80 175.713 175.584 0.129 1
1 973 . 7 1 1 A 80 80 ARG CA C 80 55.622 55.709 -0.087 1
1 974 . 7 1 1 A 80 80 ARG CB C 80 32.074 31.997 0.077 1
1 977 . 7 1 1 A 80 80 ARG N N 80 119.145 121.994 -2.849 1
1 979 . 7 1 1 A 81 81 PHE H H 81 8.722 9.080 -0.358 1
1 980 . 7 1 1 A 81 81 PHE HA H 81 5.156 4.834 0.322 1
1 988 . 7 1 1 A 81 81 PHE C C 81 172.806 173.566 -0.760 1
1 989 . 7 1 1 A 81 81 PHE CA C 81 54.950 54.861 0.089 1
1 990 . 7 1 1 A 81 81 PHE CB C 81 42.240 41.605 0.635 1
1 996 . 7 1 1 A 81 81 PHE N N 81 123.774 120.702 3.072 1
1 997 . 7 1 1 A 82 82 PRO HA H 82 3.635 4.043 -0.408 1
1 1004 . 7 1 1 A 82 82 PRO C C 82 174.511 175.571 -1.060 1
1 1005 . 7 1 1 A 82 82 PRO CA C 82 61.347 62.155 -0.808 1
1 1006 . 7 1 1 A 82 82 PRO CB C 82 29.495 30.524 -1.029 1
1 1009 . 7 1 1 A 83 83 HIS H H 83 8.831 8.777 0.054 1
1 1010 . 7 1 1 A 83 83 HIS HA H 83 5.330 4.904 0.426 1
1 1014 . 7 1 1 A 83 83 HIS C C 83 172.952 173.892 -0.940 1
1 1015 . 7 1 1 A 83 83 HIS CA C 83 50.700 55.448 -4.748 1
1 1016 . 7 1 1 A 83 83 HIS CB C 83 33.238 31.509 1.729 1
1 1018 . 7 1 1 A 83 83 HIS N N 83 124.483 122.976 1.507 1
1 1019 . 7 1 1 A 84 84 LEU H H 84 9.063 9.013 0.050 1
1 1020 . 7 1 1 A 84 84 LEU HA H 84 5.163 4.628 0.535 1
1 1030 . 7 1 1 A 84 84 LEU C C 84 176.699 176.646 0.053 1
1 1031 . 7 1 1 A 84 84 LEU CA C 84 53.829 53.511 0.318 1
1 1032 . 7 1 1 A 84 84 LEU CB C 84 45.366 42.746 2.620 1
1 1036 . 7 1 1 A 84 84 LEU N N 84 125.218 126.155 -0.937 1
1 1037 . 7 1 1 A 85 85 TYR H H 85 9.058 8.767 0.291 1
1 1038 . 7 1 1 A 85 85 TYR HA H 85 4.508 4.682 -0.174 1
1 1045 . 7 1 1 A 85 85 TYR C C 85 173.624 174.777 -1.153 1
1 1046 . 7 1 1 A 85 85 TYR CA C 85 60.034 57.941 2.093 1
1 1047 . 7 1 1 A 85 85 TYR CB C 85 36.073 38.047 -1.974 1
1 1052 . 7 1 1 A 85 85 TYR N N 85 131.339 126.817 4.522 1
1 1053 . 7 1 1 A 86 86 ARG H H 86 7.432 7.555 -0.123 1
1 1054 . 7 1 1 A 86 86 ARG HA H 86 4.682 4.901 -0.219 1
1 1062 . 7 1 1 A 86 86 ARG C C 86 171.917 173.541 -1.624 1
1 1063 . 7 1 1 A 86 86 ARG CA C 86 54.953 52.752 2.201 1
1 1064 . 7 1 1 A 86 86 ARG CB C 86 28.209 31.901 -3.692 1
1 1067 . 7 1 1 A 86 86 ARG N N 86 114.399 118.615 -4.216 1
1 1069 . 7 1 1 A 87 87 PRO HA H 87 4.303 4.450 -0.147 1
1 1076 . 7 1 1 A 87 87 PRO C C 87 175.771 176.645 -0.874 1
1 1077 . 7 1 1 A 87 87 PRO CA C 87 63.497 63.247 0.250 1
1 1078 . 7 1 1 A 87 87 PRO CB C 87 32.253 31.634 0.619 1
1 1081 . 7 1 1 A 88 88 LEU H H 88 8.095 8.347 -0.252 1
1 1082 . 7 1 1 A 88 88 LEU HA H 88 4.286 4.431 -0.145 1
1 1092 . 7 1 1 A 88 88 LEU C C 88 175.946 175.392 0.554 1
1 1093 . 7 1 1 A 88 88 LEU CA C 88 53.675 54.994 -1.319 1
1 1094 . 7 1 1 A 88 88 LEU CB C 88 45.548 42.186 3.362 1
1 1098 . 7 1 1 A 88 88 LEU N N 88 125.942 123.510 2.432 1
1 1099 . 7 1 1 A 89 89 LEU H H 89 9.224 8.082 1.142 1
1 1100 . 7 1 1 A 89 89 LEU HA H 89 4.561 4.283 0.278 1
1 1110 . 7 1 1 A 89 89 LEU C C 89 179.295 177.995 1.300 1
1 1111 . 7 1 1 A 89 89 LEU CA C 89 55.212 55.703 -0.491 1
1 1112 . 7 1 1 A 89 89 LEU CB C 89 41.460 41.848 -0.388 1
1 1116 . 7 1 1 A 89 89 LEU N N 89 128.295 128.598 -0.303 1
1 1117 . 7 1 1 A 90 90 VAL H H 90 7.665 8.457 -0.792 1
1 1118 . 7 1 1 A 90 90 VAL HA H 90 3.785 3.862 -0.077 1
1 1126 . 7 1 1 A 90 90 VAL C C 90 178.510 177.754 0.756 1
1 1127 . 7 1 1 A 90 90 VAL CA C 90 66.833 66.235 0.598 1
1 1128 . 7 1 1 A 90 90 VAL CB C 90 31.330 31.818 -0.488 1
1 1131 . 7 1 1 A 90 90 VAL N N 90 122.696 122.522 0.174 1
1 1132 . 7 1 1 A 91 91 SER H H 91 8.134 8.236 -0.102 1
1 1133 . 7 1 1 A 91 91 SER HA H 91 4.280 4.327 -0.047 1
1 1136 . 7 1 1 A 91 91 SER C C 91 175.328 175.299 0.029 1
1 1137 . 7 1 1 A 91 91 SER CA C 91 59.822 60.831 -1.009 1
1 1138 . 7 1 1 A 91 91 SER CB C 91 62.512 63.134 -0.622 1
1 1139 . 7 1 1 A 91 91 SER N N 91 112.443 116.733 -4.290 1
1 1140 . 7 1 1 A 92 92 GLU H H 92 7.598 8.257 -0.659 1
1 1141 . 7 1 1 A 92 92 GLU HA H 92 4.221 4.379 -0.158 1
1 1146 . 7 1 1 A 92 92 GLU C C 92 175.722 176.874 -1.152 1
1 1147 . 7 1 1 A 92 92 GLU CA C 92 56.594 57.607 -1.013 1
1 1148 . 7 1 1 A 92 92 GLU CB C 92 29.511 30.046 -0.535 1
1 1150 . 7 1 1 A 92 92 GLU N N 92 120.359 119.656 0.703 1
1 1151 . 7 1 1 A 93 93 VAL H H 93 7.486 7.318 0.168 1
1 1152 . 7 1 1 A 93 93 VAL HA H 93 4.046 4.004 0.042 1
1 1160 . 7 1 1 A 93 93 VAL C C 93 176.093 175.576 0.517 1
1 1161 . 7 1 1 A 93 93 VAL CA C 93 63.242 63.552 -0.310 1
1 1162 . 7 1 1 A 93 93 VAL CB C 93 32.306 31.841 0.465 1
1 1165 . 7 1 1 A 93 93 VAL N N 93 121.222 120.731 0.491 1
1 1166 . 7 1 1 A 94 94 THR H H 94 9.003 8.748 0.255 1
1 1167 . 7 1 1 A 94 94 THR HA H 94 4.264 4.157 0.107 1
1 1172 . 7 1 1 A 94 94 THR C C 94 174.664 174.596 0.068 1
1 1173 . 7 1 1 A 94 94 THR CA C 94 64.438 64.423 0.015 1
1 1174 . 7 1 1 A 94 94 THR CB C 94 69.317 69.210 0.107 1
1 1176 . 7 1 1 A 94 94 THR N N 94 124.794 121.692 3.102 1
1 1177 . 7 1 1 A 95 95 ARG H H 95 7.514 7.702 -0.188 1
1 1178 . 7 1 1 A 95 95 ARG HA H 95 4.646 4.740 -0.094 1
1 1186 . 7 1 1 A 95 95 ARG C C 95 172.989 174.142 -1.153 1
1 1187 . 7 1 1 A 95 95 ARG CA C 95 55.872 54.776 1.096 1
1 1188 . 7 1 1 A 95 95 ARG CB C 95 33.789 34.782 -0.993 1
1 1191 . 7 1 1 A 95 95 ARG N N 95 118.660 118.407 0.253 1
1 1193 . 7 1 1 A 96 96 GLU H H 96 8.545 8.813 -0.268 1
1 1194 . 7 1 1 A 96 96 GLU HA H 96 5.329 4.955 0.374 1
1 1199 . 7 1 1 A 96 96 GLU C C 96 174.480 175.072 -0.592 1
1 1200 . 7 1 1 A 96 96 GLU CA C 96 53.415 54.583 -1.168 1
1 1201 . 7 1 1 A 96 96 GLU CB C 96 33.592 32.374 1.218 1
1 1203 . 7 1 1 A 96 96 GLU N N 96 121.828 118.473 3.355 1
1 1204 . 7 1 1 A 97 97 ALA H H 97 8.276 9.339 -1.063 1
1 1205 . 7 1 1 A 97 97 ALA HA H 97 4.537 5.211 -0.674 1
1 1209 . 7 1 1 A 97 97 ALA C C 97 175.233 174.823 0.410 1
1 1210 . 7 1 1 A 97 97 ALA CA C 97 51.368 49.933 1.435 1
1 1211 . 7 1 1 A 97 97 ALA CB C 97 22.101 23.023 -0.922 1
1 1212 . 7 1 1 A 97 97 ALA N N 97 123.211 125.700 -2.489 1
1 1213 . 7 1 1 A 98 98 ASP H H 98 8.399 8.876 -0.477 1
1 1214 . 7 1 1 A 98 98 ASP HA H 98 4.850 4.847 0.003 1
1 1217 . 7 1 1 A 98 98 ASP C C 98 176.085 175.485 0.600 1
1 1218 . 7 1 1 A 98 98 ASP CA C 98 54.824 53.013 1.811 1
1 1219 . 7 1 1 A 98 98 ASP CB C 98 41.694 41.574 0.120 1
1 1220 . 7 1 1 A 98 98 ASP N N 98 122.093 121.072 1.021 1
1 1221 . 7 1 1 A 99 99 LEU H H 99 7.854 8.231 -0.377 1
1 1222 . 7 1 1 A 99 99 LEU HA H 99 4.766 4.512 0.254 1
1 1232 . 7 1 1 A 99 99 LEU C C 99 176.250 176.661 -0.411 1
1 1233 . 7 1 1 A 99 99 LEU CA C 99 53.544 53.700 -0.156 1
1 1234 . 7 1 1 A 99 99 LEU CB C 99 44.229 43.087 1.142 1
1 1238 . 7 1 1 A 99 99 LEU N N 99 120.272 123.903 -3.631 1
1 1239 . 7 1 1 A 100 100 ASP H H 100 9.215 8.561 0.654 1
1 1240 . 7 1 1 A 100 100 ASP HA H 100 4.935 4.861 0.074 1
1 1243 . 7 1 1 A 100 100 ASP C C 100 174.956 175.546 -0.590 1
1 1244 . 7 1 1 A 100 100 ASP CA C 100 52.684 52.798 -0.114 1
1 1245 . 7 1 1 A 100 100 ASP CB C 100 43.362 41.856 1.506 1
1 1246 . 7 1 1 A 100 100 ASP N N 100 123.325 120.070 3.255 1
1 1247 . 7 1 1 A 101 101 LEU H H 101 8.526 8.816 -0.290 1
1 1248 . 7 1 1 A 101 101 LEU HA H 101 4.639 4.854 -0.215 1
1 1258 . 7 1 1 A 101 101 LEU C C 101 178.204 175.140 3.064 1
1 1259 . 7 1 1 A 101 101 LEU CA C 101 53.490 54.350 -0.860 1
1 1260 . 7 1 1 A 101 101 LEU CB C 101 44.374 43.584 0.790 1
1 1264 . 7 1 1 A 101 101 LEU N N 101 118.539 120.687 -2.148 1
1 1265 . 7 1 1 A 102 102 ASP H H 102 8.029 8.519 -0.490 1
1 1266 . 7 1 1 A 102 102 ASP HA H 102 4.615 4.926 -0.311 1
1 1269 . 7 1 1 A 102 102 ASP C C 102 178.176 176.308 1.868 1
1 1270 . 7 1 1 A 102 102 ASP CA C 102 52.297 53.405 -1.108 1
1 1271 . 7 1 1 A 102 102 ASP CB C 102 41.108 42.177 -1.069 1
1 1272 . 7 1 1 A 102 102 ASP N N 102 121.008 124.867 -3.859 1
1 1273 . 7 1 1 A 103 103 ALA H H 103 8.384 8.617 -0.233 1
1 1274 . 7 1 1 A 103 103 ALA HA H 103 4.099 3.877 0.222 1
1 1278 . 7 1 1 A 103 103 ALA C C 103 178.527 176.919 1.608 1
1 1279 . 7 1 1 A 103 103 ALA CA C 103 54.648 54.825 -0.177 1
1 1280 . 7 1 1 A 103 103 ALA CB C 103 18.604 17.979 0.625 1
1 1281 . 7 1 1 A 103 103 ALA N N 103 120.139 123.459 -3.320 1
1 1282 . 7 1 1 A 104 104 ASP H H 104 8.033 8.191 -0.158 1
1 1283 . 7 1 1 A 104 104 ASP HA H 104 4.811 4.907 -0.096 1
1 1286 . 7 1 1 A 104 104 ASP C C 104 176.113 176.274 -0.161 1
1 1287 . 7 1 1 A 104 104 ASP CA C 104 54.077 53.241 0.836 1
1 1288 . 7 1 1 A 104 104 ASP CB C 104 41.899 41.504 0.395 1
1 1289 . 7 1 1 A 104 104 ASP N N 104 116.590 116.573 0.017 1
1 1290 . 7 1 1 A 105 105 GLY H H 105 8.196 7.973 0.223 1
1 1291 . 7 1 1 A 105 105 GLY HA2 H 105 4.293 4.027 0.266 1
1 1292 . 7 1 1 A 105 105 GLY HA3 H 105 3.657 4.032 -0.375 1
1 1293 . 7 1 1 A 105 105 GLY C C 105 173.635 174.148 -0.513 1
1 1294 . 7 1 1 A 105 105 GLY CA C 105 45.741 45.304 0.437 1
1 1295 . 7 1 1 A 105 105 GLY N N 105 107.882 107.501 0.381 1
1 1296 . 7 1 1 A 106 106 VAL H H 106 8.886 8.021 0.865 1
1 1297 . 7 1 1 A 106 106 VAL HA H 106 4.082 4.302 -0.220 1
1 1305 . 7 1 1 A 106 106 VAL C C 106 175.529 174.833 0.696 1
1 1306 . 7 1 1 A 106 106 VAL CA C 106 61.360 59.545 1.815 1
1 1307 . 7 1 1 A 106 106 VAL CB C 106 32.373 32.706 -0.333 1
1 1310 . 7 1 1 A 106 106 VAL N N 106 125.585 122.055 3.530 1
1 1311 . 7 1 1 A 107 107 PRO HA H 107 4.737 4.903 -0.166 1
1 1318 . 7 1 1 A 107 107 PRO C C 107 176.029 176.799 -0.770 1
1 1319 . 7 1 1 A 107 107 PRO CA C 107 62.674 63.105 -0.431 1
1 1320 . 7 1 1 A 107 107 PRO CB C 107 31.789 31.598 0.191 1
1 1323 . 7 1 1 A 108 108 GLN H H 108 8.563 8.706 -0.143 1
1 1324 . 7 1 1 A 108 108 GLN HA H 108 4.498 4.436 0.062 1
1 1331 . 7 1 1 A 108 108 GLN C C 108 176.218 175.966 0.252 1
1 1332 . 7 1 1 A 108 108 GLN CA C 108 54.901 54.896 0.005 1
1 1333 . 7 1 1 A 108 108 GLN CB C 108 29.514 26.727 2.787 1
1 1336 . 7 1 1 A 108 108 GLN N N 108 122.641 122.537 0.104 1
1 1338 . 7 1 1 A 109 109 LEU H H 109 8.853 8.243 0.610 1
1 1339 . 7 1 1 A 109 109 LEU HA H 109 4.330 4.236 0.094 1
1 1349 . 7 1 1 A 109 109 LEU C C 109 178.151 179.255 -1.104 1
1 1350 . 7 1 1 A 109 109 LEU CA C 109 56.522 57.730 -1.208 1
1 1351 . 7 1 1 A 109 109 LEU CB C 109 41.883 41.246 0.637 1
1 1355 . 7 1 1 A 109 109 LEU N N 109 125.974 124.139 1.835 1
1 1356 . 7 1 1 A 110 110 GLY H H 110 8.809 8.279 0.530 1
1 1357 . 7 1 1 A 110 110 GLY HA2 H 110 3.952 3.802 0.150 1
1 1358 . 7 1 1 A 110 110 GLY HA3 H 110 3.551 3.805 -0.254 1
1 1359 . 7 1 1 A 110 110 GLY C C 110 176.002 175.864 0.138 1
1 1360 . 7 1 1 A 110 110 GLY CA C 110 48.748 47.236 1.512 1
1 1361 . 7 1 1 A 110 110 GLY N N 110 109.442 106.060 3.382 1
1 1362 . 7 1 1 A 111 111 ASP H H 111 8.674 7.867 0.807 1
1 1363 . 7 1 1 A 111 111 ASP HA H 111 4.317 4.349 -0.032 1
1 1366 . 7 1 1 A 111 111 ASP C C 111 177.159 177.343 -0.184 1
1 1367 . 7 1 1 A 111 111 ASP CA C 111 56.239 55.966 0.273 1
1 1368 . 7 1 1 A 111 111 ASP CB C 111 39.791 40.498 -0.707 1
1 1369 . 7 1 1 A 111 111 ASP N N 111 119.503 121.659 -2.156 1
1 1370 . 7 1 1 A 112 112 HIS H H 112 7.471 7.826 -0.355 1
1 1371 . 7 1 1 A 112 112 HIS HA H 112 4.481 4.507 -0.026 1
1 1376 . 7 1 1 A 112 112 HIS C C 112 177.121 174.909 2.212 1
1 1377 . 7 1 1 A 112 112 HIS CA C 112 56.692 57.744 -1.052 1
1 1378 . 7 1 1 A 112 112 HIS CB C 112 31.648 30.142 1.506 1
1 1381 . 7 1 1 A 112 112 HIS N N 112 116.681 114.300 2.381 1
1 1382 . 7 1 1 A 113 113 LEU H H 113 7.526 7.552 -0.026 1
1 1383 . 7 1 1 A 113 113 LEU HA H 113 4.148 4.492 -0.344 1
1 1393 . 7 1 1 A 113 113 LEU C C 113 177.363 177.075 0.288 1
1 1394 . 7 1 1 A 113 113 LEU CA C 113 55.509 53.719 1.790 1
1 1395 . 7 1 1 A 113 113 LEU CB C 113 42.009 43.555 -1.546 1
1 1399 . 7 1 1 A 113 113 LEU N N 113 118.976 119.141 -0.165 1
1 1400 . 7 1 1 A 114 114 ALA H H 114 7.648 9.004 -1.356 1
1 1401 . 7 1 1 A 114 114 ALA HA H 114 4.227 3.935 0.292 1
1 1405 . 7 1 1 A 114 114 ALA C C 114 177.692 177.007 0.685 1
1 1406 . 7 1 1 A 114 114 ALA CA C 114 52.828 54.938 -2.110 1
1 1407 . 7 1 1 A 114 114 ALA CB C 114 18.497 17.736 0.761 1
1 1408 . 7 1 1 A 114 114 ALA N N 114 121.893 120.397 1.496 1
1 1409 . 7 1 1 A 115 115 LEU H H 115 7.764 8.629 -0.865 1
1 1410 . 7 1 1 A 115 115 LEU HA H 115 4.146 4.284 -0.138 1
1 1420 . 7 1 1 A 115 115 LEU C C 115 177.819 175.869 1.950 1
1 1421 . 7 1 1 A 115 115 LEU CA C 115 55.771 57.016 -1.245 1
1 1422 . 7 1 1 A 115 115 LEU CB C 115 42.000 41.801 0.199 1
1 1426 . 7 1 1 A 115 115 LEU N N 115 119.576 118.901 0.675 1
1 12 . 8 1 1 A 2 2 THR HA H 2 3.833 4.175 -0.342 1
1 17 . 8 1 1 A 2 2 THR C C 2 170.665 172.677 -2.012 1
1 18 . 8 1 1 A 2 2 THR CA C 2 62.154 62.613 -0.459 1
1 19 . 8 1 1 A 2 2 THR CB C 2 69.580 68.362 1.218 1
1 21 . 8 1 1 A 3 3 LEU H H 3 9.068 8.856 0.212 1
1 22 . 8 1 1 A 3 3 LEU HA H 3 4.887 5.024 -0.137 1
1 32 . 8 1 1 A 3 3 LEU C C 3 175.859 176.580 -0.721 1
1 33 . 8 1 1 A 3 3 LEU CA C 3 54.426 53.691 0.735 1
1 34 . 8 1 1 A 3 3 LEU CB C 3 43.222 44.504 -1.282 1
1 38 . 8 1 1 A 3 3 LEU N N 3 129.030 123.516 5.514 1
1 39 . 8 1 1 A 4 4 ILE H H 4 8.897 8.744 0.153 1
1 40 . 8 1 1 A 4 4 ILE HA H 4 4.753 5.100 -0.347 1
1 50 . 8 1 1 A 4 4 ILE C C 4 174.211 173.755 0.456 1
1 51 . 8 1 1 A 4 4 ILE CA C 4 59.998 59.197 0.801 1
1 52 . 8 1 1 A 4 4 ILE CB C 4 41.129 40.661 0.468 1
1 56 . 8 1 1 A 4 4 ILE N N 4 115.702 119.682 -3.980 1
1 57 . 8 1 1 A 5 5 TYR H H 5 9.050 9.023 0.027 1
1 58 . 8 1 1 A 5 5 TYR HA H 5 5.770 5.545 0.225 1
1 65 . 8 1 1 A 5 5 TYR C C 5 175.987 174.483 1.504 1
1 66 . 8 1 1 A 5 5 TYR CA C 5 57.923 56.210 1.713 1
1 67 . 8 1 1 A 5 5 TYR CB C 5 42.963 43.273 -0.310 1
1 72 . 8 1 1 A 5 5 TYR N N 5 114.414 122.587 -8.173 1
1 73 . 8 1 1 A 6 6 LYS H H 6 8.858 8.486 0.372 1
1 74 . 8 1 1 A 6 6 LYS HA H 6 4.813 4.883 -0.070 1
1 83 . 8 1 1 A 6 6 LYS C C 6 172.801 174.477 -1.676 1
1 84 . 8 1 1 A 6 6 LYS CA C 6 52.969 54.849 -1.880 1
1 85 . 8 1 1 A 6 6 LYS CB C 6 37.109 36.183 0.926 1
1 89 . 8 1 1 A 6 6 LYS N N 6 121.597 122.168 -0.571 1
1 90 . 8 1 1 A 7 7 ILE H H 7 8.277 8.861 -0.584 1
1 91 . 8 1 1 A 7 7 ILE HA H 7 4.702 4.899 -0.197 1
1 101 . 8 1 1 A 7 7 ILE C C 7 173.742 174.874 -1.132 1
1 102 . 8 1 1 A 7 7 ILE CA C 7 60.340 60.123 0.217 1
1 103 . 8 1 1 A 7 7 ILE CB C 7 38.941 38.003 0.938 1
1 107 . 8 1 1 A 7 7 ILE N N 7 128.212 128.282 -0.070 1
1 108 . 8 1 1 A 8 8 LEU H H 8 8.627 8.778 -0.151 1
1 109 . 8 1 1 A 8 8 LEU HA H 8 4.757 5.084 -0.327 1
1 119 . 8 1 1 A 8 8 LEU C C 8 173.661 175.125 -1.464 1
1 120 . 8 1 1 A 8 8 LEU CA C 8 54.530 53.452 1.078 1
1 121 . 8 1 1 A 8 8 LEU CB C 8 43.617 45.395 -1.778 1
1 125 . 8 1 1 A 8 8 LEU N N 8 126.590 124.448 2.142 1
1 126 . 8 1 1 A 9 9 SER H H 9 8.546 8.746 -0.200 1
1 127 . 8 1 1 A 9 9 SER HA H 9 4.765 4.622 0.143 1
1 130 . 8 1 1 A 9 9 SER C C 9 175.160 175.629 -0.469 1
1 131 . 8 1 1 A 9 9 SER CA C 9 58.520 58.727 -0.207 1
1 132 . 8 1 1 A 9 9 SER CB C 9 65.227 63.649 1.578 1
1 133 . 8 1 1 A 9 9 SER N N 9 115.543 115.983 -0.440 1
1 134 . 8 1 1 A 10 10 ARG H H 10 9.080 8.986 0.094 1
1 135 . 8 1 1 A 10 10 ARG HA H 10 4.037 4.062 -0.025 1
1 143 . 8 1 1 A 10 10 ARG C C 10 177.847 177.955 -0.108 1
1 144 . 8 1 1 A 10 10 ARG CA C 10 59.210 59.576 -0.366 1
1 145 . 8 1 1 A 10 10 ARG CB C 10 28.776 29.688 -0.912 1
1 148 . 8 1 1 A 10 10 ARG N N 10 123.688 124.113 -0.425 1
1 150 . 8 1 1 A 11 11 ALA H H 11 8.753 7.849 0.904 1
1 151 . 8 1 1 A 11 11 ALA HA H 11 4.248 4.059 0.189 1
1 155 . 8 1 1 A 11 11 ALA C C 11 181.848 179.724 2.124 1
1 156 . 8 1 1 A 11 11 ALA CA C 11 55.483 55.486 -0.003 1
1 157 . 8 1 1 A 11 11 ALA CB C 11 18.209 18.358 -0.149 1
1 158 . 8 1 1 A 11 11 ALA N N 11 119.698 121.849 -2.151 1
1 159 . 8 1 1 A 12 12 GLU H H 12 7.957 8.144 -0.187 1
1 160 . 8 1 1 A 12 12 GLU HA H 12 4.183 4.149 0.034 1
1 165 . 8 1 1 A 12 12 GLU C C 12 179.576 179.350 0.226 1
1 166 . 8 1 1 A 12 12 GLU CA C 12 59.103 59.271 -0.168 1
1 167 . 8 1 1 A 12 12 GLU CB C 12 31.077 29.554 1.523 1
1 169 . 8 1 1 A 12 12 GLU N N 12 118.210 118.391 -0.181 1
1 170 . 8 1 1 A 13 13 TRP H H 13 8.585 8.144 0.441 1
1 171 . 8 1 1 A 13 13 TRP HA H 13 4.937 4.056 0.881 1
1 180 . 8 1 1 A 13 13 TRP C C 13 176.827 177.784 -0.957 1
1 181 . 8 1 1 A 13 13 TRP CA C 13 57.845 60.798 -2.953 1
1 182 . 8 1 1 A 13 13 TRP CB C 13 31.010 29.351 1.659 1
1 188 . 8 1 1 A 13 13 TRP N N 13 123.646 122.324 1.322 1
1 190 . 8 1 1 A 14 14 ASP H H 14 9.260 8.572 0.688 1
1 191 . 8 1 1 A 14 14 ASP HA H 14 4.048 4.087 -0.039 1
1 194 . 8 1 1 A 14 14 ASP C C 14 180.120 178.061 2.059 1
1 195 . 8 1 1 A 14 14 ASP CA C 14 57.767 57.543 0.224 1
1 196 . 8 1 1 A 14 14 ASP CB C 14 39.467 41.452 -1.985 1
1 197 . 8 1 1 A 14 14 ASP N N 14 120.253 119.333 0.920 1
1 198 . 8 1 1 A 15 15 ALA H H 15 7.599 8.147 -0.548 1
1 199 . 8 1 1 A 15 15 ALA HA H 15 4.163 4.053 0.110 1
1 203 . 8 1 1 A 15 15 ALA C C 15 180.115 179.801 0.314 1
1 204 . 8 1 1 A 15 15 ALA CA C 15 55.016 54.905 0.111 1
1 205 . 8 1 1 A 15 15 ALA CB C 15 17.871 18.304 -0.433 1
1 206 . 8 1 1 A 15 15 ALA N N 15 122.164 121.252 0.912 1
1 207 . 8 1 1 A 16 16 ALA H H 16 7.944 8.112 -0.168 1
1 208 . 8 1 1 A 16 16 ALA HA H 16 4.334 4.168 0.166 1
1 212 . 8 1 1 A 16 16 ALA C C 16 180.101 179.900 0.201 1
1 213 . 8 1 1 A 16 16 ALA CA C 16 54.659 55.751 -1.092 1
1 214 . 8 1 1 A 16 16 ALA CB C 16 19.107 18.457 0.650 1
1 215 . 8 1 1 A 16 16 ALA N N 16 122.526 120.689 1.837 1
1 216 . 8 1 1 A 17 17 LYS H H 17 8.317 7.823 0.494 1
1 217 . 8 1 1 A 17 17 LYS HA H 17 3.462 3.743 -0.281 1
1 226 . 8 1 1 A 17 17 LYS C C 17 179.126 178.806 0.320 1
1 227 . 8 1 1 A 17 17 LYS CA C 17 60.077 59.029 1.048 1
1 228 . 8 1 1 A 17 17 LYS CB C 17 31.431 31.792 -0.361 1
1 232 . 8 1 1 A 17 17 LYS N N 17 117.572 116.513 1.059 1
1 233 . 8 1 1 A 18 18 ALA H H 18 7.296 8.032 -0.736 1
1 234 . 8 1 1 A 18 18 ALA HA H 18 4.100 4.002 0.098 1
1 238 . 8 1 1 A 18 18 ALA C C 18 178.940 180.042 -1.102 1
1 239 . 8 1 1 A 18 18 ALA CA C 18 54.513 55.194 -0.681 1
1 240 . 8 1 1 A 18 18 ALA CB C 18 18.132 18.230 -0.098 1
1 241 . 8 1 1 A 18 18 ALA N N 18 119.644 121.828 -2.184 1
1 242 . 8 1 1 A 19 19 GLN H H 19 7.443 7.965 -0.522 1
1 243 . 8 1 1 A 19 19 GLN HA H 19 4.535 4.221 0.314 1
1 250 . 8 1 1 A 19 19 GLN C C 19 176.607 176.491 0.116 1
1 251 . 8 1 1 A 19 19 GLN CA C 19 55.755 56.105 -0.350 1
1 252 . 8 1 1 A 19 19 GLN CB C 19 30.075 28.881 1.194 1
1 255 . 8 1 1 A 19 19 GLN N N 19 113.538 115.119 -1.581 1
1 257 . 8 1 1 A 20 20 GLY H H 20 8.277 9.289 -1.012 1
1 258 . 8 1 1 A 20 20 GLY HA2 H 20 4.450 3.861 0.589 1
1 259 . 8 1 1 A 20 20 GLY HA3 H 20 3.627 3.885 -0.258 1
1 260 . 8 1 1 A 20 20 GLY C C 20 174.006 173.413 0.593 1
1 261 . 8 1 1 A 20 20 GLY CA C 20 45.567 45.611 -0.044 1
1 262 . 8 1 1 A 20 20 GLY N N 20 108.233 109.223 -0.990 1
1 263 . 8 1 1 A 21 21 ARG H H 21 7.786 7.219 0.567 1
1 264 . 8 1 1 A 21 21 ARG HA H 21 5.123 4.803 0.320 1
1 272 . 8 1 1 A 21 21 ARG C C 21 171.553 174.135 -2.582 1
1 273 . 8 1 1 A 21 21 ARG CA C 21 54.882 54.432 0.450 1
1 274 . 8 1 1 A 21 21 ARG CB C 21 32.114 33.049 -0.935 1
1 277 . 8 1 1 A 21 21 ARG N N 21 116.837 115.789 1.048 1
1 279 . 8 1 1 A 22 22 PHE H H 22 9.821 9.392 0.429 1
1 280 . 8 1 1 A 22 22 PHE HA H 22 5.185 5.153 0.032 1
1 285 . 8 1 1 A 22 22 PHE C C 22 173.825 173.918 -0.093 1
1 286 . 8 1 1 A 22 22 PHE CA C 22 54.913 56.853 -1.940 1
1 287 . 8 1 1 A 22 22 PHE CB C 22 41.568 41.709 -0.141 1
1 290 . 8 1 1 A 22 22 PHE N N 22 121.680 121.528 0.152 1
1 291 . 8 1 1 A 23 23 GLU H H 23 9.053 8.457 0.596 1
1 292 . 8 1 1 A 23 23 GLU HA H 23 3.893 4.644 -0.751 1
1 297 . 8 1 1 A 23 23 GLU C C 23 174.856 176.364 -1.508 1
1 298 . 8 1 1 A 23 23 GLU CA C 23 56.781 54.577 2.204 1
1 299 . 8 1 1 A 23 23 GLU CB C 23 29.990 30.361 -0.371 1
1 301 . 8 1 1 A 23 23 GLU N N 23 125.059 123.729 1.330 1
1 302 . 8 1 1 A 24 24 GLY HA2 H 24 4.212 3.798 0.414 1
1 303 . 8 1 1 A 24 24 GLY HA3 H 24 3.112 3.880 -0.768 1
1 304 . 8 1 1 A 24 24 GLY C C 24 173.311 173.001 0.310 1
1 305 . 8 1 1 A 24 24 GLY CA C 24 45.104 45.462 -0.358 1
1 306 . 8 1 1 A 25 25 SER H H 25 9.877 8.516 1.361 1
1 307 . 8 1 1 A 25 25 SER HA H 25 4.884 4.450 0.434 1
1 310 . 8 1 1 A 25 25 SER C C 25 173.788 175.811 -2.023 1
1 311 . 8 1 1 A 25 25 SER CA C 25 57.549 57.807 -0.258 1
1 312 . 8 1 1 A 25 25 SER CB C 25 65.383 64.441 0.942 1
1 313 . 8 1 1 A 25 25 SER N N 25 121.073 116.197 4.876 1
1 314 . 8 1 1 A 26 26 ALA H H 26 9.097 8.990 0.107 1
1 315 . 8 1 1 A 26 26 ALA HA H 26 3.964 3.889 0.075 1
1 319 . 8 1 1 A 26 26 ALA C C 26 181.102 179.744 1.358 1
1 320 . 8 1 1 A 26 26 ALA CA C 26 56.670 55.282 1.388 1
1 321 . 8 1 1 A 26 26 ALA CB C 26 17.927 18.348 -0.421 1
1 322 . 8 1 1 A 26 26 ALA N N 26 123.398 125.443 -2.045 1
1 323 . 8 1 1 A 27 27 VAL H H 27 7.928 7.959 -0.031 1
1 324 . 8 1 1 A 27 27 VAL HA H 27 3.593 3.493 0.100 1
1 332 . 8 1 1 A 27 27 VAL C C 27 176.628 177.502 -0.874 1
1 333 . 8 1 1 A 27 27 VAL CA C 27 65.257 66.559 -1.302 1
1 334 . 8 1 1 A 27 27 VAL CB C 27 31.688 31.754 -0.066 1
1 337 . 8 1 1 A 27 27 VAL N N 27 117.697 118.655 -0.958 1
1 338 . 8 1 1 A 28 28 ASP H H 28 6.927 8.398 -1.471 1
1 339 . 8 1 1 A 28 28 ASP HA H 28 4.512 4.482 0.030 1
1 342 . 8 1 1 A 28 28 ASP C C 28 178.402 178.872 -0.470 1
1 343 . 8 1 1 A 28 28 ASP CA C 28 56.586 57.159 -0.573 1
1 344 . 8 1 1 A 28 28 ASP CB C 28 41.317 40.185 1.132 1
1 345 . 8 1 1 A 28 28 ASP N N 28 121.516 120.872 0.644 1
1 346 . 8 1 1 A 29 29 LEU H H 29 8.309 8.214 0.095 1
1 347 . 8 1 1 A 29 29 LEU HA H 29 3.764 3.543 0.221 1
1 357 . 8 1 1 A 29 29 LEU C C 29 180.093 179.131 0.962 1
1 358 . 8 1 1 A 29 29 LEU CA C 29 57.091 57.608 -0.517 1
1 359 . 8 1 1 A 29 29 LEU CB C 29 41.418 40.884 0.534 1
1 363 . 8 1 1 A 29 29 LEU N N 29 118.648 119.582 -0.934 1
1 364 . 8 1 1 A 30 30 ALA H H 30 7.458 7.614 -0.156 1
1 365 . 8 1 1 A 30 30 ALA HA H 30 4.000 4.000 0.000 1
1 369 . 8 1 1 A 30 30 ALA C C 30 179.371 178.897 0.474 1
1 370 . 8 1 1 A 30 30 ALA CA C 30 54.526 55.170 -0.644 1
1 371 . 8 1 1 A 30 30 ALA CB C 30 18.102 17.955 0.147 1
1 372 . 8 1 1 A 30 30 ALA N N 30 120.814 121.715 -0.901 1
1 373 . 8 1 1 A 31 31 ASP H H 31 7.682 8.018 -0.336 1
1 374 . 8 1 1 A 31 31 ASP HA H 31 4.410 4.535 -0.125 1
1 377 . 8 1 1 A 31 31 ASP C C 31 176.610 176.177 0.433 1
1 378 . 8 1 1 A 31 31 ASP CA C 31 55.271 54.813 0.458 1
1 379 . 8 1 1 A 31 31 ASP CB C 31 40.083 41.232 -1.149 1
1 380 . 8 1 1 A 31 31 ASP N N 31 117.191 116.832 0.359 1
1 381 . 8 1 1 A 32 32 GLY H H 32 7.909 7.784 0.125 1
1 382 . 8 1 1 A 32 32 GLY HA2 H 32 4.090 3.614 0.476 1
1 383 . 8 1 1 A 32 32 GLY HA3 H 32 3.597 4.039 -0.442 1
1 384 . 8 1 1 A 32 32 GLY C C 32 173.168 174.112 -0.944 1
1 385 . 8 1 1 A 32 32 GLY CA C 32 45.112 45.119 -0.007 1
1 386 . 8 1 1 A 32 32 GLY N N 32 106.983 106.921 0.062 1
1 387 . 8 1 1 A 33 33 PHE H H 33 7.233 8.213 -0.980 1
1 388 . 8 1 1 A 33 33 PHE HA H 33 4.212 4.296 -0.084 1
1 396 . 8 1 1 A 33 33 PHE C C 33 171.389 174.623 -3.234 1
1 397 . 8 1 1 A 33 33 PHE CA C 33 55.383 59.977 -4.594 1
1 398 . 8 1 1 A 33 33 PHE CB C 33 37.177 37.612 -0.435 1
1 404 . 8 1 1 A 33 33 PHE N N 33 115.364 113.909 1.455 1
1 405 . 8 1 1 A 34 34 ILE H H 34 8.637 8.373 0.264 1
1 406 . 8 1 1 A 34 34 ILE HA H 34 3.817 3.995 -0.178 1
1 416 . 8 1 1 A 34 34 ILE C C 34 177.018 176.098 0.920 1
1 417 . 8 1 1 A 34 34 ILE CA C 34 60.724 62.538 -1.814 1
1 418 . 8 1 1 A 34 34 ILE CB C 34 39.266 36.729 2.537 1
1 422 . 8 1 1 A 34 34 ILE N N 34 114.086 122.484 -8.398 1
1 423 . 8 1 1 A 35 35 HIS H H 35 9.203 7.950 1.253 1
1 424 . 8 1 1 A 35 35 HIS HA H 35 4.448 4.884 -0.436 1
1 428 . 8 1 1 A 35 35 HIS C C 35 175.740 175.108 0.632 1
1 429 . 8 1 1 A 35 35 HIS CA C 35 57.757 55.388 2.369 1
1 430 . 8 1 1 A 35 35 HIS CB C 35 29.758 30.183 -0.425 1
1 432 . 8 1 1 A 35 35 HIS N N 35 127.988 126.684 1.304 1
1 433 . 8 1 1 A 36 36 LEU H H 36 8.454 8.995 -0.541 1
1 434 . 8 1 1 A 36 36 LEU HA H 36 5.190 4.802 0.388 1
1 444 . 8 1 1 A 36 36 LEU C C 36 174.813 175.554 -0.741 1
1 445 . 8 1 1 A 36 36 LEU CA C 36 56.019 53.610 2.409 1
1 446 . 8 1 1 A 36 36 LEU CB C 36 44.541 42.656 1.885 1
1 450 . 8 1 1 A 36 36 LEU N N 36 126.075 126.654 -0.579 1
1 451 . 8 1 1 A 37 37 SER H H 37 9.128 8.867 0.261 1
1 452 . 8 1 1 A 37 37 SER HA H 37 5.277 5.280 -0.003 1
1 455 . 8 1 1 A 37 37 SER C C 37 174.433 173.459 0.974 1
1 456 . 8 1 1 A 37 37 SER CA C 37 57.990 56.961 1.029 1
1 457 . 8 1 1 A 37 37 SER CB C 37 66.778 66.594 0.184 1
1 458 . 8 1 1 A 37 37 SER N N 37 112.795 112.383 0.412 1
1 459 . 8 1 1 A 38 38 ALA H H 38 9.665 8.691 0.974 1
1 460 . 8 1 1 A 38 38 ALA HA H 38 4.973 4.991 -0.018 1
1 464 . 8 1 1 A 38 38 ALA C C 38 179.640 178.174 1.466 1
1 465 . 8 1 1 A 38 38 ALA CA C 38 52.303 51.419 0.884 1
1 466 . 8 1 1 A 38 38 ALA CB C 38 19.350 20.224 -0.874 1
1 467 . 8 1 1 A 38 38 ALA N N 38 127.103 124.380 2.723 1
1 468 . 8 1 1 A 39 39 GLY H H 39 10.159 8.861 1.298 1
1 469 . 8 1 1 A 39 39 GLY HA2 H 39 4.249 3.339 0.910 1
1 470 . 8 1 1 A 39 39 GLY HA3 H 39 3.720 3.685 0.035 1
1 471 . 8 1 1 A 39 39 GLY C C 39 176.229 175.815 0.414 1
1 472 . 8 1 1 A 39 39 GLY CA C 39 49.163 47.099 2.064 1
1 473 . 8 1 1 A 39 39 GLY N N 39 112.007 106.360 5.647 1
1 474 . 8 1 1 A 40 40 GLU H H 40 9.367 8.361 1.006 1
1 475 . 8 1 1 A 40 40 GLU HA H 40 4.234 3.992 0.242 1
1 480 . 8 1 1 A 40 40 GLU C C 40 176.417 178.769 -2.352 1
1 481 . 8 1 1 A 40 40 GLU CA C 40 58.622 59.183 -0.561 1
1 482 . 8 1 1 A 40 40 GLU CB C 40 28.796 29.425 -0.629 1
1 484 . 8 1 1 A 40 40 GLU N N 40 117.243 121.757 -4.514 1
1 485 . 8 1 1 A 41 41 GLN H H 41 7.503 8.090 -0.587 1
1 486 . 8 1 1 A 41 41 GLN HA H 41 4.752 4.128 0.624 1
1 493 . 8 1 1 A 41 41 GLN C C 41 177.730 177.947 -0.217 1
1 494 . 8 1 1 A 41 41 GLN CA C 41 55.626 58.824 -3.198 1
1 495 . 8 1 1 A 41 41 GLN CB C 41 30.653 28.637 2.016 1
1 498 . 8 1 1 A 41 41 GLN N N 41 115.837 119.358 -3.521 1
1 500 . 8 1 1 A 42 42 ALA H H 42 7.519 8.306 -0.787 1
1 501 . 8 1 1 A 42 42 ALA HA H 42 3.927 4.066 -0.139 1
1 505 . 8 1 1 A 42 42 ALA C C 42 177.826 178.946 -1.120 1
1 506 . 8 1 1 A 42 42 ALA CA C 42 56.706 55.367 1.339 1
1 507 . 8 1 1 A 42 42 ALA CB C 42 18.247 18.090 0.157 1
1 508 . 8 1 1 A 42 42 ALA N N 42 123.105 122.029 1.076 1
1 509 . 8 1 1 A 43 43 GLN H H 43 9.203 7.592 1.611 1
1 510 . 8 1 1 A 43 43 GLN HA H 43 3.942 3.975 -0.033 1
1 517 . 8 1 1 A 43 43 GLN C C 43 177.913 178.290 -0.377 1
1 518 . 8 1 1 A 43 43 GLN CA C 43 58.678 58.988 -0.310 1
1 519 . 8 1 1 A 43 43 GLN CB C 43 28.815 28.134 0.681 1
1 522 . 8 1 1 A 43 43 GLN N N 43 118.650 117.754 0.896 1
1 524 . 8 1 1 A 44 44 GLU H H 44 8.611 8.447 0.164 1
1 525 . 8 1 1 A 44 44 GLU HA H 44 4.207 4.084 0.123 1
1 530 . 8 1 1 A 44 44 GLU C C 44 179.090 179.414 -0.324 1
1 531 . 8 1 1 A 44 44 GLU CA C 44 59.246 59.257 -0.011 1
1 532 . 8 1 1 A 44 44 GLU CB C 44 28.850 29.769 -0.919 1
1 534 . 8 1 1 A 44 44 GLU N N 44 122.042 119.334 2.708 1
1 535 . 8 1 1 A 45 45 THR H H 45 8.292 8.489 -0.197 1
1 536 . 8 1 1 A 45 45 THR HA H 45 4.123 4.181 -0.058 1
1 541 . 8 1 1 A 45 45 THR C C 45 176.228 176.655 -0.427 1
1 542 . 8 1 1 A 45 45 THR CA C 45 66.902 66.338 0.564 1
1 543 . 8 1 1 A 45 45 THR CB C 45 68.949 68.636 0.313 1
1 545 . 8 1 1 A 45 45 THR N N 45 117.583 116.351 1.232 1
1 546 . 8 1 1 A 46 46 ALA H H 46 8.275 8.746 -0.471 1
1 547 . 8 1 1 A 46 46 ALA HA H 46 4.255 4.385 -0.130 1
1 551 . 8 1 1 A 46 46 ALA C C 46 178.630 180.153 -1.523 1
1 552 . 8 1 1 A 46 46 ALA CA C 46 55.406 55.769 -0.363 1
1 553 . 8 1 1 A 46 46 ALA CB C 46 18.482 18.059 0.423 1
1 554 . 8 1 1 A 46 46 ALA N N 46 123.184 123.573 -0.389 1
1 555 . 8 1 1 A 47 47 ALA H H 47 8.066 8.063 0.003 1
1 556 . 8 1 1 A 47 47 ALA HA H 47 3.953 4.071 -0.118 1
1 560 . 8 1 1 A 47 47 ALA C C 47 178.552 179.391 -0.839 1
1 561 . 8 1 1 A 47 47 ALA CA C 47 55.030 54.934 0.096 1
1 562 . 8 1 1 A 47 47 ALA CB C 47 18.899 18.520 0.379 1
1 563 . 8 1 1 A 47 47 ALA N N 47 117.129 120.421 -3.292 1
1 564 . 8 1 1 A 48 48 LYS H H 48 8.089 7.625 0.464 1
1 565 . 8 1 1 A 48 48 LYS HA H 48 3.936 4.039 -0.103 1
1 574 . 8 1 1 A 48 48 LYS C C 48 179.130 177.971 1.159 1
1 575 . 8 1 1 A 48 48 LYS CA C 48 58.560 58.099 0.461 1
1 576 . 8 1 1 A 48 48 LYS CB C 48 33.122 33.288 -0.166 1
1 580 . 8 1 1 A 48 48 LYS N N 48 115.322 116.294 -0.972 1
1 581 . 8 1 1 A 49 49 TRP H H 49 7.978 8.139 -0.161 1
1 582 . 8 1 1 A 49 49 TRP HA H 49 4.807 4.594 0.213 1
1 591 . 8 1 1 A 49 49 TRP C C 49 176.923 177.485 -0.562 1
1 592 . 8 1 1 A 49 49 TRP CA C 49 57.157 58.735 -1.578 1
1 593 . 8 1 1 A 49 49 TRP CB C 49 31.461 30.567 0.894 1
1 599 . 8 1 1 A 49 49 TRP N N 49 114.492 116.849 -2.357 1
1 601 . 8 1 1 A 50 50 PHE H H 50 7.740 7.637 0.103 1
1 602 . 8 1 1 A 50 50 PHE HA H 50 4.925 4.532 0.393 1
1 608 . 8 1 1 A 50 50 PHE C C 50 174.160 175.691 -1.531 1
1 609 . 8 1 1 A 50 50 PHE CA C 50 57.772 59.524 -1.752 1
1 610 . 8 1 1 A 50 50 PHE CB C 50 39.610 38.752 0.858 1
1 614 . 8 1 1 A 50 50 PHE N N 50 116.540 116.452 0.088 1
1 615 . 8 1 1 A 51 51 ARG H H 51 7.389 7.298 0.091 1
1 616 . 8 1 1 A 51 51 ARG HA H 51 4.198 4.343 -0.145 1
1 624 . 8 1 1 A 51 51 ARG C C 51 179.130 176.704 2.426 1
1 625 . 8 1 1 A 51 51 ARG CA C 51 58.224 56.574 1.650 1
1 626 . 8 1 1 A 51 51 ARG CB C 51 30.032 30.173 -0.141 1
1 629 . 8 1 1 A 51 51 ARG N N 51 119.136 118.200 0.936 1
1 631 . 8 1 1 A 52 52 GLY H H 52 10.264 9.032 1.232 1
1 632 . 8 1 1 A 52 52 GLY HA2 H 52 4.180 3.989 0.191 1
1 633 . 8 1 1 A 52 52 GLY HA3 H 52 3.745 3.991 -0.246 1
1 634 . 8 1 1 A 52 52 GLY C C 52 173.980 174.133 -0.153 1
1 635 . 8 1 1 A 52 52 GLY CA C 52 45.517 45.008 0.509 1
1 636 . 8 1 1 A 52 52 GLY N N 52 114.192 111.539 2.653 1
1 637 . 8 1 1 A 53 53 GLN H H 53 7.597 7.656 -0.059 1
1 638 . 8 1 1 A 53 53 GLN HA H 53 4.437 4.444 -0.007 1
1 645 . 8 1 1 A 53 53 GLN C C 53 172.934 176.034 -3.100 1
1 646 . 8 1 1 A 53 53 GLN CA C 53 56.280 54.730 1.550 1
1 647 . 8 1 1 A 53 53 GLN CB C 53 29.123 28.472 0.651 1
1 650 . 8 1 1 A 53 53 GLN N N 53 120.438 120.085 0.353 1
1 652 . 8 1 1 A 54 54 ALA H H 54 8.190 8.676 -0.486 1
1 653 . 8 1 1 A 54 54 ALA HA H 54 4.344 4.475 -0.131 1
1 657 . 8 1 1 A 54 54 ALA C C 54 177.278 177.498 -0.220 1
1 658 . 8 1 1 A 54 54 ALA CA C 54 51.377 51.746 -0.369 1
1 659 . 8 1 1 A 54 54 ALA CB C 54 20.525 20.266 0.259 1
1 660 . 8 1 1 A 54 54 ALA N N 54 124.528 128.497 -3.969 1
1 661 . 8 1 1 A 55 55 ASN H H 55 8.903 8.795 0.108 1
1 662 . 8 1 1 A 55 55 ASN HA H 55 4.598 4.258 0.340 1
1 667 . 8 1 1 A 55 55 ASN C C 55 174.075 174.237 -0.162 1
1 668 . 8 1 1 A 55 55 ASN CA C 55 53.986 54.064 -0.078 1
1 669 . 8 1 1 A 55 55 ASN CB C 55 37.654 36.940 0.714 1
1 671 . 8 1 1 A 55 55 ASN N N 55 113.776 114.898 -1.122 1
1 673 . 8 1 1 A 56 56 LEU H H 56 8.543 7.617 0.926 1
1 674 . 8 1 1 A 56 56 LEU HA H 56 4.677 4.938 -0.261 1
1 684 . 8 1 1 A 56 56 LEU C C 56 176.806 175.375 1.431 1
1 685 . 8 1 1 A 56 56 LEU CA C 56 54.383 53.386 0.997 1
1 686 . 8 1 1 A 56 56 LEU CB C 56 45.328 44.387 0.941 1
1 690 . 8 1 1 A 56 56 LEU N N 56 117.411 119.224 -1.813 1
1 691 . 8 1 1 A 57 57 VAL H H 57 9.207 8.853 0.354 1
1 692 . 8 1 1 A 57 57 VAL HA H 57 4.633 4.780 -0.147 1
1 700 . 8 1 1 A 57 57 VAL C C 57 172.465 173.751 -1.286 1
1 701 . 8 1 1 A 57 57 VAL CA C 57 59.970 60.348 -0.378 1
1 702 . 8 1 1 A 57 57 VAL CB C 57 35.376 35.335 0.041 1
1 705 . 8 1 1 A 57 57 VAL N N 57 121.448 121.955 -0.507 1
1 706 . 8 1 1 A 58 58 LEU H H 58 8.855 9.025 -0.170 1
1 707 . 8 1 1 A 58 58 LEU HA H 58 4.763 5.058 -0.295 1
1 717 . 8 1 1 A 58 58 LEU C C 58 175.349 174.657 0.692 1
1 718 . 8 1 1 A 58 58 LEU CA C 58 52.286 53.229 -0.943 1
1 719 . 8 1 1 A 58 58 LEU CB C 58 46.390 44.544 1.846 1
1 723 . 8 1 1 A 58 58 LEU N N 58 124.476 129.519 -5.043 1
1 724 . 8 1 1 A 59 59 LEU H H 59 9.265 9.161 0.104 1
1 725 . 8 1 1 A 59 59 LEU HA H 59 4.714 4.345 0.369 1
1 735 . 8 1 1 A 59 59 LEU C C 59 175.262 175.550 -0.288 1
1 736 . 8 1 1 A 59 59 LEU CA C 59 52.753 54.183 -1.430 1
1 737 . 8 1 1 A 59 59 LEU CB C 59 42.431 40.998 1.433 1
1 741 . 8 1 1 A 59 59 LEU N N 59 125.973 128.574 -2.601 1
1 742 . 8 1 1 A 60 60 ALA H H 60 8.331 9.023 -0.692 1
1 743 . 8 1 1 A 60 60 ALA HA H 60 4.739 4.975 -0.236 1
1 747 . 8 1 1 A 60 60 ALA C C 60 175.631 176.129 -0.498 1
1 748 . 8 1 1 A 60 60 ALA CA C 60 50.320 50.178 0.142 1
1 749 . 8 1 1 A 60 60 ALA CB C 60 21.744 20.688 1.056 1
1 750 . 8 1 1 A 60 60 ALA N N 60 124.617 128.380 -3.763 1
1 751 . 8 1 1 A 61 61 VAL H H 61 8.944 8.651 0.293 1
1 752 . 8 1 1 A 61 61 VAL HA H 61 4.244 4.540 -0.296 1
1 760 . 8 1 1 A 61 61 VAL C C 61 174.674 174.846 -0.172 1
1 761 . 8 1 1 A 61 61 VAL CA C 61 60.770 60.658 0.112 1
1 762 . 8 1 1 A 61 61 VAL CB C 61 36.636 35.058 1.578 1
1 765 . 8 1 1 A 61 61 VAL N N 61 124.079 123.283 0.796 1
1 766 . 8 1 1 A 62 62 GLU H H 62 8.490 8.771 -0.281 1
1 767 . 8 1 1 A 62 62 GLU HA H 62 4.551 4.540 0.011 1
1 772 . 8 1 1 A 62 62 GLU C C 62 177.700 176.129 1.571 1
1 773 . 8 1 1 A 62 62 GLU CA C 62 56.879 56.370 0.509 1
1 774 . 8 1 1 A 62 62 GLU CB C 62 29.372 30.138 -0.766 1
1 776 . 8 1 1 A 62 62 GLU N N 62 127.752 128.125 -0.373 1
1 777 . 8 1 1 A 63 63 ALA H H 63 9.173 8.590 0.583 1
1 778 . 8 1 1 A 63 63 ALA HA H 63 3.991 4.490 -0.499 1
1 782 . 8 1 1 A 63 63 ALA C C 63 180.311 177.938 2.373 1
1 783 . 8 1 1 A 63 63 ALA CA C 63 54.850 51.866 2.984 1
1 784 . 8 1 1 A 63 63 ALA CB C 63 19.495 17.674 1.821 1
1 785 . 8 1 1 A 63 63 ALA N N 63 127.466 130.240 -2.774 1
1 786 . 8 1 1 A 64 64 GLU H H 64 9.571 8.322 1.249 1
1 787 . 8 1 1 A 64 64 GLU HA H 64 4.146 4.206 -0.060 1
1 792 . 8 1 1 A 64 64 GLU C C 64 177.102 176.275 0.827 1
1 793 . 8 1 1 A 64 64 GLU CA C 64 63.532 60.551 2.981 1
1 794 . 8 1 1 A 64 64 GLU CB C 64 25.742 29.916 -4.174 1
1 796 . 8 1 1 A 64 64 GLU N N 64 120.368 121.444 -1.076 1
1 797 . 8 1 1 A 65 65 PRO HA H 65 4.440 4.397 0.043 1
1 804 . 8 1 1 A 65 65 PRO C C 65 177.332 177.573 -0.241 1
1 805 . 8 1 1 A 65 65 PRO CA C 65 64.973 65.485 -0.512 1
1 806 . 8 1 1 A 65 65 PRO CB C 65 31.341 31.015 0.326 1
1 809 . 8 1 1 A 66 66 LEU H H 66 7.412 8.208 -0.796 1
1 810 . 8 1 1 A 66 66 LEU HA H 66 4.023 4.641 -0.618 1
1 820 . 8 1 1 A 66 66 LEU C C 66 178.533 177.918 0.615 1
1 821 . 8 1 1 A 66 66 LEU CA C 66 55.861 54.175 1.686 1
1 822 . 8 1 1 A 66 66 LEU CB C 66 41.349 41.631 -0.282 1
1 826 . 8 1 1 A 66 66 LEU N N 66 114.991 114.852 0.139 1
1 827 . 8 1 1 A 67 67 GLY H H 67 7.733 8.400 -0.667 1
1 828 . 8 1 1 A 67 67 GLY HA2 H 67 4.018 3.980 0.038 1
1 829 . 8 1 1 A 67 67 GLY HA3 H 67 3.909 4.003 -0.094 1
1 830 . 8 1 1 A 67 67 GLY C C 67 175.925 174.851 1.074 1
1 831 . 8 1 1 A 67 67 GLY CA C 67 46.054 46.686 -0.632 1
1 832 . 8 1 1 A 67 67 GLY N N 67 104.242 110.017 -5.775 1
1 833 . 8 1 1 A 68 68 GLU H H 68 8.887 7.775 1.112 1
1 834 . 8 1 1 A 68 68 GLU HA H 68 4.219 4.610 -0.391 1
1 839 . 8 1 1 A 68 68 GLU C C 68 176.314 177.293 -0.979 1
1 840 . 8 1 1 A 68 68 GLU CA C 68 57.652 55.960 1.692 1
1 841 . 8 1 1 A 68 68 GLU CB C 68 29.306 30.158 -0.852 1
1 843 . 8 1 1 A 68 68 GLU N N 68 121.253 120.067 1.186 1
1 844 . 8 1 1 A 69 69 ASP H H 69 7.630 8.239 -0.609 1
1 845 . 8 1 1 A 69 69 ASP HA H 69 4.587 4.706 -0.119 1
1 848 . 8 1 1 A 69 69 ASP C C 69 174.665 175.757 -1.092 1
1 849 . 8 1 1 A 69 69 ASP CA C 69 56.078 55.187 0.891 1
1 850 . 8 1 1 A 69 69 ASP CB C 69 41.572 41.208 0.364 1
1 851 . 8 1 1 A 69 69 ASP N N 69 116.486 119.515 -3.029 1
1 852 . 8 1 1 A 70 70 LEU H H 70 7.433 7.512 -0.079 1
1 853 . 8 1 1 A 70 70 LEU HA H 70 4.854 5.215 -0.361 1
1 863 . 8 1 1 A 70 70 LEU C C 70 174.259 174.941 -0.682 1
1 864 . 8 1 1 A 70 70 LEU CA C 70 53.281 52.813 0.468 1
1 865 . 8 1 1 A 70 70 LEU CB C 70 43.024 46.282 -3.258 1
1 869 . 8 1 1 A 70 70 LEU N N 70 121.585 115.736 5.849 1
1 870 . 8 1 1 A 71 71 LYS H H 71 9.114 8.768 0.346 1
1 871 . 8 1 1 A 71 71 LYS HA H 71 4.724 5.188 -0.464 1
1 880 . 8 1 1 A 71 71 LYS C C 71 175.146 175.061 0.085 1
1 881 . 8 1 1 A 71 71 LYS CA C 71 54.024 54.646 -0.622 1
1 882 . 8 1 1 A 71 71 LYS CB C 71 35.469 35.827 -0.358 1
1 886 . 8 1 1 A 71 71 LYS N N 71 126.179 119.126 7.053 1
1 887 . 8 1 1 A 72 72 TRP H H 72 8.981 9.085 -0.104 1
1 888 . 8 1 1 A 72 72 TRP HA H 72 4.720 4.818 -0.098 1
1 897 . 8 1 1 A 72 72 TRP C C 72 176.394 175.677 0.717 1
1 898 . 8 1 1 A 72 72 TRP CA C 72 55.876 56.359 -0.483 1
1 899 . 8 1 1 A 72 72 TRP CB C 72 27.789 27.816 -0.027 1
1 905 . 8 1 1 A 72 72 TRP N N 72 125.904 128.604 -2.700 1
1 907 . 8 1 1 A 73 73 GLU H H 73 8.558 8.911 -0.353 1
1 908 . 8 1 1 A 73 73 GLU HA H 73 4.762 4.786 -0.024 1
1 913 . 8 1 1 A 73 73 GLU C C 73 175.459 175.498 -0.039 1
1 914 . 8 1 1 A 73 73 GLU CA C 73 55.208 56.245 -1.037 1
1 915 . 8 1 1 A 73 73 GLU CB C 73 32.615 29.775 2.840 1
1 917 . 8 1 1 A 73 73 GLU N N 73 123.290 124.806 -1.516 1
1 918 . 8 1 1 A 74 74 ALA H H 74 8.962 8.508 0.454 1
1 919 . 8 1 1 A 74 74 ALA HA H 74 4.738 5.002 -0.264 1
1 923 . 8 1 1 A 74 74 ALA C C 74 177.803 177.426 0.377 1
1 924 . 8 1 1 A 74 74 ALA CA C 74 52.246 51.793 0.453 1
1 925 . 8 1 1 A 74 74 ALA CB C 74 20.070 17.359 2.711 1
1 926 . 8 1 1 A 74 74 ALA N N 74 127.315 131.754 -4.439 1
1 927 . 8 1 1 A 75 75 SER H H 75 8.762 7.979 0.783 1
1 928 . 8 1 1 A 75 75 SER HA H 75 4.850 4.705 0.145 1
1 931 . 8 1 1 A 75 75 SER C C 75 176.080 173.991 2.089 1
1 932 . 8 1 1 A 75 75 SER CA C 75 56.954 58.713 -1.759 1
1 933 . 8 1 1 A 75 75 SER CB C 75 65.244 64.266 0.978 1
1 934 . 8 1 1 A 75 75 SER N N 75 117.745 113.704 4.041 1
1 935 . 8 1 1 A 76 76 ARG HA H 76 4.193 4.085 0.108 1
1 943 . 8 1 1 A 76 76 ARG CA C 76 58.895 57.817 1.078 1
1 944 . 8 1 1 A 76 76 ARG CB C 76 29.877 29.910 -0.033 1
1 947 . 8 1 1 A 77 77 GLY C C 77 175.277 175.499 -0.222 1
1 948 . 8 1 1 A 78 78 GLY H H 78 8.045 8.422 -0.377 1
1 949 . 8 1 1 A 78 78 GLY HA2 H 78 4.390 3.986 0.404 1
1 950 . 8 1 1 A 78 78 GLY HA3 H 78 3.786 3.994 -0.208 1
1 951 . 8 1 1 A 78 78 GLY C C 78 173.503 174.125 -0.622 1
1 952 . 8 1 1 A 78 78 GLY CA C 78 45.296 45.451 -0.155 1
1 953 . 8 1 1 A 78 78 GLY N N 78 110.323 109.334 0.989 1
1 954 . 8 1 1 A 79 79 ALA H H 79 7.879 7.970 -0.091 1
1 955 . 8 1 1 A 79 79 ALA HA H 79 4.357 4.359 -0.002 1
1 959 . 8 1 1 A 79 79 ALA C C 79 176.674 176.454 0.220 1
1 960 . 8 1 1 A 79 79 ALA CA C 79 52.151 51.713 0.438 1
1 961 . 8 1 1 A 79 79 ALA CB C 79 20.171 20.172 -0.001 1
1 962 . 8 1 1 A 79 79 ALA N N 79 123.865 124.247 -0.382 1
1 963 . 8 1 1 A 80 80 ARG H H 80 8.375 8.325 0.050 1
1 964 . 8 1 1 A 80 80 ARG HA H 80 4.629 4.591 0.038 1
1 972 . 8 1 1 A 80 80 ARG C C 80 175.713 175.231 0.482 1
1 973 . 8 1 1 A 80 80 ARG CA C 80 55.622 55.497 0.125 1
1 974 . 8 1 1 A 80 80 ARG CB C 80 32.074 30.919 1.155 1
1 977 . 8 1 1 A 80 80 ARG N N 80 119.145 119.732 -0.587 1
1 979 . 8 1 1 A 81 81 PHE H H 81 8.722 8.435 0.287 1
1 980 . 8 1 1 A 81 81 PHE HA H 81 5.156 4.947 0.209 1
1 988 . 8 1 1 A 81 81 PHE C C 81 172.806 173.707 -0.901 1
1 989 . 8 1 1 A 81 81 PHE CA C 81 54.950 54.828 0.122 1
1 990 . 8 1 1 A 81 81 PHE CB C 81 42.240 39.540 2.700 1
1 996 . 8 1 1 A 81 81 PHE N N 81 123.774 123.003 0.771 1
1 997 . 8 1 1 A 82 82 PRO HA H 82 3.635 4.255 -0.620 1
1 1004 . 8 1 1 A 82 82 PRO C C 82 174.511 175.608 -1.097 1
1 1005 . 8 1 1 A 82 82 PRO CA C 82 61.347 62.277 -0.930 1
1 1006 . 8 1 1 A 82 82 PRO CB C 82 29.495 31.069 -1.574 1
1 1009 . 8 1 1 A 83 83 HIS H H 83 8.831 8.810 0.021 1
1 1010 . 8 1 1 A 83 83 HIS HA H 83 5.330 4.894 0.436 1
1 1014 . 8 1 1 A 83 83 HIS C C 83 172.952 173.709 -0.757 1
1 1015 . 8 1 1 A 83 83 HIS CA C 83 50.700 54.913 -4.213 1
1 1016 . 8 1 1 A 83 83 HIS CB C 83 33.238 31.512 1.726 1
1 1018 . 8 1 1 A 83 83 HIS N N 83 124.483 123.508 0.975 1
1 1019 . 8 1 1 A 84 84 LEU H H 84 9.063 8.943 0.120 1
1 1020 . 8 1 1 A 84 84 LEU HA H 84 5.163 4.433 0.730 1
1 1030 . 8 1 1 A 84 84 LEU C C 84 176.699 176.451 0.248 1
1 1031 . 8 1 1 A 84 84 LEU CA C 84 53.829 53.726 0.103 1
1 1032 . 8 1 1 A 84 84 LEU CB C 84 45.366 41.966 3.400 1
1 1036 . 8 1 1 A 84 84 LEU N N 84 125.218 126.108 -0.890 1
1 1037 . 8 1 1 A 85 85 TYR H H 85 9.058 8.659 0.399 1
1 1038 . 8 1 1 A 85 85 TYR HA H 85 4.508 4.377 0.131 1
1 1045 . 8 1 1 A 85 85 TYR C C 85 173.624 174.993 -1.369 1
1 1046 . 8 1 1 A 85 85 TYR CA C 85 60.034 57.867 2.167 1
1 1047 . 8 1 1 A 85 85 TYR CB C 85 36.073 38.276 -2.203 1
1 1052 . 8 1 1 A 85 85 TYR N N 85 131.339 125.969 5.370 1
1 1053 . 8 1 1 A 86 86 ARG H H 86 7.432 7.501 -0.069 1
1 1054 . 8 1 1 A 86 86 ARG HA H 86 4.682 4.904 -0.222 1
1 1062 . 8 1 1 A 86 86 ARG C C 86 171.917 173.503 -1.586 1
1 1063 . 8 1 1 A 86 86 ARG CA C 86 54.953 52.890 2.063 1
1 1064 . 8 1 1 A 86 86 ARG CB C 86 28.209 31.722 -3.513 1
1 1067 . 8 1 1 A 86 86 ARG N N 86 114.399 119.802 -5.403 1
1 1069 . 8 1 1 A 87 87 PRO HA H 87 4.303 4.550 -0.247 1
1 1076 . 8 1 1 A 87 87 PRO C C 87 175.771 175.942 -0.171 1
1 1077 . 8 1 1 A 87 87 PRO CA C 87 63.497 62.862 0.635 1
1 1078 . 8 1 1 A 87 87 PRO CB C 87 32.253 32.304 -0.051 1
1 1081 . 8 1 1 A 88 88 LEU H H 88 8.095 8.131 -0.036 1
1 1082 . 8 1 1 A 88 88 LEU HA H 88 4.286 4.786 -0.500 1
1 1092 . 8 1 1 A 88 88 LEU C C 88 175.946 175.455 0.491 1
1 1093 . 8 1 1 A 88 88 LEU CA C 88 53.675 53.974 -0.299 1
1 1094 . 8 1 1 A 88 88 LEU CB C 88 45.548 43.547 2.001 1
1 1098 . 8 1 1 A 88 88 LEU N N 88 125.942 123.121 2.821 1
1 1099 . 8 1 1 A 89 89 LEU H H 89 9.224 8.615 0.609 1
1 1100 . 8 1 1 A 89 89 LEU HA H 89 4.561 4.396 0.165 1
1 1110 . 8 1 1 A 89 89 LEU C C 89 179.295 179.037 0.258 1
1 1111 . 8 1 1 A 89 89 LEU CA C 89 55.212 55.155 0.057 1
1 1112 . 8 1 1 A 89 89 LEU CB C 89 41.460 42.119 -0.659 1
1 1116 . 8 1 1 A 89 89 LEU N N 89 128.295 128.795 -0.500 1
1 1117 . 8 1 1 A 90 90 VAL H H 90 7.665 8.580 -0.915 1
1 1118 . 8 1 1 A 90 90 VAL HA H 90 3.785 3.840 -0.055 1
1 1126 . 8 1 1 A 90 90 VAL C C 90 178.510 177.657 0.853 1
1 1127 . 8 1 1 A 90 90 VAL CA C 90 66.833 65.625 1.208 1
1 1128 . 8 1 1 A 90 90 VAL CB C 90 31.330 31.316 0.014 1
1 1131 . 8 1 1 A 90 90 VAL N N 90 122.696 125.889 -3.193 1
1 1132 . 8 1 1 A 91 91 SER H H 91 8.134 8.162 -0.028 1
1 1133 . 8 1 1 A 91 91 SER HA H 91 4.280 4.273 0.007 1
1 1136 . 8 1 1 A 91 91 SER C C 91 175.328 176.096 -0.768 1
1 1137 . 8 1 1 A 91 91 SER CA C 91 59.822 60.289 -0.467 1
1 1138 . 8 1 1 A 91 91 SER CB C 91 62.512 62.859 -0.347 1
1 1139 . 8 1 1 A 91 91 SER N N 91 112.443 113.119 -0.676 1
1 1140 . 8 1 1 A 92 92 GLU H H 92 7.598 8.159 -0.561 1
1 1141 . 8 1 1 A 92 92 GLU HA H 92 4.221 4.195 0.026 1
1 1146 . 8 1 1 A 92 92 GLU C C 92 175.722 176.970 -1.248 1
1 1147 . 8 1 1 A 92 92 GLU CA C 92 56.594 58.482 -1.888 1
1 1148 . 8 1 1 A 92 92 GLU CB C 92 29.511 29.632 -0.121 1
1 1150 . 8 1 1 A 92 92 GLU N N 92 120.359 120.625 -0.266 1
1 1151 . 8 1 1 A 93 93 VAL H H 93 7.486 7.378 0.108 1
1 1152 . 8 1 1 A 93 93 VAL HA H 93 4.046 4.021 0.025 1
1 1160 . 8 1 1 A 93 93 VAL C C 93 176.093 175.911 0.182 1
1 1161 . 8 1 1 A 93 93 VAL CA C 93 63.242 63.544 -0.302 1
1 1162 . 8 1 1 A 93 93 VAL CB C 93 32.306 31.829 0.477 1
1 1165 . 8 1 1 A 93 93 VAL N N 93 121.222 120.594 0.628 1
1 1166 . 8 1 1 A 94 94 THR H H 94 9.003 8.798 0.205 1
1 1167 . 8 1 1 A 94 94 THR HA H 94 4.264 4.026 0.238 1
1 1172 . 8 1 1 A 94 94 THR C C 94 174.664 174.517 0.147 1
1 1173 . 8 1 1 A 94 94 THR CA C 94 64.438 65.331 -0.893 1
1 1174 . 8 1 1 A 94 94 THR CB C 94 69.317 68.993 0.324 1
1 1176 . 8 1 1 A 94 94 THR N N 94 124.794 123.121 1.673 1
1 1177 . 8 1 1 A 95 95 ARG H H 95 7.514 7.770 -0.256 1
1 1178 . 8 1 1 A 95 95 ARG HA H 95 4.646 4.781 -0.135 1
1 1186 . 8 1 1 A 95 95 ARG C C 95 172.989 173.944 -0.955 1
1 1187 . 8 1 1 A 95 95 ARG CA C 95 55.872 55.090 0.782 1
1 1188 . 8 1 1 A 95 95 ARG CB C 95 33.789 33.786 0.003 1
1 1191 . 8 1 1 A 95 95 ARG N N 95 118.660 118.110 0.550 1
1 1193 . 8 1 1 A 96 96 GLU H H 96 8.545 8.839 -0.294 1
1 1194 . 8 1 1 A 96 96 GLU HA H 96 5.329 4.945 0.384 1
1 1199 . 8 1 1 A 96 96 GLU C C 96 174.480 174.498 -0.018 1
1 1200 . 8 1 1 A 96 96 GLU CA C 96 53.415 54.851 -1.436 1
1 1201 . 8 1 1 A 96 96 GLU CB C 96 33.592 31.089 2.503 1
1 1203 . 8 1 1 A 96 96 GLU N N 96 121.828 123.677 -1.849 1
1 1204 . 8 1 1 A 97 97 ALA H H 97 8.276 8.808 -0.532 1
1 1205 . 8 1 1 A 97 97 ALA HA H 97 4.537 4.655 -0.118 1
1 1209 . 8 1 1 A 97 97 ALA C C 97 175.233 176.111 -0.878 1
1 1210 . 8 1 1 A 97 97 ALA CA C 97 51.368 51.211 0.157 1
1 1211 . 8 1 1 A 97 97 ALA CB C 97 22.101 19.566 2.535 1
1 1212 . 8 1 1 A 97 97 ALA N N 97 123.211 128.935 -5.724 1
1 1213 . 8 1 1 A 98 98 ASP H H 98 8.399 8.760 -0.361 1
1 1214 . 8 1 1 A 98 98 ASP HA H 98 4.850 4.748 0.102 1
1 1217 . 8 1 1 A 98 98 ASP C C 98 176.085 175.493 0.592 1
1 1218 . 8 1 1 A 98 98 ASP CA C 98 54.824 54.334 0.490 1
1 1219 . 8 1 1 A 98 98 ASP CB C 98 41.694 41.280 0.414 1
1 1220 . 8 1 1 A 98 98 ASP N N 98 122.093 125.786 -3.693 1
1 1221 . 8 1 1 A 99 99 LEU H H 99 7.854 8.617 -0.763 1
1 1222 . 8 1 1 A 99 99 LEU HA H 99 4.766 4.197 0.569 1
1 1232 . 8 1 1 A 99 99 LEU C C 99 176.250 178.646 -2.396 1
1 1233 . 8 1 1 A 99 99 LEU CA C 99 53.544 55.562 -2.018 1
1 1234 . 8 1 1 A 99 99 LEU CB C 99 44.229 41.336 2.893 1
1 1238 . 8 1 1 A 99 99 LEU N N 99 120.272 128.340 -8.068 1
1 1239 . 8 1 1 A 100 100 ASP H H 100 9.215 8.640 0.575 1
1 1240 . 8 1 1 A 100 100 ASP HA H 100 4.935 4.453 0.482 1
1 1243 . 8 1 1 A 100 100 ASP C C 100 174.956 176.061 -1.105 1
1 1244 . 8 1 1 A 100 100 ASP CA C 100 52.684 56.595 -3.911 1
1 1245 . 8 1 1 A 100 100 ASP CB C 100 43.362 41.469 1.893 1
1 1246 . 8 1 1 A 100 100 ASP N N 100 123.325 123.853 -0.528 1
1 1247 . 8 1 1 A 101 101 LEU H H 101 8.526 8.126 0.400 1
1 1248 . 8 1 1 A 101 101 LEU HA H 101 4.639 4.522 0.117 1
1 1258 . 8 1 1 A 101 101 LEU C C 101 178.204 174.662 3.542 1
1 1259 . 8 1 1 A 101 101 LEU CA C 101 53.490 56.099 -2.609 1
1 1260 . 8 1 1 A 101 101 LEU CB C 101 44.374 41.114 3.260 1
1 1264 . 8 1 1 A 101 101 LEU N N 101 118.539 116.804 1.735 1
1 1265 . 8 1 1 A 102 102 ASP H H 102 8.029 8.261 -0.232 1
1 1266 . 8 1 1 A 102 102 ASP HA H 102 4.615 4.924 -0.309 1
1 1269 . 8 1 1 A 102 102 ASP C C 102 178.176 175.495 2.681 1
1 1270 . 8 1 1 A 102 102 ASP CA C 102 52.297 53.011 -0.714 1
1 1271 . 8 1 1 A 102 102 ASP CB C 102 41.108 44.296 -3.188 1
1 1272 . 8 1 1 A 102 102 ASP N N 102 121.008 124.206 -3.198 1
1 1273 . 8 1 1 A 103 103 ALA H H 103 8.384 8.720 -0.336 1
1 1274 . 8 1 1 A 103 103 ALA HA H 103 4.099 3.862 0.237 1
1 1278 . 8 1 1 A 103 103 ALA C C 103 178.527 177.177 1.350 1
1 1279 . 8 1 1 A 103 103 ALA CA C 103 54.648 54.867 -0.219 1
1 1280 . 8 1 1 A 103 103 ALA CB C 103 18.604 17.954 0.650 1
1 1281 . 8 1 1 A 103 103 ALA N N 103 120.139 124.204 -4.065 1
1 1282 . 8 1 1 A 104 104 ASP H H 104 8.033 8.176 -0.143 1
1 1283 . 8 1 1 A 104 104 ASP HA H 104 4.811 4.760 0.051 1
1 1286 . 8 1 1 A 104 104 ASP C C 104 176.113 176.402 -0.289 1
1 1287 . 8 1 1 A 104 104 ASP CA C 104 54.077 53.690 0.387 1
1 1288 . 8 1 1 A 104 104 ASP CB C 104 41.899 41.619 0.280 1
1 1289 . 8 1 1 A 104 104 ASP N N 104 116.590 117.267 -0.677 1
1 1290 . 8 1 1 A 105 105 GLY H H 105 8.196 8.159 0.037 1
1 1291 . 8 1 1 A 105 105 GLY HA2 H 105 4.293 3.994 0.299 1
1 1292 . 8 1 1 A 105 105 GLY HA3 H 105 3.657 3.994 -0.337 1
1 1293 . 8 1 1 A 105 105 GLY C C 105 173.635 174.359 -0.724 1
1 1294 . 8 1 1 A 105 105 GLY CA C 105 45.741 46.366 -0.625 1
1 1295 . 8 1 1 A 105 105 GLY N N 105 107.882 109.372 -1.490 1
1 1296 . 8 1 1 A 106 106 VAL H H 106 8.886 7.313 1.573 1
1 1297 . 8 1 1 A 106 106 VAL HA H 106 4.082 4.548 -0.466 1
1 1305 . 8 1 1 A 106 106 VAL C C 106 175.529 174.672 0.857 1
1 1306 . 8 1 1 A 106 106 VAL CA C 106 61.360 58.812 2.548 1
1 1307 . 8 1 1 A 106 106 VAL CB C 106 32.373 34.024 -1.651 1
1 1310 . 8 1 1 A 106 106 VAL N N 106 125.585 120.687 4.898 1
1 1311 . 8 1 1 A 107 107 PRO HA H 107 4.737 4.880 -0.143 1
1 1318 . 8 1 1 A 107 107 PRO C C 107 176.029 176.191 -0.162 1
1 1319 . 8 1 1 A 107 107 PRO CA C 107 62.674 62.482 0.192 1
1 1320 . 8 1 1 A 107 107 PRO CB C 107 31.789 31.531 0.258 1
1 1323 . 8 1 1 A 108 108 GLN H H 108 8.563 8.834 -0.271 1
1 1324 . 8 1 1 A 108 108 GLN HA H 108 4.498 4.522 -0.024 1
1 1331 . 8 1 1 A 108 108 GLN C C 108 176.218 175.901 0.317 1
1 1332 . 8 1 1 A 108 108 GLN CA C 108 54.901 54.668 0.233 1
1 1333 . 8 1 1 A 108 108 GLN CB C 108 29.514 26.692 2.822 1
1 1336 . 8 1 1 A 108 108 GLN N N 108 122.641 123.265 -0.624 1
1 1338 . 8 1 1 A 109 109 LEU H H 109 8.853 8.327 0.526 1
1 1339 . 8 1 1 A 109 109 LEU HA H 109 4.330 4.272 0.058 1
1 1349 . 8 1 1 A 109 109 LEU C C 109 178.151 179.469 -1.318 1
1 1350 . 8 1 1 A 109 109 LEU CA C 109 56.522 57.827 -1.305 1
1 1351 . 8 1 1 A 109 109 LEU CB C 109 41.883 41.481 0.402 1
1 1355 . 8 1 1 A 109 109 LEU N N 109 125.974 125.178 0.796 1
1 1356 . 8 1 1 A 110 110 GLY H H 110 8.809 8.227 0.582 1
1 1357 . 8 1 1 A 110 110 GLY HA2 H 110 3.952 3.939 0.013 1
1 1358 . 8 1 1 A 110 110 GLY HA3 H 110 3.551 3.941 -0.390 1
1 1359 . 8 1 1 A 110 110 GLY C C 110 176.002 174.503 1.499 1
1 1360 . 8 1 1 A 110 110 GLY CA C 110 48.748 46.713 2.035 1
1 1361 . 8 1 1 A 110 110 GLY N N 110 109.442 106.318 3.124 1
1 1362 . 8 1 1 A 111 111 ASP H H 111 8.674 7.896 0.778 1
1 1363 . 8 1 1 A 111 111 ASP HA H 111 4.317 4.656 -0.339 1
1 1366 . 8 1 1 A 111 111 ASP C C 111 177.159 177.248 -0.089 1
1 1367 . 8 1 1 A 111 111 ASP CA C 111 56.239 54.244 1.995 1
1 1368 . 8 1 1 A 111 111 ASP CB C 111 39.791 41.581 -1.790 1
1 1369 . 8 1 1 A 111 111 ASP N N 111 119.503 119.017 0.486 1
1 1370 . 8 1 1 A 112 112 HIS H H 112 7.471 7.692 -0.221 1
1 1371 . 8 1 1 A 112 112 HIS HA H 112 4.481 4.436 0.045 1
1 1376 . 8 1 1 A 112 112 HIS C C 112 177.121 175.588 1.533 1
1 1377 . 8 1 1 A 112 112 HIS CA C 112 56.692 58.988 -2.296 1
1 1378 . 8 1 1 A 112 112 HIS CB C 112 31.648 31.071 0.577 1
1 1381 . 8 1 1 A 112 112 HIS N N 112 116.681 114.740 1.941 1
1 1382 . 8 1 1 A 113 113 LEU H H 113 7.526 7.775 -0.249 1
1 1383 . 8 1 1 A 113 113 LEU HA H 113 4.148 4.392 -0.244 1
1 1393 . 8 1 1 A 113 113 LEU C C 113 177.363 176.811 0.552 1
1 1394 . 8 1 1 A 113 113 LEU CA C 113 55.509 54.398 1.111 1
1 1395 . 8 1 1 A 113 113 LEU CB C 113 42.009 42.332 -0.323 1
1 1399 . 8 1 1 A 113 113 LEU N N 113 118.976 118.569 0.407 1
1 1400 . 8 1 1 A 114 114 ALA H H 114 7.648 8.355 -0.707 1
1 1401 . 8 1 1 A 114 114 ALA HA H 114 4.227 4.366 -0.139 1
1 1405 . 8 1 1 A 114 114 ALA C C 114 177.692 177.061 0.631 1
1 1406 . 8 1 1 A 114 114 ALA CA C 114 52.828 50.632 2.196 1
1 1407 . 8 1 1 A 114 114 ALA CB C 114 18.497 17.026 1.471 1
1 1408 . 8 1 1 A 114 114 ALA N N 114 121.893 122.368 -0.475 1
1 1409 . 8 1 1 A 115 115 LEU H H 115 7.764 9.008 -1.244 1
1 1410 . 8 1 1 A 115 115 LEU HA H 115 4.146 3.899 0.247 1
1 1420 . 8 1 1 A 115 115 LEU C C 115 177.819 176.018 1.801 1
1 1421 . 8 1 1 A 115 115 LEU CA C 115 55.771 57.107 -1.336 1
1 1422 . 8 1 1 A 115 115 LEU CB C 115 42.000 40.734 1.266 1
1 1426 . 8 1 1 A 115 115 LEU N N 115 119.576 116.527 3.049 1
1 12 . 9 1 1 A 2 2 THR HA H 2 3.833 4.600 -0.767 1
1 17 . 9 1 1 A 2 2 THR C C 2 170.665 173.464 -2.799 1
1 18 . 9 1 1 A 2 2 THR CA C 2 62.154 60.503 1.651 1
1 19 . 9 1 1 A 2 2 THR CB C 2 69.580 70.665 -1.085 1
1 21 . 9 1 1 A 3 3 LEU H H 3 9.068 8.859 0.209 1
1 22 . 9 1 1 A 3 3 LEU HA H 3 4.887 5.019 -0.132 1
1 32 . 9 1 1 A 3 3 LEU C C 3 175.859 175.912 -0.053 1
1 33 . 9 1 1 A 3 3 LEU CA C 3 54.426 53.770 0.656 1
1 34 . 9 1 1 A 3 3 LEU CB C 3 43.222 44.252 -1.030 1
1 38 . 9 1 1 A 3 3 LEU N N 3 129.030 125.274 3.756 1
1 39 . 9 1 1 A 4 4 ILE H H 4 8.897 9.110 -0.213 1
1 40 . 9 1 1 A 4 4 ILE HA H 4 4.753 5.100 -0.347 1
1 50 . 9 1 1 A 4 4 ILE C C 4 174.211 174.150 0.061 1
1 51 . 9 1 1 A 4 4 ILE CA C 4 59.998 59.338 0.660 1
1 52 . 9 1 1 A 4 4 ILE CB C 4 41.129 40.215 0.914 1
1 56 . 9 1 1 A 4 4 ILE N N 4 115.702 121.651 -5.949 1
1 57 . 9 1 1 A 5 5 TYR H H 5 9.050 9.063 -0.013 1
1 58 . 9 1 1 A 5 5 TYR HA H 5 5.770 5.628 0.142 1
1 65 . 9 1 1 A 5 5 TYR C C 5 175.987 174.368 1.619 1
1 66 . 9 1 1 A 5 5 TYR CA C 5 57.923 56.160 1.763 1
1 67 . 9 1 1 A 5 5 TYR CB C 5 42.963 43.374 -0.411 1
1 72 . 9 1 1 A 5 5 TYR N N 5 114.414 121.466 -7.052 1
1 73 . 9 1 1 A 6 6 LYS H H 6 8.858 8.391 0.467 1
1 74 . 9 1 1 A 6 6 LYS HA H 6 4.813 4.631 0.182 1
1 83 . 9 1 1 A 6 6 LYS C C 6 172.801 173.956 -1.155 1
1 84 . 9 1 1 A 6 6 LYS CA C 6 52.969 55.242 -2.273 1
1 85 . 9 1 1 A 6 6 LYS CB C 6 37.109 35.716 1.393 1
1 89 . 9 1 1 A 6 6 LYS N N 6 121.597 120.987 0.610 1
1 90 . 9 1 1 A 7 7 ILE H H 7 8.277 8.815 -0.538 1
1 91 . 9 1 1 A 7 7 ILE HA H 7 4.702 4.888 -0.186 1
1 101 . 9 1 1 A 7 7 ILE C C 7 173.742 174.531 -0.789 1
1 102 . 9 1 1 A 7 7 ILE CA C 7 60.340 59.427 0.913 1
1 103 . 9 1 1 A 7 7 ILE CB C 7 38.941 38.825 0.116 1
1 107 . 9 1 1 A 7 7 ILE N N 7 128.212 127.723 0.489 1
1 108 . 9 1 1 A 8 8 LEU H H 8 8.627 8.465 0.162 1
1 109 . 9 1 1 A 8 8 LEU HA H 8 4.757 4.807 -0.050 1
1 119 . 9 1 1 A 8 8 LEU C C 8 173.661 175.584 -1.923 1
1 120 . 9 1 1 A 8 8 LEU CA C 8 54.530 53.692 0.838 1
1 121 . 9 1 1 A 8 8 LEU CB C 8 43.617 44.899 -1.282 1
1 125 . 9 1 1 A 8 8 LEU N N 8 126.590 123.933 2.657 1
1 126 . 9 1 1 A 9 9 SER H H 9 8.546 8.714 -0.168 1
1 127 . 9 1 1 A 9 9 SER HA H 9 4.765 4.556 0.209 1
1 130 . 9 1 1 A 9 9 SER C C 9 175.160 175.267 -0.107 1
1 131 . 9 1 1 A 9 9 SER CA C 9 58.520 58.750 -0.230 1
1 132 . 9 1 1 A 9 9 SER CB C 9 65.227 63.669 1.558 1
1 133 . 9 1 1 A 9 9 SER N N 9 115.543 117.040 -1.497 1
1 134 . 9 1 1 A 10 10 ARG H H 10 9.080 8.979 0.101 1
1 135 . 9 1 1 A 10 10 ARG HA H 10 4.037 4.045 -0.008 1
1 143 . 9 1 1 A 10 10 ARG C C 10 177.847 178.128 -0.281 1
1 144 . 9 1 1 A 10 10 ARG CA C 10 59.210 60.176 -0.966 1
1 145 . 9 1 1 A 10 10 ARG CB C 10 28.776 30.128 -1.352 1
1 148 . 9 1 1 A 10 10 ARG N N 10 123.688 125.105 -1.417 1
1 150 . 9 1 1 A 11 11 ALA H H 11 8.753 8.133 0.620 1
1 151 . 9 1 1 A 11 11 ALA HA H 11 4.248 4.142 0.106 1
1 155 . 9 1 1 A 11 11 ALA C C 11 181.848 179.592 2.256 1
1 156 . 9 1 1 A 11 11 ALA CA C 11 55.483 54.797 0.686 1
1 157 . 9 1 1 A 11 11 ALA CB C 11 18.209 18.746 -0.537 1
1 158 . 9 1 1 A 11 11 ALA N N 11 119.698 120.510 -0.812 1
1 159 . 9 1 1 A 12 12 GLU H H 12 7.957 8.098 -0.141 1
1 160 . 9 1 1 A 12 12 GLU HA H 12 4.183 4.211 -0.028 1
1 165 . 9 1 1 A 12 12 GLU C C 12 179.576 178.904 0.672 1
1 166 . 9 1 1 A 12 12 GLU CA C 12 59.103 59.303 -0.200 1
1 167 . 9 1 1 A 12 12 GLU CB C 12 31.077 29.415 1.662 1
1 169 . 9 1 1 A 12 12 GLU N N 12 118.210 118.606 -0.396 1
1 170 . 9 1 1 A 13 13 TRP H H 13 8.585 8.409 0.176 1
1 171 . 9 1 1 A 13 13 TRP HA H 13 4.937 4.313 0.624 1
1 180 . 9 1 1 A 13 13 TRP C C 13 176.827 178.329 -1.502 1
1 181 . 9 1 1 A 13 13 TRP CA C 13 57.845 60.839 -2.994 1
1 182 . 9 1 1 A 13 13 TRP CB C 13 31.010 29.393 1.617 1
1 188 . 9 1 1 A 13 13 TRP N N 13 123.646 122.316 1.330 1
1 190 . 9 1 1 A 14 14 ASP H H 14 9.260 8.594 0.666 1
1 191 . 9 1 1 A 14 14 ASP HA H 14 4.048 4.012 0.036 1
1 194 . 9 1 1 A 14 14 ASP C C 14 180.120 178.724 1.396 1
1 195 . 9 1 1 A 14 14 ASP CA C 14 57.767 57.161 0.606 1
1 196 . 9 1 1 A 14 14 ASP CB C 14 39.467 40.000 -0.533 1
1 197 . 9 1 1 A 14 14 ASP N N 14 120.253 118.364 1.889 1
1 198 . 9 1 1 A 15 15 ALA H H 15 7.599 7.989 -0.390 1
1 199 . 9 1 1 A 15 15 ALA HA H 15 4.163 4.091 0.072 1
1 203 . 9 1 1 A 15 15 ALA C C 15 180.115 179.685 0.430 1
1 204 . 9 1 1 A 15 15 ALA CA C 15 55.016 55.048 -0.032 1
1 205 . 9 1 1 A 15 15 ALA CB C 15 17.871 18.522 -0.651 1
1 206 . 9 1 1 A 15 15 ALA N N 15 122.164 122.896 -0.732 1
1 207 . 9 1 1 A 16 16 ALA H H 16 7.944 8.088 -0.144 1
1 208 . 9 1 1 A 16 16 ALA HA H 16 4.334 4.032 0.302 1
1 212 . 9 1 1 A 16 16 ALA C C 16 180.101 179.719 0.382 1
1 213 . 9 1 1 A 16 16 ALA CA C 16 54.659 55.215 -0.556 1
1 214 . 9 1 1 A 16 16 ALA CB C 16 19.107 18.607 0.500 1
1 215 . 9 1 1 A 16 16 ALA N N 16 122.526 120.068 2.458 1
1 216 . 9 1 1 A 17 17 LYS H H 17 8.317 7.824 0.493 1
1 217 . 9 1 1 A 17 17 LYS HA H 17 3.462 3.731 -0.269 1
1 226 . 9 1 1 A 17 17 LYS C C 17 179.126 178.173 0.953 1
1 227 . 9 1 1 A 17 17 LYS CA C 17 60.077 58.580 1.497 1
1 228 . 9 1 1 A 17 17 LYS CB C 17 31.431 31.501 -0.070 1
1 232 . 9 1 1 A 17 17 LYS N N 17 117.572 118.260 -0.688 1
1 233 . 9 1 1 A 18 18 ALA H H 18 7.296 7.775 -0.479 1
1 234 . 9 1 1 A 18 18 ALA HA H 18 4.100 4.005 0.095 1
1 238 . 9 1 1 A 18 18 ALA C C 18 178.940 177.943 0.997 1
1 239 . 9 1 1 A 18 18 ALA CA C 18 54.513 54.221 0.292 1
1 240 . 9 1 1 A 18 18 ALA CB C 18 18.132 18.131 0.001 1
1 241 . 9 1 1 A 18 18 ALA N N 18 119.644 121.728 -2.084 1
1 242 . 9 1 1 A 19 19 GLN H H 19 7.443 7.405 0.038 1
1 243 . 9 1 1 A 19 19 GLN HA H 19 4.535 4.330 0.205 1
1 250 . 9 1 1 A 19 19 GLN C C 19 176.607 176.770 -0.163 1
1 251 . 9 1 1 A 19 19 GLN CA C 19 55.755 55.952 -0.197 1
1 252 . 9 1 1 A 19 19 GLN CB C 19 30.075 29.607 0.468 1
1 255 . 9 1 1 A 19 19 GLN N N 19 113.538 115.707 -2.169 1
1 257 . 9 1 1 A 20 20 GLY H H 20 8.277 8.922 -0.645 1
1 258 . 9 1 1 A 20 20 GLY HA2 H 20 4.450 3.795 0.655 1
1 259 . 9 1 1 A 20 20 GLY HA3 H 20 3.627 3.820 -0.193 1
1 260 . 9 1 1 A 20 20 GLY C C 20 174.006 173.587 0.419 1
1 261 . 9 1 1 A 20 20 GLY CA C 20 45.567 45.617 -0.050 1
1 262 . 9 1 1 A 20 20 GLY N N 20 108.233 109.871 -1.638 1
1 263 . 9 1 1 A 21 21 ARG H H 21 7.786 7.293 0.493 1
1 264 . 9 1 1 A 21 21 ARG HA H 21 5.123 5.054 0.069 1
1 272 . 9 1 1 A 21 21 ARG C C 21 171.553 173.752 -2.199 1
1 273 . 9 1 1 A 21 21 ARG CA C 21 54.882 54.727 0.155 1
1 274 . 9 1 1 A 21 21 ARG CB C 21 32.114 33.615 -1.501 1
1 277 . 9 1 1 A 21 21 ARG N N 21 116.837 120.666 -3.829 1
1 279 . 9 1 1 A 22 22 PHE H H 22 9.821 9.273 0.548 1
1 280 . 9 1 1 A 22 22 PHE HA H 22 5.185 5.317 -0.132 1
1 285 . 9 1 1 A 22 22 PHE C C 22 173.825 174.234 -0.409 1
1 286 . 9 1 1 A 22 22 PHE CA C 22 54.913 56.175 -1.262 1
1 287 . 9 1 1 A 22 22 PHE CB C 22 41.568 41.299 0.269 1
1 290 . 9 1 1 A 22 22 PHE N N 22 121.680 127.423 -5.743 1
1 291 . 9 1 1 A 23 23 GLU H H 23 9.053 8.486 0.567 1
1 292 . 9 1 1 A 23 23 GLU HA H 23 3.893 4.710 -0.817 1
1 297 . 9 1 1 A 23 23 GLU C C 23 174.856 176.051 -1.195 1
1 298 . 9 1 1 A 23 23 GLU CA C 23 56.781 54.826 1.955 1
1 299 . 9 1 1 A 23 23 GLU CB C 23 29.990 30.494 -0.504 1
1 301 . 9 1 1 A 23 23 GLU N N 23 125.059 124.749 0.310 1
1 302 . 9 1 1 A 24 24 GLY HA2 H 24 4.212 3.832 0.380 1
1 303 . 9 1 1 A 24 24 GLY HA3 H 24 3.112 3.840 -0.728 1
1 304 . 9 1 1 A 24 24 GLY C C 24 173.311 174.181 -0.870 1
1 305 . 9 1 1 A 24 24 GLY CA C 24 45.104 45.971 -0.867 1
1 306 . 9 1 1 A 25 25 SER H H 25 9.877 8.296 1.581 1
1 307 . 9 1 1 A 25 25 SER HA H 25 4.884 4.499 0.385 1
1 310 . 9 1 1 A 25 25 SER C C 25 173.788 175.673 -1.885 1
1 311 . 9 1 1 A 25 25 SER CA C 25 57.549 57.988 -0.439 1
1 312 . 9 1 1 A 25 25 SER CB C 25 65.383 64.309 1.074 1
1 313 . 9 1 1 A 25 25 SER N N 25 121.073 119.371 1.702 1
1 314 . 9 1 1 A 26 26 ALA H H 26 9.097 9.024 0.073 1
1 315 . 9 1 1 A 26 26 ALA HA H 26 3.964 3.997 -0.033 1
1 319 . 9 1 1 A 26 26 ALA C C 26 181.102 179.794 1.308 1
1 320 . 9 1 1 A 26 26 ALA CA C 26 56.670 55.636 1.034 1
1 321 . 9 1 1 A 26 26 ALA CB C 26 17.927 18.222 -0.295 1
1 322 . 9 1 1 A 26 26 ALA N N 26 123.398 125.017 -1.619 1
1 323 . 9 1 1 A 27 27 VAL H H 27 7.928 8.021 -0.093 1
1 324 . 9 1 1 A 27 27 VAL HA H 27 3.593 3.386 0.207 1
1 332 . 9 1 1 A 27 27 VAL C C 27 176.628 177.710 -1.082 1
1 333 . 9 1 1 A 27 27 VAL CA C 27 65.257 67.263 -2.006 1
1 334 . 9 1 1 A 27 27 VAL CB C 27 31.688 31.576 0.112 1
1 337 . 9 1 1 A 27 27 VAL N N 27 117.697 118.300 -0.603 1
1 338 . 9 1 1 A 28 28 ASP H H 28 6.927 8.319 -1.392 1
1 339 . 9 1 1 A 28 28 ASP HA H 28 4.512 4.642 -0.130 1
1 342 . 9 1 1 A 28 28 ASP C C 28 178.402 179.208 -0.806 1
1 343 . 9 1 1 A 28 28 ASP CA C 28 56.586 57.762 -1.176 1
1 344 . 9 1 1 A 28 28 ASP CB C 28 41.317 40.127 1.190 1
1 345 . 9 1 1 A 28 28 ASP N N 28 121.516 120.635 0.881 1
1 346 . 9 1 1 A 29 29 LEU H H 29 8.309 8.330 -0.021 1
1 347 . 9 1 1 A 29 29 LEU HA H 29 3.764 4.024 -0.260 1
1 357 . 9 1 1 A 29 29 LEU C C 29 180.093 178.889 1.204 1
1 358 . 9 1 1 A 29 29 LEU CA C 29 57.091 57.777 -0.686 1
1 359 . 9 1 1 A 29 29 LEU CB C 29 41.418 40.690 0.728 1
1 363 . 9 1 1 A 29 29 LEU N N 29 118.648 121.209 -2.561 1
1 364 . 9 1 1 A 30 30 ALA H H 30 7.458 8.085 -0.627 1
1 365 . 9 1 1 A 30 30 ALA HA H 30 4.000 4.025 -0.025 1
1 369 . 9 1 1 A 30 30 ALA C C 30 179.371 180.271 -0.900 1
1 370 . 9 1 1 A 30 30 ALA CA C 30 54.526 55.507 -0.981 1
1 371 . 9 1 1 A 30 30 ALA CB C 30 18.102 18.133 -0.031 1
1 372 . 9 1 1 A 30 30 ALA N N 30 120.814 122.458 -1.644 1
1 373 . 9 1 1 A 31 31 ASP H H 31 7.682 8.111 -0.429 1
1 374 . 9 1 1 A 31 31 ASP HA H 31 4.410 4.365 0.045 1
1 377 . 9 1 1 A 31 31 ASP C C 31 176.610 176.605 0.005 1
1 378 . 9 1 1 A 31 31 ASP CA C 31 55.271 54.583 0.688 1
1 379 . 9 1 1 A 31 31 ASP CB C 31 40.083 40.883 -0.800 1
1 380 . 9 1 1 A 31 31 ASP N N 31 117.191 117.197 -0.006 1
1 381 . 9 1 1 A 32 32 GLY H H 32 7.909 8.433 -0.524 1
1 382 . 9 1 1 A 32 32 GLY HA2 H 32 4.090 3.572 0.518 1
1 383 . 9 1 1 A 32 32 GLY HA3 H 32 3.597 3.704 -0.107 1
1 384 . 9 1 1 A 32 32 GLY C C 32 173.168 173.165 0.003 1
1 385 . 9 1 1 A 32 32 GLY CA C 32 45.112 45.167 -0.055 1
1 386 . 9 1 1 A 32 32 GLY N N 32 106.983 107.416 -0.433 1
1 387 . 9 1 1 A 33 33 PHE H H 33 7.233 7.645 -0.412 1
1 388 . 9 1 1 A 33 33 PHE HA H 33 4.212 4.664 -0.452 1
1 396 . 9 1 1 A 33 33 PHE C C 33 171.389 175.168 -3.779 1
1 397 . 9 1 1 A 33 33 PHE CA C 33 55.383 56.796 -1.413 1
1 398 . 9 1 1 A 33 33 PHE CB C 33 37.177 41.612 -4.435 1
1 404 . 9 1 1 A 33 33 PHE N N 33 115.364 119.176 -3.812 1
1 405 . 9 1 1 A 34 34 ILE H H 34 8.637 8.788 -0.151 1
1 406 . 9 1 1 A 34 34 ILE HA H 34 3.817 4.127 -0.310 1
1 416 . 9 1 1 A 34 34 ILE C C 34 177.018 176.089 0.929 1
1 417 . 9 1 1 A 34 34 ILE CA C 34 60.724 62.985 -2.261 1
1 418 . 9 1 1 A 34 34 ILE CB C 34 39.266 37.624 1.642 1
1 422 . 9 1 1 A 34 34 ILE N N 34 114.086 124.929 -10.843 1
1 423 . 9 1 1 A 35 35 HIS H H 35 9.203 8.827 0.376 1
1 424 . 9 1 1 A 35 35 HIS HA H 35 4.448 5.382 -0.934 1
1 428 . 9 1 1 A 35 35 HIS C C 35 175.740 175.039 0.701 1
1 429 . 9 1 1 A 35 35 HIS CA C 35 57.757 54.810 2.947 1
1 430 . 9 1 1 A 35 35 HIS CB C 35 29.758 30.596 -0.838 1
1 432 . 9 1 1 A 35 35 HIS N N 35 127.988 126.466 1.522 1
1 433 . 9 1 1 A 36 36 LEU H H 36 8.454 9.160 -0.706 1
1 434 . 9 1 1 A 36 36 LEU HA H 36 5.190 4.378 0.812 1
1 444 . 9 1 1 A 36 36 LEU C C 36 174.813 175.934 -1.121 1
1 445 . 9 1 1 A 36 36 LEU CA C 36 56.019 53.990 2.029 1
1 446 . 9 1 1 A 36 36 LEU CB C 36 44.541 40.164 4.377 1
1 450 . 9 1 1 A 36 36 LEU N N 36 126.075 126.432 -0.357 1
1 451 . 9 1 1 A 37 37 SER H H 37 9.128 7.338 1.790 1
1 452 . 9 1 1 A 37 37 SER HA H 37 5.277 4.337 0.940 1
1 455 . 9 1 1 A 37 37 SER C C 37 174.433 174.398 0.035 1
1 456 . 9 1 1 A 37 37 SER CA C 37 57.990 60.541 -2.551 1
1 457 . 9 1 1 A 37 37 SER CB C 37 66.778 63.635 3.143 1
1 458 . 9 1 1 A 37 37 SER N N 37 112.795 117.535 -4.740 1
1 459 . 9 1 1 A 38 38 ALA H H 38 9.665 8.524 1.141 1
1 460 . 9 1 1 A 38 38 ALA HA H 38 4.973 4.867 0.106 1
1 464 . 9 1 1 A 38 38 ALA C C 38 179.640 178.437 1.203 1
1 465 . 9 1 1 A 38 38 ALA CA C 38 52.303 51.628 0.675 1
1 466 . 9 1 1 A 38 38 ALA CB C 38 19.350 21.303 -1.953 1
1 467 . 9 1 1 A 38 38 ALA N N 38 127.103 129.701 -2.598 1
1 468 . 9 1 1 A 39 39 GLY H H 39 10.159 8.638 1.521 1
1 469 . 9 1 1 A 39 39 GLY HA2 H 39 4.249 3.739 0.510 1
1 470 . 9 1 1 A 39 39 GLY HA3 H 39 3.720 3.925 -0.205 1
1 471 . 9 1 1 A 39 39 GLY C C 39 176.229 175.453 0.776 1
1 472 . 9 1 1 A 39 39 GLY CA C 39 49.163 47.172 1.991 1
1 473 . 9 1 1 A 39 39 GLY N N 39 112.007 109.114 2.893 1
1 474 . 9 1 1 A 40 40 GLU H H 40 9.367 8.987 0.380 1
1 475 . 9 1 1 A 40 40 GLU HA H 40 4.234 3.988 0.246 1
1 480 . 9 1 1 A 40 40 GLU C C 40 176.417 179.093 -2.676 1
1 481 . 9 1 1 A 40 40 GLU CA C 40 58.622 59.475 -0.853 1
1 482 . 9 1 1 A 40 40 GLU CB C 40 28.796 29.273 -0.477 1
1 484 . 9 1 1 A 40 40 GLU N N 40 117.243 126.470 -9.227 1
1 485 . 9 1 1 A 41 41 GLN H H 41 7.503 7.837 -0.334 1
1 486 . 9 1 1 A 41 41 GLN HA H 41 4.752 4.078 0.674 1
1 493 . 9 1 1 A 41 41 GLN C C 41 177.730 178.671 -0.941 1
1 494 . 9 1 1 A 41 41 GLN CA C 41 55.626 58.776 -3.150 1
1 495 . 9 1 1 A 41 41 GLN CB C 41 30.653 28.423 2.230 1
1 498 . 9 1 1 A 41 41 GLN N N 41 115.837 119.268 -3.431 1
1 500 . 9 1 1 A 42 42 ALA H H 42 7.519 8.220 -0.701 1
1 501 . 9 1 1 A 42 42 ALA HA H 42 3.927 4.073 -0.146 1
1 505 . 9 1 1 A 42 42 ALA C C 42 177.826 179.027 -1.201 1
1 506 . 9 1 1 A 42 42 ALA CA C 42 56.706 55.524 1.182 1
1 507 . 9 1 1 A 42 42 ALA CB C 42 18.247 18.067 0.180 1
1 508 . 9 1 1 A 42 42 ALA N N 42 123.105 122.881 0.224 1
1 509 . 9 1 1 A 43 43 GLN H H 43 9.203 8.044 1.159 1
1 510 . 9 1 1 A 43 43 GLN HA H 43 3.942 3.984 -0.042 1
1 517 . 9 1 1 A 43 43 GLN C C 43 177.913 179.023 -1.110 1
1 518 . 9 1 1 A 43 43 GLN CA C 43 58.678 58.982 -0.304 1
1 519 . 9 1 1 A 43 43 GLN CB C 43 28.815 28.269 0.546 1
1 522 . 9 1 1 A 43 43 GLN N N 43 118.650 117.785 0.865 1
1 524 . 9 1 1 A 44 44 GLU H H 44 8.611 8.356 0.255 1
1 525 . 9 1 1 A 44 44 GLU HA H 44 4.207 4.133 0.074 1
1 530 . 9 1 1 A 44 44 GLU C C 44 179.090 179.016 0.074 1
1 531 . 9 1 1 A 44 44 GLU CA C 44 59.246 59.049 0.197 1
1 532 . 9 1 1 A 44 44 GLU CB C 44 28.850 29.556 -0.706 1
1 534 . 9 1 1 A 44 44 GLU N N 44 122.042 118.769 3.273 1
1 535 . 9 1 1 A 45 45 THR H H 45 8.292 7.487 0.805 1
1 536 . 9 1 1 A 45 45 THR HA H 45 4.123 4.290 -0.167 1
1 541 . 9 1 1 A 45 45 THR C C 45 176.228 176.186 0.042 1
1 542 . 9 1 1 A 45 45 THR CA C 45 66.902 66.587 0.315 1
1 543 . 9 1 1 A 45 45 THR CB C 45 68.949 69.085 -0.136 1
1 545 . 9 1 1 A 45 45 THR N N 45 117.583 117.307 0.276 1
1 546 . 9 1 1 A 46 46 ALA H H 46 8.275 8.701 -0.426 1
1 547 . 9 1 1 A 46 46 ALA HA H 46 4.255 4.422 -0.167 1
1 551 . 9 1 1 A 46 46 ALA C C 46 178.630 179.769 -1.139 1
1 552 . 9 1 1 A 46 46 ALA CA C 46 55.406 55.684 -0.278 1
1 553 . 9 1 1 A 46 46 ALA CB C 46 18.482 18.291 0.191 1
1 554 . 9 1 1 A 46 46 ALA N N 46 123.184 123.664 -0.480 1
1 555 . 9 1 1 A 47 47 ALA H H 47 8.066 8.676 -0.610 1
1 556 . 9 1 1 A 47 47 ALA HA H 47 3.953 4.143 -0.190 1
1 560 . 9 1 1 A 47 47 ALA C C 47 178.552 178.885 -0.333 1
1 561 . 9 1 1 A 47 47 ALA CA C 47 55.030 54.954 0.076 1
1 562 . 9 1 1 A 47 47 ALA CB C 47 18.899 18.459 0.440 1
1 563 . 9 1 1 A 47 47 ALA N N 47 117.129 120.138 -3.009 1
1 564 . 9 1 1 A 48 48 LYS H H 48 8.089 7.882 0.207 1
1 565 . 9 1 1 A 48 48 LYS HA H 48 3.936 4.343 -0.407 1
1 574 . 9 1 1 A 48 48 LYS C C 48 179.130 178.173 0.957 1
1 575 . 9 1 1 A 48 48 LYS CA C 48 58.560 57.951 0.609 1
1 576 . 9 1 1 A 48 48 LYS CB C 48 33.122 33.772 -0.650 1
1 580 . 9 1 1 A 48 48 LYS N N 48 115.322 115.121 0.201 1
1 581 . 9 1 1 A 49 49 TRP H H 49 7.978 8.446 -0.468 1
1 582 . 9 1 1 A 49 49 TRP HA H 49 4.807 4.311 0.496 1
1 591 . 9 1 1 A 49 49 TRP C C 49 176.923 177.388 -0.465 1
1 592 . 9 1 1 A 49 49 TRP CA C 49 57.157 59.422 -2.265 1
1 593 . 9 1 1 A 49 49 TRP CB C 49 31.461 30.524 0.937 1
1 599 . 9 1 1 A 49 49 TRP N N 49 114.492 118.996 -4.504 1
1 601 . 9 1 1 A 50 50 PHE H H 50 7.740 8.041 -0.301 1
1 602 . 9 1 1 A 50 50 PHE HA H 50 4.925 4.831 0.094 1
1 608 . 9 1 1 A 50 50 PHE C C 50 174.160 175.216 -1.056 1
1 609 . 9 1 1 A 50 50 PHE CA C 50 57.772 57.096 0.676 1
1 610 . 9 1 1 A 50 50 PHE CB C 50 39.610 39.079 0.531 1
1 614 . 9 1 1 A 50 50 PHE N N 50 116.540 115.924 0.616 1
1 615 . 9 1 1 A 51 51 ARG H H 51 7.389 7.633 -0.244 1
1 616 . 9 1 1 A 51 51 ARG HA H 51 4.198 4.259 -0.061 1
1 624 . 9 1 1 A 51 51 ARG C C 51 179.130 176.691 2.439 1
1 625 . 9 1 1 A 51 51 ARG CA C 51 58.224 56.465 1.759 1
1 626 . 9 1 1 A 51 51 ARG CB C 51 30.032 30.295 -0.263 1
1 629 . 9 1 1 A 51 51 ARG N N 51 119.136 118.756 0.380 1
1 631 . 9 1 1 A 52 52 GLY H H 52 10.264 9.005 1.259 1
1 632 . 9 1 1 A 52 52 GLY HA2 H 52 4.180 4.040 0.140 1
1 633 . 9 1 1 A 52 52 GLY HA3 H 52 3.745 4.040 -0.295 1
1 634 . 9 1 1 A 52 52 GLY C C 52 173.980 174.101 -0.121 1
1 635 . 9 1 1 A 52 52 GLY CA C 52 45.517 45.043 0.474 1
1 636 . 9 1 1 A 52 52 GLY N N 52 114.192 111.245 2.947 1
1 637 . 9 1 1 A 53 53 GLN H H 53 7.597 7.552 0.045 1
1 638 . 9 1 1 A 53 53 GLN HA H 53 4.437 4.405 0.032 1
1 645 . 9 1 1 A 53 53 GLN C C 53 172.934 175.746 -2.812 1
1 646 . 9 1 1 A 53 53 GLN CA C 53 56.280 55.523 0.757 1
1 647 . 9 1 1 A 53 53 GLN CB C 53 29.123 29.184 -0.061 1
1 650 . 9 1 1 A 53 53 GLN N N 53 120.438 120.482 -0.044 1
1 652 . 9 1 1 A 54 54 ALA H H 54 8.190 8.617 -0.427 1
1 653 . 9 1 1 A 54 54 ALA HA H 54 4.344 4.500 -0.156 1
1 657 . 9 1 1 A 54 54 ALA C C 54 177.278 178.099 -0.821 1
1 658 . 9 1 1 A 54 54 ALA CA C 54 51.377 51.913 -0.536 1
1 659 . 9 1 1 A 54 54 ALA CB C 54 20.525 19.691 0.834 1
1 660 . 9 1 1 A 54 54 ALA N N 54 124.528 127.377 -2.849 1
1 661 . 9 1 1 A 55 55 ASN H H 55 8.903 8.184 0.719 1
1 662 . 9 1 1 A 55 55 ASN HA H 55 4.598 4.864 -0.266 1
1 667 . 9 1 1 A 55 55 ASN C C 55 174.075 174.633 -0.558 1
1 668 . 9 1 1 A 55 55 ASN CA C 55 53.986 53.339 0.647 1
1 669 . 9 1 1 A 55 55 ASN CB C 55 37.654 39.075 -1.421 1
1 671 . 9 1 1 A 55 55 ASN N N 55 113.776 116.256 -2.480 1
1 673 . 9 1 1 A 56 56 LEU H H 56 8.543 7.440 1.103 1
1 674 . 9 1 1 A 56 56 LEU HA H 56 4.677 5.045 -0.368 1
1 684 . 9 1 1 A 56 56 LEU C C 56 176.806 175.554 1.252 1
1 685 . 9 1 1 A 56 56 LEU CA C 56 54.383 52.698 1.685 1
1 686 . 9 1 1 A 56 56 LEU CB C 56 45.328 45.010 0.318 1
1 690 . 9 1 1 A 56 56 LEU N N 56 117.411 116.580 0.831 1
1 691 . 9 1 1 A 57 57 VAL H H 57 9.207 9.030 0.177 1
1 692 . 9 1 1 A 57 57 VAL HA H 57 4.633 4.728 -0.095 1
1 700 . 9 1 1 A 57 57 VAL C C 57 172.465 173.347 -0.882 1
1 701 . 9 1 1 A 57 57 VAL CA C 57 59.970 60.555 -0.585 1
1 702 . 9 1 1 A 57 57 VAL CB C 57 35.376 35.238 0.138 1
1 705 . 9 1 1 A 57 57 VAL N N 57 121.448 119.457 1.991 1
1 706 . 9 1 1 A 58 58 LEU H H 58 8.855 8.914 -0.059 1
1 707 . 9 1 1 A 58 58 LEU HA H 58 4.763 4.822 -0.059 1
1 717 . 9 1 1 A 58 58 LEU C C 58 175.349 174.319 1.030 1
1 718 . 9 1 1 A 58 58 LEU CA C 58 52.286 53.321 -1.035 1
1 719 . 9 1 1 A 58 58 LEU CB C 58 46.390 44.578 1.812 1
1 723 . 9 1 1 A 58 58 LEU N N 58 124.476 129.383 -4.907 1
1 724 . 9 1 1 A 59 59 LEU H H 59 9.265 9.198 0.067 1
1 725 . 9 1 1 A 59 59 LEU HA H 59 4.714 4.874 -0.160 1
1 735 . 9 1 1 A 59 59 LEU C C 59 175.262 175.461 -0.199 1
1 736 . 9 1 1 A 59 59 LEU CA C 59 52.753 53.168 -0.415 1
1 737 . 9 1 1 A 59 59 LEU CB C 59 42.431 43.125 -0.694 1
1 741 . 9 1 1 A 59 59 LEU N N 59 125.973 128.015 -2.042 1
1 742 . 9 1 1 A 60 60 ALA H H 60 8.331 9.139 -0.808 1
1 743 . 9 1 1 A 60 60 ALA HA H 60 4.739 5.009 -0.270 1
1 747 . 9 1 1 A 60 60 ALA C C 60 175.631 175.992 -0.361 1
1 748 . 9 1 1 A 60 60 ALA CA C 60 50.320 50.196 0.124 1
1 749 . 9 1 1 A 60 60 ALA CB C 60 21.744 21.457 0.287 1
1 750 . 9 1 1 A 60 60 ALA N N 60 124.617 126.465 -1.848 1
1 751 . 9 1 1 A 61 61 VAL H H 61 8.944 8.613 0.331 1
1 752 . 9 1 1 A 61 61 VAL HA H 61 4.244 4.512 -0.268 1
1 760 . 9 1 1 A 61 61 VAL C C 61 174.674 174.617 0.057 1
1 761 . 9 1 1 A 61 61 VAL CA C 61 60.770 60.300 0.470 1
1 762 . 9 1 1 A 61 61 VAL CB C 61 36.636 35.699 0.937 1
1 765 . 9 1 1 A 61 61 VAL N N 61 124.079 122.655 1.424 1
1 766 . 9 1 1 A 62 62 GLU H H 62 8.490 8.543 -0.053 1
1 767 . 9 1 1 A 62 62 GLU HA H 62 4.551 4.257 0.294 1
1 772 . 9 1 1 A 62 62 GLU C C 62 177.700 177.450 0.250 1
1 773 . 9 1 1 A 62 62 GLU CA C 62 56.879 56.763 0.116 1
1 774 . 9 1 1 A 62 62 GLU CB C 62 29.372 29.839 -0.467 1
1 776 . 9 1 1 A 62 62 GLU N N 62 127.752 126.321 1.431 1
1 777 . 9 1 1 A 63 63 ALA H H 63 9.173 8.629 0.544 1
1 778 . 9 1 1 A 63 63 ALA HA H 63 3.991 4.047 -0.056 1
1 782 . 9 1 1 A 63 63 ALA C C 63 180.311 177.862 2.449 1
1 783 . 9 1 1 A 63 63 ALA CA C 63 54.850 55.183 -0.333 1
1 784 . 9 1 1 A 63 63 ALA CB C 63 19.495 19.060 0.435 1
1 785 . 9 1 1 A 63 63 ALA N N 63 127.466 127.274 0.192 1
1 786 . 9 1 1 A 64 64 GLU H H 64 9.571 8.111 1.460 1
1 787 . 9 1 1 A 64 64 GLU HA H 64 4.146 4.442 -0.296 1
1 792 . 9 1 1 A 64 64 GLU C C 64 177.102 174.906 2.196 1
1 793 . 9 1 1 A 64 64 GLU CA C 64 63.532 57.160 6.372 1
1 794 . 9 1 1 A 64 64 GLU CB C 64 25.742 28.819 -3.077 1
1 796 . 9 1 1 A 64 64 GLU N N 64 120.368 117.494 2.874 1
1 797 . 9 1 1 A 65 65 PRO HA H 65 4.440 4.650 -0.210 1
1 804 . 9 1 1 A 65 65 PRO C C 65 177.332 176.894 0.438 1
1 805 . 9 1 1 A 65 65 PRO CA C 65 64.973 62.212 2.761 1
1 806 . 9 1 1 A 65 65 PRO CB C 65 31.341 29.292 2.049 1
1 809 . 9 1 1 A 66 66 LEU H H 66 7.412 8.988 -1.576 1
1 810 . 9 1 1 A 66 66 LEU HA H 66 4.023 4.189 -0.166 1
1 820 . 9 1 1 A 66 66 LEU C C 66 178.533 176.958 1.575 1
1 821 . 9 1 1 A 66 66 LEU CA C 66 55.861 57.335 -1.474 1
1 822 . 9 1 1 A 66 66 LEU CB C 66 41.349 42.672 -1.323 1
1 826 . 9 1 1 A 66 66 LEU N N 66 114.991 123.047 -8.056 1
1 827 . 9 1 1 A 67 67 GLY H H 67 7.733 7.411 0.322 1
1 828 . 9 1 1 A 67 67 GLY HA2 H 67 4.018 4.141 -0.123 1
1 829 . 9 1 1 A 67 67 GLY HA3 H 67 3.909 4.146 -0.237 1
1 830 . 9 1 1 A 67 67 GLY C C 67 175.925 172.956 2.969 1
1 831 . 9 1 1 A 67 67 GLY CA C 67 46.054 46.147 -0.093 1
1 832 . 9 1 1 A 67 67 GLY N N 67 104.242 103.995 0.247 1
1 833 . 9 1 1 A 68 68 GLU H H 68 8.887 8.419 0.468 1
1 834 . 9 1 1 A 68 68 GLU HA H 68 4.219 4.555 -0.336 1
1 839 . 9 1 1 A 68 68 GLU C C 68 176.314 176.441 -0.127 1
1 840 . 9 1 1 A 68 68 GLU CA C 68 57.652 55.446 2.206 1
1 841 . 9 1 1 A 68 68 GLU CB C 68 29.306 30.599 -1.293 1
1 843 . 9 1 1 A 68 68 GLU N N 68 121.253 124.716 -3.463 1
1 844 . 9 1 1 A 69 69 ASP H H 69 7.630 8.224 -0.594 1
1 845 . 9 1 1 A 69 69 ASP HA H 69 4.587 4.258 0.329 1
1 848 . 9 1 1 A 69 69 ASP C C 69 174.665 175.976 -1.311 1
1 849 . 9 1 1 A 69 69 ASP CA C 69 56.078 56.194 -0.116 1
1 850 . 9 1 1 A 69 69 ASP CB C 69 41.572 40.202 1.370 1
1 851 . 9 1 1 A 69 69 ASP N N 69 116.486 118.660 -2.174 1
1 852 . 9 1 1 A 70 70 LEU H H 70 7.433 7.270 0.163 1
1 853 . 9 1 1 A 70 70 LEU HA H 70 4.854 4.430 0.424 1
1 863 . 9 1 1 A 70 70 LEU C C 70 174.259 174.809 -0.550 1
1 864 . 9 1 1 A 70 70 LEU CA C 70 53.281 54.570 -1.289 1
1 865 . 9 1 1 A 70 70 LEU CB C 70 43.024 42.916 0.108 1
1 869 . 9 1 1 A 70 70 LEU N N 70 121.585 120.913 0.672 1
1 870 . 9 1 1 A 71 71 LYS H H 71 9.114 9.079 0.035 1
1 871 . 9 1 1 A 71 71 LYS HA H 71 4.724 4.838 -0.114 1
1 880 . 9 1 1 A 71 71 LYS C C 71 175.146 175.708 -0.562 1
1 881 . 9 1 1 A 71 71 LYS CA C 71 54.024 55.178 -1.154 1
1 882 . 9 1 1 A 71 71 LYS CB C 71 35.469 32.788 2.681 1
1 886 . 9 1 1 A 71 71 LYS N N 71 126.179 127.016 -0.837 1
1 887 . 9 1 1 A 72 72 TRP H H 72 8.981 8.808 0.173 1
1 888 . 9 1 1 A 72 72 TRP HA H 72 4.720 4.794 -0.074 1
1 897 . 9 1 1 A 72 72 TRP C C 72 176.394 175.635 0.759 1
1 898 . 9 1 1 A 72 72 TRP CA C 72 55.876 56.058 -0.182 1
1 899 . 9 1 1 A 72 72 TRP CB C 72 27.789 27.315 0.474 1
1 905 . 9 1 1 A 72 72 TRP N N 72 125.904 126.391 -0.487 1
1 907 . 9 1 1 A 73 73 GLU H H 73 8.558 8.866 -0.308 1
1 908 . 9 1 1 A 73 73 GLU HA H 73 4.762 4.878 -0.116 1
1 913 . 9 1 1 A 73 73 GLU C C 73 175.459 175.693 -0.234 1
1 914 . 9 1 1 A 73 73 GLU CA C 73 55.208 55.910 -0.702 1
1 915 . 9 1 1 A 73 73 GLU CB C 73 32.615 31.002 1.613 1
1 917 . 9 1 1 A 73 73 GLU N N 73 123.290 125.874 -2.584 1
1 918 . 9 1 1 A 74 74 ALA H H 74 8.962 8.705 0.257 1
1 919 . 9 1 1 A 74 74 ALA HA H 74 4.738 5.534 -0.796 1
1 923 . 9 1 1 A 74 74 ALA C C 74 177.803 176.945 0.858 1
1 924 . 9 1 1 A 74 74 ALA CA C 74 52.246 51.434 0.812 1
1 925 . 9 1 1 A 74 74 ALA CB C 74 20.070 20.560 -0.490 1
1 926 . 9 1 1 A 74 74 ALA N N 74 127.315 130.301 -2.986 1
1 927 . 9 1 1 A 75 75 SER H H 75 8.762 8.735 0.027 1
1 928 . 9 1 1 A 75 75 SER HA H 75 4.850 4.935 -0.085 1
1 931 . 9 1 1 A 75 75 SER C C 75 176.080 173.510 2.570 1
1 932 . 9 1 1 A 75 75 SER CA C 75 56.954 56.076 0.878 1
1 933 . 9 1 1 A 75 75 SER CB C 75 65.244 66.403 -1.159 1
1 934 . 9 1 1 A 75 75 SER N N 75 117.745 117.693 0.052 1
1 935 . 9 1 1 A 76 76 ARG HA H 76 4.193 3.951 0.242 1
1 943 . 9 1 1 A 76 76 ARG CA C 76 58.895 58.810 0.085 1
1 944 . 9 1 1 A 76 76 ARG CB C 76 29.877 28.885 0.992 1
1 947 . 9 1 1 A 77 77 GLY C C 77 175.277 173.698 1.579 1
1 948 . 9 1 1 A 78 78 GLY H H 78 8.045 7.631 0.414 1
1 949 . 9 1 1 A 78 78 GLY HA2 H 78 4.390 4.127 0.263 1
1 950 . 9 1 1 A 78 78 GLY HA3 H 78 3.786 4.135 -0.349 1
1 951 . 9 1 1 A 78 78 GLY C C 78 173.503 173.365 0.138 1
1 952 . 9 1 1 A 78 78 GLY CA C 78 45.296 44.730 0.566 1
1 953 . 9 1 1 A 78 78 GLY N N 78 110.323 108.114 2.209 1
1 954 . 9 1 1 A 79 79 ALA H H 79 7.879 8.582 -0.703 1
1 955 . 9 1 1 A 79 79 ALA HA H 79 4.357 3.832 0.525 1
1 959 . 9 1 1 A 79 79 ALA C C 79 176.674 176.455 0.219 1
1 960 . 9 1 1 A 79 79 ALA CA C 79 52.151 52.736 -0.585 1
1 961 . 9 1 1 A 79 79 ALA CB C 79 20.171 17.702 2.469 1
1 962 . 9 1 1 A 79 79 ALA N N 79 123.865 122.994 0.871 1
1 963 . 9 1 1 A 80 80 ARG H H 80 8.375 8.616 -0.241 1
1 964 . 9 1 1 A 80 80 ARG HA H 80 4.629 4.508 0.121 1
1 972 . 9 1 1 A 80 80 ARG C C 80 175.713 175.232 0.481 1
1 973 . 9 1 1 A 80 80 ARG CA C 80 55.622 54.978 0.644 1
1 974 . 9 1 1 A 80 80 ARG CB C 80 32.074 29.636 2.438 1
1 977 . 9 1 1 A 80 80 ARG N N 80 119.145 123.158 -4.013 1
1 979 . 9 1 1 A 81 81 PHE H H 81 8.722 8.795 -0.073 1
1 980 . 9 1 1 A 81 81 PHE HA H 81 5.156 4.623 0.533 1
1 988 . 9 1 1 A 81 81 PHE C C 81 172.806 174.813 -2.007 1
1 989 . 9 1 1 A 81 81 PHE CA C 81 54.950 56.703 -1.753 1
1 990 . 9 1 1 A 81 81 PHE CB C 81 42.240 38.585 3.655 1
1 996 . 9 1 1 A 81 81 PHE N N 81 123.774 125.023 -1.249 1
1 997 . 9 1 1 A 82 82 PRO HA H 82 3.635 4.160 -0.525 1
1 1004 . 9 1 1 A 82 82 PRO C C 82 174.511 175.600 -1.089 1
1 1005 . 9 1 1 A 82 82 PRO CA C 82 61.347 62.031 -0.684 1
1 1006 . 9 1 1 A 82 82 PRO CB C 82 29.495 29.034 0.461 1
1 1009 . 9 1 1 A 83 83 HIS H H 83 8.831 8.804 0.027 1
1 1010 . 9 1 1 A 83 83 HIS HA H 83 5.330 5.039 0.291 1
1 1014 . 9 1 1 A 83 83 HIS C C 83 172.952 174.140 -1.188 1
1 1015 . 9 1 1 A 83 83 HIS CA C 83 50.700 55.352 -4.652 1
1 1016 . 9 1 1 A 83 83 HIS CB C 83 33.238 30.052 3.186 1
1 1018 . 9 1 1 A 83 83 HIS N N 83 124.483 122.923 1.560 1
1 1019 . 9 1 1 A 84 84 LEU H H 84 9.063 9.037 0.026 1
1 1020 . 9 1 1 A 84 84 LEU HA H 84 5.163 4.715 0.448 1
1 1030 . 9 1 1 A 84 84 LEU C C 84 176.699 177.004 -0.305 1
1 1031 . 9 1 1 A 84 84 LEU CA C 84 53.829 53.925 -0.096 1
1 1032 . 9 1 1 A 84 84 LEU CB C 84 45.366 43.152 2.214 1
1 1036 . 9 1 1 A 84 84 LEU N N 84 125.218 126.952 -1.734 1
1 1037 . 9 1 1 A 85 85 TYR H H 85 9.058 8.880 0.178 1
1 1038 . 9 1 1 A 85 85 TYR HA H 85 4.508 4.644 -0.136 1
1 1045 . 9 1 1 A 85 85 TYR C C 85 173.624 174.790 -1.166 1
1 1046 . 9 1 1 A 85 85 TYR CA C 85 60.034 57.951 2.083 1
1 1047 . 9 1 1 A 85 85 TYR CB C 85 36.073 38.017 -1.944 1
1 1052 . 9 1 1 A 85 85 TYR N N 85 131.339 126.606 4.733 1
1 1053 . 9 1 1 A 86 86 ARG H H 86 7.432 7.643 -0.211 1
1 1054 . 9 1 1 A 86 86 ARG HA H 86 4.682 4.917 -0.235 1
1 1062 . 9 1 1 A 86 86 ARG C C 86 171.917 173.702 -1.785 1
1 1063 . 9 1 1 A 86 86 ARG CA C 86 54.953 52.855 2.098 1
1 1064 . 9 1 1 A 86 86 ARG CB C 86 28.209 31.823 -3.614 1
1 1067 . 9 1 1 A 86 86 ARG N N 86 114.399 118.655 -4.256 1
1 1069 . 9 1 1 A 87 87 PRO HA H 87 4.303 4.647 -0.344 1
1 1076 . 9 1 1 A 87 87 PRO C C 87 175.771 176.567 -0.796 1
1 1077 . 9 1 1 A 87 87 PRO CA C 87 63.497 62.867 0.630 1
1 1078 . 9 1 1 A 87 87 PRO CB C 87 32.253 31.525 0.728 1
1 1081 . 9 1 1 A 88 88 LEU H H 88 8.095 8.242 -0.147 1
1 1082 . 9 1 1 A 88 88 LEU HA H 88 4.286 4.607 -0.321 1
1 1092 . 9 1 1 A 88 88 LEU C C 88 175.946 176.288 -0.342 1
1 1093 . 9 1 1 A 88 88 LEU CA C 88 53.675 55.216 -1.541 1
1 1094 . 9 1 1 A 88 88 LEU CB C 88 45.548 42.558 2.990 1
1 1098 . 9 1 1 A 88 88 LEU N N 88 125.942 123.794 2.148 1
1 1099 . 9 1 1 A 89 89 LEU H H 89 9.224 8.764 0.460 1
1 1100 . 9 1 1 A 89 89 LEU HA H 89 4.561 4.350 0.211 1
1 1110 . 9 1 1 A 89 89 LEU C C 89 179.295 178.426 0.869 1
1 1111 . 9 1 1 A 89 89 LEU CA C 89 55.212 55.054 0.158 1
1 1112 . 9 1 1 A 89 89 LEU CB C 89 41.460 42.014 -0.554 1
1 1116 . 9 1 1 A 89 89 LEU N N 89 128.295 128.048 0.247 1
1 1117 . 9 1 1 A 90 90 VAL H H 90 7.665 8.753 -1.088 1
1 1118 . 9 1 1 A 90 90 VAL HA H 90 3.785 3.826 -0.041 1
1 1126 . 9 1 1 A 90 90 VAL C C 90 178.510 177.407 1.103 1
1 1127 . 9 1 1 A 90 90 VAL CA C 90 66.833 66.214 0.619 1
1 1128 . 9 1 1 A 90 90 VAL CB C 90 31.330 31.832 -0.502 1
1 1131 . 9 1 1 A 90 90 VAL N N 90 122.696 122.470 0.226 1
1 1132 . 9 1 1 A 91 91 SER H H 91 8.134 8.139 -0.005 1
1 1133 . 9 1 1 A 91 91 SER HA H 91 4.280 4.306 -0.026 1
1 1136 . 9 1 1 A 91 91 SER C C 91 175.328 175.294 0.034 1
1 1137 . 9 1 1 A 91 91 SER CA C 91 59.822 60.293 -0.471 1
1 1138 . 9 1 1 A 91 91 SER CB C 91 62.512 62.896 -0.384 1
1 1139 . 9 1 1 A 91 91 SER N N 91 112.443 114.156 -1.713 1
1 1140 . 9 1 1 A 92 92 GLU H H 92 7.598 7.905 -0.307 1
1 1141 . 9 1 1 A 92 92 GLU HA H 92 4.221 4.400 -0.179 1
1 1146 . 9 1 1 A 92 92 GLU C C 92 175.722 176.859 -1.137 1
1 1147 . 9 1 1 A 92 92 GLU CA C 92 56.594 56.692 -0.098 1
1 1148 . 9 1 1 A 92 92 GLU CB C 92 29.511 30.331 -0.820 1
1 1150 . 9 1 1 A 92 92 GLU N N 92 120.359 119.970 0.389 1
1 1151 . 9 1 1 A 93 93 VAL H H 93 7.486 7.330 0.156 1
1 1152 . 9 1 1 A 93 93 VAL HA H 93 4.046 4.014 0.032 1
1 1160 . 9 1 1 A 93 93 VAL C C 93 176.093 175.574 0.519 1
1 1161 . 9 1 1 A 93 93 VAL CA C 93 63.242 63.419 -0.177 1
1 1162 . 9 1 1 A 93 93 VAL CB C 93 32.306 31.597 0.709 1
1 1165 . 9 1 1 A 93 93 VAL N N 93 121.222 121.039 0.183 1
1 1166 . 9 1 1 A 94 94 THR H H 94 9.003 8.806 0.197 1
1 1167 . 9 1 1 A 94 94 THR HA H 94 4.264 4.150 0.114 1
1 1172 . 9 1 1 A 94 94 THR C C 94 174.664 174.701 -0.037 1
1 1173 . 9 1 1 A 94 94 THR CA C 94 64.438 64.478 -0.040 1
1 1174 . 9 1 1 A 94 94 THR CB C 94 69.317 69.266 0.051 1
1 1176 . 9 1 1 A 94 94 THR N N 94 124.794 122.612 2.182 1
1 1177 . 9 1 1 A 95 95 ARG H H 95 7.514 7.543 -0.029 1
1 1178 . 9 1 1 A 95 95 ARG HA H 95 4.646 4.730 -0.084 1
1 1186 . 9 1 1 A 95 95 ARG C C 95 172.989 173.908 -0.919 1
1 1187 . 9 1 1 A 95 95 ARG CA C 95 55.872 54.455 1.417 1
1 1188 . 9 1 1 A 95 95 ARG CB C 95 33.789 33.313 0.476 1
1 1191 . 9 1 1 A 95 95 ARG N N 95 118.660 114.471 4.189 1
1 1193 . 9 1 1 A 96 96 GLU H H 96 8.545 8.553 -0.008 1
1 1194 . 9 1 1 A 96 96 GLU HA H 96 5.329 4.806 0.523 1
1 1199 . 9 1 1 A 96 96 GLU C C 96 174.480 175.456 -0.976 1
1 1200 . 9 1 1 A 96 96 GLU CA C 96 53.415 54.681 -1.266 1
1 1201 . 9 1 1 A 96 96 GLU CB C 96 33.592 32.374 1.218 1
1 1203 . 9 1 1 A 96 96 GLU N N 96 121.828 121.299 0.529 1
1 1204 . 9 1 1 A 97 97 ALA H H 97 8.276 8.459 -0.183 1
1 1205 . 9 1 1 A 97 97 ALA HA H 97 4.537 4.719 -0.182 1
1 1209 . 9 1 1 A 97 97 ALA C C 97 175.233 175.994 -0.761 1
1 1210 . 9 1 1 A 97 97 ALA CA C 97 51.368 51.338 0.030 1
1 1211 . 9 1 1 A 97 97 ALA CB C 97 22.101 19.531 2.570 1
1 1212 . 9 1 1 A 97 97 ALA N N 97 123.211 120.671 2.540 1
1 1213 . 9 1 1 A 98 98 ASP H H 98 8.399 8.816 -0.417 1
1 1214 . 9 1 1 A 98 98 ASP HA H 98 4.850 4.766 0.084 1
1 1217 . 9 1 1 A 98 98 ASP C C 98 176.085 175.579 0.506 1
1 1218 . 9 1 1 A 98 98 ASP CA C 98 54.824 54.065 0.759 1
1 1219 . 9 1 1 A 98 98 ASP CB C 98 41.694 41.328 0.366 1
1 1220 . 9 1 1 A 98 98 ASP N N 98 122.093 123.464 -1.371 1
1 1221 . 9 1 1 A 99 99 LEU H H 99 7.854 8.786 -0.932 1
1 1222 . 9 1 1 A 99 99 LEU HA H 99 4.766 5.138 -0.372 1
1 1232 . 9 1 1 A 99 99 LEU C C 99 176.250 174.672 1.578 1
1 1233 . 9 1 1 A 99 99 LEU CA C 99 53.544 53.529 0.015 1
1 1234 . 9 1 1 A 99 99 LEU CB C 99 44.229 43.746 0.483 1
1 1238 . 9 1 1 A 99 99 LEU N N 99 120.272 120.858 -0.586 1
1 1239 . 9 1 1 A 100 100 ASP H H 100 9.215 9.109 0.106 1
1 1240 . 9 1 1 A 100 100 ASP HA H 100 4.935 5.150 -0.215 1
1 1243 . 9 1 1 A 100 100 ASP C C 100 174.956 175.615 -0.659 1
1 1244 . 9 1 1 A 100 100 ASP CA C 100 52.684 53.783 -1.099 1
1 1245 . 9 1 1 A 100 100 ASP CB C 100 43.362 42.346 1.016 1
1 1246 . 9 1 1 A 100 100 ASP N N 100 123.325 126.663 -3.338 1
1 1247 . 9 1 1 A 101 101 LEU H H 101 8.526 8.871 -0.345 1
1 1248 . 9 1 1 A 101 101 LEU HA H 101 4.639 4.922 -0.283 1
1 1258 . 9 1 1 A 101 101 LEU C C 101 178.204 174.679 3.525 1
1 1259 . 9 1 1 A 101 101 LEU CA C 101 53.490 53.308 0.182 1
1 1260 . 9 1 1 A 101 101 LEU CB C 101 44.374 44.776 -0.402 1
1 1264 . 9 1 1 A 101 101 LEU N N 101 118.539 120.820 -2.281 1
1 1265 . 9 1 1 A 102 102 ASP H H 102 8.029 8.676 -0.647 1
1 1266 . 9 1 1 A 102 102 ASP HA H 102 4.615 4.929 -0.314 1
1 1269 . 9 1 1 A 102 102 ASP C C 102 178.176 175.791 2.385 1
1 1270 . 9 1 1 A 102 102 ASP CA C 102 52.297 52.611 -0.314 1
1 1271 . 9 1 1 A 102 102 ASP CB C 102 41.108 42.408 -1.300 1
1 1272 . 9 1 1 A 102 102 ASP N N 102 121.008 116.990 4.018 1
1 1273 . 9 1 1 A 103 103 ALA H H 103 8.384 8.783 -0.399 1
1 1274 . 9 1 1 A 103 103 ALA HA H 103 4.099 4.153 -0.054 1
1 1278 . 9 1 1 A 103 103 ALA C C 103 178.527 177.033 1.494 1
1 1279 . 9 1 1 A 103 103 ALA CA C 103 54.648 53.660 0.988 1
1 1280 . 9 1 1 A 103 103 ALA CB C 103 18.604 18.507 0.097 1
1 1281 . 9 1 1 A 103 103 ALA N N 103 120.139 120.333 -0.194 1
1 1282 . 9 1 1 A 104 104 ASP H H 104 8.033 7.884 0.149 1
1 1283 . 9 1 1 A 104 104 ASP HA H 104 4.811 4.846 -0.035 1
1 1286 . 9 1 1 A 104 104 ASP C C 104 176.113 178.035 -1.922 1
1 1287 . 9 1 1 A 104 104 ASP CA C 104 54.077 55.037 -0.960 1
1 1288 . 9 1 1 A 104 104 ASP CB C 104 41.899 43.021 -1.122 1
1 1289 . 9 1 1 A 104 104 ASP N N 104 116.590 116.732 -0.142 1
1 1290 . 9 1 1 A 105 105 GLY H H 105 8.196 8.498 -0.302 1
1 1291 . 9 1 1 A 105 105 GLY HA2 H 105 4.293 3.803 0.490 1
1 1292 . 9 1 1 A 105 105 GLY HA3 H 105 3.657 3.808 -0.151 1
1 1293 . 9 1 1 A 105 105 GLY C C 105 173.635 174.579 -0.944 1
1 1294 . 9 1 1 A 105 105 GLY CA C 105 45.741 47.455 -1.714 1
1 1295 . 9 1 1 A 105 105 GLY N N 105 107.882 108.198 -0.316 1
1 1296 . 9 1 1 A 106 106 VAL H H 106 8.886 7.878 1.008 1
1 1297 . 9 1 1 A 106 106 VAL HA H 106 4.082 4.276 -0.194 1
1 1305 . 9 1 1 A 106 106 VAL C C 106 175.529 175.021 0.508 1
1 1306 . 9 1 1 A 106 106 VAL CA C 106 61.360 63.452 -2.092 1
1 1307 . 9 1 1 A 106 106 VAL CB C 106 32.373 30.775 1.598 1
1 1310 . 9 1 1 A 106 106 VAL N N 106 125.585 114.887 10.698 1
1 1311 . 9 1 1 A 107 107 PRO HA H 107 4.737 4.419 0.318 1
1 1318 . 9 1 1 A 107 107 PRO C C 107 176.029 176.594 -0.565 1
1 1319 . 9 1 1 A 107 107 PRO CA C 107 62.674 63.448 -0.774 1
1 1320 . 9 1 1 A 107 107 PRO CB C 107 31.789 31.886 -0.097 1
1 1323 . 9 1 1 A 108 108 GLN H H 108 8.563 8.720 -0.157 1
1 1324 . 9 1 1 A 108 108 GLN HA H 108 4.498 4.512 -0.014 1
1 1331 . 9 1 1 A 108 108 GLN C C 108 176.218 175.764 0.454 1
1 1332 . 9 1 1 A 108 108 GLN CA C 108 54.901 54.879 0.022 1
1 1333 . 9 1 1 A 108 108 GLN CB C 108 29.514 26.883 2.631 1
1 1336 . 9 1 1 A 108 108 GLN N N 108 122.641 123.085 -0.444 1
1 1338 . 9 1 1 A 109 109 LEU H H 109 8.853 8.254 0.599 1
1 1339 . 9 1 1 A 109 109 LEU HA H 109 4.330 4.564 -0.234 1
1 1349 . 9 1 1 A 109 109 LEU C C 109 178.151 178.747 -0.596 1
1 1350 . 9 1 1 A 109 109 LEU CA C 109 56.522 55.201 1.321 1
1 1351 . 9 1 1 A 109 109 LEU CB C 109 41.883 42.409 -0.526 1
1 1355 . 9 1 1 A 109 109 LEU N N 109 125.974 124.734 1.240 1
1 1356 . 9 1 1 A 110 110 GLY H H 110 8.809 8.299 0.510 1
1 1357 . 9 1 1 A 110 110 GLY HA2 H 110 3.952 3.865 0.087 1
1 1358 . 9 1 1 A 110 110 GLY HA3 H 110 3.551 3.870 -0.319 1
1 1359 . 9 1 1 A 110 110 GLY C C 110 176.002 174.805 1.197 1
1 1360 . 9 1 1 A 110 110 GLY CA C 110 48.748 46.843 1.905 1
1 1361 . 9 1 1 A 110 110 GLY N N 110 109.442 106.696 2.746 1
1 1362 . 9 1 1 A 111 111 ASP H H 111 8.674 8.188 0.486 1
1 1363 . 9 1 1 A 111 111 ASP HA H 111 4.317 4.444 -0.127 1
1 1366 . 9 1 1 A 111 111 ASP C C 111 177.159 176.601 0.558 1
1 1367 . 9 1 1 A 111 111 ASP CA C 111 56.239 54.304 1.935 1
1 1368 . 9 1 1 A 111 111 ASP CB C 111 39.791 40.403 -0.612 1
1 1369 . 9 1 1 A 111 111 ASP N N 111 119.503 118.280 1.223 1
1 1370 . 9 1 1 A 112 112 HIS H H 112 7.471 7.963 -0.492 1
1 1371 . 9 1 1 A 112 112 HIS HA H 112 4.481 4.586 -0.105 1
1 1376 . 9 1 1 A 112 112 HIS C C 112 177.121 175.579 1.542 1
1 1377 . 9 1 1 A 112 112 HIS CA C 112 56.692 57.219 -0.527 1
1 1378 . 9 1 1 A 112 112 HIS CB C 112 31.648 31.002 0.646 1
1 1381 . 9 1 1 A 112 112 HIS N N 112 116.681 116.541 0.140 1
1 1382 . 9 1 1 A 113 113 LEU H H 113 7.526 7.370 0.156 1
1 1383 . 9 1 1 A 113 113 LEU HA H 113 4.148 4.705 -0.557 1
1 1393 . 9 1 1 A 113 113 LEU C C 113 177.363 177.659 -0.296 1
1 1394 . 9 1 1 A 113 113 LEU CA C 113 55.509 54.435 1.074 1
1 1395 . 9 1 1 A 113 113 LEU CB C 113 42.009 42.474 -0.465 1
1 1399 . 9 1 1 A 113 113 LEU N N 113 118.976 119.349 -0.373 1
1 1400 . 9 1 1 A 114 114 ALA H H 114 7.648 8.576 -0.928 1
1 1401 . 9 1 1 A 114 114 ALA HA H 114 4.227 4.481 -0.254 1
1 1405 . 9 1 1 A 114 114 ALA C C 114 177.692 177.393 0.299 1
1 1406 . 9 1 1 A 114 114 ALA CA C 114 52.828 51.907 0.921 1
1 1407 . 9 1 1 A 114 114 ALA CB C 114 18.497 19.400 -0.903 1
1 1408 . 9 1 1 A 114 114 ALA N N 114 121.893 123.459 -1.566 1
1 1409 . 9 1 1 A 115 115 LEU H H 115 7.764 7.377 0.387 1
1 1410 . 9 1 1 A 115 115 LEU HA H 115 4.146 4.373 -0.227 1
1 1420 . 9 1 1 A 115 115 LEU C C 115 177.819 176.113 1.706 1
1 1421 . 9 1 1 A 115 115 LEU CA C 115 55.771 54.550 1.221 1
1 1422 . 9 1 1 A 115 115 LEU CB C 115 42.000 40.651 1.349 1
1 1426 . 9 1 1 A 115 115 LEU N N 115 119.576 121.034 -1.458 1
1 12 . 10 1 1 A 2 2 THR HA H 2 3.833 4.739 -0.906 1
1 17 . 10 1 1 A 2 2 THR C C 2 170.665 172.105 -1.440 1
1 18 . 10 1 1 A 2 2 THR CA C 2 62.154 60.243 1.911 1
1 19 . 10 1 1 A 2 2 THR CB C 2 69.580 69.655 -0.075 1
1 21 . 10 1 1 A 3 3 LEU H H 3 9.068 8.622 0.446 1
1 22 . 10 1 1 A 3 3 LEU HA H 3 4.887 4.961 -0.074 1
1 32 . 10 1 1 A 3 3 LEU C C 3 175.859 176.140 -0.281 1
1 33 . 10 1 1 A 3 3 LEU CA C 3 54.426 53.422 1.004 1
1 34 . 10 1 1 A 3 3 LEU CB C 3 43.222 43.612 -0.390 1
1 38 . 10 1 1 A 3 3 LEU N N 3 129.030 123.556 5.474 1
1 39 . 10 1 1 A 4 4 ILE H H 4 8.897 8.959 -0.062 1
1 40 . 10 1 1 A 4 4 ILE HA H 4 4.753 5.022 -0.269 1
1 50 . 10 1 1 A 4 4 ILE C C 4 174.211 174.153 0.058 1
1 51 . 10 1 1 A 4 4 ILE CA C 4 59.998 59.169 0.829 1
1 52 . 10 1 1 A 4 4 ILE CB C 4 41.129 39.758 1.371 1
1 56 . 10 1 1 A 4 4 ILE N N 4 115.702 121.399 -5.697 1
1 57 . 10 1 1 A 5 5 TYR H H 5 9.050 9.326 -0.276 1
1 58 . 10 1 1 A 5 5 TYR HA H 5 5.770 5.526 0.244 1
1 65 . 10 1 1 A 5 5 TYR C C 5 175.987 173.946 2.041 1
1 66 . 10 1 1 A 5 5 TYR CA C 5 57.923 56.277 1.646 1
1 67 . 10 1 1 A 5 5 TYR CB C 5 42.963 41.749 1.214 1
1 72 . 10 1 1 A 5 5 TYR N N 5 114.414 122.065 -7.651 1
1 73 . 10 1 1 A 6 6 LYS H H 6 8.858 8.691 0.167 1
1 74 . 10 1 1 A 6 6 LYS HA H 6 4.813 4.974 -0.161 1
1 83 . 10 1 1 A 6 6 LYS C C 6 172.801 174.854 -2.053 1
1 84 . 10 1 1 A 6 6 LYS CA C 6 52.969 54.861 -1.892 1
1 85 . 10 1 1 A 6 6 LYS CB C 6 37.109 35.310 1.799 1
1 89 . 10 1 1 A 6 6 LYS N N 6 121.597 124.706 -3.109 1
1 90 . 10 1 1 A 7 7 ILE H H 7 8.277 8.953 -0.676 1
1 91 . 10 1 1 A 7 7 ILE HA H 7 4.702 5.019 -0.317 1
1 101 . 10 1 1 A 7 7 ILE C C 7 173.742 174.811 -1.069 1
1 102 . 10 1 1 A 7 7 ILE CA C 7 60.340 59.835 0.505 1
1 103 . 10 1 1 A 7 7 ILE CB C 7 38.941 39.185 -0.244 1
1 107 . 10 1 1 A 7 7 ILE N N 7 128.212 128.318 -0.106 1
1 108 . 10 1 1 A 8 8 LEU H H 8 8.627 8.380 0.247 1
1 109 . 10 1 1 A 8 8 LEU HA H 8 4.757 4.855 -0.098 1
1 119 . 10 1 1 A 8 8 LEU C C 8 173.661 175.470 -1.809 1
1 120 . 10 1 1 A 8 8 LEU CA C 8 54.530 53.408 1.122 1
1 121 . 10 1 1 A 8 8 LEU CB C 8 43.617 45.173 -1.556 1
1 125 . 10 1 1 A 8 8 LEU N N 8 126.590 124.232 2.358 1
1 126 . 10 1 1 A 9 9 SER H H 9 8.546 8.734 -0.188 1
1 127 . 10 1 1 A 9 9 SER HA H 9 4.765 4.795 -0.030 1
1 130 . 10 1 1 A 9 9 SER C C 9 175.160 175.275 -0.115 1
1 131 . 10 1 1 A 9 9 SER CA C 9 58.520 57.393 1.127 1
1 132 . 10 1 1 A 9 9 SER CB C 9 65.227 64.663 0.564 1
1 133 . 10 1 1 A 9 9 SER N N 9 115.543 115.162 0.381 1
1 134 . 10 1 1 A 10 10 ARG H H 10 9.080 9.123 -0.043 1
1 135 . 10 1 1 A 10 10 ARG HA H 10 4.037 4.048 -0.011 1
1 143 . 10 1 1 A 10 10 ARG C C 10 177.847 178.061 -0.214 1
1 144 . 10 1 1 A 10 10 ARG CA C 10 59.210 59.882 -0.672 1
1 145 . 10 1 1 A 10 10 ARG CB C 10 28.776 29.734 -0.958 1
1 148 . 10 1 1 A 10 10 ARG N N 10 123.688 122.413 1.275 1
1 150 . 10 1 1 A 11 11 ALA H H 11 8.753 8.258 0.495 1
1 151 . 10 1 1 A 11 11 ALA HA H 11 4.248 4.130 0.118 1
1 155 . 10 1 1 A 11 11 ALA C C 11 181.848 180.126 1.722 1
1 156 . 10 1 1 A 11 11 ALA CA C 11 55.483 55.116 0.367 1
1 157 . 10 1 1 A 11 11 ALA CB C 11 18.209 18.247 -0.038 1
1 158 . 10 1 1 A 11 11 ALA N N 11 119.698 122.036 -2.338 1
1 159 . 10 1 1 A 12 12 GLU H H 12 7.957 7.751 0.206 1
1 160 . 10 1 1 A 12 12 GLU HA H 12 4.183 4.132 0.051 1
1 165 . 10 1 1 A 12 12 GLU C C 12 179.576 179.017 0.559 1
1 166 . 10 1 1 A 12 12 GLU CA C 12 59.103 58.951 0.152 1
1 167 . 10 1 1 A 12 12 GLU CB C 12 31.077 29.533 1.544 1
1 169 . 10 1 1 A 12 12 GLU N N 12 118.210 117.661 0.549 1
1 170 . 10 1 1 A 13 13 TRP H H 13 8.585 8.397 0.188 1
1 171 . 10 1 1 A 13 13 TRP HA H 13 4.937 4.180 0.757 1
1 180 . 10 1 1 A 13 13 TRP C C 13 176.827 177.751 -0.924 1
1 181 . 10 1 1 A 13 13 TRP CA C 13 57.845 60.580 -2.735 1
1 182 . 10 1 1 A 13 13 TRP CB C 13 31.010 29.417 1.593 1
1 188 . 10 1 1 A 13 13 TRP N N 13 123.646 122.244 1.402 1
1 190 . 10 1 1 A 14 14 ASP H H 14 9.260 8.588 0.672 1
1 191 . 10 1 1 A 14 14 ASP HA H 14 4.048 4.062 -0.014 1
1 194 . 10 1 1 A 14 14 ASP C C 14 180.120 178.055 2.065 1
1 195 . 10 1 1 A 14 14 ASP CA C 14 57.767 57.506 0.261 1
1 196 . 10 1 1 A 14 14 ASP CB C 14 39.467 41.062 -1.595 1
1 197 . 10 1 1 A 14 14 ASP N N 14 120.253 119.072 1.181 1
1 198 . 10 1 1 A 15 15 ALA H H 15 7.599 7.690 -0.091 1
1 199 . 10 1 1 A 15 15 ALA HA H 15 4.163 4.104 0.059 1
1 203 . 10 1 1 A 15 15 ALA C C 15 180.115 179.511 0.604 1
1 204 . 10 1 1 A 15 15 ALA CA C 15 55.016 54.851 0.165 1
1 205 . 10 1 1 A 15 15 ALA CB C 15 17.871 18.394 -0.523 1
1 206 . 10 1 1 A 15 15 ALA N N 15 122.164 120.989 1.175 1
1 207 . 10 1 1 A 16 16 ALA H H 16 7.944 8.385 -0.441 1
1 208 . 10 1 1 A 16 16 ALA HA H 16 4.334 4.122 0.212 1
1 212 . 10 1 1 A 16 16 ALA C C 16 180.101 179.305 0.796 1
1 213 . 10 1 1 A 16 16 ALA CA C 16 54.659 55.015 -0.356 1
1 214 . 10 1 1 A 16 16 ALA CB C 16 19.107 18.713 0.394 1
1 215 . 10 1 1 A 16 16 ALA N N 16 122.526 119.711 2.815 1
1 216 . 10 1 1 A 17 17 LYS H H 17 8.317 7.882 0.435 1
1 217 . 10 1 1 A 17 17 LYS HA H 17 3.462 3.614 -0.152 1
1 226 . 10 1 1 A 17 17 LYS C C 17 179.126 178.238 0.888 1
1 227 . 10 1 1 A 17 17 LYS CA C 17 60.077 58.911 1.166 1
1 228 . 10 1 1 A 17 17 LYS CB C 17 31.431 31.927 -0.496 1
1 232 . 10 1 1 A 17 17 LYS N N 17 117.572 118.480 -0.908 1
1 233 . 10 1 1 A 18 18 ALA H H 18 7.296 8.267 -0.971 1
1 234 . 10 1 1 A 18 18 ALA HA H 18 4.100 3.963 0.137 1
1 238 . 10 1 1 A 18 18 ALA C C 18 178.940 179.631 -0.691 1
1 239 . 10 1 1 A 18 18 ALA CA C 18 54.513 54.766 -0.253 1
1 240 . 10 1 1 A 18 18 ALA CB C 18 18.132 18.113 0.019 1
1 241 . 10 1 1 A 18 18 ALA N N 18 119.644 120.590 -0.946 1
1 242 . 10 1 1 A 19 19 GLN H H 19 7.443 7.860 -0.417 1
1 243 . 10 1 1 A 19 19 GLN HA H 19 4.535 4.220 0.315 1
1 250 . 10 1 1 A 19 19 GLN C C 19 176.607 176.744 -0.137 1
1 251 . 10 1 1 A 19 19 GLN CA C 19 55.755 55.974 -0.219 1
1 252 . 10 1 1 A 19 19 GLN CB C 19 30.075 29.003 1.072 1
1 255 . 10 1 1 A 19 19 GLN N N 19 113.538 115.136 -1.598 1
1 257 . 10 1 1 A 20 20 GLY H H 20 8.277 8.983 -0.706 1
1 258 . 10 1 1 A 20 20 GLY HA2 H 20 4.450 3.807 0.643 1
1 259 . 10 1 1 A 20 20 GLY HA3 H 20 3.627 3.831 -0.204 1
1 260 . 10 1 1 A 20 20 GLY C C 20 174.006 173.458 0.548 1
1 261 . 10 1 1 A 20 20 GLY CA C 20 45.567 45.634 -0.067 1
1 262 . 10 1 1 A 20 20 GLY N N 20 108.233 109.247 -1.014 1
1 263 . 10 1 1 A 21 21 ARG H H 21 7.786 7.555 0.231 1
1 264 . 10 1 1 A 21 21 ARG HA H 21 5.123 4.916 0.207 1
1 272 . 10 1 1 A 21 21 ARG C C 21 171.553 174.108 -2.555 1
1 273 . 10 1 1 A 21 21 ARG CA C 21 54.882 54.038 0.844 1
1 274 . 10 1 1 A 21 21 ARG CB C 21 32.114 34.063 -1.949 1
1 277 . 10 1 1 A 21 21 ARG N N 21 116.837 119.955 -3.118 1
1 279 . 10 1 1 A 22 22 PHE H H 22 9.821 9.382 0.439 1
1 280 . 10 1 1 A 22 22 PHE HA H 22 5.185 5.131 0.054 1
1 285 . 10 1 1 A 22 22 PHE C C 22 173.825 174.770 -0.945 1
1 286 . 10 1 1 A 22 22 PHE CA C 22 54.913 56.448 -1.535 1
1 287 . 10 1 1 A 22 22 PHE CB C 22 41.568 40.372 1.196 1
1 290 . 10 1 1 A 22 22 PHE N N 22 121.680 124.595 -2.915 1
1 291 . 10 1 1 A 23 23 GLU H H 23 9.053 8.488 0.565 1
1 292 . 10 1 1 A 23 23 GLU HA H 23 3.893 4.457 -0.564 1
1 297 . 10 1 1 A 23 23 GLU C C 23 174.856 176.796 -1.940 1
1 298 . 10 1 1 A 23 23 GLU CA C 23 56.781 55.287 1.494 1
1 299 . 10 1 1 A 23 23 GLU CB C 23 29.990 30.890 -0.900 1
1 301 . 10 1 1 A 23 23 GLU N N 23 125.059 126.577 -1.518 1
1 302 . 10 1 1 A 24 24 GLY HA2 H 24 4.212 3.842 0.370 1
1 303 . 10 1 1 A 24 24 GLY HA3 H 24 3.112 3.885 -0.773 1
1 304 . 10 1 1 A 24 24 GLY C C 24 173.311 174.079 -0.768 1
1 305 . 10 1 1 A 24 24 GLY CA C 24 45.104 45.568 -0.464 1
1 306 . 10 1 1 A 25 25 SER H H 25 9.877 8.390 1.487 1
1 307 . 10 1 1 A 25 25 SER HA H 25 4.884 4.530 0.354 1
1 310 . 10 1 1 A 25 25 SER C C 25 173.788 175.618 -1.830 1
1 311 . 10 1 1 A 25 25 SER CA C 25 57.549 57.629 -0.080 1
1 312 . 10 1 1 A 25 25 SER CB C 25 65.383 65.348 0.035 1
1 313 . 10 1 1 A 25 25 SER N N 25 121.073 119.381 1.692 1
1 314 . 10 1 1 A 26 26 ALA H H 26 9.097 8.996 0.101 1
1 315 . 10 1 1 A 26 26 ALA HA H 26 3.964 3.968 -0.004 1
1 319 . 10 1 1 A 26 26 ALA C C 26 181.102 179.729 1.373 1
1 320 . 10 1 1 A 26 26 ALA CA C 26 56.670 55.357 1.313 1
1 321 . 10 1 1 A 26 26 ALA CB C 26 17.927 18.330 -0.403 1
1 322 . 10 1 1 A 26 26 ALA N N 26 123.398 123.488 -0.090 1
1 323 . 10 1 1 A 27 27 VAL H H 27 7.928 7.352 0.576 1
1 324 . 10 1 1 A 27 27 VAL HA H 27 3.593 3.509 0.084 1
1 332 . 10 1 1 A 27 27 VAL C C 27 176.628 177.839 -1.211 1
1 333 . 10 1 1 A 27 27 VAL CA C 27 65.257 66.976 -1.719 1
1 334 . 10 1 1 A 27 27 VAL CB C 27 31.688 31.476 0.212 1
1 337 . 10 1 1 A 27 27 VAL N N 27 117.697 117.828 -0.131 1
1 338 . 10 1 1 A 28 28 ASP H H 28 6.927 7.934 -1.007 1
1 339 . 10 1 1 A 28 28 ASP HA H 28 4.512 4.818 -0.306 1
1 342 . 10 1 1 A 28 28 ASP C C 28 178.402 179.163 -0.761 1
1 343 . 10 1 1 A 28 28 ASP CA C 28 56.586 57.396 -0.810 1
1 344 . 10 1 1 A 28 28 ASP CB C 28 41.317 40.819 0.498 1
1 345 . 10 1 1 A 28 28 ASP N N 28 121.516 120.967 0.549 1
1 346 . 10 1 1 A 29 29 LEU H H 29 8.309 8.448 -0.139 1
1 347 . 10 1 1 A 29 29 LEU HA H 29 3.764 4.091 -0.327 1
1 357 . 10 1 1 A 29 29 LEU C C 29 180.093 179.191 0.902 1
1 358 . 10 1 1 A 29 29 LEU CA C 29 57.091 57.379 -0.288 1
1 359 . 10 1 1 A 29 29 LEU CB C 29 41.418 41.155 0.263 1
1 363 . 10 1 1 A 29 29 LEU N N 29 118.648 120.491 -1.843 1
1 364 . 10 1 1 A 30 30 ALA H H 30 7.458 8.027 -0.569 1
1 365 . 10 1 1 A 30 30 ALA HA H 30 4.000 3.938 0.062 1
1 369 . 10 1 1 A 30 30 ALA C C 30 179.371 179.463 -0.092 1
1 370 . 10 1 1 A 30 30 ALA CA C 30 54.526 55.738 -1.212 1
1 371 . 10 1 1 A 30 30 ALA CB C 30 18.102 18.090 0.012 1
1 372 . 10 1 1 A 30 30 ALA N N 30 120.814 122.851 -2.037 1
1 373 . 10 1 1 A 31 31 ASP H H 31 7.682 7.676 0.006 1
1 374 . 10 1 1 A 31 31 ASP HA H 31 4.410 4.352 0.058 1
1 377 . 10 1 1 A 31 31 ASP C C 31 176.610 175.664 0.946 1
1 378 . 10 1 1 A 31 31 ASP CA C 31 55.271 54.008 1.263 1
1 379 . 10 1 1 A 31 31 ASP CB C 31 40.083 40.659 -0.576 1
1 380 . 10 1 1 A 31 31 ASP N N 31 117.191 115.669 1.522 1
1 381 . 10 1 1 A 32 32 GLY H H 32 7.909 8.152 -0.243 1
1 382 . 10 1 1 A 32 32 GLY HA2 H 32 4.090 3.694 0.396 1
1 383 . 10 1 1 A 32 32 GLY HA3 H 32 3.597 3.776 -0.179 1
1 384 . 10 1 1 A 32 32 GLY C C 32 173.168 173.328 -0.160 1
1 385 . 10 1 1 A 32 32 GLY CA C 32 45.112 45.014 0.098 1
1 386 . 10 1 1 A 32 32 GLY N N 32 106.983 106.537 0.446 1
1 387 . 10 1 1 A 33 33 PHE H H 33 7.233 6.881 0.352 1
1 388 . 10 1 1 A 33 33 PHE HA H 33 4.212 5.115 -0.903 1
1 396 . 10 1 1 A 33 33 PHE C C 33 171.389 173.963 -2.574 1
1 397 . 10 1 1 A 33 33 PHE CA C 33 55.383 55.394 -0.011 1
1 398 . 10 1 1 A 33 33 PHE CB C 33 37.177 41.750 -4.573 1
1 404 . 10 1 1 A 33 33 PHE N N 33 115.364 114.568 0.796 1
1 405 . 10 1 1 A 34 34 ILE H H 34 8.637 8.952 -0.315 1
1 406 . 10 1 1 A 34 34 ILE HA H 34 3.817 4.156 -0.339 1
1 416 . 10 1 1 A 34 34 ILE C C 34 177.018 176.501 0.517 1
1 417 . 10 1 1 A 34 34 ILE CA C 34 60.724 62.122 -1.398 1
1 418 . 10 1 1 A 34 34 ILE CB C 34 39.266 38.023 1.243 1
1 422 . 10 1 1 A 34 34 ILE N N 34 114.086 121.715 -7.629 1
1 423 . 10 1 1 A 35 35 HIS H H 35 9.203 9.316 -0.113 1
1 424 . 10 1 1 A 35 35 HIS HA H 35 4.448 4.908 -0.460 1
1 428 . 10 1 1 A 35 35 HIS C C 35 175.740 174.807 0.933 1
1 429 . 10 1 1 A 35 35 HIS CA C 35 57.757 55.783 1.974 1
1 430 . 10 1 1 A 35 35 HIS CB C 35 29.758 30.670 -0.912 1
1 432 . 10 1 1 A 35 35 HIS N N 35 127.988 126.172 1.816 1
1 433 . 10 1 1 A 36 36 LEU H H 36 8.454 8.941 -0.487 1
1 434 . 10 1 1 A 36 36 LEU HA H 36 5.190 4.411 0.779 1
1 444 . 10 1 1 A 36 36 LEU C C 36 174.813 177.244 -2.431 1
1 445 . 10 1 1 A 36 36 LEU CA C 36 56.019 55.981 0.038 1
1 446 . 10 1 1 A 36 36 LEU CB C 36 44.541 43.151 1.390 1
1 450 . 10 1 1 A 36 36 LEU N N 36 126.075 124.676 1.399 1
1 451 . 10 1 1 A 37 37 SER H H 37 9.128 7.987 1.141 1
1 452 . 10 1 1 A 37 37 SER HA H 37 5.277 4.564 0.713 1
1 455 . 10 1 1 A 37 37 SER C C 37 174.433 172.655 1.778 1
1 456 . 10 1 1 A 37 37 SER CA C 37 57.990 58.630 -0.640 1
1 457 . 10 1 1 A 37 37 SER CB C 37 66.778 63.656 3.122 1
1 458 . 10 1 1 A 37 37 SER N N 37 112.795 113.360 -0.565 1
1 459 . 10 1 1 A 38 38 ALA H H 38 9.665 8.539 1.126 1
1 460 . 10 1 1 A 38 38 ALA HA H 38 4.973 4.817 0.156 1
1 464 . 10 1 1 A 38 38 ALA C C 38 179.640 178.392 1.248 1
1 465 . 10 1 1 A 38 38 ALA CA C 38 52.303 50.582 1.721 1
1 466 . 10 1 1 A 38 38 ALA CB C 38 19.350 21.450 -2.100 1
1 467 . 10 1 1 A 38 38 ALA N N 38 127.103 124.490 2.613 1
1 468 . 10 1 1 A 39 39 GLY H H 39 10.159 8.636 1.523 1
1 469 . 10 1 1 A 39 39 GLY HA2 H 39 4.249 3.728 0.521 1
1 470 . 10 1 1 A 39 39 GLY HA3 H 39 3.720 3.801 -0.081 1
1 471 . 10 1 1 A 39 39 GLY C C 39 176.229 175.662 0.567 1
1 472 . 10 1 1 A 39 39 GLY CA C 39 49.163 47.520 1.643 1
1 473 . 10 1 1 A 39 39 GLY N N 39 112.007 106.419 5.588 1
1 474 . 10 1 1 A 40 40 GLU H H 40 9.367 8.428 0.939 1
1 475 . 10 1 1 A 40 40 GLU HA H 40 4.234 3.994 0.240 1
1 480 . 10 1 1 A 40 40 GLU C C 40 176.417 179.107 -2.690 1
1 481 . 10 1 1 A 40 40 GLU CA C 40 58.622 59.488 -0.866 1
1 482 . 10 1 1 A 40 40 GLU CB C 40 28.796 29.508 -0.712 1
1 484 . 10 1 1 A 40 40 GLU N N 40 117.243 121.611 -4.368 1
1 485 . 10 1 1 A 41 41 GLN H H 41 7.503 8.169 -0.666 1
1 486 . 10 1 1 A 41 41 GLN HA H 41 4.752 4.199 0.553 1
1 493 . 10 1 1 A 41 41 GLN C C 41 177.730 178.599 -0.869 1
1 494 . 10 1 1 A 41 41 GLN CA C 41 55.626 58.127 -2.501 1
1 495 . 10 1 1 A 41 41 GLN CB C 41 30.653 28.290 2.363 1
1 498 . 10 1 1 A 41 41 GLN N N 41 115.837 118.145 -2.308 1
1 500 . 10 1 1 A 42 42 ALA H H 42 7.519 8.541 -1.022 1
1 501 . 10 1 1 A 42 42 ALA HA H 42 3.927 4.123 -0.196 1
1 505 . 10 1 1 A 42 42 ALA C C 42 177.826 179.182 -1.356 1
1 506 . 10 1 1 A 42 42 ALA CA C 42 56.706 55.573 1.133 1
1 507 . 10 1 1 A 42 42 ALA CB C 42 18.247 18.255 -0.008 1
1 508 . 10 1 1 A 42 42 ALA N N 42 123.105 122.589 0.516 1
1 509 . 10 1 1 A 43 43 GLN H H 43 9.203 7.989 1.214 1
1 510 . 10 1 1 A 43 43 GLN HA H 43 3.942 4.013 -0.071 1
1 517 . 10 1 1 A 43 43 GLN C C 43 177.913 178.138 -0.225 1
1 518 . 10 1 1 A 43 43 GLN CA C 43 58.678 59.286 -0.608 1
1 519 . 10 1 1 A 43 43 GLN CB C 43 28.815 28.468 0.347 1
1 522 . 10 1 1 A 43 43 GLN N N 43 118.650 117.878 0.772 1
1 524 . 10 1 1 A 44 44 GLU H H 44 8.611 8.001 0.610 1
1 525 . 10 1 1 A 44 44 GLU HA H 44 4.207 4.078 0.129 1
1 530 . 10 1 1 A 44 44 GLU C C 44 179.090 179.362 -0.272 1
1 531 . 10 1 1 A 44 44 GLU CA C 44 59.246 59.292 -0.046 1
1 532 . 10 1 1 A 44 44 GLU CB C 44 28.850 29.609 -0.759 1
1 534 . 10 1 1 A 44 44 GLU N N 44 122.042 119.446 2.596 1
1 535 . 10 1 1 A 45 45 THR H H 45 8.292 8.845 -0.553 1
1 536 . 10 1 1 A 45 45 THR HA H 45 4.123 4.234 -0.111 1
1 541 . 10 1 1 A 45 45 THR C C 45 176.228 177.018 -0.790 1
1 542 . 10 1 1 A 45 45 THR CA C 45 66.902 66.293 0.609 1
1 543 . 10 1 1 A 45 45 THR CB C 45 68.949 68.784 0.165 1
1 545 . 10 1 1 A 45 45 THR N N 45 117.583 115.532 2.051 1
1 546 . 10 1 1 A 46 46 ALA H H 46 8.275 8.632 -0.357 1
1 547 . 10 1 1 A 46 46 ALA HA H 46 4.255 4.306 -0.051 1
1 551 . 10 1 1 A 46 46 ALA C C 46 178.630 180.058 -1.428 1
1 552 . 10 1 1 A 46 46 ALA CA C 46 55.406 55.735 -0.329 1
1 553 . 10 1 1 A 46 46 ALA CB C 46 18.482 18.148 0.334 1
1 554 . 10 1 1 A 46 46 ALA N N 46 123.184 123.292 -0.108 1
1 555 . 10 1 1 A 47 47 ALA H H 47 8.066 8.099 -0.033 1
1 556 . 10 1 1 A 47 47 ALA HA H 47 3.953 4.132 -0.179 1
1 560 . 10 1 1 A 47 47 ALA C C 47 178.552 179.802 -1.250 1
1 561 . 10 1 1 A 47 47 ALA CA C 47 55.030 54.993 0.037 1
1 562 . 10 1 1 A 47 47 ALA CB C 47 18.899 18.402 0.497 1
1 563 . 10 1 1 A 47 47 ALA N N 47 117.129 121.119 -3.990 1
1 564 . 10 1 1 A 48 48 LYS H H 48 8.089 7.997 0.092 1
1 565 . 10 1 1 A 48 48 LYS HA H 48 3.936 4.049 -0.113 1
1 574 . 10 1 1 A 48 48 LYS C C 48 179.130 178.567 0.563 1
1 575 . 10 1 1 A 48 48 LYS CA C 48 58.560 58.742 -0.182 1
1 576 . 10 1 1 A 48 48 LYS CB C 48 33.122 32.864 0.258 1
1 580 . 10 1 1 A 48 48 LYS N N 48 115.322 117.625 -2.303 1
1 581 . 10 1 1 A 49 49 TRP H H 49 7.978 7.972 0.006 1
1 582 . 10 1 1 A 49 49 TRP HA H 49 4.807 4.347 0.460 1
1 591 . 10 1 1 A 49 49 TRP C C 49 176.923 177.059 -0.136 1
1 592 . 10 1 1 A 49 49 TRP CA C 49 57.157 58.784 -1.627 1
1 593 . 10 1 1 A 49 49 TRP CB C 49 31.461 30.278 1.183 1
1 599 . 10 1 1 A 49 49 TRP N N 49 114.492 118.427 -3.935 1
1 601 . 10 1 1 A 50 50 PHE H H 50 7.740 7.657 0.083 1
1 602 . 10 1 1 A 50 50 PHE HA H 50 4.925 4.954 -0.029 1
1 608 . 10 1 1 A 50 50 PHE C C 50 174.160 176.209 -2.049 1
1 609 . 10 1 1 A 50 50 PHE CA C 50 57.772 57.168 0.604 1
1 610 . 10 1 1 A 50 50 PHE CB C 50 39.610 38.662 0.948 1
1 614 . 10 1 1 A 50 50 PHE N N 50 116.540 115.984 0.556 1
1 615 . 10 1 1 A 51 51 ARG H H 51 7.389 7.968 -0.579 1
1 616 . 10 1 1 A 51 51 ARG HA H 51 4.198 4.043 0.155 1
1 624 . 10 1 1 A 51 51 ARG C C 51 179.130 177.586 1.544 1
1 625 . 10 1 1 A 51 51 ARG CA C 51 58.224 58.902 -0.678 1
1 626 . 10 1 1 A 51 51 ARG CB C 51 30.032 30.106 -0.074 1
1 629 . 10 1 1 A 51 51 ARG N N 51 119.136 121.254 -2.118 1
1 631 . 10 1 1 A 52 52 GLY H H 52 10.264 7.721 2.543 1
1 632 . 10 1 1 A 52 52 GLY HA2 H 52 4.180 4.064 0.116 1
1 633 . 10 1 1 A 52 52 GLY HA3 H 52 3.745 4.076 -0.331 1
1 634 . 10 1 1 A 52 52 GLY C C 52 173.980 173.747 0.233 1
1 635 . 10 1 1 A 52 52 GLY CA C 52 45.517 45.793 -0.276 1
1 636 . 10 1 1 A 52 52 GLY N N 52 114.192 105.518 8.674 1
1 637 . 10 1 1 A 53 53 GLN H H 53 7.597 7.752 -0.155 1
1 638 . 10 1 1 A 53 53 GLN HA H 53 4.437 4.477 -0.040 1
1 645 . 10 1 1 A 53 53 GLN C C 53 172.934 175.688 -2.754 1
1 646 . 10 1 1 A 53 53 GLN CA C 53 56.280 56.068 0.212 1
1 647 . 10 1 1 A 53 53 GLN CB C 53 29.123 29.507 -0.384 1
1 650 . 10 1 1 A 53 53 GLN N N 53 120.438 119.481 0.957 1
1 652 . 10 1 1 A 54 54 ALA H H 54 8.190 8.616 -0.426 1
1 653 . 10 1 1 A 54 54 ALA HA H 54 4.344 4.335 0.009 1
1 657 . 10 1 1 A 54 54 ALA C C 54 177.278 177.255 0.023 1
1 658 . 10 1 1 A 54 54 ALA CA C 54 51.377 51.609 -0.232 1
1 659 . 10 1 1 A 54 54 ALA CB C 54 20.525 17.273 3.252 1
1 660 . 10 1 1 A 54 54 ALA N N 54 124.528 128.965 -4.437 1
1 661 . 10 1 1 A 55 55 ASN H H 55 8.903 7.801 1.102 1
1 662 . 10 1 1 A 55 55 ASN HA H 55 4.598 4.954 -0.356 1
1 667 . 10 1 1 A 55 55 ASN C C 55 174.075 175.110 -1.035 1
1 668 . 10 1 1 A 55 55 ASN CA C 55 53.986 52.457 1.529 1
1 669 . 10 1 1 A 55 55 ASN CB C 55 37.654 39.468 -1.814 1
1 671 . 10 1 1 A 55 55 ASN N N 55 113.776 116.941 -3.165 1
1 673 . 10 1 1 A 56 56 LEU H H 56 8.543 7.488 1.055 1
1 674 . 10 1 1 A 56 56 LEU HA H 56 4.677 4.135 0.542 1
1 684 . 10 1 1 A 56 56 LEU C C 56 176.806 176.141 0.665 1
1 685 . 10 1 1 A 56 56 LEU CA C 56 54.383 54.380 0.003 1
1 686 . 10 1 1 A 56 56 LEU CB C 56 45.328 42.710 2.618 1
1 690 . 10 1 1 A 56 56 LEU N N 56 117.411 122.757 -5.346 1
1 691 . 10 1 1 A 57 57 VAL H H 57 9.207 8.755 0.452 1
1 692 . 10 1 1 A 57 57 VAL HA H 57 4.633 4.770 -0.137 1
1 700 . 10 1 1 A 57 57 VAL C C 57 172.465 173.919 -1.454 1
1 701 . 10 1 1 A 57 57 VAL CA C 57 59.970 60.446 -0.476 1
1 702 . 10 1 1 A 57 57 VAL CB C 57 35.376 34.415 0.961 1
1 705 . 10 1 1 A 57 57 VAL N N 57 121.448 123.536 -2.088 1
1 706 . 10 1 1 A 58 58 LEU H H 58 8.855 8.990 -0.135 1
1 707 . 10 1 1 A 58 58 LEU HA H 58 4.763 4.792 -0.029 1
1 717 . 10 1 1 A 58 58 LEU C C 58 175.349 174.532 0.817 1
1 718 . 10 1 1 A 58 58 LEU CA C 58 52.286 53.616 -1.330 1
1 719 . 10 1 1 A 58 58 LEU CB C 58 46.390 43.385 3.005 1
1 723 . 10 1 1 A 58 58 LEU N N 58 124.476 129.912 -5.436 1
1 724 . 10 1 1 A 59 59 LEU H H 59 9.265 9.096 0.169 1
1 725 . 10 1 1 A 59 59 LEU HA H 59 4.714 4.551 0.163 1
1 735 . 10 1 1 A 59 59 LEU C C 59 175.262 175.141 0.121 1
1 736 . 10 1 1 A 59 59 LEU CA C 59 52.753 53.795 -1.042 1
1 737 . 10 1 1 A 59 59 LEU CB C 59 42.431 41.383 1.048 1
1 741 . 10 1 1 A 59 59 LEU N N 59 125.973 128.949 -2.976 1
1 742 . 10 1 1 A 60 60 ALA H H 60 8.331 9.007 -0.676 1
1 743 . 10 1 1 A 60 60 ALA HA H 60 4.739 4.668 0.071 1
1 747 . 10 1 1 A 60 60 ALA C C 60 175.631 176.452 -0.821 1
1 748 . 10 1 1 A 60 60 ALA CA C 60 50.320 50.670 -0.350 1
1 749 . 10 1 1 A 60 60 ALA CB C 60 21.744 20.325 1.419 1
1 750 . 10 1 1 A 60 60 ALA N N 60 124.617 128.529 -3.912 1
1 751 . 10 1 1 A 61 61 VAL H H 61 8.944 8.459 0.485 1
1 752 . 10 1 1 A 61 61 VAL HA H 61 4.244 4.515 -0.271 1
1 760 . 10 1 1 A 61 61 VAL C C 61 174.674 174.775 -0.101 1
1 761 . 10 1 1 A 61 61 VAL CA C 61 60.770 60.318 0.452 1
1 762 . 10 1 1 A 61 61 VAL CB C 61 36.636 35.414 1.222 1
1 765 . 10 1 1 A 61 61 VAL N N 61 124.079 122.599 1.480 1
1 766 . 10 1 1 A 62 62 GLU H H 62 8.490 8.460 0.030 1
1 767 . 10 1 1 A 62 62 GLU HA H 62 4.551 4.315 0.236 1
1 772 . 10 1 1 A 62 62 GLU C C 62 177.700 176.546 1.154 1
1 773 . 10 1 1 A 62 62 GLU CA C 62 56.879 56.618 0.261 1
1 774 . 10 1 1 A 62 62 GLU CB C 62 29.372 30.425 -1.053 1
1 776 . 10 1 1 A 62 62 GLU N N 62 127.752 126.121 1.631 1
1 777 . 10 1 1 A 63 63 ALA H H 63 9.173 9.104 0.069 1
1 778 . 10 1 1 A 63 63 ALA HA H 63 3.991 4.005 -0.014 1
1 782 . 10 1 1 A 63 63 ALA C C 63 180.311 177.780 2.531 1
1 783 . 10 1 1 A 63 63 ALA CA C 63 54.850 55.542 -0.692 1
1 784 . 10 1 1 A 63 63 ALA CB C 63 19.495 18.934 0.561 1
1 785 . 10 1 1 A 63 63 ALA N N 63 127.466 125.669 1.797 1
1 786 . 10 1 1 A 64 64 GLU H H 64 9.571 7.975 1.596 1
1 787 . 10 1 1 A 64 64 GLU HA H 64 4.146 4.413 -0.267 1
1 792 . 10 1 1 A 64 64 GLU C C 64 177.102 177.222 -0.120 1
1 793 . 10 1 1 A 64 64 GLU CA C 64 63.532 58.341 5.191 1
1 794 . 10 1 1 A 64 64 GLU CB C 64 25.742 28.501 -2.759 1
1 796 . 10 1 1 A 64 64 GLU N N 64 120.368 114.250 6.118 1
1 797 . 10 1 1 A 65 65 PRO HA H 65 4.440 4.332 0.108 1
1 804 . 10 1 1 A 65 65 PRO C C 65 177.332 178.295 -0.963 1
1 805 . 10 1 1 A 65 65 PRO CA C 65 64.973 66.158 -1.185 1
1 806 . 10 1 1 A 65 65 PRO CB C 65 31.341 31.524 -0.183 1
1 809 . 10 1 1 A 66 66 LEU H H 66 7.412 8.313 -0.901 1
1 810 . 10 1 1 A 66 66 LEU HA H 66 4.023 4.020 0.003 1
1 820 . 10 1 1 A 66 66 LEU C C 66 178.533 176.487 2.046 1
1 821 . 10 1 1 A 66 66 LEU CA C 66 55.861 55.656 0.205 1
1 822 . 10 1 1 A 66 66 LEU CB C 66 41.349 39.761 1.588 1
1 826 . 10 1 1 A 66 66 LEU N N 66 114.991 116.228 -1.237 1
1 827 . 10 1 1 A 67 67 GLY H H 67 7.733 8.431 -0.698 1
1 828 . 10 1 1 A 67 67 GLY HA2 H 67 4.018 4.139 -0.121 1
1 829 . 10 1 1 A 67 67 GLY HA3 H 67 3.909 4.140 -0.231 1
1 830 . 10 1 1 A 67 67 GLY C C 67 175.925 175.125 0.800 1
1 831 . 10 1 1 A 67 67 GLY CA C 67 46.054 44.691 1.363 1
1 832 . 10 1 1 A 67 67 GLY N N 67 104.242 107.740 -3.498 1
1 833 . 10 1 1 A 68 68 GLU H H 68 8.887 8.971 -0.084 1
1 834 . 10 1 1 A 68 68 GLU HA H 68 4.219 4.252 -0.033 1
1 839 . 10 1 1 A 68 68 GLU C C 68 176.314 177.777 -1.463 1
1 840 . 10 1 1 A 68 68 GLU CA C 68 57.652 58.303 -0.651 1
1 841 . 10 1 1 A 68 68 GLU CB C 68 29.306 29.224 0.082 1
1 843 . 10 1 1 A 68 68 GLU N N 68 121.253 121.806 -0.553 1
1 844 . 10 1 1 A 69 69 ASP H H 69 7.630 8.085 -0.455 1
1 845 . 10 1 1 A 69 69 ASP HA H 69 4.587 4.661 -0.074 1
1 848 . 10 1 1 A 69 69 ASP C C 69 174.665 176.861 -2.196 1
1 849 . 10 1 1 A 69 69 ASP CA C 69 56.078 57.170 -1.092 1
1 850 . 10 1 1 A 69 69 ASP CB C 69 41.572 40.303 1.269 1
1 851 . 10 1 1 A 69 69 ASP N N 69 116.486 118.726 -2.240 1
1 852 . 10 1 1 A 70 70 LEU H H 70 7.433 7.255 0.178 1
1 853 . 10 1 1 A 70 70 LEU HA H 70 4.854 4.402 0.452 1
1 863 . 10 1 1 A 70 70 LEU C C 70 174.259 175.478 -1.219 1
1 864 . 10 1 1 A 70 70 LEU CA C 70 53.281 54.444 -1.163 1
1 865 . 10 1 1 A 70 70 LEU CB C 70 43.024 43.015 0.009 1
1 869 . 10 1 1 A 70 70 LEU N N 70 121.585 121.798 -0.213 1
1 870 . 10 1 1 A 71 71 LYS H H 71 9.114 8.736 0.378 1
1 871 . 10 1 1 A 71 71 LYS HA H 71 4.724 5.158 -0.434 1
1 880 . 10 1 1 A 71 71 LYS C C 71 175.146 174.909 0.237 1
1 881 . 10 1 1 A 71 71 LYS CA C 71 54.024 54.654 -0.630 1
1 882 . 10 1 1 A 71 71 LYS CB C 71 35.469 35.952 -0.483 1
1 886 . 10 1 1 A 71 71 LYS N N 71 126.179 127.603 -1.424 1
1 887 . 10 1 1 A 72 72 TRP H H 72 8.981 8.926 0.055 1
1 888 . 10 1 1 A 72 72 TRP HA H 72 4.720 4.836 -0.116 1
1 897 . 10 1 1 A 72 72 TRP C C 72 176.394 176.212 0.182 1
1 898 . 10 1 1 A 72 72 TRP CA C 72 55.876 57.115 -1.239 1
1 899 . 10 1 1 A 72 72 TRP CB C 72 27.789 29.261 -1.472 1
1 905 . 10 1 1 A 72 72 TRP N N 72 125.904 128.282 -2.378 1
1 907 . 10 1 1 A 73 73 GLU H H 73 8.558 8.672 -0.114 1
1 908 . 10 1 1 A 73 73 GLU HA H 73 4.762 4.920 -0.158 1
1 913 . 10 1 1 A 73 73 GLU C C 73 175.459 175.315 0.144 1
1 914 . 10 1 1 A 73 73 GLU CA C 73 55.208 54.809 0.399 1
1 915 . 10 1 1 A 73 73 GLU CB C 73 32.615 33.258 -0.643 1
1 917 . 10 1 1 A 73 73 GLU N N 73 123.290 124.458 -1.168 1
1 918 . 10 1 1 A 74 74 ALA H H 74 8.962 8.865 0.097 1
1 919 . 10 1 1 A 74 74 ALA HA H 74 4.738 5.270 -0.532 1
1 923 . 10 1 1 A 74 74 ALA C C 74 177.803 177.259 0.544 1
1 924 . 10 1 1 A 74 74 ALA CA C 74 52.246 50.763 1.483 1
1 925 . 10 1 1 A 74 74 ALA CB C 74 20.070 20.208 -0.138 1
1 926 . 10 1 1 A 74 74 ALA N N 74 127.315 127.525 -0.210 1
1 927 . 10 1 1 A 75 75 SER H H 75 8.762 9.241 -0.479 1
1 928 . 10 1 1 A 75 75 SER HA H 75 4.850 4.727 0.123 1
1 931 . 10 1 1 A 75 75 SER C C 75 176.080 174.454 1.626 1
1 932 . 10 1 1 A 75 75 SER CA C 75 56.954 58.024 -1.070 1
1 933 . 10 1 1 A 75 75 SER CB C 75 65.244 64.033 1.211 1
1 934 . 10 1 1 A 75 75 SER N N 75 117.745 119.168 -1.423 1
1 935 . 10 1 1 A 76 76 ARG HA H 76 4.193 4.068 0.125 1
1 943 . 10 1 1 A 76 76 ARG CA C 76 58.895 57.840 1.055 1
1 944 . 10 1 1 A 76 76 ARG CB C 76 29.877 29.427 0.450 1
1 947 . 10 1 1 A 77 77 GLY C C 77 175.277 175.448 -0.171 1
1 948 . 10 1 1 A 78 78 GLY H H 78 8.045 8.249 -0.204 1
1 949 . 10 1 1 A 78 78 GLY HA2 H 78 4.390 4.075 0.315 1
1 950 . 10 1 1 A 78 78 GLY HA3 H 78 3.786 4.079 -0.293 1
1 951 . 10 1 1 A 78 78 GLY C C 78 173.503 174.697 -1.194 1
1 952 . 10 1 1 A 78 78 GLY CA C 78 45.296 45.111 0.185 1
1 953 . 10 1 1 A 78 78 GLY N N 78 110.323 108.137 2.186 1
1 954 . 10 1 1 A 79 79 ALA H H 79 7.879 7.960 -0.081 1
1 955 . 10 1 1 A 79 79 ALA HA H 79 4.357 4.150 0.207 1
1 959 . 10 1 1 A 79 79 ALA C C 79 176.674 177.090 -0.416 1
1 960 . 10 1 1 A 79 79 ALA CA C 79 52.151 52.438 -0.287 1
1 961 . 10 1 1 A 79 79 ALA CB C 79 20.171 19.097 1.074 1
1 962 . 10 1 1 A 79 79 ALA N N 79 123.865 124.145 -0.280 1
1 963 . 10 1 1 A 80 80 ARG H H 80 8.375 8.541 -0.166 1
1 964 . 10 1 1 A 80 80 ARG HA H 80 4.629 4.625 0.004 1
1 972 . 10 1 1 A 80 80 ARG C C 80 175.713 174.649 1.064 1
1 973 . 10 1 1 A 80 80 ARG CA C 80 55.622 54.898 0.724 1
1 974 . 10 1 1 A 80 80 ARG CB C 80 32.074 30.464 1.610 1
1 977 . 10 1 1 A 80 80 ARG N N 80 119.145 124.120 -4.975 1
1 979 . 10 1 1 A 81 81 PHE H H 81 8.722 8.784 -0.062 1
1 980 . 10 1 1 A 81 81 PHE HA H 81 5.156 4.851 0.305 1
1 988 . 10 1 1 A 81 81 PHE C C 81 172.806 173.689 -0.883 1
1 989 . 10 1 1 A 81 81 PHE CA C 81 54.950 55.201 -0.251 1
1 990 . 10 1 1 A 81 81 PHE CB C 81 42.240 39.760 2.480 1
1 996 . 10 1 1 A 81 81 PHE N N 81 123.774 124.665 -0.891 1
1 997 . 10 1 1 A 82 82 PRO HA H 82 3.635 4.403 -0.768 1
1 1004 . 10 1 1 A 82 82 PRO C C 82 174.511 175.743 -1.232 1
1 1005 . 10 1 1 A 82 82 PRO CA C 82 61.347 62.438 -1.091 1
1 1006 . 10 1 1 A 82 82 PRO CB C 82 29.495 30.701 -1.206 1
1 1009 . 10 1 1 A 83 83 HIS H H 83 8.831 8.393 0.438 1
1 1010 . 10 1 1 A 83 83 HIS HA H 83 5.330 4.824 0.506 1
1 1014 . 10 1 1 A 83 83 HIS C C 83 172.952 173.878 -0.926 1
1 1015 . 10 1 1 A 83 83 HIS CA C 83 50.700 55.373 -4.673 1
1 1016 . 10 1 1 A 83 83 HIS CB C 83 33.238 30.946 2.292 1
1 1018 . 10 1 1 A 83 83 HIS N N 83 124.483 122.188 2.295 1
1 1019 . 10 1 1 A 84 84 LEU H H 84 9.063 8.999 0.064 1
1 1020 . 10 1 1 A 84 84 LEU HA H 84 5.163 4.638 0.525 1
1 1030 . 10 1 1 A 84 84 LEU C C 84 176.699 176.287 0.412 1
1 1031 . 10 1 1 A 84 84 LEU CA C 84 53.829 53.271 0.558 1
1 1032 . 10 1 1 A 84 84 LEU CB C 84 45.366 42.643 2.723 1
1 1036 . 10 1 1 A 84 84 LEU N N 84 125.218 125.785 -0.567 1
1 1037 . 10 1 1 A 85 85 TYR H H 85 9.058 8.862 0.196 1
1 1038 . 10 1 1 A 85 85 TYR HA H 85 4.508 4.624 -0.116 1
1 1045 . 10 1 1 A 85 85 TYR C C 85 173.624 175.449 -1.825 1
1 1046 . 10 1 1 A 85 85 TYR CA C 85 60.034 58.898 1.136 1
1 1047 . 10 1 1 A 85 85 TYR CB C 85 36.073 38.375 -2.302 1
1 1052 . 10 1 1 A 85 85 TYR N N 85 131.339 125.301 6.038 1
1 1053 . 10 1 1 A 86 86 ARG H H 86 7.432 7.562 -0.130 1
1 1054 . 10 1 1 A 86 86 ARG HA H 86 4.682 4.946 -0.264 1
1 1062 . 10 1 1 A 86 86 ARG C C 86 171.917 174.465 -2.548 1
1 1063 . 10 1 1 A 86 86 ARG CA C 86 54.953 52.896 2.057 1
1 1064 . 10 1 1 A 86 86 ARG CB C 86 28.209 33.860 -5.651 1
1 1067 . 10 1 1 A 86 86 ARG N N 86 114.399 121.138 -6.739 1
1 1069 . 10 1 1 A 87 87 PRO HA H 87 4.303 4.449 -0.146 1
1 1076 . 10 1 1 A 87 87 PRO C C 87 175.771 175.802 -0.031 1
1 1077 . 10 1 1 A 87 87 PRO CA C 87 63.497 63.257 0.240 1
1 1078 . 10 1 1 A 87 87 PRO CB C 87 32.253 32.100 0.153 1
1 1081 . 10 1 1 A 88 88 LEU H H 88 8.095 8.156 -0.061 1
1 1082 . 10 1 1 A 88 88 LEU HA H 88 4.286 4.778 -0.492 1
1 1092 . 10 1 1 A 88 88 LEU C C 88 175.946 175.244 0.702 1
1 1093 . 10 1 1 A 88 88 LEU CA C 88 53.675 54.120 -0.445 1
1 1094 . 10 1 1 A 88 88 LEU CB C 88 45.548 43.560 1.988 1
1 1098 . 10 1 1 A 88 88 LEU N N 88 125.942 122.978 2.964 1
1 1099 . 10 1 1 A 89 89 LEU H H 89 9.224 8.705 0.519 1
1 1100 . 10 1 1 A 89 89 LEU HA H 89 4.561 4.500 0.061 1
1 1110 . 10 1 1 A 89 89 LEU C C 89 179.295 178.844 0.451 1
1 1111 . 10 1 1 A 89 89 LEU CA C 89 55.212 55.023 0.189 1
1 1112 . 10 1 1 A 89 89 LEU CB C 89 41.460 41.916 -0.456 1
1 1116 . 10 1 1 A 89 89 LEU N N 89 128.295 128.439 -0.144 1
1 1117 . 10 1 1 A 90 90 VAL H H 90 7.665 8.581 -0.916 1
1 1118 . 10 1 1 A 90 90 VAL HA H 90 3.785 3.841 -0.056 1
1 1126 . 10 1 1 A 90 90 VAL C C 90 178.510 177.347 1.163 1
1 1127 . 10 1 1 A 90 90 VAL CA C 90 66.833 65.085 1.748 1
1 1128 . 10 1 1 A 90 90 VAL CB C 90 31.330 31.435 -0.105 1
1 1131 . 10 1 1 A 90 90 VAL N N 90 122.696 126.305 -3.609 1
1 1132 . 10 1 1 A 91 91 SER H H 91 8.134 8.248 -0.114 1
1 1133 . 10 1 1 A 91 91 SER HA H 91 4.280 4.312 -0.032 1
1 1136 . 10 1 1 A 91 91 SER C C 91 175.328 175.363 -0.035 1
1 1137 . 10 1 1 A 91 91 SER CA C 91 59.822 61.292 -1.470 1
1 1138 . 10 1 1 A 91 91 SER CB C 91 62.512 63.172 -0.660 1
1 1139 . 10 1 1 A 91 91 SER N N 91 112.443 116.940 -4.497 1
1 1140 . 10 1 1 A 92 92 GLU H H 92 7.598 8.000 -0.402 1
1 1141 . 10 1 1 A 92 92 GLU HA H 92 4.221 4.393 -0.172 1
1 1146 . 10 1 1 A 92 92 GLU C C 92 175.722 177.062 -1.340 1
1 1147 . 10 1 1 A 92 92 GLU CA C 92 56.594 57.343 -0.749 1
1 1148 . 10 1 1 A 92 92 GLU CB C 92 29.511 30.199 -0.688 1
1 1150 . 10 1 1 A 92 92 GLU N N 92 120.359 118.783 1.576 1
1 1151 . 10 1 1 A 93 93 VAL H H 93 7.486 7.475 0.011 1
1 1152 . 10 1 1 A 93 93 VAL HA H 93 4.046 4.100 -0.054 1
1 1160 . 10 1 1 A 93 93 VAL C C 93 176.093 175.761 0.332 1
1 1161 . 10 1 1 A 93 93 VAL CA C 93 63.242 63.353 -0.111 1
1 1162 . 10 1 1 A 93 93 VAL CB C 93 32.306 31.492 0.814 1
1 1165 . 10 1 1 A 93 93 VAL N N 93 121.222 120.756 0.466 1
1 1166 . 10 1 1 A 94 94 THR H H 94 9.003 8.850 0.153 1
1 1167 . 10 1 1 A 94 94 THR HA H 94 4.264 4.049 0.215 1
1 1172 . 10 1 1 A 94 94 THR C C 94 174.664 174.710 -0.046 1
1 1173 . 10 1 1 A 94 94 THR CA C 94 64.438 64.992 -0.554 1
1 1174 . 10 1 1 A 94 94 THR CB C 94 69.317 68.863 0.454 1
1 1176 . 10 1 1 A 94 94 THR N N 94 124.794 123.025 1.769 1
1 1177 . 10 1 1 A 95 95 ARG H H 95 7.514 7.722 -0.208 1
1 1178 . 10 1 1 A 95 95 ARG HA H 95 4.646 4.728 -0.082 1
1 1186 . 10 1 1 A 95 95 ARG C C 95 172.989 174.175 -1.186 1
1 1187 . 10 1 1 A 95 95 ARG CA C 95 55.872 55.544 0.328 1
1 1188 . 10 1 1 A 95 95 ARG CB C 95 33.789 33.938 -0.149 1
1 1191 . 10 1 1 A 95 95 ARG N N 95 118.660 117.262 1.398 1
1 1193 . 10 1 1 A 96 96 GLU H H 96 8.545 8.797 -0.252 1
1 1194 . 10 1 1 A 96 96 GLU HA H 96 5.329 5.371 -0.042 1
1 1199 . 10 1 1 A 96 96 GLU C C 96 174.480 174.603 -0.123 1
1 1200 . 10 1 1 A 96 96 GLU CA C 96 53.415 54.040 -0.625 1
1 1201 . 10 1 1 A 96 96 GLU CB C 96 33.592 34.030 -0.438 1
1 1203 . 10 1 1 A 96 96 GLU N N 96 121.828 122.176 -0.348 1
1 1204 . 10 1 1 A 97 97 ALA H H 97 8.276 7.966 0.310 1
1 1205 . 10 1 1 A 97 97 ALA HA H 97 4.537 4.804 -0.267 1
1 1209 . 10 1 1 A 97 97 ALA C C 97 175.233 175.726 -0.493 1
1 1210 . 10 1 1 A 97 97 ALA CA C 97 51.368 51.542 -0.174 1
1 1211 . 10 1 1 A 97 97 ALA CB C 97 22.101 22.871 -0.770 1
1 1212 . 10 1 1 A 97 97 ALA N N 97 123.211 120.802 2.409 1
1 1213 . 10 1 1 A 98 98 ASP H H 98 8.399 8.504 -0.105 1
1 1214 . 10 1 1 A 98 98 ASP HA H 98 4.850 4.571 0.279 1
1 1217 . 10 1 1 A 98 98 ASP C C 98 176.085 175.569 0.516 1
1 1218 . 10 1 1 A 98 98 ASP CA C 98 54.824 54.556 0.268 1
1 1219 . 10 1 1 A 98 98 ASP CB C 98 41.694 40.758 0.936 1
1 1220 . 10 1 1 A 98 98 ASP N N 98 122.093 120.804 1.289 1
1 1221 . 10 1 1 A 99 99 LEU H H 99 7.854 8.708 -0.854 1
1 1222 . 10 1 1 A 99 99 LEU HA H 99 4.766 4.689 0.077 1
1 1232 . 10 1 1 A 99 99 LEU C C 99 176.250 175.428 0.822 1
1 1233 . 10 1 1 A 99 99 LEU CA C 99 53.544 54.968 -1.424 1
1 1234 . 10 1 1 A 99 99 LEU CB C 99 44.229 42.994 1.235 1
1 1238 . 10 1 1 A 99 99 LEU N N 99 120.272 125.665 -5.393 1
1 1239 . 10 1 1 A 100 100 ASP H H 100 9.215 8.809 0.406 1
1 1240 . 10 1 1 A 100 100 ASP HA H 100 4.935 5.077 -0.142 1
1 1243 . 10 1 1 A 100 100 ASP C C 100 174.956 175.766 -0.810 1
1 1244 . 10 1 1 A 100 100 ASP CA C 100 52.684 53.693 -1.009 1
1 1245 . 10 1 1 A 100 100 ASP CB C 100 43.362 42.146 1.216 1
1 1246 . 10 1 1 A 100 100 ASP N N 100 123.325 128.058 -4.733 1
1 1247 . 10 1 1 A 101 101 LEU H H 101 8.526 8.337 0.189 1
1 1248 . 10 1 1 A 101 101 LEU HA H 101 4.639 4.907 -0.268 1
1 1258 . 10 1 1 A 101 101 LEU C C 101 178.204 175.734 2.470 1
1 1259 . 10 1 1 A 101 101 LEU CA C 101 53.490 53.467 0.023 1
1 1260 . 10 1 1 A 101 101 LEU CB C 101 44.374 42.970 1.404 1
1 1264 . 10 1 1 A 101 101 LEU N N 101 118.539 122.740 -4.201 1
1 1265 . 10 1 1 A 102 102 ASP H H 102 8.029 8.810 -0.781 1
1 1266 . 10 1 1 A 102 102 ASP HA H 102 4.615 4.955 -0.340 1
1 1269 . 10 1 1 A 102 102 ASP C C 102 178.176 176.947 1.229 1
1 1270 . 10 1 1 A 102 102 ASP CA C 102 52.297 52.444 -0.147 1
1 1271 . 10 1 1 A 102 102 ASP CB C 102 41.108 43.315 -2.207 1
1 1272 . 10 1 1 A 102 102 ASP N N 102 121.008 121.551 -0.543 1
1 1273 . 10 1 1 A 103 103 ALA H H 103 8.384 8.850 -0.466 1
1 1274 . 10 1 1 A 103 103 ALA HA H 103 4.099 3.997 0.102 1
1 1278 . 10 1 1 A 103 103 ALA C C 103 178.527 178.874 -0.347 1
1 1279 . 10 1 1 A 103 103 ALA CA C 103 54.648 55.184 -0.536 1
1 1280 . 10 1 1 A 103 103 ALA CB C 103 18.604 18.404 0.200 1
1 1281 . 10 1 1 A 103 103 ALA N N 103 120.139 126.264 -6.125 1
1 1282 . 10 1 1 A 104 104 ASP H H 104 8.033 7.992 0.041 1
1 1283 . 10 1 1 A 104 104 ASP HA H 104 4.811 4.698 0.113 1
1 1286 . 10 1 1 A 104 104 ASP C C 104 176.113 176.186 -0.073 1
1 1287 . 10 1 1 A 104 104 ASP CA C 104 54.077 54.290 -0.213 1
1 1288 . 10 1 1 A 104 104 ASP CB C 104 41.899 41.416 0.483 1
1 1289 . 10 1 1 A 104 104 ASP N N 104 116.590 116.028 0.562 1
1 1290 . 10 1 1 A 105 105 GLY H H 105 8.196 7.898 0.298 1
1 1291 . 10 1 1 A 105 105 GLY HA2 H 105 4.293 4.057 0.236 1
1 1292 . 10 1 1 A 105 105 GLY HA3 H 105 3.657 4.061 -0.404 1
1 1293 . 10 1 1 A 105 105 GLY C C 105 173.635 174.646 -1.011 1
1 1294 . 10 1 1 A 105 105 GLY CA C 105 45.741 45.207 0.534 1
1 1295 . 10 1 1 A 105 105 GLY N N 105 107.882 107.546 0.336 1
1 1296 . 10 1 1 A 106 106 VAL H H 106 8.886 7.549 1.337 1
1 1297 . 10 1 1 A 106 106 VAL HA H 106 4.082 4.402 -0.320 1
1 1305 . 10 1 1 A 106 106 VAL C C 106 175.529 174.625 0.904 1
1 1306 . 10 1 1 A 106 106 VAL CA C 106 61.360 60.880 0.480 1
1 1307 . 10 1 1 A 106 106 VAL CB C 106 32.373 32.585 -0.212 1
1 1310 . 10 1 1 A 106 106 VAL N N 106 125.585 121.942 3.643 1
1 1311 . 10 1 1 A 107 107 PRO HA H 107 4.737 4.526 0.211 1
1 1318 . 10 1 1 A 107 107 PRO C C 107 176.029 176.158 -0.129 1
1 1319 . 10 1 1 A 107 107 PRO CA C 107 62.674 63.037 -0.363 1
1 1320 . 10 1 1 A 107 107 PRO CB C 107 31.789 31.650 0.139 1
1 1323 . 10 1 1 A 108 108 GLN H H 108 8.563 8.842 -0.279 1
1 1324 . 10 1 1 A 108 108 GLN HA H 108 4.498 4.491 0.007 1
1 1331 . 10 1 1 A 108 108 GLN C C 108 176.218 175.699 0.519 1
1 1332 . 10 1 1 A 108 108 GLN CA C 108 54.901 54.548 0.353 1
1 1333 . 10 1 1 A 108 108 GLN CB C 108 29.514 27.068 2.446 1
1 1336 . 10 1 1 A 108 108 GLN N N 108 122.641 123.018 -0.377 1
1 1338 . 10 1 1 A 109 109 LEU H H 109 8.853 7.903 0.950 1
1 1339 . 10 1 1 A 109 109 LEU HA H 109 4.330 4.144 0.186 1
1 1349 . 10 1 1 A 109 109 LEU C C 109 178.151 178.903 -0.752 1
1 1350 . 10 1 1 A 109 109 LEU CA C 109 56.522 57.776 -1.254 1
1 1351 . 10 1 1 A 109 109 LEU CB C 109 41.883 41.854 0.029 1
1 1355 . 10 1 1 A 109 109 LEU N N 109 125.974 125.719 0.255 1
1 1356 . 10 1 1 A 110 110 GLY H H 110 8.809 8.351 0.458 1
1 1357 . 10 1 1 A 110 110 GLY HA2 H 110 3.952 3.814 0.138 1
1 1358 . 10 1 1 A 110 110 GLY HA3 H 110 3.551 3.832 -0.281 1
1 1359 . 10 1 1 A 110 110 GLY C C 110 176.002 175.930 0.072 1
1 1360 . 10 1 1 A 110 110 GLY CA C 110 48.748 47.158 1.590 1
1 1361 . 10 1 1 A 110 110 GLY N N 110 109.442 106.218 3.224 1
1 1362 . 10 1 1 A 111 111 ASP H H 111 8.674 7.960 0.714 1
1 1363 . 10 1 1 A 111 111 ASP HA H 111 4.317 4.483 -0.166 1
1 1366 . 10 1 1 A 111 111 ASP C C 111 177.159 178.862 -1.703 1
1 1367 . 10 1 1 A 111 111 ASP CA C 111 56.239 56.280 -0.041 1
1 1368 . 10 1 1 A 111 111 ASP CB C 111 39.791 40.863 -1.072 1
1 1369 . 10 1 1 A 111 111 ASP N N 111 119.503 120.945 -1.442 1
1 1370 . 10 1 1 A 112 112 HIS H H 112 7.471 7.690 -0.219 1
1 1371 . 10 1 1 A 112 112 HIS HA H 112 4.481 4.159 0.322 1
1 1376 . 10 1 1 A 112 112 HIS C C 112 177.121 175.019 2.102 1
1 1377 . 10 1 1 A 112 112 HIS CA C 112 56.692 58.966 -2.274 1
1 1378 . 10 1 1 A 112 112 HIS CB C 112 31.648 29.892 1.756 1
1 1381 . 10 1 1 A 112 112 HIS N N 112 116.681 120.887 -4.206 1
1 1382 . 10 1 1 A 113 113 LEU H H 113 7.526 7.627 -0.101 1
1 1383 . 10 1 1 A 113 113 LEU HA H 113 4.148 4.449 -0.301 1
1 1393 . 10 1 1 A 113 113 LEU C C 113 177.363 176.690 0.673 1
1 1394 . 10 1 1 A 113 113 LEU CA C 113 55.509 53.976 1.533 1
1 1395 . 10 1 1 A 113 113 LEU CB C 113 42.009 42.193 -0.184 1
1 1399 . 10 1 1 A 113 113 LEU N N 113 118.976 118.937 0.039 1
1 1400 . 10 1 1 A 114 114 ALA H H 114 7.648 8.557 -0.909 1
1 1401 . 10 1 1 A 114 114 ALA HA H 114 4.227 4.330 -0.103 1
1 1405 . 10 1 1 A 114 114 ALA C C 114 177.692 176.367 1.325 1
1 1406 . 10 1 1 A 114 114 ALA CA C 114 52.828 51.750 1.078 1
1 1407 . 10 1 1 A 114 114 ALA CB C 114 18.497 17.333 1.164 1
1 1408 . 10 1 1 A 114 114 ALA N N 114 121.893 123.774 -1.881 1
1 1409 . 10 1 1 A 115 115 LEU H H 115 7.764 8.780 -1.016 1
1 1410 . 10 1 1 A 115 115 LEU HA H 115 4.146 4.346 -0.200 1
1 1420 . 10 1 1 A 115 115 LEU C C 115 177.819 175.377 2.442 1
1 1421 . 10 1 1 A 115 115 LEU CA C 115 55.771 54.468 1.303 1
1 1422 . 10 1 1 A 115 115 LEU CB C 115 42.000 41.110 0.890 1
1 1426 . 10 1 1 A 115 115 LEU N N 115 119.576 124.853 -5.277 1
1 12 . 11 1 1 A 2 2 THR HA H 2 3.833 4.434 -0.601 1
1 17 . 11 1 1 A 2 2 THR C C 2 170.665 173.531 -2.866 1
1 18 . 11 1 1 A 2 2 THR CA C 2 62.154 61.983 0.171 1
1 19 . 11 1 1 A 2 2 THR CB C 2 69.580 67.184 2.396 1
1 21 . 11 1 1 A 3 3 LEU H H 3 9.068 8.513 0.555 1
1 22 . 11 1 1 A 3 3 LEU HA H 3 4.887 4.701 0.186 1
1 32 . 11 1 1 A 3 3 LEU C C 3 175.859 176.556 -0.697 1
1 33 . 11 1 1 A 3 3 LEU CA C 3 54.426 54.308 0.118 1
1 34 . 11 1 1 A 3 3 LEU CB C 3 43.222 41.136 2.086 1
1 38 . 11 1 1 A 3 3 LEU N N 3 129.030 127.716 1.314 1
1 39 . 11 1 1 A 4 4 ILE H H 4 8.897 8.708 0.189 1
1 40 . 11 1 1 A 4 4 ILE HA H 4 4.753 4.821 -0.068 1
1 50 . 11 1 1 A 4 4 ILE C C 4 174.211 174.589 -0.378 1
1 51 . 11 1 1 A 4 4 ILE CA C 4 59.998 59.739 0.259 1
1 52 . 11 1 1 A 4 4 ILE CB C 4 41.129 39.126 2.003 1
1 56 . 11 1 1 A 4 4 ILE N N 4 115.702 122.669 -6.967 1
1 57 . 11 1 1 A 5 5 TYR H H 5 9.050 9.508 -0.458 1
1 58 . 11 1 1 A 5 5 TYR HA H 5 5.770 5.777 -0.007 1
1 65 . 11 1 1 A 5 5 TYR C C 5 175.987 174.841 1.146 1
1 66 . 11 1 1 A 5 5 TYR CA C 5 57.923 56.409 1.514 1
1 67 . 11 1 1 A 5 5 TYR CB C 5 42.963 42.521 0.442 1
1 72 . 11 1 1 A 5 5 TYR N N 5 114.414 122.855 -8.441 1
1 73 . 11 1 1 A 6 6 LYS H H 6 8.858 8.240 0.618 1
1 74 . 11 1 1 A 6 6 LYS HA H 6 4.813 4.690 0.123 1
1 83 . 11 1 1 A 6 6 LYS C C 6 172.801 173.889 -1.088 1
1 84 . 11 1 1 A 6 6 LYS CA C 6 52.969 55.295 -2.326 1
1 85 . 11 1 1 A 6 6 LYS CB C 6 37.109 36.443 0.666 1
1 89 . 11 1 1 A 6 6 LYS N N 6 121.597 121.189 0.408 1
1 90 . 11 1 1 A 7 7 ILE H H 7 8.277 8.592 -0.315 1
1 91 . 11 1 1 A 7 7 ILE HA H 7 4.702 4.755 -0.053 1
1 101 . 11 1 1 A 7 7 ILE C C 7 173.742 175.039 -1.297 1
1 102 . 11 1 1 A 7 7 ILE CA C 7 60.340 59.304 1.036 1
1 103 . 11 1 1 A 7 7 ILE CB C 7 38.941 37.667 1.274 1
1 107 . 11 1 1 A 7 7 ILE N N 7 128.212 127.957 0.255 1
1 108 . 11 1 1 A 8 8 LEU H H 8 8.627 8.546 0.081 1
1 109 . 11 1 1 A 8 8 LEU HA H 8 4.757 5.133 -0.376 1
1 119 . 11 1 1 A 8 8 LEU C C 8 173.661 175.515 -1.854 1
1 120 . 11 1 1 A 8 8 LEU CA C 8 54.530 52.986 1.544 1
1 121 . 11 1 1 A 8 8 LEU CB C 8 43.617 45.808 -2.191 1
1 125 . 11 1 1 A 8 8 LEU N N 8 126.590 124.655 1.935 1
1 126 . 11 1 1 A 9 9 SER H H 9 8.546 8.769 -0.223 1
1 127 . 11 1 1 A 9 9 SER HA H 9 4.765 4.600 0.165 1
1 130 . 11 1 1 A 9 9 SER C C 9 175.160 175.108 0.052 1
1 131 . 11 1 1 A 9 9 SER CA C 9 58.520 57.642 0.878 1
1 132 . 11 1 1 A 9 9 SER CB C 9 65.227 64.768 0.459 1
1 133 . 11 1 1 A 9 9 SER N N 9 115.543 115.922 -0.379 1
1 134 . 11 1 1 A 10 10 ARG H H 10 9.080 9.016 0.064 1
1 135 . 11 1 1 A 10 10 ARG HA H 10 4.037 4.006 0.031 1
1 143 . 11 1 1 A 10 10 ARG C C 10 177.847 178.253 -0.406 1
1 144 . 11 1 1 A 10 10 ARG CA C 10 59.210 60.028 -0.818 1
1 145 . 11 1 1 A 10 10 ARG CB C 10 28.776 30.312 -1.536 1
1 148 . 11 1 1 A 10 10 ARG N N 10 123.688 122.656 1.032 1
1 150 . 11 1 1 A 11 11 ALA H H 11 8.753 8.077 0.676 1
1 151 . 11 1 1 A 11 11 ALA HA H 11 4.248 4.061 0.187 1
1 155 . 11 1 1 A 11 11 ALA C C 11 181.848 179.981 1.867 1
1 156 . 11 1 1 A 11 11 ALA CA C 11 55.483 54.988 0.495 1
1 157 . 11 1 1 A 11 11 ALA CB C 11 18.209 18.303 -0.094 1
1 158 . 11 1 1 A 11 11 ALA N N 11 119.698 120.665 -0.967 1
1 159 . 11 1 1 A 12 12 GLU H H 12 7.957 7.941 0.016 1
1 160 . 11 1 1 A 12 12 GLU HA H 12 4.183 4.128 0.055 1
1 165 . 11 1 1 A 12 12 GLU C C 12 179.576 178.754 0.822 1
1 166 . 11 1 1 A 12 12 GLU CA C 12 59.103 58.893 0.210 1
1 167 . 11 1 1 A 12 12 GLU CB C 12 31.077 29.525 1.552 1
1 169 . 11 1 1 A 12 12 GLU N N 12 118.210 118.516 -0.306 1
1 170 . 11 1 1 A 13 13 TRP H H 13 8.585 8.036 0.549 1
1 171 . 11 1 1 A 13 13 TRP HA H 13 4.937 4.203 0.734 1
1 180 . 11 1 1 A 13 13 TRP C C 13 176.827 178.511 -1.684 1
1 181 . 11 1 1 A 13 13 TRP CA C 13 57.845 60.761 -2.916 1
1 182 . 11 1 1 A 13 13 TRP CB C 13 31.010 29.422 1.588 1
1 188 . 11 1 1 A 13 13 TRP N N 13 123.646 122.128 1.518 1
1 190 . 11 1 1 A 14 14 ASP H H 14 9.260 8.528 0.732 1
1 191 . 11 1 1 A 14 14 ASP HA H 14 4.048 4.034 0.014 1
1 194 . 11 1 1 A 14 14 ASP C C 14 180.120 178.546 1.574 1
1 195 . 11 1 1 A 14 14 ASP CA C 14 57.767 57.136 0.631 1
1 196 . 11 1 1 A 14 14 ASP CB C 14 39.467 39.945 -0.478 1
1 197 . 11 1 1 A 14 14 ASP N N 14 120.253 118.669 1.584 1
1 198 . 11 1 1 A 15 15 ALA H H 15 7.599 8.236 -0.637 1
1 199 . 11 1 1 A 15 15 ALA HA H 15 4.163 4.067 0.096 1
1 203 . 11 1 1 A 15 15 ALA C C 15 180.115 179.926 0.189 1
1 204 . 11 1 1 A 15 15 ALA CA C 15 55.016 55.117 -0.101 1
1 205 . 11 1 1 A 15 15 ALA CB C 15 17.871 18.280 -0.409 1
1 206 . 11 1 1 A 15 15 ALA N N 15 122.164 123.065 -0.901 1
1 207 . 11 1 1 A 16 16 ALA H H 16 7.944 8.307 -0.363 1
1 208 . 11 1 1 A 16 16 ALA HA H 16 4.334 4.015 0.319 1
1 212 . 11 1 1 A 16 16 ALA C C 16 180.101 179.526 0.575 1
1 213 . 11 1 1 A 16 16 ALA CA C 16 54.659 55.090 -0.431 1
1 214 . 11 1 1 A 16 16 ALA CB C 16 19.107 18.713 0.394 1
1 215 . 11 1 1 A 16 16 ALA N N 16 122.526 119.728 2.798 1
1 216 . 11 1 1 A 17 17 LYS H H 17 8.317 7.897 0.420 1
1 217 . 11 1 1 A 17 17 LYS HA H 17 3.462 3.729 -0.267 1
1 226 . 11 1 1 A 17 17 LYS C C 17 179.126 178.317 0.809 1
1 227 . 11 1 1 A 17 17 LYS CA C 17 60.077 58.517 1.560 1
1 228 . 11 1 1 A 17 17 LYS CB C 17 31.431 31.708 -0.277 1
1 232 . 11 1 1 A 17 17 LYS N N 17 117.572 118.530 -0.958 1
1 233 . 11 1 1 A 18 18 ALA H H 18 7.296 8.186 -0.890 1
1 234 . 11 1 1 A 18 18 ALA HA H 18 4.100 4.032 0.068 1
1 238 . 11 1 1 A 18 18 ALA C C 18 178.940 179.682 -0.742 1
1 239 . 11 1 1 A 18 18 ALA CA C 18 54.513 54.843 -0.330 1
1 240 . 11 1 1 A 18 18 ALA CB C 18 18.132 18.163 -0.031 1
1 241 . 11 1 1 A 18 18 ALA N N 18 119.644 121.693 -2.049 1
1 242 . 11 1 1 A 19 19 GLN H H 19 7.443 7.817 -0.374 1
1 243 . 11 1 1 A 19 19 GLN HA H 19 4.535 4.238 0.297 1
1 250 . 11 1 1 A 19 19 GLN C C 19 176.607 176.479 0.128 1
1 251 . 11 1 1 A 19 19 GLN CA C 19 55.755 55.985 -0.230 1
1 252 . 11 1 1 A 19 19 GLN CB C 19 30.075 29.006 1.069 1
1 255 . 11 1 1 A 19 19 GLN N N 19 113.538 115.117 -1.579 1
1 257 . 11 1 1 A 20 20 GLY H H 20 8.277 9.250 -0.973 1
1 258 . 11 1 1 A 20 20 GLY HA2 H 20 4.450 3.854 0.596 1
1 259 . 11 1 1 A 20 20 GLY HA3 H 20 3.627 3.882 -0.255 1
1 260 . 11 1 1 A 20 20 GLY C C 20 174.006 173.387 0.619 1
1 261 . 11 1 1 A 20 20 GLY CA C 20 45.567 45.552 0.015 1
1 262 . 11 1 1 A 20 20 GLY N N 20 108.233 108.651 -0.418 1
1 263 . 11 1 1 A 21 21 ARG H H 21 7.786 7.414 0.372 1
1 264 . 11 1 1 A 21 21 ARG HA H 21 5.123 4.888 0.235 1
1 272 . 11 1 1 A 21 21 ARG C C 21 171.553 174.101 -2.548 1
1 273 . 11 1 1 A 21 21 ARG CA C 21 54.882 54.544 0.338 1
1 274 . 11 1 1 A 21 21 ARG CB C 21 32.114 33.446 -1.332 1
1 277 . 11 1 1 A 21 21 ARG N N 21 116.837 115.668 1.169 1
1 279 . 11 1 1 A 22 22 PHE H H 22 9.821 9.512 0.309 1
1 280 . 11 1 1 A 22 22 PHE HA H 22 5.185 4.922 0.263 1
1 285 . 11 1 1 A 22 22 PHE C C 22 173.825 174.939 -1.114 1
1 286 . 11 1 1 A 22 22 PHE CA C 22 54.913 56.495 -1.582 1
1 287 . 11 1 1 A 22 22 PHE CB C 22 41.568 39.460 2.108 1
1 290 . 11 1 1 A 22 22 PHE N N 22 121.680 125.069 -3.389 1
1 291 . 11 1 1 A 23 23 GLU H H 23 9.053 8.868 0.185 1
1 292 . 11 1 1 A 23 23 GLU HA H 23 3.893 4.161 -0.268 1
1 297 . 11 1 1 A 23 23 GLU C C 23 174.856 176.539 -1.683 1
1 298 . 11 1 1 A 23 23 GLU CA C 23 56.781 57.111 -0.330 1
1 299 . 11 1 1 A 23 23 GLU CB C 23 29.990 30.307 -0.317 1
1 301 . 11 1 1 A 23 23 GLU N N 23 125.059 127.888 -2.829 1
1 302 . 11 1 1 A 24 24 GLY HA2 H 24 4.212 3.259 0.953 1
1 303 . 11 1 1 A 24 24 GLY HA3 H 24 3.112 3.782 -0.670 1
1 304 . 11 1 1 A 24 24 GLY C C 24 173.311 172.018 1.293 1
1 305 . 11 1 1 A 24 24 GLY CA C 24 45.104 44.160 0.944 1
1 306 . 11 1 1 A 25 25 SER H H 25 9.877 8.606 1.271 1
1 307 . 11 1 1 A 25 25 SER HA H 25 4.884 4.701 0.183 1
1 310 . 11 1 1 A 25 25 SER C C 25 173.788 175.553 -1.765 1
1 311 . 11 1 1 A 25 25 SER CA C 25 57.549 57.190 0.359 1
1 312 . 11 1 1 A 25 25 SER CB C 25 65.383 64.524 0.859 1
1 313 . 11 1 1 A 25 25 SER N N 25 121.073 115.161 5.912 1
1 314 . 11 1 1 A 26 26 ALA H H 26 9.097 9.038 0.059 1
1 315 . 11 1 1 A 26 26 ALA HA H 26 3.964 4.032 -0.068 1
1 319 . 11 1 1 A 26 26 ALA C C 26 181.102 179.785 1.317 1
1 320 . 11 1 1 A 26 26 ALA CA C 26 56.670 55.582 1.088 1
1 321 . 11 1 1 A 26 26 ALA CB C 26 17.927 18.093 -0.166 1
1 322 . 11 1 1 A 26 26 ALA N N 26 123.398 127.918 -4.520 1
1 323 . 11 1 1 A 27 27 VAL H H 27 7.928 8.019 -0.091 1
1 324 . 11 1 1 A 27 27 VAL HA H 27 3.593 3.412 0.181 1
1 332 . 11 1 1 A 27 27 VAL C C 27 176.628 178.065 -1.437 1
1 333 . 11 1 1 A 27 27 VAL CA C 27 65.257 66.503 -1.246 1
1 334 . 11 1 1 A 27 27 VAL CB C 27 31.688 31.304 0.384 1
1 337 . 11 1 1 A 27 27 VAL N N 27 117.697 118.606 -0.909 1
1 338 . 11 1 1 A 28 28 ASP H H 28 6.927 7.783 -0.856 1
1 339 . 11 1 1 A 28 28 ASP HA H 28 4.512 4.800 -0.288 1
1 342 . 11 1 1 A 28 28 ASP C C 28 178.402 178.916 -0.514 1
1 343 . 11 1 1 A 28 28 ASP CA C 28 56.586 56.666 -0.080 1
1 344 . 11 1 1 A 28 28 ASP CB C 28 41.317 40.974 0.343 1
1 345 . 11 1 1 A 28 28 ASP N N 28 121.516 120.957 0.559 1
1 346 . 11 1 1 A 29 29 LEU H H 29 8.309 8.339 -0.030 1
1 347 . 11 1 1 A 29 29 LEU HA H 29 3.764 4.043 -0.279 1
1 357 . 11 1 1 A 29 29 LEU C C 29 180.093 179.548 0.545 1
1 358 . 11 1 1 A 29 29 LEU CA C 29 57.091 57.929 -0.838 1
1 359 . 11 1 1 A 29 29 LEU CB C 29 41.418 40.751 0.667 1
1 363 . 11 1 1 A 29 29 LEU N N 29 118.648 120.094 -1.446 1
1 364 . 11 1 1 A 30 30 ALA H H 30 7.458 8.382 -0.924 1
1 365 . 11 1 1 A 30 30 ALA HA H 30 4.000 4.013 -0.013 1
1 369 . 11 1 1 A 30 30 ALA C C 30 179.371 179.535 -0.164 1
1 370 . 11 1 1 A 30 30 ALA CA C 30 54.526 55.274 -0.748 1
1 371 . 11 1 1 A 30 30 ALA CB C 30 18.102 17.997 0.105 1
1 372 . 11 1 1 A 30 30 ALA N N 30 120.814 122.320 -1.506 1
1 373 . 11 1 1 A 31 31 ASP H H 31 7.682 7.717 -0.035 1
1 374 . 11 1 1 A 31 31 ASP HA H 31 4.410 4.688 -0.278 1
1 377 . 11 1 1 A 31 31 ASP C C 31 176.610 176.213 0.397 1
1 378 . 11 1 1 A 31 31 ASP CA C 31 55.271 54.590 0.681 1
1 379 . 11 1 1 A 31 31 ASP CB C 31 40.083 41.425 -1.342 1
1 380 . 11 1 1 A 31 31 ASP N N 31 117.191 116.181 1.010 1
1 381 . 11 1 1 A 32 32 GLY H H 32 7.909 8.574 -0.665 1
1 382 . 11 1 1 A 32 32 GLY HA2 H 32 4.090 3.565 0.525 1
1 383 . 11 1 1 A 32 32 GLY HA3 H 32 3.597 3.747 -0.150 1
1 384 . 11 1 1 A 32 32 GLY C C 32 173.168 173.160 0.008 1
1 385 . 11 1 1 A 32 32 GLY CA C 32 45.112 44.915 0.197 1
1 386 . 11 1 1 A 32 32 GLY N N 32 106.983 107.390 -0.407 1
1 387 . 11 1 1 A 33 33 PHE H H 33 7.233 7.587 -0.354 1
1 388 . 11 1 1 A 33 33 PHE HA H 33 4.212 5.121 -0.909 1
1 396 . 11 1 1 A 33 33 PHE C C 33 171.389 176.139 -4.750 1
1 397 . 11 1 1 A 33 33 PHE CA C 33 55.383 56.386 -1.003 1
1 398 . 11 1 1 A 33 33 PHE CB C 33 37.177 43.411 -6.234 1
1 404 . 11 1 1 A 33 33 PHE N N 33 115.364 118.560 -3.196 1
1 405 . 11 1 1 A 34 34 ILE H H 34 8.637 9.407 -0.770 1
1 406 . 11 1 1 A 34 34 ILE HA H 34 3.817 4.313 -0.496 1
1 416 . 11 1 1 A 34 34 ILE C C 34 177.018 175.298 1.720 1
1 417 . 11 1 1 A 34 34 ILE CA C 34 60.724 61.438 -0.714 1
1 418 . 11 1 1 A 34 34 ILE CB C 34 39.266 38.000 1.266 1
1 422 . 11 1 1 A 34 34 ILE N N 34 114.086 122.724 -8.638 1
1 423 . 11 1 1 A 35 35 HIS H H 35 9.203 8.073 1.130 1
1 424 . 11 1 1 A 35 35 HIS HA H 35 4.448 4.081 0.367 1
1 428 . 11 1 1 A 35 35 HIS C C 35 175.740 173.987 1.753 1
1 429 . 11 1 1 A 35 35 HIS CA C 35 57.757 55.992 1.765 1
1 430 . 11 1 1 A 35 35 HIS CB C 35 29.758 27.944 1.814 1
1 432 . 11 1 1 A 35 35 HIS N N 35 127.988 118.064 9.924 1
1 433 . 11 1 1 A 36 36 LEU H H 36 8.454 8.045 0.409 1
1 434 . 11 1 1 A 36 36 LEU HA H 36 5.190 4.895 0.295 1
1 444 . 11 1 1 A 36 36 LEU C C 36 174.813 175.728 -0.915 1
1 445 . 11 1 1 A 36 36 LEU CA C 36 56.019 53.177 2.842 1
1 446 . 11 1 1 A 36 36 LEU CB C 36 44.541 44.637 -0.096 1
1 450 . 11 1 1 A 36 36 LEU N N 36 126.075 121.579 4.496 1
1 451 . 11 1 1 A 37 37 SER H H 37 9.128 8.665 0.463 1
1 452 . 11 1 1 A 37 37 SER HA H 37 5.277 5.102 0.175 1
1 455 . 11 1 1 A 37 37 SER C C 37 174.433 173.731 0.702 1
1 456 . 11 1 1 A 37 37 SER CA C 37 57.990 57.531 0.459 1
1 457 . 11 1 1 A 37 37 SER CB C 37 66.778 66.923 -0.145 1
1 458 . 11 1 1 A 37 37 SER N N 37 112.795 116.593 -3.798 1
1 459 . 11 1 1 A 38 38 ALA H H 38 9.665 8.955 0.710 1
1 460 . 11 1 1 A 38 38 ALA HA H 38 4.973 4.740 0.233 1
1 464 . 11 1 1 A 38 38 ALA C C 38 179.640 178.461 1.179 1
1 465 . 11 1 1 A 38 38 ALA CA C 38 52.303 51.689 0.614 1
1 466 . 11 1 1 A 38 38 ALA CB C 38 19.350 19.907 -0.557 1
1 467 . 11 1 1 A 38 38 ALA N N 38 127.103 126.520 0.583 1
1 468 . 11 1 1 A 39 39 GLY H H 39 10.159 8.860 1.299 1
1 469 . 11 1 1 A 39 39 GLY HA2 H 39 4.249 3.590 0.659 1
1 470 . 11 1 1 A 39 39 GLY HA3 H 39 3.720 3.769 -0.049 1
1 471 . 11 1 1 A 39 39 GLY C C 39 176.229 175.548 0.681 1
1 472 . 11 1 1 A 39 39 GLY CA C 39 49.163 47.149 2.014 1
1 473 . 11 1 1 A 39 39 GLY N N 39 112.007 106.428 5.579 1
1 474 . 11 1 1 A 40 40 GLU H H 40 9.367 8.080 1.287 1
1 475 . 11 1 1 A 40 40 GLU HA H 40 4.234 4.000 0.234 1
1 480 . 11 1 1 A 40 40 GLU C C 40 176.417 179.087 -2.670 1
1 481 . 11 1 1 A 40 40 GLU CA C 40 58.622 59.403 -0.781 1
1 482 . 11 1 1 A 40 40 GLU CB C 40 28.796 29.324 -0.528 1
1 484 . 11 1 1 A 40 40 GLU N N 40 117.243 121.162 -3.919 1
1 485 . 11 1 1 A 41 41 GLN H H 41 7.503 8.281 -0.778 1
1 486 . 11 1 1 A 41 41 GLN HA H 41 4.752 4.148 0.604 1
1 493 . 11 1 1 A 41 41 GLN C C 41 177.730 178.637 -0.907 1
1 494 . 11 1 1 A 41 41 GLN CA C 41 55.626 58.991 -3.365 1
1 495 . 11 1 1 A 41 41 GLN CB C 41 30.653 28.236 2.417 1
1 498 . 11 1 1 A 41 41 GLN N N 41 115.837 119.396 -3.559 1
1 500 . 11 1 1 A 42 42 ALA H H 42 7.519 8.469 -0.950 1
1 501 . 11 1 1 A 42 42 ALA HA H 42 3.927 4.086 -0.159 1
1 505 . 11 1 1 A 42 42 ALA C C 42 177.826 179.348 -1.522 1
1 506 . 11 1 1 A 42 42 ALA CA C 42 56.706 55.254 1.452 1
1 507 . 11 1 1 A 42 42 ALA CB C 42 18.247 18.056 0.191 1
1 508 . 11 1 1 A 42 42 ALA N N 42 123.105 122.982 0.123 1
1 509 . 11 1 1 A 43 43 GLN H H 43 9.203 7.854 1.349 1
1 510 . 11 1 1 A 43 43 GLN HA H 43 3.942 3.964 -0.022 1
1 517 . 11 1 1 A 43 43 GLN C C 43 177.913 177.659 0.254 1
1 518 . 11 1 1 A 43 43 GLN CA C 43 58.678 59.246 -0.568 1
1 519 . 11 1 1 A 43 43 GLN CB C 43 28.815 28.481 0.334 1
1 522 . 11 1 1 A 43 43 GLN N N 43 118.650 117.738 0.912 1
1 524 . 11 1 1 A 44 44 GLU H H 44 8.611 8.319 0.292 1
1 525 . 11 1 1 A 44 44 GLU HA H 44 4.207 4.137 0.070 1
1 530 . 11 1 1 A 44 44 GLU C C 44 179.090 179.444 -0.354 1
1 531 . 11 1 1 A 44 44 GLU CA C 44 59.246 59.257 -0.011 1
1 532 . 11 1 1 A 44 44 GLU CB C 44 28.850 29.481 -0.631 1
1 534 . 11 1 1 A 44 44 GLU N N 44 122.042 120.066 1.976 1
1 535 . 11 1 1 A 45 45 THR H H 45 8.292 8.550 -0.258 1
1 536 . 11 1 1 A 45 45 THR HA H 45 4.123 4.252 -0.129 1
1 541 . 11 1 1 A 45 45 THR C C 45 176.228 176.748 -0.520 1
1 542 . 11 1 1 A 45 45 THR CA C 45 66.902 66.097 0.805 1
1 543 . 11 1 1 A 45 45 THR CB C 45 68.949 68.981 -0.032 1
1 545 . 11 1 1 A 45 45 THR N N 45 117.583 116.141 1.442 1
1 546 . 11 1 1 A 46 46 ALA H H 46 8.275 8.669 -0.394 1
1 547 . 11 1 1 A 46 46 ALA HA H 46 4.255 4.275 -0.020 1
1 551 . 11 1 1 A 46 46 ALA C C 46 178.630 179.909 -1.279 1
1 552 . 11 1 1 A 46 46 ALA CA C 46 55.406 55.476 -0.070 1
1 553 . 11 1 1 A 46 46 ALA CB C 46 18.482 18.484 -0.002 1
1 554 . 11 1 1 A 46 46 ALA N N 46 123.184 123.919 -0.735 1
1 555 . 11 1 1 A 47 47 ALA H H 47 8.066 8.264 -0.198 1
1 556 . 11 1 1 A 47 47 ALA HA H 47 3.953 4.096 -0.143 1
1 560 . 11 1 1 A 47 47 ALA C C 47 178.552 179.470 -0.918 1
1 561 . 11 1 1 A 47 47 ALA CA C 47 55.030 55.027 0.003 1
1 562 . 11 1 1 A 47 47 ALA CB C 47 18.899 18.457 0.442 1
1 563 . 11 1 1 A 47 47 ALA N N 47 117.129 120.100 -2.971 1
1 564 . 11 1 1 A 48 48 LYS H H 48 8.089 8.069 0.020 1
1 565 . 11 1 1 A 48 48 LYS HA H 48 3.936 4.019 -0.083 1
1 574 . 11 1 1 A 48 48 LYS C C 48 179.130 177.753 1.377 1
1 575 . 11 1 1 A 48 48 LYS CA C 48 58.560 58.235 0.325 1
1 576 . 11 1 1 A 48 48 LYS CB C 48 33.122 33.002 0.120 1
1 580 . 11 1 1 A 48 48 LYS N N 48 115.322 118.089 -2.767 1
1 581 . 11 1 1 A 49 49 TRP H H 49 7.978 8.218 -0.240 1
1 582 . 11 1 1 A 49 49 TRP HA H 49 4.807 4.622 0.185 1
1 591 . 11 1 1 A 49 49 TRP C C 49 176.923 176.755 0.168 1
1 592 . 11 1 1 A 49 49 TRP CA C 49 57.157 58.477 -1.320 1
1 593 . 11 1 1 A 49 49 TRP CB C 49 31.461 30.871 0.590 1
1 599 . 11 1 1 A 49 49 TRP N N 49 114.492 117.341 -2.849 1
1 601 . 11 1 1 A 50 50 PHE H H 50 7.740 8.105 -0.365 1
1 602 . 11 1 1 A 50 50 PHE HA H 50 4.925 4.900 0.025 1
1 608 . 11 1 1 A 50 50 PHE C C 50 174.160 175.759 -1.599 1
1 609 . 11 1 1 A 50 50 PHE CA C 50 57.772 56.237 1.535 1
1 610 . 11 1 1 A 50 50 PHE CB C 50 39.610 36.974 2.636 1
1 614 . 11 1 1 A 50 50 PHE N N 50 116.540 115.955 0.585 1
1 615 . 11 1 1 A 51 51 ARG H H 51 7.389 7.914 -0.525 1
1 616 . 11 1 1 A 51 51 ARG HA H 51 4.198 4.580 -0.382 1
1 624 . 11 1 1 A 51 51 ARG C C 51 179.130 176.641 2.489 1
1 625 . 11 1 1 A 51 51 ARG CA C 51 58.224 56.503 1.721 1
1 626 . 11 1 1 A 51 51 ARG CB C 51 30.032 30.644 -0.612 1
1 629 . 11 1 1 A 51 51 ARG N N 51 119.136 118.561 0.575 1
1 631 . 11 1 1 A 52 52 GLY H H 52 10.264 7.964 2.300 1
1 632 . 11 1 1 A 52 52 GLY HA2 H 52 4.180 4.018 0.162 1
1 633 . 11 1 1 A 52 52 GLY HA3 H 52 3.745 4.022 -0.277 1
1 634 . 11 1 1 A 52 52 GLY C C 52 173.980 173.728 0.252 1
1 635 . 11 1 1 A 52 52 GLY CA C 52 45.517 46.384 -0.867 1
1 636 . 11 1 1 A 52 52 GLY N N 52 114.192 107.349 6.843 1
1 637 . 11 1 1 A 53 53 GLN H H 53 7.597 7.992 -0.395 1
1 638 . 11 1 1 A 53 53 GLN HA H 53 4.437 4.519 -0.082 1
1 645 . 11 1 1 A 53 53 GLN C C 53 172.934 175.523 -2.589 1
1 646 . 11 1 1 A 53 53 GLN CA C 53 56.280 55.872 0.408 1
1 647 . 11 1 1 A 53 53 GLN CB C 53 29.123 29.402 -0.279 1
1 650 . 11 1 1 A 53 53 GLN N N 53 120.438 121.323 -0.885 1
1 652 . 11 1 1 A 54 54 ALA H H 54 8.190 8.710 -0.520 1
1 653 . 11 1 1 A 54 54 ALA HA H 54 4.344 4.420 -0.076 1
1 657 . 11 1 1 A 54 54 ALA C C 54 177.278 178.080 -0.802 1
1 658 . 11 1 1 A 54 54 ALA CA C 54 51.377 53.795 -2.418 1
1 659 . 11 1 1 A 54 54 ALA CB C 54 20.525 20.215 0.310 1
1 660 . 11 1 1 A 54 54 ALA N N 54 124.528 128.291 -3.763 1
1 661 . 11 1 1 A 55 55 ASN H H 55 8.903 7.972 0.931 1
1 662 . 11 1 1 A 55 55 ASN HA H 55 4.598 4.998 -0.400 1
1 667 . 11 1 1 A 55 55 ASN C C 55 174.075 174.918 -0.843 1
1 668 . 11 1 1 A 55 55 ASN CA C 55 53.986 52.200 1.786 1
1 669 . 11 1 1 A 55 55 ASN CB C 55 37.654 38.444 -0.790 1
1 671 . 11 1 1 A 55 55 ASN N N 55 113.776 111.877 1.899 1
1 673 . 11 1 1 A 56 56 LEU H H 56 8.543 8.074 0.469 1
1 674 . 11 1 1 A 56 56 LEU HA H 56 4.677 5.318 -0.641 1
1 684 . 11 1 1 A 56 56 LEU C C 56 176.806 175.421 1.385 1
1 685 . 11 1 1 A 56 56 LEU CA C 56 54.383 52.726 1.657 1
1 686 . 11 1 1 A 56 56 LEU CB C 56 45.328 46.455 -1.127 1
1 690 . 11 1 1 A 56 56 LEU N N 56 117.411 117.797 -0.386 1
1 691 . 11 1 1 A 57 57 VAL H H 57 9.207 8.748 0.459 1
1 692 . 11 1 1 A 57 57 VAL HA H 57 4.633 4.650 -0.017 1
1 700 . 11 1 1 A 57 57 VAL C C 57 172.465 173.754 -1.289 1
1 701 . 11 1 1 A 57 57 VAL CA C 57 59.970 60.284 -0.314 1
1 702 . 11 1 1 A 57 57 VAL CB C 57 35.376 35.393 -0.017 1
1 705 . 11 1 1 A 57 57 VAL N N 57 121.448 118.922 2.526 1
1 706 . 11 1 1 A 58 58 LEU H H 58 8.855 8.861 -0.006 1
1 707 . 11 1 1 A 58 58 LEU HA H 58 4.763 4.787 -0.024 1
1 717 . 11 1 1 A 58 58 LEU C C 58 175.349 174.868 0.481 1
1 718 . 11 1 1 A 58 58 LEU CA C 58 52.286 53.495 -1.209 1
1 719 . 11 1 1 A 58 58 LEU CB C 58 46.390 44.028 2.362 1
1 723 . 11 1 1 A 58 58 LEU N N 58 124.476 128.506 -4.030 1
1 724 . 11 1 1 A 59 59 LEU H H 59 9.265 8.980 0.285 1
1 725 . 11 1 1 A 59 59 LEU HA H 59 4.714 4.445 0.269 1
1 735 . 11 1 1 A 59 59 LEU C C 59 175.262 176.006 -0.744 1
1 736 . 11 1 1 A 59 59 LEU CA C 59 52.753 53.816 -1.063 1
1 737 . 11 1 1 A 59 59 LEU CB C 59 42.431 42.350 0.081 1
1 741 . 11 1 1 A 59 59 LEU N N 59 125.973 128.385 -2.412 1
1 742 . 11 1 1 A 60 60 ALA H H 60 8.331 8.428 -0.097 1
1 743 . 11 1 1 A 60 60 ALA HA H 60 4.739 5.042 -0.303 1
1 747 . 11 1 1 A 60 60 ALA C C 60 175.631 175.514 0.117 1
1 748 . 11 1 1 A 60 60 ALA CA C 60 50.320 50.767 -0.447 1
1 749 . 11 1 1 A 60 60 ALA CB C 60 21.744 22.389 -0.645 1
1 750 . 11 1 1 A 60 60 ALA N N 60 124.617 123.524 1.093 1
1 751 . 11 1 1 A 61 61 VAL H H 61 8.944 8.693 0.251 1
1 752 . 11 1 1 A 61 61 VAL HA H 61 4.244 4.902 -0.658 1
1 760 . 11 1 1 A 61 61 VAL C C 61 174.674 174.704 -0.030 1
1 761 . 11 1 1 A 61 61 VAL CA C 61 60.770 60.394 0.376 1
1 762 . 11 1 1 A 61 61 VAL CB C 61 36.636 35.801 0.835 1
1 765 . 11 1 1 A 61 61 VAL N N 61 124.079 121.385 2.694 1
1 766 . 11 1 1 A 62 62 GLU H H 62 8.490 8.711 -0.221 1
1 767 . 11 1 1 A 62 62 GLU HA H 62 4.551 4.274 0.277 1
1 772 . 11 1 1 A 62 62 GLU C C 62 177.700 177.473 0.227 1
1 773 . 11 1 1 A 62 62 GLU CA C 62 56.879 57.058 -0.179 1
1 774 . 11 1 1 A 62 62 GLU CB C 62 29.372 29.838 -0.466 1
1 776 . 11 1 1 A 62 62 GLU N N 62 127.752 125.804 1.948 1
1 777 . 11 1 1 A 63 63 ALA H H 63 9.173 9.008 0.165 1
1 778 . 11 1 1 A 63 63 ALA HA H 63 3.991 4.087 -0.096 1
1 782 . 11 1 1 A 63 63 ALA C C 63 180.311 179.691 0.620 1
1 783 . 11 1 1 A 63 63 ALA CA C 63 54.850 55.142 -0.292 1
1 784 . 11 1 1 A 63 63 ALA CB C 63 19.495 18.254 1.241 1
1 785 . 11 1 1 A 63 63 ALA N N 63 127.466 127.542 -0.076 1
1 786 . 11 1 1 A 64 64 GLU H H 64 9.571 8.274 1.297 1
1 787 . 11 1 1 A 64 64 GLU HA H 64 4.146 4.114 0.032 1
1 792 . 11 1 1 A 64 64 GLU C C 64 177.102 176.819 0.283 1
1 793 . 11 1 1 A 64 64 GLU CA C 64 63.532 61.316 2.216 1
1 794 . 11 1 1 A 64 64 GLU CB C 64 25.742 28.197 -2.455 1
1 796 . 11 1 1 A 64 64 GLU N N 64 120.368 118.815 1.553 1
1 797 . 11 1 1 A 65 65 PRO HA H 65 4.440 4.384 0.056 1
1 804 . 11 1 1 A 65 65 PRO C C 65 177.332 178.322 -0.990 1
1 805 . 11 1 1 A 65 65 PRO CA C 65 64.973 64.411 0.562 1
1 806 . 11 1 1 A 65 65 PRO CB C 65 31.341 32.045 -0.704 1
1 809 . 11 1 1 A 66 66 LEU H H 66 7.412 7.578 -0.166 1
1 810 . 11 1 1 A 66 66 LEU HA H 66 4.023 4.090 -0.067 1
1 820 . 11 1 1 A 66 66 LEU C C 66 178.533 177.046 1.487 1
1 821 . 11 1 1 A 66 66 LEU CA C 66 55.861 56.611 -0.750 1
1 822 . 11 1 1 A 66 66 LEU CB C 66 41.349 42.664 -1.315 1
1 826 . 11 1 1 A 66 66 LEU N N 66 114.991 117.781 -2.790 1
1 827 . 11 1 1 A 67 67 GLY H H 67 7.733 7.786 -0.053 1
1 828 . 11 1 1 A 67 67 GLY HA2 H 67 4.018 4.083 -0.065 1
1 829 . 11 1 1 A 67 67 GLY HA3 H 67 3.909 4.087 -0.178 1
1 830 . 11 1 1 A 67 67 GLY C C 67 175.925 174.857 1.068 1
1 831 . 11 1 1 A 67 67 GLY CA C 67 46.054 45.332 0.722 1
1 832 . 11 1 1 A 67 67 GLY N N 67 104.242 105.822 -1.580 1
1 833 . 11 1 1 A 68 68 GLU H H 68 8.887 8.469 0.418 1
1 834 . 11 1 1 A 68 68 GLU HA H 68 4.219 4.001 0.218 1
1 839 . 11 1 1 A 68 68 GLU C C 68 176.314 175.981 0.333 1
1 840 . 11 1 1 A 68 68 GLU CA C 68 57.652 57.710 -0.058 1
1 841 . 11 1 1 A 68 68 GLU CB C 68 29.306 27.432 1.874 1
1 843 . 11 1 1 A 68 68 GLU N N 68 121.253 111.991 9.262 1
1 844 . 11 1 1 A 69 69 ASP H H 69 7.630 8.065 -0.435 1
1 845 . 11 1 1 A 69 69 ASP HA H 69 4.587 4.536 0.051 1
1 848 . 11 1 1 A 69 69 ASP C C 69 174.665 175.983 -1.318 1
1 849 . 11 1 1 A 69 69 ASP CA C 69 56.078 56.020 0.058 1
1 850 . 11 1 1 A 69 69 ASP CB C 69 41.572 40.535 1.037 1
1 851 . 11 1 1 A 69 69 ASP N N 69 116.486 118.615 -2.129 1
1 852 . 11 1 1 A 70 70 LEU H H 70 7.433 7.352 0.081 1
1 853 . 11 1 1 A 70 70 LEU HA H 70 4.854 4.481 0.373 1
1 863 . 11 1 1 A 70 70 LEU C C 70 174.259 175.451 -1.192 1
1 864 . 11 1 1 A 70 70 LEU CA C 70 53.281 54.259 -0.978 1
1 865 . 11 1 1 A 70 70 LEU CB C 70 43.024 43.434 -0.410 1
1 869 . 11 1 1 A 70 70 LEU N N 70 121.585 121.896 -0.311 1
1 870 . 11 1 1 A 71 71 LYS H H 71 9.114 8.946 0.168 1
1 871 . 11 1 1 A 71 71 LYS HA H 71 4.724 4.874 -0.150 1
1 880 . 11 1 1 A 71 71 LYS C C 71 175.146 175.034 0.112 1
1 881 . 11 1 1 A 71 71 LYS CA C 71 54.024 54.992 -0.968 1
1 882 . 11 1 1 A 71 71 LYS CB C 71 35.469 33.600 1.869 1
1 886 . 11 1 1 A 71 71 LYS N N 71 126.179 127.337 -1.158 1
1 887 . 11 1 1 A 72 72 TRP H H 72 8.981 9.056 -0.075 1
1 888 . 11 1 1 A 72 72 TRP HA H 72 4.720 4.849 -0.129 1
1 897 . 11 1 1 A 72 72 TRP C C 72 176.394 175.507 0.887 1
1 898 . 11 1 1 A 72 72 TRP CA C 72 55.876 57.369 -1.493 1
1 899 . 11 1 1 A 72 72 TRP CB C 72 27.789 28.782 -0.993 1
1 905 . 11 1 1 A 72 72 TRP N N 72 125.904 128.402 -2.498 1
1 907 . 11 1 1 A 73 73 GLU H H 73 8.558 8.904 -0.346 1
1 908 . 11 1 1 A 73 73 GLU HA H 73 4.762 5.129 -0.367 1
1 913 . 11 1 1 A 73 73 GLU C C 73 175.459 176.283 -0.824 1
1 914 . 11 1 1 A 73 73 GLU CA C 73 55.208 54.541 0.667 1
1 915 . 11 1 1 A 73 73 GLU CB C 73 32.615 33.349 -0.734 1
1 917 . 11 1 1 A 73 73 GLU N N 73 123.290 126.577 -3.287 1
1 918 . 11 1 1 A 74 74 ALA H H 74 8.962 8.625 0.337 1
1 919 . 11 1 1 A 74 74 ALA HA H 74 4.738 4.994 -0.256 1
1 923 . 11 1 1 A 74 74 ALA C C 74 177.803 176.804 0.999 1
1 924 . 11 1 1 A 74 74 ALA CA C 74 52.246 51.837 0.409 1
1 925 . 11 1 1 A 74 74 ALA CB C 74 20.070 20.242 -0.172 1
1 926 . 11 1 1 A 74 74 ALA N N 74 127.315 128.055 -0.740 1
1 927 . 11 1 1 A 75 75 SER H H 75 8.762 8.798 -0.036 1
1 928 . 11 1 1 A 75 75 SER HA H 75 4.850 4.881 -0.031 1
1 931 . 11 1 1 A 75 75 SER C C 75 176.080 172.944 3.136 1
1 932 . 11 1 1 A 75 75 SER CA C 75 56.954 56.236 0.718 1
1 933 . 11 1 1 A 75 75 SER CB C 75 65.244 65.670 -0.426 1
1 934 . 11 1 1 A 75 75 SER N N 75 117.745 113.592 4.153 1
1 935 . 11 1 1 A 76 76 ARG HA H 76 4.193 3.929 0.264 1
1 943 . 11 1 1 A 76 76 ARG CA C 76 58.895 58.300 0.595 1
1 944 . 11 1 1 A 76 76 ARG CB C 76 29.877 29.797 0.080 1
1 947 . 11 1 1 A 77 77 GLY C C 77 175.277 175.582 -0.305 1
1 948 . 11 1 1 A 78 78 GLY H H 78 8.045 8.583 -0.538 1
1 949 . 11 1 1 A 78 78 GLY HA2 H 78 4.390 3.986 0.404 1
1 950 . 11 1 1 A 78 78 GLY HA3 H 78 3.786 3.991 -0.205 1
1 951 . 11 1 1 A 78 78 GLY C C 78 173.503 173.625 -0.122 1
1 952 . 11 1 1 A 78 78 GLY CA C 78 45.296 45.633 -0.337 1
1 953 . 11 1 1 A 78 78 GLY N N 78 110.323 109.698 0.625 1
1 954 . 11 1 1 A 79 79 ALA H H 79 7.879 7.974 -0.095 1
1 955 . 11 1 1 A 79 79 ALA HA H 79 4.357 4.364 -0.007 1
1 959 . 11 1 1 A 79 79 ALA C C 79 176.674 177.206 -0.532 1
1 960 . 11 1 1 A 79 79 ALA CA C 79 52.151 51.318 0.833 1
1 961 . 11 1 1 A 79 79 ALA CB C 79 20.171 20.147 0.024 1
1 962 . 11 1 1 A 79 79 ALA N N 79 123.865 123.395 0.470 1
1 963 . 11 1 1 A 80 80 ARG H H 80 8.375 8.608 -0.233 1
1 964 . 11 1 1 A 80 80 ARG HA H 80 4.629 4.738 -0.109 1
1 972 . 11 1 1 A 80 80 ARG C C 80 175.713 175.035 0.678 1
1 973 . 11 1 1 A 80 80 ARG CA C 80 55.622 55.669 -0.047 1
1 974 . 11 1 1 A 80 80 ARG CB C 80 32.074 31.143 0.931 1
1 977 . 11 1 1 A 80 80 ARG N N 80 119.145 123.560 -4.415 1
1 979 . 11 1 1 A 81 81 PHE H H 81 8.722 8.929 -0.207 1
1 980 . 11 1 1 A 81 81 PHE HA H 81 5.156 4.717 0.439 1
1 988 . 11 1 1 A 81 81 PHE C C 81 172.806 173.747 -0.941 1
1 989 . 11 1 1 A 81 81 PHE CA C 81 54.950 55.665 -0.715 1
1 990 . 11 1 1 A 81 81 PHE CB C 81 42.240 39.840 2.400 1
1 996 . 11 1 1 A 81 81 PHE N N 81 123.774 123.359 0.415 1
1 997 . 11 1 1 A 82 82 PRO HA H 82 3.635 3.883 -0.248 1
1 1004 . 11 1 1 A 82 82 PRO C C 82 174.511 175.623 -1.112 1
1 1005 . 11 1 1 A 82 82 PRO CA C 82 61.347 62.054 -0.707 1
1 1006 . 11 1 1 A 82 82 PRO CB C 82 29.495 30.095 -0.600 1
1 1009 . 11 1 1 A 83 83 HIS H H 83 8.831 8.718 0.113 1
1 1010 . 11 1 1 A 83 83 HIS HA H 83 5.330 4.749 0.581 1
1 1014 . 11 1 1 A 83 83 HIS C C 83 172.952 173.953 -1.001 1
1 1015 . 11 1 1 A 83 83 HIS CA C 83 50.700 54.932 -4.232 1
1 1016 . 11 1 1 A 83 83 HIS CB C 83 33.238 29.180 4.058 1
1 1018 . 11 1 1 A 83 83 HIS N N 83 124.483 122.901 1.582 1
1 1019 . 11 1 1 A 84 84 LEU H H 84 9.063 8.887 0.176 1
1 1020 . 11 1 1 A 84 84 LEU HA H 84 5.163 4.586 0.577 1
1 1030 . 11 1 1 A 84 84 LEU C C 84 176.699 177.043 -0.344 1
1 1031 . 11 1 1 A 84 84 LEU CA C 84 53.829 53.592 0.237 1
1 1032 . 11 1 1 A 84 84 LEU CB C 84 45.366 43.507 1.859 1
1 1036 . 11 1 1 A 84 84 LEU N N 84 125.218 126.601 -1.383 1
1 1037 . 11 1 1 A 85 85 TYR H H 85 9.058 8.032 1.026 1
1 1038 . 11 1 1 A 85 85 TYR HA H 85 4.508 4.934 -0.426 1
1 1045 . 11 1 1 A 85 85 TYR C C 85 173.624 174.483 -0.859 1
1 1046 . 11 1 1 A 85 85 TYR CA C 85 60.034 57.459 2.575 1
1 1047 . 11 1 1 A 85 85 TYR CB C 85 36.073 39.720 -3.647 1
1 1052 . 11 1 1 A 85 85 TYR N N 85 131.339 123.954 7.385 1
1 1053 . 11 1 1 A 86 86 ARG H H 86 7.432 7.482 -0.050 1
1 1054 . 11 1 1 A 86 86 ARG HA H 86 4.682 4.638 0.044 1
1 1062 . 11 1 1 A 86 86 ARG C C 86 171.917 173.584 -1.667 1
1 1063 . 11 1 1 A 86 86 ARG CA C 86 54.953 52.254 2.699 1
1 1064 . 11 1 1 A 86 86 ARG CB C 86 28.209 31.340 -3.131 1
1 1067 . 11 1 1 A 86 86 ARG N N 86 114.399 120.875 -6.476 1
1 1069 . 11 1 1 A 87 87 PRO HA H 87 4.303 4.394 -0.091 1
1 1076 . 11 1 1 A 87 87 PRO C C 87 175.771 176.511 -0.740 1
1 1077 . 11 1 1 A 87 87 PRO CA C 87 63.497 63.291 0.206 1
1 1078 . 11 1 1 A 87 87 PRO CB C 87 32.253 31.629 0.624 1
1 1081 . 11 1 1 A 88 88 LEU H H 88 8.095 8.309 -0.214 1
1 1082 . 11 1 1 A 88 88 LEU HA H 88 4.286 4.528 -0.242 1
1 1092 . 11 1 1 A 88 88 LEU C C 88 175.946 175.432 0.514 1
1 1093 . 11 1 1 A 88 88 LEU CA C 88 53.675 54.856 -1.181 1
1 1094 . 11 1 1 A 88 88 LEU CB C 88 45.548 42.490 3.058 1
1 1098 . 11 1 1 A 88 88 LEU N N 88 125.942 123.479 2.463 1
1 1099 . 11 1 1 A 89 89 LEU H H 89 9.224 7.978 1.246 1
1 1100 . 11 1 1 A 89 89 LEU HA H 89 4.561 4.291 0.270 1
1 1110 . 11 1 1 A 89 89 LEU C C 89 179.295 177.372 1.923 1
1 1111 . 11 1 1 A 89 89 LEU CA C 89 55.212 55.902 -0.690 1
1 1112 . 11 1 1 A 89 89 LEU CB C 89 41.460 41.820 -0.360 1
1 1116 . 11 1 1 A 89 89 LEU N N 89 128.295 127.889 0.406 1
1 1117 . 11 1 1 A 90 90 VAL H H 90 7.665 8.581 -0.916 1
1 1118 . 11 1 1 A 90 90 VAL HA H 90 3.785 3.800 -0.015 1
1 1126 . 11 1 1 A 90 90 VAL C C 90 178.510 177.630 0.880 1
1 1127 . 11 1 1 A 90 90 VAL CA C 90 66.833 66.210 0.623 1
1 1128 . 11 1 1 A 90 90 VAL CB C 90 31.330 31.576 -0.246 1
1 1131 . 11 1 1 A 90 90 VAL N N 90 122.696 124.333 -1.637 1
1 1132 . 11 1 1 A 91 91 SER H H 91 8.134 8.149 -0.015 1
1 1133 . 11 1 1 A 91 91 SER HA H 91 4.280 4.358 -0.078 1
1 1136 . 11 1 1 A 91 91 SER C C 91 175.328 174.882 0.446 1
1 1137 . 11 1 1 A 91 91 SER CA C 91 59.822 60.330 -0.508 1
1 1138 . 11 1 1 A 91 91 SER CB C 91 62.512 63.067 -0.555 1
1 1139 . 11 1 1 A 91 91 SER N N 91 112.443 116.938 -4.495 1
1 1140 . 11 1 1 A 92 92 GLU H H 92 7.598 8.304 -0.706 1
1 1141 . 11 1 1 A 92 92 GLU HA H 92 4.221 4.540 -0.319 1
1 1146 . 11 1 1 A 92 92 GLU C C 92 175.722 176.610 -0.888 1
1 1147 . 11 1 1 A 92 92 GLU CA C 92 56.594 56.191 0.403 1
1 1148 . 11 1 1 A 92 92 GLU CB C 92 29.511 30.603 -1.092 1
1 1150 . 11 1 1 A 92 92 GLU N N 92 120.359 119.846 0.513 1
1 1151 . 11 1 1 A 93 93 VAL H H 93 7.486 7.289 0.197 1
1 1152 . 11 1 1 A 93 93 VAL HA H 93 4.046 4.008 0.038 1
1 1160 . 11 1 1 A 93 93 VAL C C 93 176.093 175.653 0.440 1
1 1161 . 11 1 1 A 93 93 VAL CA C 93 63.242 63.359 -0.117 1
1 1162 . 11 1 1 A 93 93 VAL CB C 93 32.306 31.838 0.468 1
1 1165 . 11 1 1 A 93 93 VAL N N 93 121.222 121.564 -0.342 1
1 1166 . 11 1 1 A 94 94 THR H H 94 9.003 8.790 0.213 1
1 1167 . 11 1 1 A 94 94 THR HA H 94 4.264 4.101 0.163 1
1 1172 . 11 1 1 A 94 94 THR C C 94 174.664 175.073 -0.409 1
1 1173 . 11 1 1 A 94 94 THR CA C 94 64.438 64.539 -0.101 1
1 1174 . 11 1 1 A 94 94 THR CB C 94 69.317 69.147 0.170 1
1 1176 . 11 1 1 A 94 94 THR N N 94 124.794 120.941 3.853 1
1 1177 . 11 1 1 A 95 95 ARG H H 95 7.514 7.649 -0.135 1
1 1178 . 11 1 1 A 95 95 ARG HA H 95 4.646 4.765 -0.119 1
1 1186 . 11 1 1 A 95 95 ARG C C 95 172.989 173.851 -0.862 1
1 1187 . 11 1 1 A 95 95 ARG CA C 95 55.872 54.953 0.919 1
1 1188 . 11 1 1 A 95 95 ARG CB C 95 33.789 34.502 -0.713 1
1 1191 . 11 1 1 A 95 95 ARG N N 95 118.660 118.743 -0.083 1
1 1193 . 11 1 1 A 96 96 GLU H H 96 8.545 8.838 -0.293 1
1 1194 . 11 1 1 A 96 96 GLU HA H 96 5.329 4.873 0.456 1
1 1199 . 11 1 1 A 96 96 GLU C C 96 174.480 174.445 0.035 1
1 1200 . 11 1 1 A 96 96 GLU CA C 96 53.415 54.839 -1.424 1
1 1201 . 11 1 1 A 96 96 GLU CB C 96 33.592 30.976 2.616 1
1 1203 . 11 1 1 A 96 96 GLU N N 96 121.828 118.885 2.943 1
1 1204 . 11 1 1 A 97 97 ALA H H 97 8.276 8.827 -0.551 1
1 1205 . 11 1 1 A 97 97 ALA HA H 97 4.537 5.114 -0.577 1
1 1209 . 11 1 1 A 97 97 ALA C C 97 175.233 176.106 -0.873 1
1 1210 . 11 1 1 A 97 97 ALA CA C 97 51.368 50.148 1.220 1
1 1211 . 11 1 1 A 97 97 ALA CB C 97 22.101 20.412 1.689 1
1 1212 . 11 1 1 A 97 97 ALA N N 97 123.211 128.381 -5.170 1
1 1213 . 11 1 1 A 98 98 ASP H H 98 8.399 8.849 -0.450 1
1 1214 . 11 1 1 A 98 98 ASP HA H 98 4.850 4.778 0.072 1
1 1217 . 11 1 1 A 98 98 ASP C C 98 176.085 175.769 0.316 1
1 1218 . 11 1 1 A 98 98 ASP CA C 98 54.824 54.367 0.457 1
1 1219 . 11 1 1 A 98 98 ASP CB C 98 41.694 41.856 -0.162 1
1 1220 . 11 1 1 A 98 98 ASP N N 98 122.093 123.489 -1.396 1
1 1221 . 11 1 1 A 99 99 LEU H H 99 7.854 8.765 -0.911 1
1 1222 . 11 1 1 A 99 99 LEU HA H 99 4.766 5.121 -0.355 1
1 1232 . 11 1 1 A 99 99 LEU C C 99 176.250 175.117 1.133 1
1 1233 . 11 1 1 A 99 99 LEU CA C 99 53.544 53.566 -0.022 1
1 1234 . 11 1 1 A 99 99 LEU CB C 99 44.229 46.092 -1.863 1
1 1238 . 11 1 1 A 99 99 LEU N N 99 120.272 119.261 1.011 1
1 1239 . 11 1 1 A 100 100 ASP H H 100 9.215 8.983 0.232 1
1 1240 . 11 1 1 A 100 100 ASP HA H 100 4.935 5.446 -0.511 1
1 1243 . 11 1 1 A 100 100 ASP C C 100 174.956 174.398 0.558 1
1 1244 . 11 1 1 A 100 100 ASP CA C 100 52.684 52.325 0.359 1
1 1245 . 11 1 1 A 100 100 ASP CB C 100 43.362 43.498 -0.136 1
1 1246 . 11 1 1 A 100 100 ASP N N 100 123.325 120.100 3.225 1
1 1247 . 11 1 1 A 101 101 LEU H H 101 8.526 8.479 0.047 1
1 1248 . 11 1 1 A 101 101 LEU HA H 101 4.639 5.412 -0.773 1
1 1258 . 11 1 1 A 101 101 LEU C C 101 178.204 174.928 3.276 1
1 1259 . 11 1 1 A 101 101 LEU CA C 101 53.490 53.428 0.062 1
1 1260 . 11 1 1 A 101 101 LEU CB C 101 44.374 45.257 -0.883 1
1 1264 . 11 1 1 A 101 101 LEU N N 101 118.539 119.436 -0.897 1
1 1265 . 11 1 1 A 102 102 ASP H H 102 8.029 8.715 -0.686 1
1 1266 . 11 1 1 A 102 102 ASP HA H 102 4.615 5.039 -0.424 1
1 1269 . 11 1 1 A 102 102 ASP C C 102 178.176 176.033 2.143 1
1 1270 . 11 1 1 A 102 102 ASP CA C 102 52.297 52.569 -0.272 1
1 1271 . 11 1 1 A 102 102 ASP CB C 102 41.108 43.503 -2.395 1
1 1272 . 11 1 1 A 102 102 ASP N N 102 121.008 122.750 -1.742 1
1 1273 . 11 1 1 A 103 103 ALA H H 103 8.384 8.678 -0.294 1
1 1274 . 11 1 1 A 103 103 ALA HA H 103 4.099 3.875 0.224 1
1 1278 . 11 1 1 A 103 103 ALA C C 103 178.527 176.914 1.613 1
1 1279 . 11 1 1 A 103 103 ALA CA C 103 54.648 54.825 -0.177 1
1 1280 . 11 1 1 A 103 103 ALA CB C 103 18.604 17.971 0.633 1
1 1281 . 11 1 1 A 103 103 ALA N N 103 120.139 120.508 -0.369 1
1 1282 . 11 1 1 A 104 104 ASP H H 104 8.033 8.443 -0.410 1
1 1283 . 11 1 1 A 104 104 ASP HA H 104 4.811 4.894 -0.083 1
1 1286 . 11 1 1 A 104 104 ASP C C 104 176.113 176.274 -0.161 1
1 1287 . 11 1 1 A 104 104 ASP CA C 104 54.077 53.401 0.676 1
1 1288 . 11 1 1 A 104 104 ASP CB C 104 41.899 41.824 0.075 1
1 1289 . 11 1 1 A 104 104 ASP N N 104 116.590 116.449 0.141 1
1 1290 . 11 1 1 A 105 105 GLY H H 105 8.196 8.529 -0.333 1
1 1291 . 11 1 1 A 105 105 GLY HA2 H 105 4.293 3.972 0.321 1
1 1292 . 11 1 1 A 105 105 GLY HA3 H 105 3.657 3.975 -0.318 1
1 1293 . 11 1 1 A 105 105 GLY C C 105 173.635 174.190 -0.555 1
1 1294 . 11 1 1 A 105 105 GLY CA C 105 45.741 45.873 -0.132 1
1 1295 . 11 1 1 A 105 105 GLY N N 105 107.882 107.705 0.177 1
1 1296 . 11 1 1 A 106 106 VAL H H 106 8.886 7.982 0.904 1
1 1297 . 11 1 1 A 106 106 VAL HA H 106 4.082 4.473 -0.391 1
1 1305 . 11 1 1 A 106 106 VAL C C 106 175.529 174.992 0.537 1
1 1306 . 11 1 1 A 106 106 VAL CA C 106 61.360 58.796 2.564 1
1 1307 . 11 1 1 A 106 106 VAL CB C 106 32.373 34.421 -2.048 1
1 1310 . 11 1 1 A 106 106 VAL N N 106 125.585 120.569 5.016 1
1 1311 . 11 1 1 A 107 107 PRO HA H 107 4.737 4.962 -0.225 1
1 1318 . 11 1 1 A 107 107 PRO C C 107 176.029 176.494 -0.465 1
1 1319 . 11 1 1 A 107 107 PRO CA C 107 62.674 62.203 0.471 1
1 1320 . 11 1 1 A 107 107 PRO CB C 107 31.789 29.095 2.694 1
1 1323 . 11 1 1 A 108 108 GLN H H 108 8.563 8.183 0.380 1
1 1324 . 11 1 1 A 108 108 GLN HA H 108 4.498 4.356 0.142 1
1 1331 . 11 1 1 A 108 108 GLN C C 108 176.218 176.749 -0.531 1
1 1332 . 11 1 1 A 108 108 GLN CA C 108 54.901 55.726 -0.825 1
1 1333 . 11 1 1 A 108 108 GLN CB C 108 29.514 27.719 1.795 1
1 1336 . 11 1 1 A 108 108 GLN N N 108 122.641 121.851 0.790 1
1 1338 . 11 1 1 A 109 109 LEU H H 109 8.853 8.166 0.687 1
1 1339 . 11 1 1 A 109 109 LEU HA H 109 4.330 4.296 0.034 1
1 1349 . 11 1 1 A 109 109 LEU C C 109 178.151 178.070 0.081 1
1 1350 . 11 1 1 A 109 109 LEU CA C 109 56.522 56.255 0.267 1
1 1351 . 11 1 1 A 109 109 LEU CB C 109 41.883 41.747 0.136 1
1 1355 . 11 1 1 A 109 109 LEU N N 109 125.974 121.429 4.545 1
1 1356 . 11 1 1 A 110 110 GLY H H 110 8.809 8.237 0.572 1
1 1357 . 11 1 1 A 110 110 GLY HA2 H 110 3.952 3.897 0.055 1
1 1358 . 11 1 1 A 110 110 GLY HA3 H 110 3.551 3.900 -0.349 1
1 1359 . 11 1 1 A 110 110 GLY C C 110 176.002 175.788 0.214 1
1 1360 . 11 1 1 A 110 110 GLY CA C 110 48.748 46.918 1.830 1
1 1361 . 11 1 1 A 110 110 GLY N N 110 109.442 110.198 -0.756 1
1 1362 . 11 1 1 A 111 111 ASP H H 111 8.674 7.810 0.864 1
1 1363 . 11 1 1 A 111 111 ASP HA H 111 4.317 4.280 0.037 1
1 1366 . 11 1 1 A 111 111 ASP C C 111 177.159 178.475 -1.316 1
1 1367 . 11 1 1 A 111 111 ASP CA C 111 56.239 56.736 -0.497 1
1 1368 . 11 1 1 A 111 111 ASP CB C 111 39.791 39.793 -0.002 1
1 1369 . 11 1 1 A 111 111 ASP N N 111 119.503 121.476 -1.973 1
1 1370 . 11 1 1 A 112 112 HIS H H 112 7.471 8.032 -0.561 1
1 1371 . 11 1 1 A 112 112 HIS HA H 112 4.481 4.378 0.103 1
1 1376 . 11 1 1 A 112 112 HIS C C 112 177.121 175.163 1.958 1
1 1377 . 11 1 1 A 112 112 HIS CA C 112 56.692 58.653 -1.961 1
1 1378 . 11 1 1 A 112 112 HIS CB C 112 31.648 30.768 0.880 1
1 1381 . 11 1 1 A 112 112 HIS N N 112 116.681 115.916 0.765 1
1 1382 . 11 1 1 A 113 113 LEU H H 113 7.526 7.302 0.224 1
1 1383 . 11 1 1 A 113 113 LEU HA H 113 4.148 4.670 -0.522 1
1 1393 . 11 1 1 A 113 113 LEU C C 113 177.363 176.219 1.144 1
1 1394 . 11 1 1 A 113 113 LEU CA C 113 55.509 53.442 2.067 1
1 1395 . 11 1 1 A 113 113 LEU CB C 113 42.009 44.508 -2.499 1
1 1399 . 11 1 1 A 113 113 LEU N N 113 118.976 118.346 0.630 1
1 1400 . 11 1 1 A 114 114 ALA H H 114 7.648 8.483 -0.835 1
1 1401 . 11 1 1 A 114 114 ALA HA H 114 4.227 4.300 -0.073 1
1 1405 . 11 1 1 A 114 114 ALA C C 114 177.692 177.594 0.098 1
1 1406 . 11 1 1 A 114 114 ALA CA C 114 52.828 54.350 -1.522 1
1 1407 . 11 1 1 A 114 114 ALA CB C 114 18.497 19.423 -0.926 1
1 1408 . 11 1 1 A 114 114 ALA N N 114 121.893 123.684 -1.791 1
1 1409 . 11 1 1 A 115 115 LEU H H 115 7.764 8.019 -0.255 1
1 1410 . 11 1 1 A 115 115 LEU HA H 115 4.146 4.227 -0.081 1
1 1420 . 11 1 1 A 115 115 LEU C C 115 177.819 176.078 1.741 1
1 1421 . 11 1 1 A 115 115 LEU CA C 115 55.771 56.942 -1.171 1
1 1422 . 11 1 1 A 115 115 LEU CB C 115 42.000 40.814 1.186 1
1 1426 . 11 1 1 A 115 115 LEU N N 115 119.576 116.602 2.974 1
1 12 . 12 1 1 A 2 2 THR HA H 2 3.833 4.400 -0.567 1
1 17 . 12 1 1 A 2 2 THR C C 2 170.665 172.887 -2.222 1
1 18 . 12 1 1 A 2 2 THR CA C 2 62.154 62.595 -0.441 1
1 19 . 12 1 1 A 2 2 THR CB C 2 69.580 66.830 2.750 1
1 21 . 12 1 1 A 3 3 LEU H H 3 9.068 8.965 0.103 1
1 22 . 12 1 1 A 3 3 LEU HA H 3 4.887 4.927 -0.040 1
1 32 . 12 1 1 A 3 3 LEU C C 3 175.859 176.310 -0.451 1
1 33 . 12 1 1 A 3 3 LEU CA C 3 54.426 53.708 0.718 1
1 34 . 12 1 1 A 3 3 LEU CB C 3 43.222 44.618 -1.396 1
1 38 . 12 1 1 A 3 3 LEU N N 3 129.030 123.736 5.294 1
1 39 . 12 1 1 A 4 4 ILE H H 4 8.897 8.559 0.338 1
1 40 . 12 1 1 A 4 4 ILE HA H 4 4.753 5.018 -0.265 1
1 50 . 12 1 1 A 4 4 ILE C C 4 174.211 173.793 0.418 1
1 51 . 12 1 1 A 4 4 ILE CA C 4 59.998 58.826 1.172 1
1 52 . 12 1 1 A 4 4 ILE CB C 4 41.129 41.610 -0.481 1
1 56 . 12 1 1 A 4 4 ILE N N 4 115.702 118.321 -2.619 1
1 57 . 12 1 1 A 5 5 TYR H H 5 9.050 9.027 0.023 1
1 58 . 12 1 1 A 5 5 TYR HA H 5 5.770 5.612 0.158 1
1 65 . 12 1 1 A 5 5 TYR C C 5 175.987 174.356 1.631 1
1 66 . 12 1 1 A 5 5 TYR CA C 5 57.923 55.971 1.952 1
1 67 . 12 1 1 A 5 5 TYR CB C 5 42.963 42.898 0.065 1
1 72 . 12 1 1 A 5 5 TYR N N 5 114.414 121.767 -7.353 1
1 73 . 12 1 1 A 6 6 LYS H H 6 8.858 8.619 0.239 1
1 74 . 12 1 1 A 6 6 LYS HA H 6 4.813 4.948 -0.135 1
1 83 . 12 1 1 A 6 6 LYS C C 6 172.801 174.381 -1.580 1
1 84 . 12 1 1 A 6 6 LYS CA C 6 52.969 54.725 -1.756 1
1 85 . 12 1 1 A 6 6 LYS CB C 6 37.109 36.034 1.075 1
1 89 . 12 1 1 A 6 6 LYS N N 6 121.597 122.754 -1.157 1
1 90 . 12 1 1 A 7 7 ILE H H 7 8.277 8.639 -0.362 1
1 91 . 12 1 1 A 7 7 ILE HA H 7 4.702 5.005 -0.303 1
1 101 . 12 1 1 A 7 7 ILE C C 7 173.742 174.280 -0.538 1
1 102 . 12 1 1 A 7 7 ILE CA C 7 60.340 59.498 0.842 1
1 103 . 12 1 1 A 7 7 ILE CB C 7 38.941 38.902 0.039 1
1 107 . 12 1 1 A 7 7 ILE N N 7 128.212 127.998 0.214 1
1 108 . 12 1 1 A 8 8 LEU H H 8 8.627 8.507 0.120 1
1 109 . 12 1 1 A 8 8 LEU HA H 8 4.757 4.766 -0.009 1
1 119 . 12 1 1 A 8 8 LEU C C 8 173.661 175.390 -1.729 1
1 120 . 12 1 1 A 8 8 LEU CA C 8 54.530 53.709 0.821 1
1 121 . 12 1 1 A 8 8 LEU CB C 8 43.617 44.843 -1.226 1
1 125 . 12 1 1 A 8 8 LEU N N 8 126.590 123.819 2.771 1
1 126 . 12 1 1 A 9 9 SER H H 9 8.546 8.851 -0.305 1
1 127 . 12 1 1 A 9 9 SER HA H 9 4.765 5.052 -0.287 1
1 130 . 12 1 1 A 9 9 SER C C 9 175.160 175.397 -0.237 1
1 131 . 12 1 1 A 9 9 SER CA C 9 58.520 57.571 0.949 1
1 132 . 12 1 1 A 9 9 SER CB C 9 65.227 64.454 0.773 1
1 133 . 12 1 1 A 9 9 SER N N 9 115.543 115.422 0.121 1
1 134 . 12 1 1 A 10 10 ARG H H 10 9.080 8.810 0.270 1
1 135 . 12 1 1 A 10 10 ARG HA H 10 4.037 4.113 -0.076 1
1 143 . 12 1 1 A 10 10 ARG C C 10 177.847 177.955 -0.108 1
1 144 . 12 1 1 A 10 10 ARG CA C 10 59.210 59.305 -0.095 1
1 145 . 12 1 1 A 10 10 ARG CB C 10 28.776 29.718 -0.942 1
1 148 . 12 1 1 A 10 10 ARG N N 10 123.688 122.700 0.988 1
1 150 . 12 1 1 A 11 11 ALA H H 11 8.753 8.311 0.442 1
1 151 . 12 1 1 A 11 11 ALA HA H 11 4.248 4.054 0.194 1
1 155 . 12 1 1 A 11 11 ALA C C 11 181.848 179.730 2.118 1
1 156 . 12 1 1 A 11 11 ALA CA C 11 55.483 54.916 0.567 1
1 157 . 12 1 1 A 11 11 ALA CB C 11 18.209 18.331 -0.122 1
1 158 . 12 1 1 A 11 11 ALA N N 11 119.698 122.103 -2.405 1
1 159 . 12 1 1 A 12 12 GLU H H 12 7.957 7.750 0.207 1
1 160 . 12 1 1 A 12 12 GLU HA H 12 4.183 4.245 -0.062 1
1 165 . 12 1 1 A 12 12 GLU C C 12 179.576 178.972 0.604 1
1 166 . 12 1 1 A 12 12 GLU CA C 12 59.103 58.910 0.193 1
1 167 . 12 1 1 A 12 12 GLU CB C 12 31.077 29.585 1.492 1
1 169 . 12 1 1 A 12 12 GLU N N 12 118.210 118.109 0.101 1
1 170 . 12 1 1 A 13 13 TRP H H 13 8.585 8.084 0.501 1
1 171 . 12 1 1 A 13 13 TRP HA H 13 4.937 4.197 0.740 1
1 180 . 12 1 1 A 13 13 TRP C C 13 176.827 178.150 -1.323 1
1 181 . 12 1 1 A 13 13 TRP CA C 13 57.845 60.988 -3.143 1
1 182 . 12 1 1 A 13 13 TRP CB C 13 31.010 29.394 1.616 1
1 188 . 12 1 1 A 13 13 TRP N N 13 123.646 122.547 1.099 1
1 190 . 12 1 1 A 14 14 ASP H H 14 9.260 8.670 0.590 1
1 191 . 12 1 1 A 14 14 ASP HA H 14 4.048 3.963 0.085 1
1 194 . 12 1 1 A 14 14 ASP C C 14 180.120 178.581 1.539 1
1 195 . 12 1 1 A 14 14 ASP CA C 14 57.767 57.139 0.628 1
1 196 . 12 1 1 A 14 14 ASP CB C 14 39.467 40.013 -0.546 1
1 197 . 12 1 1 A 14 14 ASP N N 14 120.253 118.526 1.727 1
1 198 . 12 1 1 A 15 15 ALA H H 15 7.599 8.188 -0.589 1
1 199 . 12 1 1 A 15 15 ALA HA H 15 4.163 4.019 0.144 1
1 203 . 12 1 1 A 15 15 ALA C C 15 180.115 179.752 0.363 1
1 204 . 12 1 1 A 15 15 ALA CA C 15 55.016 55.152 -0.136 1
1 205 . 12 1 1 A 15 15 ALA CB C 15 17.871 18.251 -0.380 1
1 206 . 12 1 1 A 15 15 ALA N N 15 122.164 122.930 -0.766 1
1 207 . 12 1 1 A 16 16 ALA H H 16 7.944 7.974 -0.030 1
1 208 . 12 1 1 A 16 16 ALA HA H 16 4.334 4.035 0.299 1
1 212 . 12 1 1 A 16 16 ALA C C 16 180.101 180.002 0.099 1
1 213 . 12 1 1 A 16 16 ALA CA C 16 54.659 55.349 -0.690 1
1 214 . 12 1 1 A 16 16 ALA CB C 16 19.107 18.312 0.795 1
1 215 . 12 1 1 A 16 16 ALA N N 16 122.526 119.646 2.880 1
1 216 . 12 1 1 A 17 17 LYS H H 17 8.317 7.743 0.574 1
1 217 . 12 1 1 A 17 17 LYS HA H 17 3.462 3.836 -0.374 1
1 226 . 12 1 1 A 17 17 LYS C C 17 179.126 178.616 0.510 1
1 227 . 12 1 1 A 17 17 LYS CA C 17 60.077 58.676 1.401 1
1 228 . 12 1 1 A 17 17 LYS CB C 17 31.431 31.769 -0.338 1
1 232 . 12 1 1 A 17 17 LYS N N 17 117.572 116.652 0.920 1
1 233 . 12 1 1 A 18 18 ALA H H 18 7.296 8.068 -0.772 1
1 234 . 12 1 1 A 18 18 ALA HA H 18 4.100 4.046 0.054 1
1 238 . 12 1 1 A 18 18 ALA C C 18 178.940 179.596 -0.656 1
1 239 . 12 1 1 A 18 18 ALA CA C 18 54.513 54.872 -0.359 1
1 240 . 12 1 1 A 18 18 ALA CB C 18 18.132 18.305 -0.173 1
1 241 . 12 1 1 A 18 18 ALA N N 18 119.644 122.139 -2.495 1
1 242 . 12 1 1 A 19 19 GLN H H 19 7.443 7.986 -0.543 1
1 243 . 12 1 1 A 19 19 GLN HA H 19 4.535 4.236 0.299 1
1 250 . 12 1 1 A 19 19 GLN C C 19 176.607 176.505 0.102 1
1 251 . 12 1 1 A 19 19 GLN CA C 19 55.755 56.086 -0.331 1
1 252 . 12 1 1 A 19 19 GLN CB C 19 30.075 28.910 1.165 1
1 255 . 12 1 1 A 19 19 GLN N N 19 113.538 115.417 -1.879 1
1 257 . 12 1 1 A 20 20 GLY H H 20 8.277 9.075 -0.798 1
1 258 . 12 1 1 A 20 20 GLY HA2 H 20 4.450 3.874 0.576 1
1 259 . 12 1 1 A 20 20 GLY HA3 H 20 3.627 3.892 -0.265 1
1 260 . 12 1 1 A 20 20 GLY C C 20 174.006 173.495 0.511 1
1 261 . 12 1 1 A 20 20 GLY CA C 20 45.567 45.508 0.059 1
1 262 . 12 1 1 A 20 20 GLY N N 20 108.233 109.011 -0.778 1
1 263 . 12 1 1 A 21 21 ARG H H 21 7.786 7.742 0.044 1
1 264 . 12 1 1 A 21 21 ARG HA H 21 5.123 5.060 0.063 1
1 272 . 12 1 1 A 21 21 ARG C C 21 171.553 173.845 -2.292 1
1 273 . 12 1 1 A 21 21 ARG CA C 21 54.882 54.687 0.195 1
1 274 . 12 1 1 A 21 21 ARG CB C 21 32.114 33.705 -1.591 1
1 277 . 12 1 1 A 21 21 ARG N N 21 116.837 121.114 -4.277 1
1 279 . 12 1 1 A 22 22 PHE H H 22 9.821 9.492 0.329 1
1 280 . 12 1 1 A 22 22 PHE HA H 22 5.185 5.045 0.140 1
1 285 . 12 1 1 A 22 22 PHE C C 22 173.825 175.377 -1.552 1
1 286 . 12 1 1 A 22 22 PHE CA C 22 54.913 56.043 -1.130 1
1 287 . 12 1 1 A 22 22 PHE CB C 22 41.568 40.303 1.265 1
1 290 . 12 1 1 A 22 22 PHE N N 22 121.680 127.595 -5.915 1
1 291 . 12 1 1 A 23 23 GLU H H 23 9.053 8.929 0.124 1
1 292 . 12 1 1 A 23 23 GLU HA H 23 3.893 4.111 -0.218 1
1 297 . 12 1 1 A 23 23 GLU C C 23 174.856 175.963 -1.107 1
1 298 . 12 1 1 A 23 23 GLU CA C 23 56.781 56.698 0.083 1
1 299 . 12 1 1 A 23 23 GLU CB C 23 29.990 29.929 0.061 1
1 301 . 12 1 1 A 23 23 GLU N N 23 125.059 127.994 -2.935 1
1 302 . 12 1 1 A 24 24 GLY HA2 H 24 4.212 3.091 1.121 1
1 303 . 12 1 1 A 24 24 GLY HA3 H 24 3.112 3.726 -0.614 1
1 304 . 12 1 1 A 24 24 GLY C C 24 173.311 172.520 0.791 1
1 305 . 12 1 1 A 24 24 GLY CA C 24 45.104 43.356 1.748 1
1 306 . 12 1 1 A 25 25 SER H H 25 9.877 8.275 1.602 1
1 307 . 12 1 1 A 25 25 SER HA H 25 4.884 4.746 0.138 1
1 310 . 12 1 1 A 25 25 SER C C 25 173.788 175.716 -1.928 1
1 311 . 12 1 1 A 25 25 SER CA C 25 57.549 57.921 -0.372 1
1 312 . 12 1 1 A 25 25 SER CB C 25 65.383 65.454 -0.071 1
1 313 . 12 1 1 A 25 25 SER N N 25 121.073 113.533 7.540 1
1 314 . 12 1 1 A 26 26 ALA H H 26 9.097 8.759 0.338 1
1 315 . 12 1 1 A 26 26 ALA HA H 26 3.964 3.996 -0.032 1
1 319 . 12 1 1 A 26 26 ALA C C 26 181.102 179.699 1.403 1
1 320 . 12 1 1 A 26 26 ALA CA C 26 56.670 55.367 1.303 1
1 321 . 12 1 1 A 26 26 ALA CB C 26 17.927 18.389 -0.462 1
1 322 . 12 1 1 A 26 26 ALA N N 26 123.398 123.702 -0.304 1
1 323 . 12 1 1 A 27 27 VAL H H 27 7.928 7.449 0.479 1
1 324 . 12 1 1 A 27 27 VAL HA H 27 3.593 3.584 0.009 1
1 332 . 12 1 1 A 27 27 VAL C C 27 176.628 177.867 -1.239 1
1 333 . 12 1 1 A 27 27 VAL CA C 27 65.257 66.740 -1.483 1
1 334 . 12 1 1 A 27 27 VAL CB C 27 31.688 31.620 0.068 1
1 337 . 12 1 1 A 27 27 VAL N N 27 117.697 117.586 0.111 1
1 338 . 12 1 1 A 28 28 ASP H H 28 6.927 8.228 -1.301 1
1 339 . 12 1 1 A 28 28 ASP HA H 28 4.512 4.688 -0.176 1
1 342 . 12 1 1 A 28 28 ASP C C 28 178.402 178.655 -0.253 1
1 343 . 12 1 1 A 28 28 ASP CA C 28 56.586 57.598 -1.012 1
1 344 . 12 1 1 A 28 28 ASP CB C 28 41.317 40.909 0.408 1
1 345 . 12 1 1 A 28 28 ASP N N 28 121.516 120.559 0.957 1
1 346 . 12 1 1 A 29 29 LEU H H 29 8.309 8.199 0.110 1
1 347 . 12 1 1 A 29 29 LEU HA H 29 3.764 3.973 -0.209 1
1 357 . 12 1 1 A 29 29 LEU C C 29 180.093 178.357 1.736 1
1 358 . 12 1 1 A 29 29 LEU CA C 29 57.091 57.267 -0.176 1
1 359 . 12 1 1 A 29 29 LEU CB C 29 41.418 41.312 0.106 1
1 363 . 12 1 1 A 29 29 LEU N N 29 118.648 120.714 -2.066 1
1 364 . 12 1 1 A 30 30 ALA H H 30 7.458 8.165 -0.707 1
1 365 . 12 1 1 A 30 30 ALA HA H 30 4.000 3.975 0.025 1
1 369 . 12 1 1 A 30 30 ALA C C 30 179.371 179.876 -0.505 1
1 370 . 12 1 1 A 30 30 ALA CA C 30 54.526 55.780 -1.254 1
1 371 . 12 1 1 A 30 30 ALA CB C 30 18.102 18.051 0.051 1
1 372 . 12 1 1 A 30 30 ALA N N 30 120.814 121.163 -0.349 1
1 373 . 12 1 1 A 31 31 ASP H H 31 7.682 8.035 -0.353 1
1 374 . 12 1 1 A 31 31 ASP HA H 31 4.410 4.525 -0.115 1
1 377 . 12 1 1 A 31 31 ASP C C 31 176.610 176.561 0.049 1
1 378 . 12 1 1 A 31 31 ASP CA C 31 55.271 54.824 0.447 1
1 379 . 12 1 1 A 31 31 ASP CB C 31 40.083 41.066 -0.983 1
1 380 . 12 1 1 A 31 31 ASP N N 31 117.191 116.828 0.363 1
1 381 . 12 1 1 A 32 32 GLY H H 32 7.909 8.257 -0.348 1
1 382 . 12 1 1 A 32 32 GLY HA2 H 32 4.090 3.623 0.467 1
1 383 . 12 1 1 A 32 32 GLY HA3 H 32 3.597 3.791 -0.194 1
1 384 . 12 1 1 A 32 32 GLY C C 32 173.168 173.531 -0.363 1
1 385 . 12 1 1 A 32 32 GLY CA C 32 45.112 45.000 0.112 1
1 386 . 12 1 1 A 32 32 GLY N N 32 106.983 106.854 0.129 1
1 387 . 12 1 1 A 33 33 PHE H H 33 7.233 7.808 -0.575 1
1 388 . 12 1 1 A 33 33 PHE HA H 33 4.212 4.353 -0.141 1
1 396 . 12 1 1 A 33 33 PHE C C 33 171.389 175.179 -3.790 1
1 397 . 12 1 1 A 33 33 PHE CA C 33 55.383 58.172 -2.789 1
1 398 . 12 1 1 A 33 33 PHE CB C 33 37.177 39.930 -2.753 1
1 404 . 12 1 1 A 33 33 PHE N N 33 115.364 119.494 -4.130 1
1 405 . 12 1 1 A 34 34 ILE H H 34 8.637 8.448 0.189 1
1 406 . 12 1 1 A 34 34 ILE HA H 34 3.817 4.067 -0.250 1
1 416 . 12 1 1 A 34 34 ILE C C 34 177.018 175.816 1.202 1
1 417 . 12 1 1 A 34 34 ILE CA C 34 60.724 62.700 -1.976 1
1 418 . 12 1 1 A 34 34 ILE CB C 34 39.266 37.474 1.792 1
1 422 . 12 1 1 A 34 34 ILE N N 34 114.086 125.424 -11.338 1
1 423 . 12 1 1 A 35 35 HIS H H 35 9.203 9.093 0.110 1
1 424 . 12 1 1 A 35 35 HIS HA H 35 4.448 4.866 -0.418 1
1 428 . 12 1 1 A 35 35 HIS C C 35 175.740 174.579 1.161 1
1 429 . 12 1 1 A 35 35 HIS CA C 35 57.757 55.807 1.950 1
1 430 . 12 1 1 A 35 35 HIS CB C 35 29.758 30.082 -0.324 1
1 432 . 12 1 1 A 35 35 HIS N N 35 127.988 126.450 1.538 1
1 433 . 12 1 1 A 36 36 LEU H H 36 8.454 8.510 -0.056 1
1 434 . 12 1 1 A 36 36 LEU HA H 36 5.190 4.342 0.848 1
1 444 . 12 1 1 A 36 36 LEU C C 36 174.813 177.346 -2.533 1
1 445 . 12 1 1 A 36 36 LEU CA C 36 56.019 56.045 -0.026 1
1 446 . 12 1 1 A 36 36 LEU CB C 36 44.541 42.832 1.709 1
1 450 . 12 1 1 A 36 36 LEU N N 36 126.075 125.758 0.317 1
1 451 . 12 1 1 A 37 37 SER H H 37 9.128 7.815 1.313 1
1 452 . 12 1 1 A 37 37 SER HA H 37 5.277 4.615 0.662 1
1 455 . 12 1 1 A 37 37 SER C C 37 174.433 173.876 0.557 1
1 456 . 12 1 1 A 37 37 SER CA C 37 57.990 60.497 -2.507 1
1 457 . 12 1 1 A 37 37 SER CB C 37 66.778 62.358 4.420 1
1 458 . 12 1 1 A 37 37 SER N N 37 112.795 112.778 0.017 1
1 459 . 12 1 1 A 38 38 ALA H H 38 9.665 8.575 1.090 1
1 460 . 12 1 1 A 38 38 ALA HA H 38 4.973 4.600 0.373 1
1 464 . 12 1 1 A 38 38 ALA C C 38 179.640 178.371 1.269 1
1 465 . 12 1 1 A 38 38 ALA CA C 38 52.303 51.589 0.714 1
1 466 . 12 1 1 A 38 38 ALA CB C 38 19.350 20.041 -0.691 1
1 467 . 12 1 1 A 38 38 ALA N N 38 127.103 125.918 1.185 1
1 468 . 12 1 1 A 39 39 GLY H H 39 10.159 8.870 1.289 1
1 469 . 12 1 1 A 39 39 GLY HA2 H 39 4.249 3.904 0.345 1
1 470 . 12 1 1 A 39 39 GLY HA3 H 39 3.720 3.987 -0.267 1
1 471 . 12 1 1 A 39 39 GLY C C 39 176.229 175.777 0.452 1
1 472 . 12 1 1 A 39 39 GLY CA C 39 49.163 47.370 1.793 1
1 473 . 12 1 1 A 39 39 GLY N N 39 112.007 106.428 5.579 1
1 474 . 12 1 1 A 40 40 GLU H H 40 9.367 8.089 1.278 1
1 475 . 12 1 1 A 40 40 GLU HA H 40 4.234 4.016 0.218 1
1 480 . 12 1 1 A 40 40 GLU C C 40 176.417 179.178 -2.761 1
1 481 . 12 1 1 A 40 40 GLU CA C 40 58.622 59.392 -0.770 1
1 482 . 12 1 1 A 40 40 GLU CB C 40 28.796 29.350 -0.554 1
1 484 . 12 1 1 A 40 40 GLU N N 40 117.243 121.217 -3.974 1
1 485 . 12 1 1 A 41 41 GLN H H 41 7.503 8.269 -0.766 1
1 486 . 12 1 1 A 41 41 GLN HA H 41 4.752 4.123 0.629 1
1 493 . 12 1 1 A 41 41 GLN C C 41 177.730 179.047 -1.317 1
1 494 . 12 1 1 A 41 41 GLN CA C 41 55.626 58.929 -3.303 1
1 495 . 12 1 1 A 41 41 GLN CB C 41 30.653 28.222 2.431 1
1 498 . 12 1 1 A 41 41 GLN N N 41 115.837 119.351 -3.514 1
1 500 . 12 1 1 A 42 42 ALA H H 42 7.519 8.397 -0.878 1
1 501 . 12 1 1 A 42 42 ALA HA H 42 3.927 4.144 -0.217 1
1 505 . 12 1 1 A 42 42 ALA C C 42 177.826 179.097 -1.271 1
1 506 . 12 1 1 A 42 42 ALA CA C 42 56.706 55.572 1.134 1
1 507 . 12 1 1 A 42 42 ALA CB C 42 18.247 18.356 -0.109 1
1 508 . 12 1 1 A 42 42 ALA N N 42 123.105 122.734 0.371 1
1 509 . 12 1 1 A 43 43 GLN H H 43 9.203 7.940 1.263 1
1 510 . 12 1 1 A 43 43 GLN HA H 43 3.942 3.990 -0.048 1
1 517 . 12 1 1 A 43 43 GLN C C 43 177.913 178.059 -0.146 1
1 518 . 12 1 1 A 43 43 GLN CA C 43 58.678 59.257 -0.579 1
1 519 . 12 1 1 A 43 43 GLN CB C 43 28.815 28.515 0.300 1
1 522 . 12 1 1 A 43 43 GLN N N 43 118.650 118.009 0.641 1
1 524 . 12 1 1 A 44 44 GLU H H 44 8.611 8.192 0.419 1
1 525 . 12 1 1 A 44 44 GLU HA H 44 4.207 4.096 0.111 1
1 530 . 12 1 1 A 44 44 GLU C C 44 179.090 179.484 -0.394 1
1 531 . 12 1 1 A 44 44 GLU CA C 44 59.246 58.997 0.249 1
1 532 . 12 1 1 A 44 44 GLU CB C 44 28.850 29.344 -0.494 1
1 534 . 12 1 1 A 44 44 GLU N N 44 122.042 119.790 2.252 1
1 535 . 12 1 1 A 45 45 THR H H 45 8.292 8.171 0.121 1
1 536 . 12 1 1 A 45 45 THR HA H 45 4.123 4.178 -0.055 1
1 541 . 12 1 1 A 45 45 THR C C 45 176.228 176.433 -0.205 1
1 542 . 12 1 1 A 45 45 THR CA C 45 66.902 66.313 0.589 1
1 543 . 12 1 1 A 45 45 THR CB C 45 68.949 68.668 0.281 1
1 545 . 12 1 1 A 45 45 THR N N 45 117.583 117.250 0.333 1
1 546 . 12 1 1 A 46 46 ALA H H 46 8.275 8.963 -0.688 1
1 547 . 12 1 1 A 46 46 ALA HA H 46 4.255 4.244 0.011 1
1 551 . 12 1 1 A 46 46 ALA C C 46 178.630 179.084 -0.454 1
1 552 . 12 1 1 A 46 46 ALA CA C 46 55.406 55.643 -0.237 1
1 553 . 12 1 1 A 46 46 ALA CB C 46 18.482 18.042 0.440 1
1 554 . 12 1 1 A 46 46 ALA N N 46 123.184 123.320 -0.136 1
1 555 . 12 1 1 A 47 47 ALA H H 47 8.066 8.400 -0.334 1
1 556 . 12 1 1 A 47 47 ALA HA H 47 3.953 4.008 -0.055 1
1 560 . 12 1 1 A 47 47 ALA C C 47 178.552 179.655 -1.103 1
1 561 . 12 1 1 A 47 47 ALA CA C 47 55.030 55.125 -0.095 1
1 562 . 12 1 1 A 47 47 ALA CB C 47 18.899 18.673 0.226 1
1 563 . 12 1 1 A 47 47 ALA N N 47 117.129 119.848 -2.719 1
1 564 . 12 1 1 A 48 48 LYS H H 48 8.089 7.442 0.647 1
1 565 . 12 1 1 A 48 48 LYS HA H 48 3.936 4.006 -0.070 1
1 574 . 12 1 1 A 48 48 LYS C C 48 179.130 177.692 1.438 1
1 575 . 12 1 1 A 48 48 LYS CA C 48 58.560 57.691 0.869 1
1 576 . 12 1 1 A 48 48 LYS CB C 48 33.122 33.135 -0.013 1
1 580 . 12 1 1 A 48 48 LYS N N 48 115.322 116.599 -1.277 1
1 581 . 12 1 1 A 49 49 TRP H H 49 7.978 7.981 -0.003 1
1 582 . 12 1 1 A 49 49 TRP HA H 49 4.807 4.632 0.175 1
1 591 . 12 1 1 A 49 49 TRP C C 49 176.923 176.149 0.774 1
1 592 . 12 1 1 A 49 49 TRP CA C 49 57.157 57.463 -0.306 1
1 593 . 12 1 1 A 49 49 TRP CB C 49 31.461 30.512 0.949 1
1 599 . 12 1 1 A 49 49 TRP N N 49 114.492 115.986 -1.494 1
1 601 . 12 1 1 A 50 50 PHE H H 50 7.740 8.111 -0.371 1
1 602 . 12 1 1 A 50 50 PHE HA H 50 4.925 4.739 0.186 1
1 608 . 12 1 1 A 50 50 PHE C C 50 174.160 175.493 -1.333 1
1 609 . 12 1 1 A 50 50 PHE CA C 50 57.772 59.269 -1.497 1
1 610 . 12 1 1 A 50 50 PHE CB C 50 39.610 40.917 -1.307 1
1 614 . 12 1 1 A 50 50 PHE N N 50 116.540 117.438 -0.898 1
1 615 . 12 1 1 A 51 51 ARG H H 51 7.389 8.555 -1.166 1
1 616 . 12 1 1 A 51 51 ARG HA H 51 4.198 4.212 -0.014 1
1 624 . 12 1 1 A 51 51 ARG C C 51 179.130 176.765 2.365 1
1 625 . 12 1 1 A 51 51 ARG CA C 51 58.224 57.522 0.702 1
1 626 . 12 1 1 A 51 51 ARG CB C 51 30.032 29.440 0.592 1
1 629 . 12 1 1 A 51 51 ARG N N 51 119.136 118.453 0.683 1
1 631 . 12 1 1 A 52 52 GLY H H 52 10.264 8.022 2.242 1
1 632 . 12 1 1 A 52 52 GLY HA2 H 52 4.180 4.153 0.027 1
1 633 . 12 1 1 A 52 52 GLY HA3 H 52 3.745 4.156 -0.411 1
1 634 . 12 1 1 A 52 52 GLY C C 52 173.980 173.434 0.546 1
1 635 . 12 1 1 A 52 52 GLY CA C 52 45.517 45.685 -0.168 1
1 636 . 12 1 1 A 52 52 GLY N N 52 114.192 112.370 1.822 1
1 637 . 12 1 1 A 53 53 GLN H H 53 7.597 7.654 -0.057 1
1 638 . 12 1 1 A 53 53 GLN HA H 53 4.437 4.633 -0.196 1
1 645 . 12 1 1 A 53 53 GLN C C 53 172.934 174.523 -1.589 1
1 646 . 12 1 1 A 53 53 GLN CA C 53 56.280 54.543 1.737 1
1 647 . 12 1 1 A 53 53 GLN CB C 53 29.123 30.524 -1.401 1
1 650 . 12 1 1 A 53 53 GLN N N 53 120.438 115.828 4.610 1
1 652 . 12 1 1 A 54 54 ALA H H 54 8.190 8.604 -0.414 1
1 653 . 12 1 1 A 54 54 ALA HA H 54 4.344 4.574 -0.230 1
1 657 . 12 1 1 A 54 54 ALA C C 54 177.278 177.506 -0.228 1
1 658 . 12 1 1 A 54 54 ALA CA C 54 51.377 51.684 -0.307 1
1 659 . 12 1 1 A 54 54 ALA CB C 54 20.525 20.271 0.254 1
1 660 . 12 1 1 A 54 54 ALA N N 54 124.528 123.613 0.915 1
1 661 . 12 1 1 A 55 55 ASN H H 55 8.903 8.931 -0.028 1
1 662 . 12 1 1 A 55 55 ASN HA H 55 4.598 4.344 0.254 1
1 667 . 12 1 1 A 55 55 ASN C C 55 174.075 174.616 -0.541 1
1 668 . 12 1 1 A 55 55 ASN CA C 55 53.986 54.550 -0.564 1
1 669 . 12 1 1 A 55 55 ASN CB C 55 37.654 37.022 0.632 1
1 671 . 12 1 1 A 55 55 ASN N N 55 113.776 113.966 -0.190 1
1 673 . 12 1 1 A 56 56 LEU H H 56 8.543 7.985 0.558 1
1 674 . 12 1 1 A 56 56 LEU HA H 56 4.677 4.529 0.148 1
1 684 . 12 1 1 A 56 56 LEU C C 56 176.806 175.529 1.277 1
1 685 . 12 1 1 A 56 56 LEU CA C 56 54.383 54.189 0.194 1
1 686 . 12 1 1 A 56 56 LEU CB C 56 45.328 40.805 4.523 1
1 690 . 12 1 1 A 56 56 LEU N N 56 117.411 119.982 -2.571 1
1 691 . 12 1 1 A 57 57 VAL H H 57 9.207 8.569 0.638 1
1 692 . 12 1 1 A 57 57 VAL HA H 57 4.633 3.912 0.721 1
1 700 . 12 1 1 A 57 57 VAL C C 57 172.465 174.906 -2.441 1
1 701 . 12 1 1 A 57 57 VAL CA C 57 59.970 62.719 -2.749 1
1 702 . 12 1 1 A 57 57 VAL CB C 57 35.376 32.040 3.336 1
1 705 . 12 1 1 A 57 57 VAL N N 57 121.448 125.108 -3.660 1
1 706 . 12 1 1 A 58 58 LEU H H 58 8.855 9.066 -0.211 1
1 707 . 12 1 1 A 58 58 LEU HA H 58 4.763 4.861 -0.098 1
1 717 . 12 1 1 A 58 58 LEU C C 58 175.349 174.791 0.558 1
1 718 . 12 1 1 A 58 58 LEU CA C 58 52.286 53.477 -1.191 1
1 719 . 12 1 1 A 58 58 LEU CB C 58 46.390 44.026 2.364 1
1 723 . 12 1 1 A 58 58 LEU N N 58 124.476 129.740 -5.264 1
1 724 . 12 1 1 A 59 59 LEU H H 59 9.265 8.860 0.405 1
1 725 . 12 1 1 A 59 59 LEU HA H 59 4.714 4.350 0.364 1
1 735 . 12 1 1 A 59 59 LEU C C 59 175.262 175.496 -0.234 1
1 736 . 12 1 1 A 59 59 LEU CA C 59 52.753 54.419 -1.666 1
1 737 . 12 1 1 A 59 59 LEU CB C 59 42.431 40.768 1.663 1
1 741 . 12 1 1 A 59 59 LEU N N 59 125.973 127.981 -2.008 1
1 742 . 12 1 1 A 60 60 ALA H H 60 8.331 8.891 -0.560 1
1 743 . 12 1 1 A 60 60 ALA HA H 60 4.739 4.585 0.154 1
1 747 . 12 1 1 A 60 60 ALA C C 60 175.631 175.942 -0.311 1
1 748 . 12 1 1 A 60 60 ALA CA C 60 50.320 50.429 -0.109 1
1 749 . 12 1 1 A 60 60 ALA CB C 60 21.744 19.959 1.785 1
1 750 . 12 1 1 A 60 60 ALA N N 60 124.617 128.384 -3.767 1
1 751 . 12 1 1 A 61 61 VAL H H 61 8.944 8.570 0.374 1
1 752 . 12 1 1 A 61 61 VAL HA H 61 4.244 4.395 -0.151 1
1 760 . 12 1 1 A 61 61 VAL C C 61 174.674 175.389 -0.715 1
1 761 . 12 1 1 A 61 61 VAL CA C 61 60.770 60.998 -0.228 1
1 762 . 12 1 1 A 61 61 VAL CB C 61 36.636 33.981 2.655 1
1 765 . 12 1 1 A 61 61 VAL N N 61 124.079 123.758 0.321 1
1 766 . 12 1 1 A 62 62 GLU H H 62 8.490 8.496 -0.006 1
1 767 . 12 1 1 A 62 62 GLU HA H 62 4.551 4.348 0.203 1
1 772 . 12 1 1 A 62 62 GLU C C 62 177.700 177.013 0.687 1
1 773 . 12 1 1 A 62 62 GLU CA C 62 56.879 56.711 0.168 1
1 774 . 12 1 1 A 62 62 GLU CB C 62 29.372 29.899 -0.527 1
1 776 . 12 1 1 A 62 62 GLU N N 62 127.752 127.075 0.677 1
1 777 . 12 1 1 A 63 63 ALA H H 63 9.173 9.059 0.114 1
1 778 . 12 1 1 A 63 63 ALA HA H 63 3.991 4.444 -0.453 1
1 782 . 12 1 1 A 63 63 ALA C C 63 180.311 177.835 2.476 1
1 783 . 12 1 1 A 63 63 ALA CA C 63 54.850 52.494 2.356 1
1 784 . 12 1 1 A 63 63 ALA CB C 63 19.495 18.799 0.696 1
1 785 . 12 1 1 A 63 63 ALA N N 63 127.466 128.821 -1.355 1
1 786 . 12 1 1 A 64 64 GLU H H 64 9.571 7.981 1.590 1
1 787 . 12 1 1 A 64 64 GLU HA H 64 4.146 4.167 -0.021 1
1 792 . 12 1 1 A 64 64 GLU C C 64 177.102 176.018 1.084 1
1 793 . 12 1 1 A 64 64 GLU CA C 64 63.532 61.153 2.379 1
1 794 . 12 1 1 A 64 64 GLU CB C 64 25.742 27.860 -2.118 1
1 796 . 12 1 1 A 64 64 GLU N N 64 120.368 119.829 0.539 1
1 797 . 12 1 1 A 65 65 PRO HA H 65 4.440 4.262 0.178 1
1 804 . 12 1 1 A 65 65 PRO C C 65 177.332 177.441 -0.109 1
1 805 . 12 1 1 A 65 65 PRO CA C 65 64.973 66.395 -1.422 1
1 806 . 12 1 1 A 65 65 PRO CB C 65 31.341 30.980 0.361 1
1 809 . 12 1 1 A 66 66 LEU H H 66 7.412 7.966 -0.554 1
1 810 . 12 1 1 A 66 66 LEU HA H 66 4.023 4.057 -0.034 1
1 820 . 12 1 1 A 66 66 LEU C C 66 178.533 176.735 1.798 1
1 821 . 12 1 1 A 66 66 LEU CA C 66 55.861 55.770 0.091 1
1 822 . 12 1 1 A 66 66 LEU CB C 66 41.349 40.800 0.549 1
1 826 . 12 1 1 A 66 66 LEU N N 66 114.991 118.061 -3.070 1
1 827 . 12 1 1 A 67 67 GLY H H 67 7.733 8.269 -0.536 1
1 828 . 12 1 1 A 67 67 GLY HA2 H 67 4.018 4.069 -0.051 1
1 829 . 12 1 1 A 67 67 GLY HA3 H 67 3.909 4.074 -0.165 1
1 830 . 12 1 1 A 67 67 GLY C C 67 175.925 174.728 1.197 1
1 831 . 12 1 1 A 67 67 GLY CA C 67 46.054 44.828 1.226 1
1 832 . 12 1 1 A 67 67 GLY N N 67 104.242 109.422 -5.180 1
1 833 . 12 1 1 A 68 68 GLU H H 68 8.887 8.441 0.446 1
1 834 . 12 1 1 A 68 68 GLU HA H 68 4.219 4.327 -0.108 1
1 839 . 12 1 1 A 68 68 GLU C C 68 176.314 177.518 -1.204 1
1 840 . 12 1 1 A 68 68 GLU CA C 68 57.652 55.899 1.753 1
1 841 . 12 1 1 A 68 68 GLU CB C 68 29.306 29.107 0.199 1
1 843 . 12 1 1 A 68 68 GLU N N 68 121.253 121.807 -0.554 1
1 844 . 12 1 1 A 69 69 ASP H H 69 7.630 7.959 -0.329 1
1 845 . 12 1 1 A 69 69 ASP HA H 69 4.587 4.763 -0.176 1
1 848 . 12 1 1 A 69 69 ASP C C 69 174.665 175.549 -0.884 1
1 849 . 12 1 1 A 69 69 ASP CA C 69 56.078 56.451 -0.373 1
1 850 . 12 1 1 A 69 69 ASP CB C 69 41.572 41.136 0.436 1
1 851 . 12 1 1 A 69 69 ASP N N 69 116.486 120.041 -3.555 1
1 852 . 12 1 1 A 70 70 LEU H H 70 7.433 7.882 -0.449 1
1 853 . 12 1 1 A 70 70 LEU HA H 70 4.854 4.902 -0.048 1
1 863 . 12 1 1 A 70 70 LEU C C 70 174.259 175.374 -1.115 1
1 864 . 12 1 1 A 70 70 LEU CA C 70 53.281 54.052 -0.771 1
1 865 . 12 1 1 A 70 70 LEU CB C 70 43.024 44.811 -1.787 1
1 869 . 12 1 1 A 70 70 LEU N N 70 121.585 120.486 1.099 1
1 870 . 12 1 1 A 71 71 LYS H H 71 9.114 8.796 0.318 1
1 871 . 12 1 1 A 71 71 LYS HA H 71 4.724 5.145 -0.421 1
1 880 . 12 1 1 A 71 71 LYS C C 71 175.146 175.341 -0.195 1
1 881 . 12 1 1 A 71 71 LYS CA C 71 54.024 54.711 -0.687 1
1 882 . 12 1 1 A 71 71 LYS CB C 71 35.469 35.860 -0.391 1
1 886 . 12 1 1 A 71 71 LYS N N 71 126.179 127.137 -0.958 1
1 887 . 12 1 1 A 72 72 TRP H H 72 8.981 8.991 -0.010 1
1 888 . 12 1 1 A 72 72 TRP HA H 72 4.720 4.837 -0.117 1
1 897 . 12 1 1 A 72 72 TRP C C 72 176.394 175.666 0.728 1
1 898 . 12 1 1 A 72 72 TRP CA C 72 55.876 57.632 -1.756 1
1 899 . 12 1 1 A 72 72 TRP CB C 72 27.789 29.361 -1.572 1
1 905 . 12 1 1 A 72 72 TRP N N 72 125.904 128.198 -2.294 1
1 907 . 12 1 1 A 73 73 GLU H H 73 8.558 9.009 -0.451 1
1 908 . 12 1 1 A 73 73 GLU HA H 73 4.762 5.336 -0.574 1
1 913 . 12 1 1 A 73 73 GLU C C 73 175.459 174.567 0.892 1
1 914 . 12 1 1 A 73 73 GLU CA C 73 55.208 54.793 0.415 1
1 915 . 12 1 1 A 73 73 GLU CB C 73 32.615 33.912 -1.297 1
1 917 . 12 1 1 A 73 73 GLU N N 73 123.290 126.192 -2.902 1
1 918 . 12 1 1 A 74 74 ALA H H 74 8.962 8.611 0.351 1
1 919 . 12 1 1 A 74 74 ALA HA H 74 4.738 4.995 -0.257 1
1 923 . 12 1 1 A 74 74 ALA C C 74 177.803 177.992 -0.189 1
1 924 . 12 1 1 A 74 74 ALA CA C 74 52.246 50.909 1.337 1
1 925 . 12 1 1 A 74 74 ALA CB C 74 20.070 20.578 -0.508 1
1 926 . 12 1 1 A 74 74 ALA N N 74 127.315 129.717 -2.402 1
1 927 . 12 1 1 A 75 75 SER H H 75 8.762 9.082 -0.320 1
1 928 . 12 1 1 A 75 75 SER HA H 75 4.850 4.188 0.662 1
1 931 . 12 1 1 A 75 75 SER C C 75 176.080 175.542 0.538 1
1 932 . 12 1 1 A 75 75 SER CA C 75 56.954 62.065 -5.111 1
1 933 . 12 1 1 A 75 75 SER CB C 75 65.244 63.144 2.100 1
1 934 . 12 1 1 A 75 75 SER N N 75 117.745 119.124 -1.379 1
1 935 . 12 1 1 A 76 76 ARG HA H 76 4.193 4.292 -0.099 1
1 943 . 12 1 1 A 76 76 ARG CA C 76 58.895 55.463 3.432 1
1 944 . 12 1 1 A 76 76 ARG CB C 76 29.877 29.552 0.325 1
1 947 . 12 1 1 A 77 77 GLY C C 77 175.277 174.802 0.475 1
1 948 . 12 1 1 A 78 78 GLY H H 78 8.045 8.044 0.001 1
1 949 . 12 1 1 A 78 78 GLY HA2 H 78 4.390 3.971 0.419 1
1 950 . 12 1 1 A 78 78 GLY HA3 H 78 3.786 3.979 -0.193 1
1 951 . 12 1 1 A 78 78 GLY C C 78 173.503 175.180 -1.677 1
1 952 . 12 1 1 A 78 78 GLY CA C 78 45.296 45.286 0.010 1
1 953 . 12 1 1 A 78 78 GLY N N 78 110.323 108.220 2.103 1
1 954 . 12 1 1 A 79 79 ALA H H 79 7.879 8.650 -0.771 1
1 955 . 12 1 1 A 79 79 ALA HA H 79 4.357 3.915 0.442 1
1 959 . 12 1 1 A 79 79 ALA C C 79 176.674 176.606 0.068 1
1 960 . 12 1 1 A 79 79 ALA CA C 79 52.151 52.681 -0.530 1
1 961 . 12 1 1 A 79 79 ALA CB C 79 20.171 17.706 2.465 1
1 962 . 12 1 1 A 79 79 ALA N N 79 123.865 122.063 1.802 1
1 963 . 12 1 1 A 80 80 ARG H H 80 8.375 8.581 -0.206 1
1 964 . 12 1 1 A 80 80 ARG HA H 80 4.629 4.675 -0.046 1
1 972 . 12 1 1 A 80 80 ARG C C 80 175.713 175.507 0.206 1
1 973 . 12 1 1 A 80 80 ARG CA C 80 55.622 55.501 0.121 1
1 974 . 12 1 1 A 80 80 ARG CB C 80 32.074 30.966 1.108 1
1 977 . 12 1 1 A 80 80 ARG N N 80 119.145 121.013 -1.868 1
1 979 . 12 1 1 A 81 81 PHE H H 81 8.722 8.988 -0.266 1
1 980 . 12 1 1 A 81 81 PHE HA H 81 5.156 4.765 0.391 1
1 988 . 12 1 1 A 81 81 PHE C C 81 172.806 173.825 -1.019 1
1 989 . 12 1 1 A 81 81 PHE CA C 81 54.950 55.971 -1.021 1
1 990 . 12 1 1 A 81 81 PHE CB C 81 42.240 39.346 2.894 1
1 996 . 12 1 1 A 81 81 PHE N N 81 123.774 123.525 0.249 1
1 997 . 12 1 1 A 82 82 PRO HA H 82 3.635 4.277 -0.642 1
1 1004 . 12 1 1 A 82 82 PRO C C 82 174.511 175.585 -1.074 1
1 1005 . 12 1 1 A 82 82 PRO CA C 82 61.347 62.814 -1.467 1
1 1006 . 12 1 1 A 82 82 PRO CB C 82 29.495 31.219 -1.724 1
1 1009 . 12 1 1 A 83 83 HIS H H 83 8.831 9.006 -0.175 1
1 1010 . 12 1 1 A 83 83 HIS HA H 83 5.330 4.959 0.371 1
1 1014 . 12 1 1 A 83 83 HIS C C 83 172.952 173.918 -0.966 1
1 1015 . 12 1 1 A 83 83 HIS CA C 83 50.700 54.541 -3.841 1
1 1016 . 12 1 1 A 83 83 HIS CB C 83 33.238 32.624 0.614 1
1 1018 . 12 1 1 A 83 83 HIS N N 83 124.483 123.625 0.858 1
1 1019 . 12 1 1 A 84 84 LEU H H 84 9.063 8.838 0.225 1
1 1020 . 12 1 1 A 84 84 LEU HA H 84 5.163 4.778 0.385 1
1 1030 . 12 1 1 A 84 84 LEU C C 84 176.699 176.786 -0.087 1
1 1031 . 12 1 1 A 84 84 LEU CA C 84 53.829 53.500 0.329 1
1 1032 . 12 1 1 A 84 84 LEU CB C 84 45.366 43.310 2.056 1
1 1036 . 12 1 1 A 84 84 LEU N N 84 125.218 125.495 -0.277 1
1 1037 . 12 1 1 A 85 85 TYR H H 85 9.058 9.167 -0.109 1
1 1038 . 12 1 1 A 85 85 TYR HA H 85 4.508 4.992 -0.484 1
1 1045 . 12 1 1 A 85 85 TYR C C 85 173.624 175.088 -1.464 1
1 1046 . 12 1 1 A 85 85 TYR CA C 85 60.034 58.038 1.996 1
1 1047 . 12 1 1 A 85 85 TYR CB C 85 36.073 37.853 -1.780 1
1 1052 . 12 1 1 A 85 85 TYR N N 85 131.339 127.181 4.158 1
1 1053 . 12 1 1 A 86 86 ARG H H 86 7.432 7.718 -0.286 1
1 1054 . 12 1 1 A 86 86 ARG HA H 86 4.682 4.799 -0.117 1
1 1062 . 12 1 1 A 86 86 ARG C C 86 171.917 173.266 -1.349 1
1 1063 . 12 1 1 A 86 86 ARG CA C 86 54.953 54.399 0.554 1
1 1064 . 12 1 1 A 86 86 ARG CB C 86 28.209 33.420 -5.211 1
1 1067 . 12 1 1 A 86 86 ARG N N 86 114.399 117.362 -2.963 1
1 1069 . 12 1 1 A 87 87 PRO HA H 87 4.303 4.366 -0.063 1
1 1076 . 12 1 1 A 87 87 PRO C C 87 175.771 176.463 -0.692 1
1 1077 . 12 1 1 A 87 87 PRO CA C 87 63.497 63.167 0.330 1
1 1078 . 12 1 1 A 87 87 PRO CB C 87 32.253 31.657 0.596 1
1 1081 . 12 1 1 A 88 88 LEU H H 88 8.095 8.057 0.038 1
1 1082 . 12 1 1 A 88 88 LEU HA H 88 4.286 4.477 -0.191 1
1 1092 . 12 1 1 A 88 88 LEU C C 88 175.946 176.814 -0.868 1
1 1093 . 12 1 1 A 88 88 LEU CA C 88 53.675 55.399 -1.724 1
1 1094 . 12 1 1 A 88 88 LEU CB C 88 45.548 43.201 2.347 1
1 1098 . 12 1 1 A 88 88 LEU N N 88 125.942 123.528 2.414 1
1 1099 . 12 1 1 A 89 89 LEU H H 89 9.224 8.896 0.328 1
1 1100 . 12 1 1 A 89 89 LEU HA H 89 4.561 4.753 -0.192 1
1 1110 . 12 1 1 A 89 89 LEU C C 89 179.295 178.056 1.239 1
1 1111 . 12 1 1 A 89 89 LEU CA C 89 55.212 53.931 1.281 1
1 1112 . 12 1 1 A 89 89 LEU CB C 89 41.460 43.157 -1.697 1
1 1116 . 12 1 1 A 89 89 LEU N N 89 128.295 126.029 2.266 1
1 1117 . 12 1 1 A 90 90 VAL H H 90 7.665 8.494 -0.829 1
1 1118 . 12 1 1 A 90 90 VAL HA H 90 3.785 3.767 0.018 1
1 1126 . 12 1 1 A 90 90 VAL C C 90 178.510 177.917 0.593 1
1 1127 . 12 1 1 A 90 90 VAL CA C 90 66.833 66.355 0.478 1
1 1128 . 12 1 1 A 90 90 VAL CB C 90 31.330 31.731 -0.401 1
1 1131 . 12 1 1 A 90 90 VAL N N 90 122.696 122.597 0.099 1
1 1132 . 12 1 1 A 91 91 SER H H 91 8.134 8.170 -0.036 1
1 1133 . 12 1 1 A 91 91 SER HA H 91 4.280 4.365 -0.085 1
1 1136 . 12 1 1 A 91 91 SER C C 91 175.328 175.721 -0.393 1
1 1137 . 12 1 1 A 91 91 SER CA C 91 59.822 60.448 -0.626 1
1 1138 . 12 1 1 A 91 91 SER CB C 91 62.512 62.719 -0.207 1
1 1139 . 12 1 1 A 91 91 SER N N 91 112.443 115.586 -3.143 1
1 1140 . 12 1 1 A 92 92 GLU H H 92 7.598 7.985 -0.387 1
1 1141 . 12 1 1 A 92 92 GLU HA H 92 4.221 4.411 -0.190 1
1 1146 . 12 1 1 A 92 92 GLU C C 92 175.722 176.875 -1.153 1
1 1147 . 12 1 1 A 92 92 GLU CA C 92 56.594 57.187 -0.593 1
1 1148 . 12 1 1 A 92 92 GLU CB C 92 29.511 30.012 -0.501 1
1 1150 . 12 1 1 A 92 92 GLU N N 92 120.359 120.930 -0.571 1
1 1151 . 12 1 1 A 93 93 VAL H H 93 7.486 7.534 -0.048 1
1 1152 . 12 1 1 A 93 93 VAL HA H 93 4.046 4.215 -0.169 1
1 1160 . 12 1 1 A 93 93 VAL C C 93 176.093 175.380 0.713 1
1 1161 . 12 1 1 A 93 93 VAL CA C 93 63.242 62.979 0.263 1
1 1162 . 12 1 1 A 93 93 VAL CB C 93 32.306 31.235 1.071 1
1 1165 . 12 1 1 A 93 93 VAL N N 93 121.222 121.438 -0.216 1
1 1166 . 12 1 1 A 94 94 THR H H 94 9.003 8.773 0.230 1
1 1167 . 12 1 1 A 94 94 THR HA H 94 4.264 4.046 0.218 1
1 1172 . 12 1 1 A 94 94 THR C C 94 174.664 175.032 -0.368 1
1 1173 . 12 1 1 A 94 94 THR CA C 94 64.438 65.194 -0.756 1
1 1174 . 12 1 1 A 94 94 THR CB C 94 69.317 69.381 -0.064 1
1 1176 . 12 1 1 A 94 94 THR N N 94 124.794 123.339 1.455 1
1 1177 . 12 1 1 A 95 95 ARG H H 95 7.514 8.063 -0.549 1
1 1178 . 12 1 1 A 95 95 ARG HA H 95 4.646 4.788 -0.142 1
1 1186 . 12 1 1 A 95 95 ARG C C 95 172.989 174.503 -1.514 1
1 1187 . 12 1 1 A 95 95 ARG CA C 95 55.872 54.343 1.529 1
1 1188 . 12 1 1 A 95 95 ARG CB C 95 33.789 33.044 0.745 1
1 1191 . 12 1 1 A 95 95 ARG N N 95 118.660 118.910 -0.250 1
1 1193 . 12 1 1 A 96 96 GLU H H 96 8.545 8.890 -0.345 1
1 1194 . 12 1 1 A 96 96 GLU HA H 96 5.329 4.613 0.716 1
1 1199 . 12 1 1 A 96 96 GLU C C 96 174.480 175.263 -0.783 1
1 1200 . 12 1 1 A 96 96 GLU CA C 96 53.415 55.684 -2.269 1
1 1201 . 12 1 1 A 96 96 GLU CB C 96 33.592 29.833 3.759 1
1 1203 . 12 1 1 A 96 96 GLU N N 96 121.828 122.640 -0.812 1
1 1204 . 12 1 1 A 97 97 ALA H H 97 8.276 8.359 -0.083 1
1 1205 . 12 1 1 A 97 97 ALA HA H 97 4.537 4.713 -0.176 1
1 1209 . 12 1 1 A 97 97 ALA C C 97 175.233 177.188 -1.955 1
1 1210 . 12 1 1 A 97 97 ALA CA C 97 51.368 51.233 0.135 1
1 1211 . 12 1 1 A 97 97 ALA CB C 97 22.101 19.709 2.392 1
1 1212 . 12 1 1 A 97 97 ALA N N 97 123.211 127.848 -4.637 1
1 1213 . 12 1 1 A 98 98 ASP H H 98 8.399 8.676 -0.277 1
1 1214 . 12 1 1 A 98 98 ASP HA H 98 4.850 4.833 0.017 1
1 1217 . 12 1 1 A 98 98 ASP C C 98 176.085 176.222 -0.137 1
1 1218 . 12 1 1 A 98 98 ASP CA C 98 54.824 54.142 0.682 1
1 1219 . 12 1 1 A 98 98 ASP CB C 98 41.694 42.068 -0.374 1
1 1220 . 12 1 1 A 98 98 ASP N N 98 122.093 120.981 1.112 1
1 1221 . 12 1 1 A 99 99 LEU H H 99 7.854 8.368 -0.514 1
1 1222 . 12 1 1 A 99 99 LEU HA H 99 4.766 4.691 0.075 1
1 1232 . 12 1 1 A 99 99 LEU C C 99 176.250 175.217 1.033 1
1 1233 . 12 1 1 A 99 99 LEU CA C 99 53.544 53.997 -0.453 1
1 1234 . 12 1 1 A 99 99 LEU CB C 99 44.229 42.519 1.710 1
1 1238 . 12 1 1 A 99 99 LEU N N 99 120.272 120.288 -0.016 1
1 1239 . 12 1 1 A 100 100 ASP H H 100 9.215 8.971 0.244 1
1 1240 . 12 1 1 A 100 100 ASP HA H 100 4.935 5.198 -0.263 1
1 1243 . 12 1 1 A 100 100 ASP C C 100 174.956 174.547 0.409 1
1 1244 . 12 1 1 A 100 100 ASP CA C 100 52.684 52.924 -0.240 1
1 1245 . 12 1 1 A 100 100 ASP CB C 100 43.362 41.875 1.487 1
1 1246 . 12 1 1 A 100 100 ASP N N 100 123.325 125.188 -1.863 1
1 1247 . 12 1 1 A 101 101 LEU H H 101 8.526 8.887 -0.361 1
1 1248 . 12 1 1 A 101 101 LEU HA H 101 4.639 5.168 -0.529 1
1 1258 . 12 1 1 A 101 101 LEU C C 101 178.204 175.593 2.611 1
1 1259 . 12 1 1 A 101 101 LEU CA C 101 53.490 53.057 0.433 1
1 1260 . 12 1 1 A 101 101 LEU CB C 101 44.374 45.162 -0.788 1
1 1264 . 12 1 1 A 101 101 LEU N N 101 118.539 127.105 -8.566 1
1 1265 . 12 1 1 A 102 102 ASP H H 102 8.029 8.773 -0.744 1
1 1266 . 12 1 1 A 102 102 ASP HA H 102 4.615 4.861 -0.246 1
1 1269 . 12 1 1 A 102 102 ASP C C 102 178.176 175.172 3.004 1
1 1270 . 12 1 1 A 102 102 ASP CA C 102 52.297 53.266 -0.969 1
1 1271 . 12 1 1 A 102 102 ASP CB C 102 41.108 44.234 -3.126 1
1 1272 . 12 1 1 A 102 102 ASP N N 102 121.008 121.295 -0.287 1
1 1273 . 12 1 1 A 103 103 ALA H H 103 8.384 8.677 -0.293 1
1 1274 . 12 1 1 A 103 103 ALA HA H 103 4.099 3.861 0.238 1
1 1278 . 12 1 1 A 103 103 ALA C C 103 178.527 177.067 1.460 1
1 1279 . 12 1 1 A 103 103 ALA CA C 103 54.648 54.819 -0.171 1
1 1280 . 12 1 1 A 103 103 ALA CB C 103 18.604 17.959 0.645 1
1 1281 . 12 1 1 A 103 103 ALA N N 103 120.139 123.348 -3.209 1
1 1282 . 12 1 1 A 104 104 ASP H H 104 8.033 8.188 -0.155 1
1 1283 . 12 1 1 A 104 104 ASP HA H 104 4.811 4.784 0.027 1
1 1286 . 12 1 1 A 104 104 ASP C C 104 176.113 176.481 -0.368 1
1 1287 . 12 1 1 A 104 104 ASP CA C 104 54.077 53.524 0.553 1
1 1288 . 12 1 1 A 104 104 ASP CB C 104 41.899 41.660 0.239 1
1 1289 . 12 1 1 A 104 104 ASP N N 104 116.590 117.456 -0.866 1
1 1290 . 12 1 1 A 105 105 GLY H H 105 8.196 8.183 0.013 1
1 1291 . 12 1 1 A 105 105 GLY HA2 H 105 4.293 3.957 0.336 1
1 1292 . 12 1 1 A 105 105 GLY HA3 H 105 3.657 3.958 -0.301 1
1 1293 . 12 1 1 A 105 105 GLY C C 105 173.635 174.297 -0.662 1
1 1294 . 12 1 1 A 105 105 GLY CA C 105 45.741 46.258 -0.517 1
1 1295 . 12 1 1 A 105 105 GLY N N 105 107.882 107.635 0.247 1
1 1296 . 12 1 1 A 106 106 VAL H H 106 8.886 8.188 0.698 1
1 1297 . 12 1 1 A 106 106 VAL HA H 106 4.082 4.283 -0.201 1
1 1305 . 12 1 1 A 106 106 VAL C C 106 175.529 176.541 -1.012 1
1 1306 . 12 1 1 A 106 106 VAL CA C 106 61.360 63.093 -1.733 1
1 1307 . 12 1 1 A 106 106 VAL CB C 106 32.373 34.445 -2.072 1
1 1310 . 12 1 1 A 106 106 VAL N N 106 125.585 117.292 8.293 1
1 1311 . 12 1 1 A 107 107 PRO HA H 107 4.737 4.579 0.158 1
1 1318 . 12 1 1 A 107 107 PRO C C 107 176.029 176.584 -0.555 1
1 1319 . 12 1 1 A 107 107 PRO CA C 107 62.674 62.910 -0.236 1
1 1320 . 12 1 1 A 107 107 PRO CB C 107 31.789 30.058 1.731 1
1 1323 . 12 1 1 A 108 108 GLN H H 108 8.563 8.019 0.544 1
1 1324 . 12 1 1 A 108 108 GLN HA H 108 4.498 4.504 -0.006 1
1 1331 . 12 1 1 A 108 108 GLN C C 108 176.218 176.223 -0.005 1
1 1332 . 12 1 1 A 108 108 GLN CA C 108 54.901 54.649 0.252 1
1 1333 . 12 1 1 A 108 108 GLN CB C 108 29.514 29.041 0.473 1
1 1336 . 12 1 1 A 108 108 GLN N N 108 122.641 118.203 4.438 1
1 1338 . 12 1 1 A 109 109 LEU H H 109 8.853 7.657 1.196 1
1 1339 . 12 1 1 A 109 109 LEU HA H 109 4.330 4.479 -0.149 1
1 1349 . 12 1 1 A 109 109 LEU C C 109 178.151 178.773 -0.622 1
1 1350 . 12 1 1 A 109 109 LEU CA C 109 56.522 54.952 1.570 1
1 1351 . 12 1 1 A 109 109 LEU CB C 109 41.883 42.577 -0.694 1
1 1355 . 12 1 1 A 109 109 LEU N N 109 125.974 121.058 4.916 1
1 1356 . 12 1 1 A 110 110 GLY H H 110 8.809 8.397 0.412 1
1 1357 . 12 1 1 A 110 110 GLY HA2 H 110 3.952 3.905 0.047 1
1 1358 . 12 1 1 A 110 110 GLY HA3 H 110 3.551 3.911 -0.360 1
1 1359 . 12 1 1 A 110 110 GLY C C 110 176.002 174.657 1.345 1
1 1360 . 12 1 1 A 110 110 GLY CA C 110 48.748 46.482 2.266 1
1 1361 . 12 1 1 A 110 110 GLY N N 110 109.442 107.391 2.051 1
1 1362 . 12 1 1 A 111 111 ASP H H 111 8.674 7.834 0.840 1
1 1363 . 12 1 1 A 111 111 ASP HA H 111 4.317 4.343 -0.026 1
1 1366 . 12 1 1 A 111 111 ASP C C 111 177.159 177.111 0.048 1
1 1367 . 12 1 1 A 111 111 ASP CA C 111 56.239 55.963 0.276 1
1 1368 . 12 1 1 A 111 111 ASP CB C 111 39.791 40.679 -0.888 1
1 1369 . 12 1 1 A 111 111 ASP N N 111 119.503 120.056 -0.553 1
1 1370 . 12 1 1 A 112 112 HIS H H 112 7.471 7.458 0.013 1
1 1371 . 12 1 1 A 112 112 HIS HA H 112 4.481 4.567 -0.086 1
1 1376 . 12 1 1 A 112 112 HIS C C 112 177.121 177.260 -0.139 1
1 1377 . 12 1 1 A 112 112 HIS CA C 112 56.692 57.651 -0.959 1
1 1378 . 12 1 1 A 112 112 HIS CB C 112 31.648 30.955 0.693 1
1 1381 . 12 1 1 A 112 112 HIS N N 112 116.681 116.233 0.448 1
1 1382 . 12 1 1 A 113 113 LEU H H 113 7.526 8.126 -0.600 1
1 1383 . 12 1 1 A 113 113 LEU HA H 113 4.148 4.017 0.131 1
1 1393 . 12 1 1 A 113 113 LEU C C 113 177.363 177.363 0.000 1
1 1394 . 12 1 1 A 113 113 LEU CA C 113 55.509 58.131 -2.622 1
1 1395 . 12 1 1 A 113 113 LEU CB C 113 42.009 42.081 -0.072 1
1 1399 . 12 1 1 A 113 113 LEU N N 113 118.976 116.753 2.223 1
1 1400 . 12 1 1 A 114 114 ALA H H 114 7.648 7.981 -0.333 1
1 1401 . 12 1 1 A 114 114 ALA HA H 114 4.227 4.404 -0.177 1
1 1405 . 12 1 1 A 114 114 ALA C C 114 177.692 177.436 0.256 1
1 1406 . 12 1 1 A 114 114 ALA CA C 114 52.828 51.623 1.205 1
1 1407 . 12 1 1 A 114 114 ALA CB C 114 18.497 19.590 -1.093 1
1 1408 . 12 1 1 A 114 114 ALA N N 114 121.893 120.186 1.707 1
1 1409 . 12 1 1 A 115 115 LEU H H 115 7.764 8.598 -0.834 1
1 1410 . 12 1 1 A 115 115 LEU HA H 115 4.146 4.471 -0.325 1
1 1420 . 12 1 1 A 115 115 LEU C C 115 177.819 175.001 2.818 1
1 1421 . 12 1 1 A 115 115 LEU CA C 115 55.771 54.450 1.321 1
1 1422 . 12 1 1 A 115 115 LEU CB C 115 42.000 39.813 2.187 1
1 1426 . 12 1 1 A 115 115 LEU N N 115 119.576 122.966 -3.390 1
1 12 . 13 1 1 A 2 2 THR HA H 2 3.833 4.377 -0.544 1
1 17 . 13 1 1 A 2 2 THR C C 2 170.665 174.006 -3.341 1
1 18 . 13 1 1 A 2 2 THR CA C 2 62.154 61.977 0.177 1
1 19 . 13 1 1 A 2 2 THR CB C 2 69.580 70.239 -0.659 1
1 21 . 13 1 1 A 3 3 LEU H H 3 9.068 8.446 0.622 1
1 22 . 13 1 1 A 3 3 LEU HA H 3 4.887 4.993 -0.106 1
1 32 . 13 1 1 A 3 3 LEU C C 3 175.859 176.116 -0.257 1
1 33 . 13 1 1 A 3 3 LEU CA C 3 54.426 53.593 0.833 1
1 34 . 13 1 1 A 3 3 LEU CB C 3 43.222 43.909 -0.687 1
1 38 . 13 1 1 A 3 3 LEU N N 3 129.030 122.897 6.133 1
1 39 . 13 1 1 A 4 4 ILE H H 4 8.897 9.003 -0.106 1
1 40 . 13 1 1 A 4 4 ILE HA H 4 4.753 5.183 -0.430 1
1 50 . 13 1 1 A 4 4 ILE C C 4 174.211 174.734 -0.523 1
1 51 . 13 1 1 A 4 4 ILE CA C 4 59.998 60.376 -0.378 1
1 52 . 13 1 1 A 4 4 ILE CB C 4 41.129 40.073 1.056 1
1 56 . 13 1 1 A 4 4 ILE N N 4 115.702 121.926 -6.224 1
1 57 . 13 1 1 A 5 5 TYR H H 5 9.050 8.883 0.167 1
1 58 . 13 1 1 A 5 5 TYR HA H 5 5.770 5.641 0.129 1
1 65 . 13 1 1 A 5 5 TYR C C 5 175.987 174.411 1.576 1
1 66 . 13 1 1 A 5 5 TYR CA C 5 57.923 56.018 1.905 1
1 67 . 13 1 1 A 5 5 TYR CB C 5 42.963 42.638 0.325 1
1 72 . 13 1 1 A 5 5 TYR N N 5 114.414 125.628 -11.214 1
1 73 . 13 1 1 A 6 6 LYS H H 6 8.858 8.370 0.488 1
1 74 . 13 1 1 A 6 6 LYS HA H 6 4.813 4.746 0.067 1
1 83 . 13 1 1 A 6 6 LYS C C 6 172.801 174.293 -1.492 1
1 84 . 13 1 1 A 6 6 LYS CA C 6 52.969 55.201 -2.232 1
1 85 . 13 1 1 A 6 6 LYS CB C 6 37.109 36.155 0.954 1
1 89 . 13 1 1 A 6 6 LYS N N 6 121.597 123.087 -1.490 1
1 90 . 13 1 1 A 7 7 ILE H H 7 8.277 8.677 -0.400 1
1 91 . 13 1 1 A 7 7 ILE HA H 7 4.702 4.918 -0.216 1
1 101 . 13 1 1 A 7 7 ILE C C 7 173.742 174.428 -0.686 1
1 102 . 13 1 1 A 7 7 ILE CA C 7 60.340 59.808 0.532 1
1 103 . 13 1 1 A 7 7 ILE CB C 7 38.941 39.025 -0.084 1
1 107 . 13 1 1 A 7 7 ILE N N 7 128.212 128.110 0.102 1
1 108 . 13 1 1 A 8 8 LEU H H 8 8.627 8.436 0.191 1
1 109 . 13 1 1 A 8 8 LEU HA H 8 4.757 4.816 -0.059 1
1 119 . 13 1 1 A 8 8 LEU C C 8 173.661 174.869 -1.208 1
1 120 . 13 1 1 A 8 8 LEU CA C 8 54.530 53.598 0.932 1
1 121 . 13 1 1 A 8 8 LEU CB C 8 43.617 44.870 -1.253 1
1 125 . 13 1 1 A 8 8 LEU N N 8 126.590 124.301 2.289 1
1 126 . 13 1 1 A 9 9 SER H H 9 8.546 8.676 -0.130 1
1 127 . 13 1 1 A 9 9 SER HA H 9 4.765 4.631 0.134 1
1 130 . 13 1 1 A 9 9 SER C C 9 175.160 175.566 -0.406 1
1 131 . 13 1 1 A 9 9 SER CA C 9 58.520 58.601 -0.081 1
1 132 . 13 1 1 A 9 9 SER CB C 9 65.227 63.730 1.497 1
1 133 . 13 1 1 A 9 9 SER N N 9 115.543 116.020 -0.477 1
1 134 . 13 1 1 A 10 10 ARG H H 10 9.080 8.544 0.536 1
1 135 . 13 1 1 A 10 10 ARG HA H 10 4.037 4.015 0.022 1
1 143 . 13 1 1 A 10 10 ARG C C 10 177.847 178.158 -0.311 1
1 144 . 13 1 1 A 10 10 ARG CA C 10 59.210 60.017 -0.807 1
1 145 . 13 1 1 A 10 10 ARG CB C 10 28.776 29.753 -0.977 1
1 148 . 13 1 1 A 10 10 ARG N N 10 123.688 124.502 -0.814 1
1 150 . 13 1 1 A 11 11 ALA H H 11 8.753 7.942 0.811 1
1 151 . 13 1 1 A 11 11 ALA HA H 11 4.248 4.073 0.175 1
1 155 . 13 1 1 A 11 11 ALA C C 11 181.848 180.184 1.664 1
1 156 . 13 1 1 A 11 11 ALA CA C 11 55.483 55.017 0.466 1
1 157 . 13 1 1 A 11 11 ALA CB C 11 18.209 18.261 -0.052 1
1 158 . 13 1 1 A 11 11 ALA N N 11 119.698 121.339 -1.641 1
1 159 . 13 1 1 A 12 12 GLU H H 12 7.957 7.969 -0.012 1
1 160 . 13 1 1 A 12 12 GLU HA H 12 4.183 4.203 -0.020 1
1 165 . 13 1 1 A 12 12 GLU C C 12 179.576 178.923 0.653 1
1 166 . 13 1 1 A 12 12 GLU CA C 12 59.103 59.011 0.092 1
1 167 . 13 1 1 A 12 12 GLU CB C 12 31.077 29.542 1.535 1
1 169 . 13 1 1 A 12 12 GLU N N 12 118.210 118.863 -0.653 1
1 170 . 13 1 1 A 13 13 TRP H H 13 8.585 7.989 0.596 1
1 171 . 13 1 1 A 13 13 TRP HA H 13 4.937 4.070 0.867 1
1 180 . 13 1 1 A 13 13 TRP C C 13 176.827 178.046 -1.219 1
1 181 . 13 1 1 A 13 13 TRP CA C 13 57.845 60.758 -2.913 1
1 182 . 13 1 1 A 13 13 TRP CB C 13 31.010 29.265 1.745 1
1 188 . 13 1 1 A 13 13 TRP N N 13 123.646 122.396 1.250 1
1 190 . 13 1 1 A 14 14 ASP H H 14 9.260 8.643 0.617 1
1 191 . 13 1 1 A 14 14 ASP HA H 14 4.048 4.075 -0.027 1
1 194 . 13 1 1 A 14 14 ASP C C 14 180.120 178.335 1.785 1
1 195 . 13 1 1 A 14 14 ASP CA C 14 57.767 57.046 0.721 1
1 196 . 13 1 1 A 14 14 ASP CB C 14 39.467 40.065 -0.598 1
1 197 . 13 1 1 A 14 14 ASP N N 14 120.253 118.721 1.532 1
1 198 . 13 1 1 A 15 15 ALA H H 15 7.599 7.812 -0.213 1
1 199 . 13 1 1 A 15 15 ALA HA H 15 4.163 4.032 0.131 1
1 203 . 13 1 1 A 15 15 ALA C C 15 180.115 179.722 0.393 1
1 204 . 13 1 1 A 15 15 ALA CA C 15 55.016 54.942 0.074 1
1 205 . 13 1 1 A 15 15 ALA CB C 15 17.871 18.238 -0.367 1
1 206 . 13 1 1 A 15 15 ALA N N 15 122.164 123.020 -0.856 1
1 207 . 13 1 1 A 16 16 ALA H H 16 7.944 7.993 -0.049 1
1 208 . 13 1 1 A 16 16 ALA HA H 16 4.334 4.351 -0.017 1
1 212 . 13 1 1 A 16 16 ALA C C 16 180.101 180.018 0.083 1
1 213 . 13 1 1 A 16 16 ALA CA C 16 54.659 55.444 -0.785 1
1 214 . 13 1 1 A 16 16 ALA CB C 16 19.107 18.232 0.875 1
1 215 . 13 1 1 A 16 16 ALA N N 16 122.526 120.474 2.052 1
1 216 . 13 1 1 A 17 17 LYS H H 17 8.317 7.781 0.536 1
1 217 . 13 1 1 A 17 17 LYS HA H 17 3.462 3.806 -0.344 1
1 226 . 13 1 1 A 17 17 LYS C C 17 179.126 178.905 0.221 1
1 227 . 13 1 1 A 17 17 LYS CA C 17 60.077 59.484 0.593 1
1 228 . 13 1 1 A 17 17 LYS CB C 17 31.431 31.840 -0.409 1
1 232 . 13 1 1 A 17 17 LYS N N 17 117.572 116.348 1.224 1
1 233 . 13 1 1 A 18 18 ALA H H 18 7.296 7.982 -0.686 1
1 234 . 13 1 1 A 18 18 ALA HA H 18 4.100 4.033 0.067 1
1 238 . 13 1 1 A 18 18 ALA C C 18 178.940 179.112 -0.172 1
1 239 . 13 1 1 A 18 18 ALA CA C 18 54.513 54.768 -0.255 1
1 240 . 13 1 1 A 18 18 ALA CB C 18 18.132 18.731 -0.599 1
1 241 . 13 1 1 A 18 18 ALA N N 18 119.644 121.576 -1.932 1
1 242 . 13 1 1 A 19 19 GLN H H 19 7.443 7.661 -0.218 1
1 243 . 13 1 1 A 19 19 GLN HA H 19 4.535 4.249 0.286 1
1 250 . 13 1 1 A 19 19 GLN C C 19 176.607 177.152 -0.545 1
1 251 . 13 1 1 A 19 19 GLN CA C 19 55.755 54.989 0.766 1
1 252 . 13 1 1 A 19 19 GLN CB C 19 30.075 28.096 1.979 1
1 255 . 13 1 1 A 19 19 GLN N N 19 113.538 112.430 1.108 1
1 257 . 13 1 1 A 20 20 GLY H H 20 8.277 8.994 -0.717 1
1 258 . 13 1 1 A 20 20 GLY HA2 H 20 4.450 3.799 0.651 1
1 259 . 13 1 1 A 20 20 GLY HA3 H 20 3.627 3.828 -0.201 1
1 260 . 13 1 1 A 20 20 GLY C C 20 174.006 173.418 0.588 1
1 261 . 13 1 1 A 20 20 GLY CA C 20 45.567 45.676 -0.109 1
1 262 . 13 1 1 A 20 20 GLY N N 20 108.233 111.278 -3.045 1
1 263 . 13 1 1 A 21 21 ARG H H 21 7.786 7.639 0.147 1
1 264 . 13 1 1 A 21 21 ARG HA H 21 5.123 4.989 0.134 1
1 272 . 13 1 1 A 21 21 ARG C C 21 171.553 174.265 -2.712 1
1 273 . 13 1 1 A 21 21 ARG CA C 21 54.882 54.122 0.760 1
1 274 . 13 1 1 A 21 21 ARG CB C 21 32.114 34.280 -2.166 1
1 277 . 13 1 1 A 21 21 ARG N N 21 116.837 119.729 -2.892 1
1 279 . 13 1 1 A 22 22 PHE H H 22 9.821 9.304 0.517 1
1 280 . 13 1 1 A 22 22 PHE HA H 22 5.185 5.021 0.164 1
1 285 . 13 1 1 A 22 22 PHE C C 22 173.825 174.064 -0.239 1
1 286 . 13 1 1 A 22 22 PHE CA C 22 54.913 57.150 -2.237 1
1 287 . 13 1 1 A 22 22 PHE CB C 22 41.568 41.489 0.079 1
1 290 . 13 1 1 A 22 22 PHE N N 22 121.680 123.903 -2.223 1
1 291 . 13 1 1 A 23 23 GLU H H 23 9.053 7.835 1.218 1
1 292 . 13 1 1 A 23 23 GLU HA H 23 3.893 4.065 -0.172 1
1 297 . 13 1 1 A 23 23 GLU C C 23 174.856 175.896 -1.040 1
1 298 . 13 1 1 A 23 23 GLU CA C 23 56.781 57.393 -0.612 1
1 299 . 13 1 1 A 23 23 GLU CB C 23 29.990 28.580 1.410 1
1 301 . 13 1 1 A 23 23 GLU N N 23 125.059 122.633 2.426 1
1 302 . 13 1 1 A 24 24 GLY HA2 H 24 4.212 3.792 0.420 1
1 303 . 13 1 1 A 24 24 GLY HA3 H 24 3.112 3.795 -0.683 1
1 304 . 13 1 1 A 24 24 GLY C C 24 173.311 173.982 -0.671 1
1 305 . 13 1 1 A 24 24 GLY CA C 24 45.104 46.601 -1.497 1
1 306 . 13 1 1 A 25 25 SER H H 25 9.877 7.774 2.103 1
1 307 . 13 1 1 A 25 25 SER HA H 25 4.884 4.453 0.431 1
1 310 . 13 1 1 A 25 25 SER C C 25 173.788 174.775 -0.987 1
1 311 . 13 1 1 A 25 25 SER CA C 25 57.549 57.677 -0.128 1
1 312 . 13 1 1 A 25 25 SER CB C 25 65.383 65.206 0.177 1
1 313 . 13 1 1 A 25 25 SER N N 25 121.073 114.686 6.387 1
1 314 . 13 1 1 A 26 26 ALA H H 26 9.097 8.956 0.141 1
1 315 . 13 1 1 A 26 26 ALA HA H 26 3.964 4.010 -0.046 1
1 319 . 13 1 1 A 26 26 ALA C C 26 181.102 179.884 1.218 1
1 320 . 13 1 1 A 26 26 ALA CA C 26 56.670 55.520 1.150 1
1 321 . 13 1 1 A 26 26 ALA CB C 26 17.927 18.061 -0.134 1
1 322 . 13 1 1 A 26 26 ALA N N 26 123.398 123.518 -0.120 1
1 323 . 13 1 1 A 27 27 VAL H H 27 7.928 8.054 -0.126 1
1 324 . 13 1 1 A 27 27 VAL HA H 27 3.593 3.459 0.134 1
1 332 . 13 1 1 A 27 27 VAL C C 27 176.628 177.685 -1.057 1
1 333 . 13 1 1 A 27 27 VAL CA C 27 65.257 66.723 -1.466 1
1 334 . 13 1 1 A 27 27 VAL CB C 27 31.688 31.719 -0.031 1
1 337 . 13 1 1 A 27 27 VAL N N 27 117.697 117.991 -0.294 1
1 338 . 13 1 1 A 28 28 ASP H H 28 6.927 7.924 -0.997 1
1 339 . 13 1 1 A 28 28 ASP HA H 28 4.512 4.336 0.176 1
1 342 . 13 1 1 A 28 28 ASP C C 28 178.402 179.250 -0.848 1
1 343 . 13 1 1 A 28 28 ASP CA C 28 56.586 57.428 -0.842 1
1 344 . 13 1 1 A 28 28 ASP CB C 28 41.317 40.172 1.145 1
1 345 . 13 1 1 A 28 28 ASP N N 28 121.516 120.889 0.627 1
1 346 . 13 1 1 A 29 29 LEU H H 29 8.309 8.227 0.082 1
1 347 . 13 1 1 A 29 29 LEU HA H 29 3.764 4.129 -0.365 1
1 357 . 13 1 1 A 29 29 LEU C C 29 180.093 178.996 1.097 1
1 358 . 13 1 1 A 29 29 LEU CA C 29 57.091 57.773 -0.682 1
1 359 . 13 1 1 A 29 29 LEU CB C 29 41.418 40.757 0.661 1
1 363 . 13 1 1 A 29 29 LEU N N 29 118.648 120.639 -1.991 1
1 364 . 13 1 1 A 30 30 ALA H H 30 7.458 8.413 -0.955 1
1 365 . 13 1 1 A 30 30 ALA HA H 30 4.000 4.057 -0.057 1
1 369 . 13 1 1 A 30 30 ALA C C 30 179.371 179.563 -0.192 1
1 370 . 13 1 1 A 30 30 ALA CA C 30 54.526 55.515 -0.989 1
1 371 . 13 1 1 A 30 30 ALA CB C 30 18.102 18.430 -0.328 1
1 372 . 13 1 1 A 30 30 ALA N N 30 120.814 122.309 -1.495 1
1 373 . 13 1 1 A 31 31 ASP H H 31 7.682 8.010 -0.328 1
1 374 . 13 1 1 A 31 31 ASP HA H 31 4.410 4.465 -0.055 1
1 377 . 13 1 1 A 31 31 ASP C C 31 176.610 176.177 0.433 1
1 378 . 13 1 1 A 31 31 ASP CA C 31 55.271 55.007 0.264 1
1 379 . 13 1 1 A 31 31 ASP CB C 31 40.083 41.037 -0.954 1
1 380 . 13 1 1 A 31 31 ASP N N 31 117.191 116.456 0.735 1
1 381 . 13 1 1 A 32 32 GLY H H 32 7.909 7.907 0.002 1
1 382 . 13 1 1 A 32 32 GLY HA2 H 32 4.090 4.114 -0.024 1
1 383 . 13 1 1 A 32 32 GLY HA3 H 32 3.597 4.216 -0.619 1
1 384 . 13 1 1 A 32 32 GLY C C 32 173.168 173.582 -0.414 1
1 385 . 13 1 1 A 32 32 GLY CA C 32 45.112 45.454 -0.342 1
1 386 . 13 1 1 A 32 32 GLY N N 32 106.983 106.582 0.401 1
1 387 . 13 1 1 A 33 33 PHE H H 33 7.233 7.466 -0.233 1
1 388 . 13 1 1 A 33 33 PHE HA H 33 4.212 4.953 -0.741 1
1 396 . 13 1 1 A 33 33 PHE C C 33 171.389 173.844 -2.455 1
1 397 . 13 1 1 A 33 33 PHE CA C 33 55.383 55.880 -0.497 1
1 398 . 13 1 1 A 33 33 PHE CB C 33 37.177 40.309 -3.132 1
1 404 . 13 1 1 A 33 33 PHE N N 33 115.364 114.549 0.815 1
1 405 . 13 1 1 A 34 34 ILE H H 34 8.637 8.135 0.502 1
1 406 . 13 1 1 A 34 34 ILE HA H 34 3.817 3.938 -0.121 1
1 416 . 13 1 1 A 34 34 ILE C C 34 177.018 175.563 1.455 1
1 417 . 13 1 1 A 34 34 ILE CA C 34 60.724 62.111 -1.387 1
1 418 . 13 1 1 A 34 34 ILE CB C 34 39.266 38.126 1.140 1
1 422 . 13 1 1 A 34 34 ILE N N 34 114.086 121.410 -7.324 1
1 423 . 13 1 1 A 35 35 HIS H H 35 9.203 8.163 1.040 1
1 424 . 13 1 1 A 35 35 HIS HA H 35 4.448 5.171 -0.723 1
1 428 . 13 1 1 A 35 35 HIS C C 35 175.740 173.436 2.304 1
1 429 . 13 1 1 A 35 35 HIS CA C 35 57.757 53.630 4.127 1
1 430 . 13 1 1 A 35 35 HIS CB C 35 29.758 31.746 -1.988 1
1 432 . 13 1 1 A 35 35 HIS N N 35 127.988 122.849 5.139 1
1 433 . 13 1 1 A 36 36 LEU H H 36 8.454 9.127 -0.673 1
1 434 . 13 1 1 A 36 36 LEU HA H 36 5.190 4.776 0.414 1
1 444 . 13 1 1 A 36 36 LEU C C 36 174.813 175.481 -0.668 1
1 445 . 13 1 1 A 36 36 LEU CA C 36 56.019 53.604 2.415 1
1 446 . 13 1 1 A 36 36 LEU CB C 36 44.541 42.179 2.362 1
1 450 . 13 1 1 A 36 36 LEU N N 36 126.075 126.641 -0.566 1
1 451 . 13 1 1 A 37 37 SER H H 37 9.128 8.803 0.325 1
1 452 . 13 1 1 A 37 37 SER HA H 37 5.277 5.227 0.050 1
1 455 . 13 1 1 A 37 37 SER C C 37 174.433 173.320 1.113 1
1 456 . 13 1 1 A 37 37 SER CA C 37 57.990 57.750 0.240 1
1 457 . 13 1 1 A 37 37 SER CB C 37 66.778 66.895 -0.117 1
1 458 . 13 1 1 A 37 37 SER N N 37 112.795 115.816 -3.021 1
1 459 . 13 1 1 A 38 38 ALA H H 38 9.665 8.775 0.890 1
1 460 . 13 1 1 A 38 38 ALA HA H 38 4.973 4.826 0.147 1
1 464 . 13 1 1 A 38 38 ALA C C 38 179.640 178.495 1.145 1
1 465 . 13 1 1 A 38 38 ALA CA C 38 52.303 51.665 0.638 1
1 466 . 13 1 1 A 38 38 ALA CB C 38 19.350 20.384 -1.034 1
1 467 . 13 1 1 A 38 38 ALA N N 38 127.103 125.988 1.115 1
1 468 . 13 1 1 A 39 39 GLY H H 39 10.159 8.724 1.435 1
1 469 . 13 1 1 A 39 39 GLY HA2 H 39 4.249 2.720 1.529 1
1 470 . 13 1 1 A 39 39 GLY HA3 H 39 3.720 3.388 0.332 1
1 471 . 13 1 1 A 39 39 GLY C C 39 176.229 175.595 0.634 1
1 472 . 13 1 1 A 39 39 GLY CA C 39 49.163 46.799 2.364 1
1 473 . 13 1 1 A 39 39 GLY N N 39 112.007 106.473 5.534 1
1 474 . 13 1 1 A 40 40 GLU H H 40 9.367 8.544 0.823 1
1 475 . 13 1 1 A 40 40 GLU HA H 40 4.234 3.952 0.282 1
1 480 . 13 1 1 A 40 40 GLU C C 40 176.417 178.240 -1.823 1
1 481 . 13 1 1 A 40 40 GLU CA C 40 58.622 59.351 -0.729 1
1 482 . 13 1 1 A 40 40 GLU CB C 40 28.796 29.099 -0.303 1
1 484 . 13 1 1 A 40 40 GLU N N 40 117.243 122.012 -4.769 1
1 485 . 13 1 1 A 41 41 GLN H H 41 7.503 7.901 -0.398 1
1 486 . 13 1 1 A 41 41 GLN HA H 41 4.752 4.180 0.572 1
1 493 . 13 1 1 A 41 41 GLN C C 41 177.730 178.498 -0.768 1
1 494 . 13 1 1 A 41 41 GLN CA C 41 55.626 58.184 -2.558 1
1 495 . 13 1 1 A 41 41 GLN CB C 41 30.653 28.379 2.274 1
1 498 . 13 1 1 A 41 41 GLN N N 41 115.837 119.270 -3.433 1
1 500 . 13 1 1 A 42 42 ALA H H 42 7.519 8.251 -0.732 1
1 501 . 13 1 1 A 42 42 ALA HA H 42 3.927 4.028 -0.101 1
1 505 . 13 1 1 A 42 42 ALA C C 42 177.826 179.043 -1.217 1
1 506 . 13 1 1 A 42 42 ALA CA C 42 56.706 55.512 1.194 1
1 507 . 13 1 1 A 42 42 ALA CB C 42 18.247 18.275 -0.028 1
1 508 . 13 1 1 A 42 42 ALA N N 42 123.105 122.373 0.732 1
1 509 . 13 1 1 A 43 43 GLN H H 43 9.203 7.568 1.635 1
1 510 . 13 1 1 A 43 43 GLN HA H 43 3.942 3.963 -0.021 1
1 517 . 13 1 1 A 43 43 GLN C C 43 177.913 177.761 0.152 1
1 518 . 13 1 1 A 43 43 GLN CA C 43 58.678 59.364 -0.686 1
1 519 . 13 1 1 A 43 43 GLN CB C 43 28.815 28.239 0.576 1
1 522 . 13 1 1 A 43 43 GLN N N 43 118.650 117.864 0.786 1
1 524 . 13 1 1 A 44 44 GLU H H 44 8.611 7.940 0.671 1
1 525 . 13 1 1 A 44 44 GLU HA H 44 4.207 4.105 0.102 1
1 530 . 13 1 1 A 44 44 GLU C C 44 179.090 179.473 -0.383 1
1 531 . 13 1 1 A 44 44 GLU CA C 44 59.246 59.320 -0.074 1
1 532 . 13 1 1 A 44 44 GLU CB C 44 28.850 29.856 -1.006 1
1 534 . 13 1 1 A 44 44 GLU N N 44 122.042 119.881 2.161 1
1 535 . 13 1 1 A 45 45 THR H H 45 8.292 8.514 -0.222 1
1 536 . 13 1 1 A 45 45 THR HA H 45 4.123 4.147 -0.024 1
1 541 . 13 1 1 A 45 45 THR C C 45 176.228 176.447 -0.219 1
1 542 . 13 1 1 A 45 45 THR CA C 45 66.902 66.578 0.324 1
1 543 . 13 1 1 A 45 45 THR CB C 45 68.949 68.448 0.501 1
1 545 . 13 1 1 A 45 45 THR N N 45 117.583 116.993 0.590 1
1 546 . 13 1 1 A 46 46 ALA H H 46 8.275 8.699 -0.424 1
1 547 . 13 1 1 A 46 46 ALA HA H 46 4.255 4.289 -0.034 1
1 551 . 13 1 1 A 46 46 ALA C C 46 178.630 179.817 -1.187 1
1 552 . 13 1 1 A 46 46 ALA CA C 46 55.406 55.481 -0.075 1
1 553 . 13 1 1 A 46 46 ALA CB C 46 18.482 18.504 -0.022 1
1 554 . 13 1 1 A 46 46 ALA N N 46 123.184 123.945 -0.761 1
1 555 . 13 1 1 A 47 47 ALA H H 47 8.066 8.326 -0.260 1
1 556 . 13 1 1 A 47 47 ALA HA H 47 3.953 4.031 -0.078 1
1 560 . 13 1 1 A 47 47 ALA C C 47 178.552 179.696 -1.144 1
1 561 . 13 1 1 A 47 47 ALA CA C 47 55.030 55.055 -0.025 1
1 562 . 13 1 1 A 47 47 ALA CB C 47 18.899 18.574 0.325 1
1 563 . 13 1 1 A 47 47 ALA N N 47 117.129 120.239 -3.110 1
1 564 . 13 1 1 A 48 48 LYS H H 48 8.089 7.780 0.309 1
1 565 . 13 1 1 A 48 48 LYS HA H 48 3.936 3.936 0.000 1
1 574 . 13 1 1 A 48 48 LYS C C 48 179.130 177.739 1.391 1
1 575 . 13 1 1 A 48 48 LYS CA C 48 58.560 58.001 0.559 1
1 576 . 13 1 1 A 48 48 LYS CB C 48 33.122 33.099 0.023 1
1 580 . 13 1 1 A 48 48 LYS N N 48 115.322 116.398 -1.076 1
1 581 . 13 1 1 A 49 49 TRP H H 49 7.978 8.166 -0.188 1
1 582 . 13 1 1 A 49 49 TRP HA H 49 4.807 4.659 0.148 1
1 591 . 13 1 1 A 49 49 TRP C C 49 176.923 176.865 0.058 1
1 592 . 13 1 1 A 49 49 TRP CA C 49 57.157 58.348 -1.191 1
1 593 . 13 1 1 A 49 49 TRP CB C 49 31.461 31.247 0.214 1
1 599 . 13 1 1 A 49 49 TRP N N 49 114.492 114.796 -0.304 1
1 601 . 13 1 1 A 50 50 PHE H H 50 7.740 8.138 -0.398 1
1 602 . 13 1 1 A 50 50 PHE HA H 50 4.925 5.046 -0.121 1
1 608 . 13 1 1 A 50 50 PHE C C 50 174.160 176.006 -1.846 1
1 609 . 13 1 1 A 50 50 PHE CA C 50 57.772 56.112 1.660 1
1 610 . 13 1 1 A 50 50 PHE CB C 50 39.610 38.102 1.508 1
1 614 . 13 1 1 A 50 50 PHE N N 50 116.540 116.782 -0.242 1
1 615 . 13 1 1 A 51 51 ARG H H 51 7.389 7.958 -0.569 1
1 616 . 13 1 1 A 51 51 ARG HA H 51 4.198 4.161 0.037 1
1 624 . 13 1 1 A 51 51 ARG C C 51 179.130 175.639 3.491 1
1 625 . 13 1 1 A 51 51 ARG CA C 51 58.224 56.966 1.258 1
1 626 . 13 1 1 A 51 51 ARG CB C 51 30.032 29.786 0.246 1
1 629 . 13 1 1 A 51 51 ARG N N 51 119.136 119.009 0.127 1
1 631 . 13 1 1 A 52 52 GLY H H 52 10.264 7.655 2.609 1
1 632 . 13 1 1 A 52 52 GLY HA2 H 52 4.180 4.102 0.078 1
1 633 . 13 1 1 A 52 52 GLY HA3 H 52 3.745 4.109 -0.364 1
1 634 . 13 1 1 A 52 52 GLY C C 52 173.980 173.342 0.638 1
1 635 . 13 1 1 A 52 52 GLY CA C 52 45.517 46.150 -0.633 1
1 636 . 13 1 1 A 52 52 GLY N N 52 114.192 108.030 6.162 1
1 637 . 13 1 1 A 53 53 GLN H H 53 7.597 8.385 -0.788 1
1 638 . 13 1 1 A 53 53 GLN HA H 53 4.437 4.116 0.321 1
1 645 . 13 1 1 A 53 53 GLN C C 53 172.934 174.719 -1.785 1
1 646 . 13 1 1 A 53 53 GLN CA C 53 56.280 58.076 -1.796 1
1 647 . 13 1 1 A 53 53 GLN CB C 53 29.123 27.378 1.745 1
1 650 . 13 1 1 A 53 53 GLN N N 53 120.438 120.489 -0.051 1
1 652 . 13 1 1 A 54 54 ALA H H 54 8.190 8.247 -0.057 1
1 653 . 13 1 1 A 54 54 ALA HA H 54 4.344 4.895 -0.551 1
1 657 . 13 1 1 A 54 54 ALA C C 54 177.278 176.914 0.364 1
1 658 . 13 1 1 A 54 54 ALA CA C 54 51.377 50.441 0.936 1
1 659 . 13 1 1 A 54 54 ALA CB C 54 20.525 21.282 -0.757 1
1 660 . 13 1 1 A 54 54 ALA N N 54 124.528 123.479 1.049 1
1 661 . 13 1 1 A 55 55 ASN H H 55 8.903 8.631 0.272 1
1 662 . 13 1 1 A 55 55 ASN HA H 55 4.598 4.286 0.312 1
1 667 . 13 1 1 A 55 55 ASN C C 55 174.075 174.423 -0.348 1
1 668 . 13 1 1 A 55 55 ASN CA C 55 53.986 53.944 0.042 1
1 669 . 13 1 1 A 55 55 ASN CB C 55 37.654 37.205 0.449 1
1 671 . 13 1 1 A 55 55 ASN N N 55 113.776 118.479 -4.703 1
1 673 . 13 1 1 A 56 56 LEU H H 56 8.543 7.641 0.902 1
1 674 . 13 1 1 A 56 56 LEU HA H 56 4.677 4.671 0.006 1
1 684 . 13 1 1 A 56 56 LEU C C 56 176.806 175.646 1.160 1
1 685 . 13 1 1 A 56 56 LEU CA C 56 54.383 53.168 1.215 1
1 686 . 13 1 1 A 56 56 LEU CB C 56 45.328 42.610 2.718 1
1 690 . 13 1 1 A 56 56 LEU N N 56 117.411 121.018 -3.607 1
1 691 . 13 1 1 A 57 57 VAL H H 57 9.207 9.142 0.065 1
1 692 . 13 1 1 A 57 57 VAL HA H 57 4.633 4.193 0.440 1
1 700 . 13 1 1 A 57 57 VAL C C 57 172.465 174.100 -1.635 1
1 701 . 13 1 1 A 57 57 VAL CA C 57 59.970 62.218 -2.248 1
1 702 . 13 1 1 A 57 57 VAL CB C 57 35.376 32.235 3.141 1
1 705 . 13 1 1 A 57 57 VAL N N 57 121.448 125.064 -3.616 1
1 706 . 13 1 1 A 58 58 LEU H H 58 8.855 9.179 -0.324 1
1 707 . 13 1 1 A 58 58 LEU HA H 58 4.763 4.722 0.041 1
1 717 . 13 1 1 A 58 58 LEU C C 58 175.349 174.729 0.620 1
1 718 . 13 1 1 A 58 58 LEU CA C 58 52.286 53.629 -1.343 1
1 719 . 13 1 1 A 58 58 LEU CB C 58 46.390 43.854 2.536 1
1 723 . 13 1 1 A 58 58 LEU N N 58 124.476 129.596 -5.120 1
1 724 . 13 1 1 A 59 59 LEU H H 59 9.265 8.782 0.483 1
1 725 . 13 1 1 A 59 59 LEU HA H 59 4.714 4.343 0.371 1
1 735 . 13 1 1 A 59 59 LEU C C 59 175.262 175.446 -0.184 1
1 736 . 13 1 1 A 59 59 LEU CA C 59 52.753 54.452 -1.699 1
1 737 . 13 1 1 A 59 59 LEU CB C 59 42.431 40.565 1.866 1
1 741 . 13 1 1 A 59 59 LEU N N 59 125.973 127.973 -2.000 1
1 742 . 13 1 1 A 60 60 ALA H H 60 8.331 8.414 -0.083 1
1 743 . 13 1 1 A 60 60 ALA HA H 60 4.739 5.405 -0.666 1
1 747 . 13 1 1 A 60 60 ALA C C 60 175.631 175.791 -0.160 1
1 748 . 13 1 1 A 60 60 ALA CA C 60 50.320 50.130 0.190 1
1 749 . 13 1 1 A 60 60 ALA CB C 60 21.744 20.305 1.439 1
1 750 . 13 1 1 A 60 60 ALA N N 60 124.617 128.128 -3.511 1
1 751 . 13 1 1 A 61 61 VAL H H 61 8.944 8.643 0.301 1
1 752 . 13 1 1 A 61 61 VAL HA H 61 4.244 5.074 -0.830 1
1 760 . 13 1 1 A 61 61 VAL C C 61 174.674 174.832 -0.158 1
1 761 . 13 1 1 A 61 61 VAL CA C 61 60.770 60.166 0.604 1
1 762 . 13 1 1 A 61 61 VAL CB C 61 36.636 35.550 1.086 1
1 765 . 13 1 1 A 61 61 VAL N N 61 124.079 122.560 1.519 1
1 766 . 13 1 1 A 62 62 GLU H H 62 8.490 8.733 -0.243 1
1 767 . 13 1 1 A 62 62 GLU HA H 62 4.551 4.258 0.293 1
1 772 . 13 1 1 A 62 62 GLU C C 62 177.700 177.410 0.290 1
1 773 . 13 1 1 A 62 62 GLU CA C 62 56.879 57.011 -0.132 1
1 774 . 13 1 1 A 62 62 GLU CB C 62 29.372 30.056 -0.684 1
1 776 . 13 1 1 A 62 62 GLU N N 62 127.752 125.985 1.767 1
1 777 . 13 1 1 A 63 63 ALA H H 63 9.173 9.227 -0.054 1
1 778 . 13 1 1 A 63 63 ALA HA H 63 3.991 4.491 -0.500 1
1 782 . 13 1 1 A 63 63 ALA C C 63 180.311 178.007 2.304 1
1 783 . 13 1 1 A 63 63 ALA CA C 63 54.850 52.678 2.172 1
1 784 . 13 1 1 A 63 63 ALA CB C 63 19.495 18.974 0.521 1
1 785 . 13 1 1 A 63 63 ALA N N 63 127.466 126.853 0.613 1
1 786 . 13 1 1 A 64 64 GLU H H 64 9.571 7.991 1.580 1
1 787 . 13 1 1 A 64 64 GLU HA H 64 4.146 4.268 -0.122 1
1 792 . 13 1 1 A 64 64 GLU C C 64 177.102 178.154 -1.052 1
1 793 . 13 1 1 A 64 64 GLU CA C 64 63.532 61.084 2.448 1
1 794 . 13 1 1 A 64 64 GLU CB C 64 25.742 29.257 -3.515 1
1 796 . 13 1 1 A 64 64 GLU N N 64 120.368 119.114 1.254 1
1 797 . 13 1 1 A 65 65 PRO HA H 65 4.440 4.483 -0.043 1
1 804 . 13 1 1 A 65 65 PRO C C 65 177.332 177.742 -0.410 1
1 805 . 13 1 1 A 65 65 PRO CA C 65 64.973 63.252 1.721 1
1 806 . 13 1 1 A 65 65 PRO CB C 65 31.341 30.580 0.761 1
1 809 . 13 1 1 A 66 66 LEU H H 66 7.412 7.992 -0.580 1
1 810 . 13 1 1 A 66 66 LEU HA H 66 4.023 4.094 -0.071 1
1 820 . 13 1 1 A 66 66 LEU C C 66 178.533 176.829 1.704 1
1 821 . 13 1 1 A 66 66 LEU CA C 66 55.861 57.699 -1.838 1
1 822 . 13 1 1 A 66 66 LEU CB C 66 41.349 42.658 -1.309 1
1 826 . 13 1 1 A 66 66 LEU N N 66 114.991 121.596 -6.605 1
1 827 . 13 1 1 A 67 67 GLY H H 67 7.733 7.999 -0.266 1
1 828 . 13 1 1 A 67 67 GLY HA2 H 67 4.018 3.898 0.120 1
1 829 . 13 1 1 A 67 67 GLY HA3 H 67 3.909 3.907 0.002 1
1 830 . 13 1 1 A 67 67 GLY C C 67 175.925 174.376 1.549 1
1 831 . 13 1 1 A 67 67 GLY CA C 67 46.054 47.477 -1.423 1
1 832 . 13 1 1 A 67 67 GLY N N 67 104.242 107.131 -2.889 1
1 833 . 13 1 1 A 68 68 GLU H H 68 8.887 8.767 0.120 1
1 834 . 13 1 1 A 68 68 GLU HA H 68 4.219 4.674 -0.455 1
1 839 . 13 1 1 A 68 68 GLU C C 68 176.314 177.212 -0.898 1
1 840 . 13 1 1 A 68 68 GLU CA C 68 57.652 55.705 1.947 1
1 841 . 13 1 1 A 68 68 GLU CB C 68 29.306 31.539 -2.233 1
1 843 . 13 1 1 A 68 68 GLU N N 68 121.253 125.466 -4.213 1
1 844 . 13 1 1 A 69 69 ASP H H 69 7.630 8.445 -0.815 1
1 845 . 13 1 1 A 69 69 ASP HA H 69 4.587 4.922 -0.335 1
1 848 . 13 1 1 A 69 69 ASP C C 69 174.665 176.551 -1.886 1
1 849 . 13 1 1 A 69 69 ASP CA C 69 56.078 55.048 1.030 1
1 850 . 13 1 1 A 69 69 ASP CB C 69 41.572 42.352 -0.780 1
1 851 . 13 1 1 A 69 69 ASP N N 69 116.486 120.669 -4.183 1
1 852 . 13 1 1 A 70 70 LEU H H 70 7.433 7.462 -0.029 1
1 853 . 13 1 1 A 70 70 LEU HA H 70 4.854 4.887 -0.033 1
1 863 . 13 1 1 A 70 70 LEU C C 70 174.259 176.048 -1.789 1
1 864 . 13 1 1 A 70 70 LEU CA C 70 53.281 55.006 -1.725 1
1 865 . 13 1 1 A 70 70 LEU CB C 70 43.024 42.320 0.704 1
1 869 . 13 1 1 A 70 70 LEU N N 70 121.585 122.013 -0.428 1
1 870 . 13 1 1 A 71 71 LYS H H 71 9.114 9.143 -0.029 1
1 871 . 13 1 1 A 71 71 LYS HA H 71 4.724 4.994 -0.270 1
1 880 . 13 1 1 A 71 71 LYS C C 71 175.146 175.134 0.012 1
1 881 . 13 1 1 A 71 71 LYS CA C 71 54.024 55.011 -0.987 1
1 882 . 13 1 1 A 71 71 LYS CB C 71 35.469 33.884 1.585 1
1 886 . 13 1 1 A 71 71 LYS N N 71 126.179 127.523 -1.344 1
1 887 . 13 1 1 A 72 72 TRP H H 72 8.981 9.177 -0.196 1
1 888 . 13 1 1 A 72 72 TRP HA H 72 4.720 5.192 -0.472 1
1 897 . 13 1 1 A 72 72 TRP C C 72 176.394 176.057 0.337 1
1 898 . 13 1 1 A 72 72 TRP CA C 72 55.876 57.600 -1.724 1
1 899 . 13 1 1 A 72 72 TRP CB C 72 27.789 29.053 -1.264 1
1 905 . 13 1 1 A 72 72 TRP N N 72 125.904 128.409 -2.505 1
1 907 . 13 1 1 A 73 73 GLU H H 73 8.558 9.116 -0.558 1
1 908 . 13 1 1 A 73 73 GLU HA H 73 4.762 5.141 -0.379 1
1 913 . 13 1 1 A 73 73 GLU C C 73 175.459 175.157 0.302 1
1 914 . 13 1 1 A 73 73 GLU CA C 73 55.208 55.175 0.033 1
1 915 . 13 1 1 A 73 73 GLU CB C 73 32.615 33.853 -1.238 1
1 917 . 13 1 1 A 73 73 GLU N N 73 123.290 125.930 -2.640 1
1 918 . 13 1 1 A 74 74 ALA H H 74 8.962 8.510 0.452 1
1 919 . 13 1 1 A 74 74 ALA HA H 74 4.738 5.100 -0.362 1
1 923 . 13 1 1 A 74 74 ALA C C 74 177.803 177.136 0.667 1
1 924 . 13 1 1 A 74 74 ALA CA C 74 52.246 50.812 1.434 1
1 925 . 13 1 1 A 74 74 ALA CB C 74 20.070 21.794 -1.724 1
1 926 . 13 1 1 A 74 74 ALA N N 74 127.315 126.137 1.178 1
1 927 . 13 1 1 A 75 75 SER H H 75 8.762 8.561 0.201 1
1 928 . 13 1 1 A 75 75 SER HA H 75 4.850 4.647 0.203 1
1 931 . 13 1 1 A 75 75 SER C C 75 176.080 175.534 0.546 1
1 932 . 13 1 1 A 75 75 SER CA C 75 56.954 58.666 -1.712 1
1 933 . 13 1 1 A 75 75 SER CB C 75 65.244 64.077 1.167 1
1 934 . 13 1 1 A 75 75 SER N N 75 117.745 112.544 5.201 1
1 935 . 13 1 1 A 76 76 ARG HA H 76 4.193 4.444 -0.251 1
1 943 . 13 1 1 A 76 76 ARG CA C 76 58.895 57.460 1.435 1
1 944 . 13 1 1 A 76 76 ARG CB C 76 29.877 31.280 -1.403 1
1 947 . 13 1 1 A 77 77 GLY C C 77 175.277 174.030 1.247 1
1 948 . 13 1 1 A 78 78 GLY H H 78 8.045 8.045 0.000 1
1 949 . 13 1 1 A 78 78 GLY HA2 H 78 4.390 4.263 0.127 1
1 950 . 13 1 1 A 78 78 GLY HA3 H 78 3.786 4.283 -0.497 1
1 951 . 13 1 1 A 78 78 GLY C C 78 173.503 173.311 0.192 1
1 952 . 13 1 1 A 78 78 GLY CA C 78 45.296 44.758 0.538 1
1 953 . 13 1 1 A 78 78 GLY N N 78 110.323 110.101 0.222 1
1 954 . 13 1 1 A 79 79 ALA H H 79 7.879 8.512 -0.633 1
1 955 . 13 1 1 A 79 79 ALA HA H 79 4.357 4.243 0.114 1
1 959 . 13 1 1 A 79 79 ALA C C 79 176.674 176.299 0.375 1
1 960 . 13 1 1 A 79 79 ALA CA C 79 52.151 53.819 -1.668 1
1 961 . 13 1 1 A 79 79 ALA CB C 79 20.171 18.185 1.986 1
1 962 . 13 1 1 A 79 79 ALA N N 79 123.865 122.140 1.725 1
1 963 . 13 1 1 A 80 80 ARG H H 80 8.375 8.871 -0.496 1
1 964 . 13 1 1 A 80 80 ARG HA H 80 4.629 4.970 -0.341 1
1 972 . 13 1 1 A 80 80 ARG C C 80 175.713 175.054 0.659 1
1 973 . 13 1 1 A 80 80 ARG CA C 80 55.622 55.153 0.469 1
1 974 . 13 1 1 A 80 80 ARG CB C 80 32.074 31.728 0.346 1
1 977 . 13 1 1 A 80 80 ARG N N 80 119.145 123.064 -3.919 1
1 979 . 13 1 1 A 81 81 PHE H H 81 8.722 9.273 -0.551 1
1 980 . 13 1 1 A 81 81 PHE HA H 81 5.156 4.825 0.331 1
1 988 . 13 1 1 A 81 81 PHE C C 81 172.806 173.875 -1.069 1
1 989 . 13 1 1 A 81 81 PHE CA C 81 54.950 55.807 -0.857 1
1 990 . 13 1 1 A 81 81 PHE CB C 81 42.240 40.064 2.176 1
1 996 . 13 1 1 A 81 81 PHE N N 81 123.774 123.062 0.712 1
1 997 . 13 1 1 A 82 82 PRO HA H 82 3.635 3.981 -0.346 1
1 1004 . 13 1 1 A 82 82 PRO C C 82 174.511 175.940 -1.429 1
1 1005 . 13 1 1 A 82 82 PRO CA C 82 61.347 62.229 -0.882 1
1 1006 . 13 1 1 A 82 82 PRO CB C 82 29.495 30.775 -1.280 1
1 1009 . 13 1 1 A 83 83 HIS H H 83 8.831 8.811 0.020 1
1 1010 . 13 1 1 A 83 83 HIS HA H 83 5.330 4.991 0.339 1
1 1014 . 13 1 1 A 83 83 HIS C C 83 172.952 175.389 -2.437 1
1 1015 . 13 1 1 A 83 83 HIS CA C 83 50.700 55.653 -4.953 1
1 1016 . 13 1 1 A 83 83 HIS CB C 83 33.238 31.971 1.267 1
1 1018 . 13 1 1 A 83 83 HIS N N 83 124.483 123.108 1.375 1
1 1019 . 13 1 1 A 84 84 LEU H H 84 9.063 8.566 0.497 1
1 1020 . 13 1 1 A 84 84 LEU HA H 84 5.163 4.817 0.346 1
1 1030 . 13 1 1 A 84 84 LEU C C 84 176.699 175.571 1.128 1
1 1031 . 13 1 1 A 84 84 LEU CA C 84 53.829 53.784 0.045 1
1 1032 . 13 1 1 A 84 84 LEU CB C 84 45.366 45.689 -0.323 1
1 1036 . 13 1 1 A 84 84 LEU N N 84 125.218 121.164 4.054 1
1 1037 . 13 1 1 A 85 85 TYR H H 85 9.058 8.888 0.170 1
1 1038 . 13 1 1 A 85 85 TYR HA H 85 4.508 4.791 -0.283 1
1 1045 . 13 1 1 A 85 85 TYR C C 85 173.624 174.887 -1.263 1
1 1046 . 13 1 1 A 85 85 TYR CA C 85 60.034 57.337 2.697 1
1 1047 . 13 1 1 A 85 85 TYR CB C 85 36.073 39.082 -3.009 1
1 1052 . 13 1 1 A 85 85 TYR N N 85 131.339 122.648 8.691 1
1 1053 . 13 1 1 A 86 86 ARG H H 86 7.432 7.641 -0.209 1
1 1054 . 13 1 1 A 86 86 ARG HA H 86 4.682 4.817 -0.135 1
1 1062 . 13 1 1 A 86 86 ARG C C 86 171.917 173.594 -1.677 1
1 1063 . 13 1 1 A 86 86 ARG CA C 86 54.953 52.581 2.372 1
1 1064 . 13 1 1 A 86 86 ARG CB C 86 28.209 31.667 -3.458 1
1 1067 . 13 1 1 A 86 86 ARG N N 86 114.399 120.112 -5.713 1
1 1069 . 13 1 1 A 87 87 PRO HA H 87 4.303 4.558 -0.255 1
1 1076 . 13 1 1 A 87 87 PRO C C 87 175.771 176.294 -0.523 1
1 1077 . 13 1 1 A 87 87 PRO CA C 87 63.497 62.673 0.824 1
1 1078 . 13 1 1 A 87 87 PRO CB C 87 32.253 32.287 -0.034 1
1 1081 . 13 1 1 A 88 88 LEU H H 88 8.095 8.202 -0.107 1
1 1082 . 13 1 1 A 88 88 LEU HA H 88 4.286 4.639 -0.353 1
1 1092 . 13 1 1 A 88 88 LEU C C 88 175.946 175.801 0.145 1
1 1093 . 13 1 1 A 88 88 LEU CA C 88 53.675 54.743 -1.068 1
1 1094 . 13 1 1 A 88 88 LEU CB C 88 45.548 42.884 2.664 1
1 1098 . 13 1 1 A 88 88 LEU N N 88 125.942 123.098 2.844 1
1 1099 . 13 1 1 A 89 89 LEU H H 89 9.224 8.644 0.580 1
1 1100 . 13 1 1 A 89 89 LEU HA H 89 4.561 4.305 0.256 1
1 1110 . 13 1 1 A 89 89 LEU C C 89 179.295 177.217 2.078 1
1 1111 . 13 1 1 A 89 89 LEU CA C 89 55.212 55.803 -0.591 1
1 1112 . 13 1 1 A 89 89 LEU CB C 89 41.460 41.591 -0.131 1
1 1116 . 13 1 1 A 89 89 LEU N N 89 128.295 127.991 0.304 1
1 1117 . 13 1 1 A 90 90 VAL H H 90 7.665 8.514 -0.849 1
1 1118 . 13 1 1 A 90 90 VAL HA H 90 3.785 3.798 -0.013 1
1 1126 . 13 1 1 A 90 90 VAL C C 90 178.510 177.693 0.817 1
1 1127 . 13 1 1 A 90 90 VAL CA C 90 66.833 66.445 0.388 1
1 1128 . 13 1 1 A 90 90 VAL CB C 90 31.330 31.618 -0.288 1
1 1131 . 13 1 1 A 90 90 VAL N N 90 122.696 124.001 -1.305 1
1 1132 . 13 1 1 A 91 91 SER H H 91 8.134 8.171 -0.037 1
1 1133 . 13 1 1 A 91 91 SER HA H 91 4.280 4.118 0.162 1
1 1136 . 13 1 1 A 91 91 SER C C 91 175.328 177.149 -1.821 1
1 1137 . 13 1 1 A 91 91 SER CA C 91 59.822 61.150 -1.328 1
1 1138 . 13 1 1 A 91 91 SER CB C 91 62.512 63.206 -0.694 1
1 1139 . 13 1 1 A 91 91 SER N N 91 112.443 115.801 -3.358 1
1 1140 . 13 1 1 A 92 92 GLU H H 92 7.598 8.149 -0.551 1
1 1141 . 13 1 1 A 92 92 GLU HA H 92 4.221 4.108 0.113 1
1 1146 . 13 1 1 A 92 92 GLU C C 92 175.722 177.117 -1.395 1
1 1147 . 13 1 1 A 92 92 GLU CA C 92 56.594 58.372 -1.778 1
1 1148 . 13 1 1 A 92 92 GLU CB C 92 29.511 29.367 0.144 1
1 1150 . 13 1 1 A 92 92 GLU N N 92 120.359 121.102 -0.743 1
1 1151 . 13 1 1 A 93 93 VAL H H 93 7.486 7.343 0.143 1
1 1152 . 13 1 1 A 93 93 VAL HA H 93 4.046 3.989 0.057 1
1 1160 . 13 1 1 A 93 93 VAL C C 93 176.093 177.317 -1.224 1
1 1161 . 13 1 1 A 93 93 VAL CA C 93 63.242 63.595 -0.353 1
1 1162 . 13 1 1 A 93 93 VAL CB C 93 32.306 31.956 0.350 1
1 1165 . 13 1 1 A 93 93 VAL N N 93 121.222 120.283 0.939 1
1 1166 . 13 1 1 A 94 94 THR H H 94 9.003 8.734 0.269 1
1 1167 . 13 1 1 A 94 94 THR HA H 94 4.264 4.294 -0.030 1
1 1172 . 13 1 1 A 94 94 THR C C 94 174.664 175.019 -0.355 1
1 1173 . 13 1 1 A 94 94 THR CA C 94 64.438 64.439 -0.001 1
1 1174 . 13 1 1 A 94 94 THR CB C 94 69.317 68.871 0.446 1
1 1176 . 13 1 1 A 94 94 THR N N 94 124.794 119.720 5.074 1
1 1177 . 13 1 1 A 95 95 ARG H H 95 7.514 7.542 -0.028 1
1 1178 . 13 1 1 A 95 95 ARG HA H 95 4.646 4.957 -0.311 1
1 1186 . 13 1 1 A 95 95 ARG C C 95 172.989 174.620 -1.631 1
1 1187 . 13 1 1 A 95 95 ARG CA C 95 55.872 54.363 1.509 1
1 1188 . 13 1 1 A 95 95 ARG CB C 95 33.789 33.122 0.667 1
1 1191 . 13 1 1 A 95 95 ARG N N 95 118.660 118.658 0.002 1
1 1193 . 13 1 1 A 96 96 GLU H H 96 8.545 8.954 -0.409 1
1 1194 . 13 1 1 A 96 96 GLU HA H 96 5.329 4.889 0.440 1
1 1199 . 13 1 1 A 96 96 GLU C C 96 174.480 174.701 -0.221 1
1 1200 . 13 1 1 A 96 96 GLU CA C 96 53.415 54.871 -1.456 1
1 1201 . 13 1 1 A 96 96 GLU CB C 96 33.592 30.899 2.693 1
1 1203 . 13 1 1 A 96 96 GLU N N 96 121.828 119.910 1.918 1
1 1204 . 13 1 1 A 97 97 ALA H H 97 8.276 8.461 -0.185 1
1 1205 . 13 1 1 A 97 97 ALA HA H 97 4.537 4.683 -0.146 1
1 1209 . 13 1 1 A 97 97 ALA C C 97 175.233 176.023 -0.790 1
1 1210 . 13 1 1 A 97 97 ALA CA C 97 51.368 51.720 -0.352 1
1 1211 . 13 1 1 A 97 97 ALA CB C 97 22.101 19.623 2.478 1
1 1212 . 13 1 1 A 97 97 ALA N N 97 123.211 129.172 -5.961 1
1 1213 . 13 1 1 A 98 98 ASP H H 98 8.399 8.834 -0.435 1
1 1214 . 13 1 1 A 98 98 ASP HA H 98 4.850 4.704 0.146 1
1 1217 . 13 1 1 A 98 98 ASP C C 98 176.085 174.450 1.635 1
1 1218 . 13 1 1 A 98 98 ASP CA C 98 54.824 53.396 1.428 1
1 1219 . 13 1 1 A 98 98 ASP CB C 98 41.694 40.780 0.914 1
1 1220 . 13 1 1 A 98 98 ASP N N 98 122.093 124.410 -2.317 1
1 1221 . 13 1 1 A 99 99 LEU H H 99 7.854 9.026 -1.172 1
1 1222 . 13 1 1 A 99 99 LEU HA H 99 4.766 4.610 0.156 1
1 1232 . 13 1 1 A 99 99 LEU C C 99 176.250 175.299 0.951 1
1 1233 . 13 1 1 A 99 99 LEU CA C 99 53.544 54.291 -0.747 1
1 1234 . 13 1 1 A 99 99 LEU CB C 99 44.229 40.797 3.432 1
1 1238 . 13 1 1 A 99 99 LEU N N 99 120.272 127.652 -7.380 1
1 1239 . 13 1 1 A 100 100 ASP H H 100 9.215 8.860 0.355 1
1 1240 . 13 1 1 A 100 100 ASP HA H 100 4.935 5.152 -0.217 1
1 1243 . 13 1 1 A 100 100 ASP C C 100 174.956 175.932 -0.976 1
1 1244 . 13 1 1 A 100 100 ASP CA C 100 52.684 53.725 -1.041 1
1 1245 . 13 1 1 A 100 100 ASP CB C 100 43.362 42.366 0.996 1
1 1246 . 13 1 1 A 100 100 ASP N N 100 123.325 125.881 -2.556 1
1 1247 . 13 1 1 A 101 101 LEU H H 101 8.526 8.512 0.014 1
1 1248 . 13 1 1 A 101 101 LEU HA H 101 4.639 4.464 0.175 1
1 1258 . 13 1 1 A 101 101 LEU C C 101 178.204 176.222 1.982 1
1 1259 . 13 1 1 A 101 101 LEU CA C 101 53.490 54.770 -1.280 1
1 1260 . 13 1 1 A 101 101 LEU CB C 101 44.374 42.196 2.178 1
1 1264 . 13 1 1 A 101 101 LEU N N 101 118.539 124.726 -6.187 1
1 1265 . 13 1 1 A 102 102 ASP H H 102 8.029 8.618 -0.589 1
1 1266 . 13 1 1 A 102 102 ASP HA H 102 4.615 5.096 -0.481 1
1 1269 . 13 1 1 A 102 102 ASP C C 102 178.176 176.072 2.104 1
1 1270 . 13 1 1 A 102 102 ASP CA C 102 52.297 52.204 0.093 1
1 1271 . 13 1 1 A 102 102 ASP CB C 102 41.108 44.158 -3.050 1
1 1272 . 13 1 1 A 102 102 ASP N N 102 121.008 124.009 -3.001 1
1 1273 . 13 1 1 A 103 103 ALA H H 103 8.384 8.707 -0.323 1
1 1274 . 13 1 1 A 103 103 ALA HA H 103 4.099 3.865 0.234 1
1 1278 . 13 1 1 A 103 103 ALA C C 103 178.527 177.369 1.158 1
1 1279 . 13 1 1 A 103 103 ALA CA C 103 54.648 54.833 -0.185 1
1 1280 . 13 1 1 A 103 103 ALA CB C 103 18.604 17.989 0.615 1
1 1281 . 13 1 1 A 103 103 ALA N N 103 120.139 120.326 -0.187 1
1 1282 . 13 1 1 A 104 104 ASP H H 104 8.033 8.070 -0.037 1
1 1283 . 13 1 1 A 104 104 ASP HA H 104 4.811 4.731 0.080 1
1 1286 . 13 1 1 A 104 104 ASP C C 104 176.113 176.636 -0.523 1
1 1287 . 13 1 1 A 104 104 ASP CA C 104 54.077 53.810 0.267 1
1 1288 . 13 1 1 A 104 104 ASP CB C 104 41.899 41.559 0.340 1
1 1289 . 13 1 1 A 104 104 ASP N N 104 116.590 117.834 -1.244 1
1 1290 . 13 1 1 A 105 105 GLY H H 105 8.196 8.441 -0.245 1
1 1291 . 13 1 1 A 105 105 GLY HA2 H 105 4.293 3.948 0.345 1
1 1292 . 13 1 1 A 105 105 GLY HA3 H 105 3.657 3.948 -0.291 1
1 1293 . 13 1 1 A 105 105 GLY C C 105 173.635 174.108 -0.473 1
1 1294 . 13 1 1 A 105 105 GLY CA C 105 45.741 46.242 -0.501 1
1 1295 . 13 1 1 A 105 105 GLY N N 105 107.882 108.501 -0.619 1
1 1296 . 13 1 1 A 106 106 VAL H H 106 8.886 7.264 1.622 1
1 1297 . 13 1 1 A 106 106 VAL HA H 106 4.082 4.540 -0.458 1
1 1305 . 13 1 1 A 106 106 VAL C C 106 175.529 173.871 1.658 1
1 1306 . 13 1 1 A 106 106 VAL CA C 106 61.360 58.703 2.657 1
1 1307 . 13 1 1 A 106 106 VAL CB C 106 32.373 35.122 -2.749 1
1 1310 . 13 1 1 A 106 106 VAL N N 106 125.585 120.487 5.098 1
1 1311 . 13 1 1 A 107 107 PRO HA H 107 4.737 4.433 0.304 1
1 1318 . 13 1 1 A 107 107 PRO C C 107 176.029 176.763 -0.734 1
1 1319 . 13 1 1 A 107 107 PRO CA C 107 62.674 63.103 -0.429 1
1 1320 . 13 1 1 A 107 107 PRO CB C 107 31.789 31.640 0.149 1
1 1323 . 13 1 1 A 108 108 GLN H H 108 8.563 8.618 -0.055 1
1 1324 . 13 1 1 A 108 108 GLN HA H 108 4.498 4.329 0.169 1
1 1331 . 13 1 1 A 108 108 GLN C C 108 176.218 175.444 0.774 1
1 1332 . 13 1 1 A 108 108 GLN CA C 108 54.901 55.629 -0.728 1
1 1333 . 13 1 1 A 108 108 GLN CB C 108 29.514 28.444 1.070 1
1 1336 . 13 1 1 A 108 108 GLN N N 108 122.641 122.192 0.449 1
1 1338 . 13 1 1 A 109 109 LEU H H 109 8.853 7.973 0.880 1
1 1339 . 13 1 1 A 109 109 LEU HA H 109 4.330 4.387 -0.057 1
1 1349 . 13 1 1 A 109 109 LEU C C 109 178.151 179.385 -1.234 1
1 1350 . 13 1 1 A 109 109 LEU CA C 109 56.522 57.152 -0.630 1
1 1351 . 13 1 1 A 109 109 LEU CB C 109 41.883 42.148 -0.265 1
1 1355 . 13 1 1 A 109 109 LEU N N 109 125.974 125.965 0.009 1
1 1356 . 13 1 1 A 110 110 GLY H H 110 8.809 8.443 0.366 1
1 1357 . 13 1 1 A 110 110 GLY HA2 H 110 3.952 3.773 0.179 1
1 1358 . 13 1 1 A 110 110 GLY HA3 H 110 3.551 3.782 -0.231 1
1 1359 . 13 1 1 A 110 110 GLY C C 110 176.002 175.411 0.591 1
1 1360 . 13 1 1 A 110 110 GLY CA C 110 48.748 47.405 1.343 1
1 1361 . 13 1 1 A 110 110 GLY N N 110 109.442 106.112 3.330 1
1 1362 . 13 1 1 A 111 111 ASP H H 111 8.674 8.263 0.411 1
1 1363 . 13 1 1 A 111 111 ASP HA H 111 4.317 4.531 -0.214 1
1 1366 . 13 1 1 A 111 111 ASP C C 111 177.159 178.790 -1.631 1
1 1367 . 13 1 1 A 111 111 ASP CA C 111 56.239 56.144 0.095 1
1 1368 . 13 1 1 A 111 111 ASP CB C 111 39.791 41.025 -1.234 1
1 1369 . 13 1 1 A 111 111 ASP N N 111 119.503 121.064 -1.561 1
1 1370 . 13 1 1 A 112 112 HIS H H 112 7.471 8.092 -0.621 1
1 1371 . 13 1 1 A 112 112 HIS HA H 112 4.481 4.235 0.246 1
1 1376 . 13 1 1 A 112 112 HIS C C 112 177.121 175.491 1.630 1
1 1377 . 13 1 1 A 112 112 HIS CA C 112 56.692 59.458 -2.766 1
1 1378 . 13 1 1 A 112 112 HIS CB C 112 31.648 30.130 1.518 1
1 1381 . 13 1 1 A 112 112 HIS N N 112 116.681 119.710 -3.029 1
1 1382 . 13 1 1 A 113 113 LEU H H 113 7.526 7.781 -0.255 1
1 1383 . 13 1 1 A 113 113 LEU HA H 113 4.148 4.244 -0.096 1
1 1393 . 13 1 1 A 113 113 LEU C C 113 177.363 176.443 0.920 1
1 1394 . 13 1 1 A 113 113 LEU CA C 113 55.509 54.385 1.124 1
1 1395 . 13 1 1 A 113 113 LEU CB C 113 42.009 42.428 -0.419 1
1 1399 . 13 1 1 A 113 113 LEU N N 113 118.976 118.692 0.284 1
1 1400 . 13 1 1 A 114 114 ALA H H 114 7.648 8.463 -0.815 1
1 1401 . 13 1 1 A 114 114 ALA HA H 114 4.227 4.282 -0.055 1
1 1405 . 13 1 1 A 114 114 ALA C C 114 177.692 177.865 -0.173 1
1 1406 . 13 1 1 A 114 114 ALA CA C 114 52.828 54.439 -1.611 1
1 1407 . 13 1 1 A 114 114 ALA CB C 114 18.497 19.765 -1.268 1
1 1408 . 13 1 1 A 114 114 ALA N N 114 121.893 123.644 -1.751 1
1 1409 . 13 1 1 A 115 115 LEU H H 115 7.764 8.002 -0.238 1
1 1410 . 13 1 1 A 115 115 LEU HA H 115 4.146 3.988 0.158 1
1 1420 . 13 1 1 A 115 115 LEU C C 115 177.819 176.481 1.338 1
1 1421 . 13 1 1 A 115 115 LEU CA C 115 55.771 55.671 0.100 1
1 1422 . 13 1 1 A 115 115 LEU CB C 115 42.000 40.729 1.271 1
1 1426 . 13 1 1 A 115 115 LEU N N 115 119.576 118.354 1.222 1
1 12 . 14 1 1 A 2 2 THR HA H 2 3.833 4.269 -0.436 1
1 17 . 14 1 1 A 2 2 THR C C 2 170.665 174.183 -3.518 1
1 18 . 14 1 1 A 2 2 THR CA C 2 62.154 63.993 -1.839 1
1 19 . 14 1 1 A 2 2 THR CB C 2 69.580 69.262 0.318 1
1 21 . 14 1 1 A 3 3 LEU H H 3 9.068 8.988 0.080 1
1 22 . 14 1 1 A 3 3 LEU HA H 3 4.887 5.134 -0.247 1
1 32 . 14 1 1 A 3 3 LEU C C 3 175.859 176.100 -0.241 1
1 33 . 14 1 1 A 3 3 LEU CA C 3 54.426 53.285 1.141 1
1 34 . 14 1 1 A 3 3 LEU CB C 3 43.222 43.632 -0.410 1
1 38 . 14 1 1 A 3 3 LEU N N 3 129.030 127.580 1.450 1
1 39 . 14 1 1 A 4 4 ILE H H 4 8.897 9.360 -0.463 1
1 40 . 14 1 1 A 4 4 ILE HA H 4 4.753 5.157 -0.404 1
1 50 . 14 1 1 A 4 4 ILE C C 4 174.211 174.151 0.060 1
1 51 . 14 1 1 A 4 4 ILE CA C 4 59.998 59.299 0.699 1
1 52 . 14 1 1 A 4 4 ILE CB C 4 41.129 40.627 0.502 1
1 56 . 14 1 1 A 4 4 ILE N N 4 115.702 121.246 -5.544 1
1 57 . 14 1 1 A 5 5 TYR H H 5 9.050 9.323 -0.273 1
1 58 . 14 1 1 A 5 5 TYR HA H 5 5.770 5.108 0.662 1
1 65 . 14 1 1 A 5 5 TYR C C 5 175.987 174.537 1.450 1
1 66 . 14 1 1 A 5 5 TYR CA C 5 57.923 56.721 1.202 1
1 67 . 14 1 1 A 5 5 TYR CB C 5 42.963 41.022 1.941 1
1 72 . 14 1 1 A 5 5 TYR N N 5 114.414 123.802 -9.388 1
1 73 . 14 1 1 A 6 6 LYS H H 6 8.858 9.084 -0.226 1
1 74 . 14 1 1 A 6 6 LYS HA H 6 4.813 5.000 -0.187 1
1 83 . 14 1 1 A 6 6 LYS C C 6 172.801 174.725 -1.924 1
1 84 . 14 1 1 A 6 6 LYS CA C 6 52.969 54.475 -1.506 1
1 85 . 14 1 1 A 6 6 LYS CB C 6 37.109 35.293 1.816 1
1 89 . 14 1 1 A 6 6 LYS N N 6 121.597 123.452 -1.855 1
1 90 . 14 1 1 A 7 7 ILE H H 7 8.277 8.693 -0.416 1
1 91 . 14 1 1 A 7 7 ILE HA H 7 4.702 4.504 0.198 1
1 101 . 14 1 1 A 7 7 ILE C C 7 173.742 174.365 -0.623 1
1 102 . 14 1 1 A 7 7 ILE CA C 7 60.340 59.851 0.489 1
1 103 . 14 1 1 A 7 7 ILE CB C 7 38.941 38.905 0.036 1
1 107 . 14 1 1 A 7 7 ILE N N 7 128.212 128.562 -0.350 1
1 108 . 14 1 1 A 8 8 LEU H H 8 8.627 8.750 -0.123 1
1 109 . 14 1 1 A 8 8 LEU HA H 8 4.757 4.917 -0.160 1
1 119 . 14 1 1 A 8 8 LEU C C 8 173.661 174.647 -0.986 1
1 120 . 14 1 1 A 8 8 LEU CA C 8 54.530 53.647 0.883 1
1 121 . 14 1 1 A 8 8 LEU CB C 8 43.617 44.900 -1.283 1
1 125 . 14 1 1 A 8 8 LEU N N 8 126.590 123.560 3.030 1
1 126 . 14 1 1 A 9 9 SER H H 9 8.546 8.750 -0.204 1
1 127 . 14 1 1 A 9 9 SER HA H 9 4.765 4.765 0.000 1
1 130 . 14 1 1 A 9 9 SER C C 9 175.160 175.374 -0.214 1
1 131 . 14 1 1 A 9 9 SER CA C 9 58.520 57.552 0.968 1
1 132 . 14 1 1 A 9 9 SER CB C 9 65.227 64.430 0.797 1
1 133 . 14 1 1 A 9 9 SER N N 9 115.543 116.483 -0.940 1
1 134 . 14 1 1 A 10 10 ARG H H 10 9.080 9.037 0.043 1
1 135 . 14 1 1 A 10 10 ARG HA H 10 4.037 4.034 0.003 1
1 143 . 14 1 1 A 10 10 ARG C C 10 177.847 178.158 -0.311 1
1 144 . 14 1 1 A 10 10 ARG CA C 10 59.210 59.868 -0.658 1
1 145 . 14 1 1 A 10 10 ARG CB C 10 28.776 29.726 -0.950 1
1 148 . 14 1 1 A 10 10 ARG N N 10 123.688 125.431 -1.743 1
1 150 . 14 1 1 A 11 11 ALA H H 11 8.753 7.950 0.803 1
1 151 . 14 1 1 A 11 11 ALA HA H 11 4.248 4.114 0.134 1
1 155 . 14 1 1 A 11 11 ALA C C 11 181.848 179.832 2.016 1
1 156 . 14 1 1 A 11 11 ALA CA C 11 55.483 54.933 0.550 1
1 157 . 14 1 1 A 11 11 ALA CB C 11 18.209 18.465 -0.256 1
1 158 . 14 1 1 A 11 11 ALA N N 11 119.698 121.688 -1.990 1
1 159 . 14 1 1 A 12 12 GLU H H 12 7.957 8.079 -0.122 1
1 160 . 14 1 1 A 12 12 GLU HA H 12 4.183 4.133 0.050 1
1 165 . 14 1 1 A 12 12 GLU C C 12 179.576 179.144 0.432 1
1 166 . 14 1 1 A 12 12 GLU CA C 12 59.103 59.640 -0.537 1
1 167 . 14 1 1 A 12 12 GLU CB C 12 31.077 29.562 1.515 1
1 169 . 14 1 1 A 12 12 GLU N N 12 118.210 118.410 -0.200 1
1 170 . 14 1 1 A 13 13 TRP H H 13 8.585 7.963 0.622 1
1 171 . 14 1 1 A 13 13 TRP HA H 13 4.937 4.361 0.576 1
1 180 . 14 1 1 A 13 13 TRP C C 13 176.827 178.014 -1.187 1
1 181 . 14 1 1 A 13 13 TRP CA C 13 57.845 61.310 -3.465 1
1 182 . 14 1 1 A 13 13 TRP CB C 13 31.010 30.182 0.828 1
1 188 . 14 1 1 A 13 13 TRP N N 13 123.646 122.401 1.245 1
1 190 . 14 1 1 A 14 14 ASP H H 14 9.260 8.360 0.900 1
1 191 . 14 1 1 A 14 14 ASP HA H 14 4.048 4.026 0.022 1
1 194 . 14 1 1 A 14 14 ASP C C 14 180.120 178.650 1.470 1
1 195 . 14 1 1 A 14 14 ASP CA C 14 57.767 57.204 0.563 1
1 196 . 14 1 1 A 14 14 ASP CB C 14 39.467 40.059 -0.592 1
1 197 . 14 1 1 A 14 14 ASP N N 14 120.253 118.610 1.643 1
1 198 . 14 1 1 A 15 15 ALA H H 15 7.599 7.719 -0.120 1
1 199 . 14 1 1 A 15 15 ALA HA H 15 4.163 4.092 0.071 1
1 203 . 14 1 1 A 15 15 ALA C C 15 180.115 179.698 0.417 1
1 204 . 14 1 1 A 15 15 ALA CA C 15 55.016 55.034 -0.018 1
1 205 . 14 1 1 A 15 15 ALA CB C 15 17.871 18.512 -0.641 1
1 206 . 14 1 1 A 15 15 ALA N N 15 122.164 122.737 -0.573 1
1 207 . 14 1 1 A 16 16 ALA H H 16 7.944 8.260 -0.316 1
1 208 . 14 1 1 A 16 16 ALA HA H 16 4.334 3.997 0.337 1
1 212 . 14 1 1 A 16 16 ALA C C 16 180.101 180.267 -0.166 1
1 213 . 14 1 1 A 16 16 ALA CA C 16 54.659 55.095 -0.436 1
1 214 . 14 1 1 A 16 16 ALA CB C 16 19.107 18.577 0.530 1
1 215 . 14 1 1 A 16 16 ALA N N 16 122.526 120.045 2.481 1
1 216 . 14 1 1 A 17 17 LYS H H 17 8.317 8.121 0.196 1
1 217 . 14 1 1 A 17 17 LYS HA H 17 3.462 3.757 -0.295 1
1 226 . 14 1 1 A 17 17 LYS C C 17 179.126 178.074 1.052 1
1 227 . 14 1 1 A 17 17 LYS CA C 17 60.077 58.570 1.507 1
1 228 . 14 1 1 A 17 17 LYS CB C 17 31.431 31.323 0.108 1
1 232 . 14 1 1 A 17 17 LYS N N 17 117.572 118.494 -0.922 1
1 233 . 14 1 1 A 18 18 ALA H H 18 7.296 7.648 -0.352 1
1 234 . 14 1 1 A 18 18 ALA HA H 18 4.100 4.038 0.062 1
1 238 . 14 1 1 A 18 18 ALA C C 18 178.940 178.978 -0.038 1
1 239 . 14 1 1 A 18 18 ALA CA C 18 54.513 54.747 -0.234 1
1 240 . 14 1 1 A 18 18 ALA CB C 18 18.132 18.203 -0.071 1
1 241 . 14 1 1 A 18 18 ALA N N 18 119.644 122.154 -2.510 1
1 242 . 14 1 1 A 19 19 GLN H H 19 7.443 7.474 -0.031 1
1 243 . 14 1 1 A 19 19 GLN HA H 19 4.535 4.253 0.282 1
1 250 . 14 1 1 A 19 19 GLN C C 19 176.607 176.423 0.184 1
1 251 . 14 1 1 A 19 19 GLN CA C 19 55.755 56.105 -0.350 1
1 252 . 14 1 1 A 19 19 GLN CB C 19 30.075 29.104 0.971 1
1 255 . 14 1 1 A 19 19 GLN N N 19 113.538 115.529 -1.991 1
1 257 . 14 1 1 A 20 20 GLY H H 20 8.277 9.231 -0.954 1
1 258 . 14 1 1 A 20 20 GLY HA2 H 20 4.450 3.854 0.596 1
1 259 . 14 1 1 A 20 20 GLY HA3 H 20 3.627 3.879 -0.252 1
1 260 . 14 1 1 A 20 20 GLY C C 20 174.006 173.428 0.578 1
1 261 . 14 1 1 A 20 20 GLY CA C 20 45.567 45.497 0.070 1
1 262 . 14 1 1 A 20 20 GLY N N 20 108.233 108.387 -0.154 1
1 263 . 14 1 1 A 21 21 ARG H H 21 7.786 7.261 0.525 1
1 264 . 14 1 1 A 21 21 ARG HA H 21 5.123 4.935 0.188 1
1 272 . 14 1 1 A 21 21 ARG C C 21 171.553 174.118 -2.565 1
1 273 . 14 1 1 A 21 21 ARG CA C 21 54.882 54.382 0.500 1
1 274 . 14 1 1 A 21 21 ARG CB C 21 32.114 33.300 -1.186 1
1 277 . 14 1 1 A 21 21 ARG N N 21 116.837 115.670 1.167 1
1 279 . 14 1 1 A 22 22 PHE H H 22 9.821 9.584 0.237 1
1 280 . 14 1 1 A 22 22 PHE HA H 22 5.185 4.796 0.389 1
1 285 . 14 1 1 A 22 22 PHE C C 22 173.825 175.464 -1.639 1
1 286 . 14 1 1 A 22 22 PHE CA C 22 54.913 57.336 -2.423 1
1 287 . 14 1 1 A 22 22 PHE CB C 22 41.568 40.087 1.481 1
1 290 . 14 1 1 A 22 22 PHE N N 22 121.680 124.761 -3.081 1
1 291 . 14 1 1 A 23 23 GLU H H 23 9.053 8.589 0.464 1
1 292 . 14 1 1 A 23 23 GLU HA H 23 3.893 4.488 -0.595 1
1 297 . 14 1 1 A 23 23 GLU C C 23 174.856 175.627 -0.771 1
1 298 . 14 1 1 A 23 23 GLU CA C 23 56.781 55.723 1.058 1
1 299 . 14 1 1 A 23 23 GLU CB C 23 29.990 30.627 -0.637 1
1 301 . 14 1 1 A 23 23 GLU N N 23 125.059 126.793 -1.734 1
1 302 . 14 1 1 A 24 24 GLY HA2 H 24 4.212 3.911 0.301 1
1 303 . 14 1 1 A 24 24 GLY HA3 H 24 3.112 3.935 -0.823 1
1 304 . 14 1 1 A 24 24 GLY C C 24 173.311 171.792 1.519 1
1 305 . 14 1 1 A 24 24 GLY CA C 24 45.104 43.774 1.330 1
1 306 . 14 1 1 A 25 25 SER H H 25 9.877 8.248 1.629 1
1 307 . 14 1 1 A 25 25 SER HA H 25 4.884 4.839 0.045 1
1 310 . 14 1 1 A 25 25 SER C C 25 173.788 174.808 -1.020 1
1 311 . 14 1 1 A 25 25 SER CA C 25 57.549 55.692 1.857 1
1 312 . 14 1 1 A 25 25 SER CB C 25 65.383 65.867 -0.484 1
1 313 . 14 1 1 A 25 25 SER N N 25 121.073 114.529 6.544 1
1 314 . 14 1 1 A 26 26 ALA H H 26 9.097 8.909 0.188 1
1 315 . 14 1 1 A 26 26 ALA HA H 26 3.964 3.971 -0.007 1
1 319 . 14 1 1 A 26 26 ALA C C 26 181.102 179.843 1.259 1
1 320 . 14 1 1 A 26 26 ALA CA C 26 56.670 55.285 1.385 1
1 321 . 14 1 1 A 26 26 ALA CB C 26 17.927 18.371 -0.444 1
1 322 . 14 1 1 A 26 26 ALA N N 26 123.398 126.273 -2.875 1
1 323 . 14 1 1 A 27 27 VAL H H 27 7.928 7.763 0.165 1
1 324 . 14 1 1 A 27 27 VAL HA H 27 3.593 3.426 0.167 1
1 332 . 14 1 1 A 27 27 VAL C C 27 176.628 177.712 -1.084 1
1 333 . 14 1 1 A 27 27 VAL CA C 27 65.257 67.308 -2.051 1
1 334 . 14 1 1 A 27 27 VAL CB C 27 31.688 31.557 0.131 1
1 337 . 14 1 1 A 27 27 VAL N N 27 117.697 118.001 -0.304 1
1 338 . 14 1 1 A 28 28 ASP H H 28 6.927 8.190 -1.263 1
1 339 . 14 1 1 A 28 28 ASP HA H 28 4.512 4.764 -0.252 1
1 342 . 14 1 1 A 28 28 ASP C C 28 178.402 178.770 -0.368 1
1 343 . 14 1 1 A 28 28 ASP CA C 28 56.586 57.421 -0.835 1
1 344 . 14 1 1 A 28 28 ASP CB C 28 41.317 40.654 0.663 1
1 345 . 14 1 1 A 28 28 ASP N N 28 121.516 120.869 0.647 1
1 346 . 14 1 1 A 29 29 LEU H H 29 8.309 8.390 -0.081 1
1 347 . 14 1 1 A 29 29 LEU HA H 29 3.764 4.050 -0.286 1
1 357 . 14 1 1 A 29 29 LEU C C 29 180.093 179.496 0.597 1
1 358 . 14 1 1 A 29 29 LEU CA C 29 57.091 57.291 -0.200 1
1 359 . 14 1 1 A 29 29 LEU CB C 29 41.418 41.287 0.131 1
1 363 . 14 1 1 A 29 29 LEU N N 29 118.648 120.467 -1.819 1
1 364 . 14 1 1 A 30 30 ALA H H 30 7.458 7.755 -0.297 1
1 365 . 14 1 1 A 30 30 ALA HA H 30 4.000 3.955 0.045 1
1 369 . 14 1 1 A 30 30 ALA C C 30 179.371 179.679 -0.308 1
1 370 . 14 1 1 A 30 30 ALA CA C 30 54.526 55.259 -0.733 1
1 371 . 14 1 1 A 30 30 ALA CB C 30 18.102 17.730 0.372 1
1 372 . 14 1 1 A 30 30 ALA N N 30 120.814 122.642 -1.828 1
1 373 . 14 1 1 A 31 31 ASP H H 31 7.682 7.679 0.003 1
1 374 . 14 1 1 A 31 31 ASP HA H 31 4.410 4.425 -0.015 1
1 377 . 14 1 1 A 31 31 ASP C C 31 176.610 176.239 0.371 1
1 378 . 14 1 1 A 31 31 ASP CA C 31 55.271 56.099 -0.828 1
1 379 . 14 1 1 A 31 31 ASP CB C 31 40.083 41.398 -1.315 1
1 380 . 14 1 1 A 31 31 ASP N N 31 117.191 117.565 -0.374 1
1 381 . 14 1 1 A 32 32 GLY H H 32 7.909 7.863 0.046 1
1 382 . 14 1 1 A 32 32 GLY HA2 H 32 4.090 3.890 0.200 1
1 383 . 14 1 1 A 32 32 GLY HA3 H 32 3.597 3.983 -0.386 1
1 384 . 14 1 1 A 32 32 GLY C C 32 173.168 173.921 -0.753 1
1 385 . 14 1 1 A 32 32 GLY CA C 32 45.112 45.357 -0.245 1
1 386 . 14 1 1 A 32 32 GLY N N 32 106.983 104.864 2.119 1
1 387 . 14 1 1 A 33 33 PHE H H 33 7.233 8.121 -0.888 1
1 388 . 14 1 1 A 33 33 PHE HA H 33 4.212 5.120 -0.908 1
1 396 . 14 1 1 A 33 33 PHE C C 33 171.389 175.400 -4.011 1
1 397 . 14 1 1 A 33 33 PHE CA C 33 55.383 56.576 -1.193 1
1 398 . 14 1 1 A 33 33 PHE CB C 33 37.177 42.890 -5.713 1
1 404 . 14 1 1 A 33 33 PHE N N 33 115.364 119.138 -3.774 1
1 405 . 14 1 1 A 34 34 ILE H H 34 8.637 8.636 0.001 1
1 406 . 14 1 1 A 34 34 ILE HA H 34 3.817 3.937 -0.120 1
1 416 . 14 1 1 A 34 34 ILE C C 34 177.018 175.684 1.334 1
1 417 . 14 1 1 A 34 34 ILE CA C 34 60.724 62.755 -2.031 1
1 418 . 14 1 1 A 34 34 ILE CB C 34 39.266 38.189 1.077 1
1 422 . 14 1 1 A 34 34 ILE N N 34 114.086 122.398 -8.312 1
1 423 . 14 1 1 A 35 35 HIS H H 35 9.203 8.518 0.685 1
1 424 . 14 1 1 A 35 35 HIS HA H 35 4.448 5.428 -0.980 1
1 428 . 14 1 1 A 35 35 HIS C C 35 175.740 173.187 2.553 1
1 429 . 14 1 1 A 35 35 HIS CA C 35 57.757 53.412 4.345 1
1 430 . 14 1 1 A 35 35 HIS CB C 35 29.758 32.416 -2.658 1
1 432 . 14 1 1 A 35 35 HIS N N 35 127.988 123.131 4.857 1
1 433 . 14 1 1 A 36 36 LEU H H 36 8.454 9.149 -0.695 1
1 434 . 14 1 1 A 36 36 LEU HA H 36 5.190 4.705 0.485 1
1 444 . 14 1 1 A 36 36 LEU C C 36 174.813 175.688 -0.875 1
1 445 . 14 1 1 A 36 36 LEU CA C 36 56.019 53.866 2.153 1
1 446 . 14 1 1 A 36 36 LEU CB C 36 44.541 42.295 2.246 1
1 450 . 14 1 1 A 36 36 LEU N N 36 126.075 125.358 0.717 1
1 451 . 14 1 1 A 37 37 SER H H 37 9.128 8.980 0.148 1
1 452 . 14 1 1 A 37 37 SER HA H 37 5.277 5.331 -0.054 1
1 455 . 14 1 1 A 37 37 SER C C 37 174.433 173.092 1.341 1
1 456 . 14 1 1 A 37 37 SER CA C 37 57.990 56.742 1.248 1
1 457 . 14 1 1 A 37 37 SER CB C 37 66.778 66.351 0.427 1
1 458 . 14 1 1 A 37 37 SER N N 37 112.795 112.093 0.702 1
1 459 . 14 1 1 A 38 38 ALA H H 38 9.665 8.322 1.343 1
1 460 . 14 1 1 A 38 38 ALA HA H 38 4.973 4.949 0.024 1
1 464 . 14 1 1 A 38 38 ALA C C 38 179.640 177.792 1.848 1
1 465 . 14 1 1 A 38 38 ALA CA C 38 52.303 51.535 0.768 1
1 466 . 14 1 1 A 38 38 ALA CB C 38 19.350 20.468 -1.118 1
1 467 . 14 1 1 A 38 38 ALA N N 38 127.103 125.170 1.933 1
1 468 . 14 1 1 A 39 39 GLY H H 39 10.159 9.031 1.128 1
1 469 . 14 1 1 A 39 39 GLY HA2 H 39 4.249 3.802 0.447 1
1 470 . 14 1 1 A 39 39 GLY HA3 H 39 3.720 3.897 -0.177 1
1 471 . 14 1 1 A 39 39 GLY C C 39 176.229 175.330 0.899 1
1 472 . 14 1 1 A 39 39 GLY CA C 39 49.163 47.289 1.874 1
1 473 . 14 1 1 A 39 39 GLY N N 39 112.007 114.780 -2.773 1
1 474 . 14 1 1 A 40 40 GLU H H 40 9.367 8.861 0.506 1
1 475 . 14 1 1 A 40 40 GLU HA H 40 4.234 3.990 0.244 1
1 480 . 14 1 1 A 40 40 GLU C C 40 176.417 178.761 -2.344 1
1 481 . 14 1 1 A 40 40 GLU CA C 40 58.622 59.382 -0.760 1
1 482 . 14 1 1 A 40 40 GLU CB C 40 28.796 29.116 -0.320 1
1 484 . 14 1 1 A 40 40 GLU N N 40 117.243 125.229 -7.986 1
1 485 . 14 1 1 A 41 41 GLN H H 41 7.503 8.098 -0.595 1
1 486 . 14 1 1 A 41 41 GLN HA H 41 4.752 4.104 0.648 1
1 493 . 14 1 1 A 41 41 GLN C C 41 177.730 178.946 -1.216 1
1 494 . 14 1 1 A 41 41 GLN CA C 41 55.626 58.951 -3.325 1
1 495 . 14 1 1 A 41 41 GLN CB C 41 30.653 28.175 2.478 1
1 498 . 14 1 1 A 41 41 GLN N N 41 115.837 118.368 -2.531 1
1 500 . 14 1 1 A 42 42 ALA H H 42 7.519 8.038 -0.519 1
1 501 . 14 1 1 A 42 42 ALA HA H 42 3.927 4.303 -0.376 1
1 505 . 14 1 1 A 42 42 ALA C C 42 177.826 179.121 -1.295 1
1 506 . 14 1 1 A 42 42 ALA CA C 42 56.706 55.539 1.167 1
1 507 . 14 1 1 A 42 42 ALA CB C 42 18.247 18.230 0.017 1
1 508 . 14 1 1 A 42 42 ALA N N 42 123.105 122.891 0.214 1
1 509 . 14 1 1 A 43 43 GLN H H 43 9.203 8.073 1.130 1
1 510 . 14 1 1 A 43 43 GLN HA H 43 3.942 3.964 -0.022 1
1 517 . 14 1 1 A 43 43 GLN C C 43 177.913 178.118 -0.205 1
1 518 . 14 1 1 A 43 43 GLN CA C 43 58.678 59.334 -0.656 1
1 519 . 14 1 1 A 43 43 GLN CB C 43 28.815 28.215 0.600 1
1 522 . 14 1 1 A 43 43 GLN N N 43 118.650 117.782 0.868 1
1 524 . 14 1 1 A 44 44 GLU H H 44 8.611 8.159 0.452 1
1 525 . 14 1 1 A 44 44 GLU HA H 44 4.207 4.056 0.151 1
1 530 . 14 1 1 A 44 44 GLU C C 44 179.090 179.402 -0.312 1
1 531 . 14 1 1 A 44 44 GLU CA C 44 59.246 59.483 -0.237 1
1 532 . 14 1 1 A 44 44 GLU CB C 44 28.850 29.504 -0.654 1
1 534 . 14 1 1 A 44 44 GLU N N 44 122.042 119.008 3.034 1
1 535 . 14 1 1 A 45 45 THR H H 45 8.292 8.566 -0.274 1
1 536 . 14 1 1 A 45 45 THR HA H 45 4.123 4.299 -0.176 1
1 541 . 14 1 1 A 45 45 THR C C 45 176.228 176.950 -0.722 1
1 542 . 14 1 1 A 45 45 THR CA C 45 66.902 66.407 0.495 1
1 543 . 14 1 1 A 45 45 THR CB C 45 68.949 68.760 0.189 1
1 545 . 14 1 1 A 45 45 THR N N 45 117.583 115.916 1.667 1
1 546 . 14 1 1 A 46 46 ALA H H 46 8.275 8.666 -0.391 1
1 547 . 14 1 1 A 46 46 ALA HA H 46 4.255 4.174 0.081 1
1 551 . 14 1 1 A 46 46 ALA C C 46 178.630 179.976 -1.346 1
1 552 . 14 1 1 A 46 46 ALA CA C 46 55.406 55.336 0.070 1
1 553 . 14 1 1 A 46 46 ALA CB C 46 18.482 18.240 0.242 1
1 554 . 14 1 1 A 46 46 ALA N N 46 123.184 123.772 -0.588 1
1 555 . 14 1 1 A 47 47 ALA H H 47 8.066 7.942 0.124 1
1 556 . 14 1 1 A 47 47 ALA HA H 47 3.953 4.169 -0.216 1
1 560 . 14 1 1 A 47 47 ALA C C 47 178.552 179.067 -0.515 1
1 561 . 14 1 1 A 47 47 ALA CA C 47 55.030 54.398 0.632 1
1 562 . 14 1 1 A 47 47 ALA CB C 47 18.899 18.648 0.251 1
1 563 . 14 1 1 A 47 47 ALA N N 47 117.129 120.141 -3.012 1
1 564 . 14 1 1 A 48 48 LYS H H 48 8.089 7.766 0.323 1
1 565 . 14 1 1 A 48 48 LYS HA H 48 3.936 4.047 -0.111 1
1 574 . 14 1 1 A 48 48 LYS C C 48 179.130 178.156 0.974 1
1 575 . 14 1 1 A 48 48 LYS CA C 48 58.560 58.071 0.489 1
1 576 . 14 1 1 A 48 48 LYS CB C 48 33.122 33.126 -0.004 1
1 580 . 14 1 1 A 48 48 LYS N N 48 115.322 117.449 -2.127 1
1 581 . 14 1 1 A 49 49 TRP H H 49 7.978 8.038 -0.060 1
1 582 . 14 1 1 A 49 49 TRP HA H 49 4.807 4.565 0.242 1
1 591 . 14 1 1 A 49 49 TRP C C 49 176.923 177.086 -0.163 1
1 592 . 14 1 1 A 49 49 TRP CA C 49 57.157 58.747 -1.590 1
1 593 . 14 1 1 A 49 49 TRP CB C 49 31.461 30.828 0.633 1
1 599 . 14 1 1 A 49 49 TRP N N 49 114.492 116.941 -2.449 1
1 601 . 14 1 1 A 50 50 PHE H H 50 7.740 7.797 -0.057 1
1 602 . 14 1 1 A 50 50 PHE HA H 50 4.925 4.739 0.186 1
1 608 . 14 1 1 A 50 50 PHE C C 50 174.160 174.808 -0.648 1
1 609 . 14 1 1 A 50 50 PHE CA C 50 57.772 56.463 1.309 1
1 610 . 14 1 1 A 50 50 PHE CB C 50 39.610 36.879 2.731 1
1 614 . 14 1 1 A 50 50 PHE N N 50 116.540 116.752 -0.212 1
1 615 . 14 1 1 A 51 51 ARG H H 51 7.389 8.093 -0.704 1
1 616 . 14 1 1 A 51 51 ARG HA H 51 4.198 4.743 -0.545 1
1 624 . 14 1 1 A 51 51 ARG C C 51 179.130 176.523 2.607 1
1 625 . 14 1 1 A 51 51 ARG CA C 51 58.224 54.885 3.339 1
1 626 . 14 1 1 A 51 51 ARG CB C 51 30.032 32.664 -2.632 1
1 629 . 14 1 1 A 51 51 ARG N N 51 119.136 121.107 -1.971 1
1 631 . 14 1 1 A 52 52 GLY H H 52 10.264 9.024 1.240 1
1 632 . 14 1 1 A 52 52 GLY HA2 H 52 4.180 3.891 0.289 1
1 633 . 14 1 1 A 52 52 GLY HA3 H 52 3.745 3.896 -0.151 1
1 634 . 14 1 1 A 52 52 GLY C C 52 173.980 174.359 -0.379 1
1 635 . 14 1 1 A 52 52 GLY CA C 52 45.517 46.708 -1.191 1
1 636 . 14 1 1 A 52 52 GLY N N 52 114.192 112.435 1.757 1
1 637 . 14 1 1 A 53 53 GLN H H 53 7.597 7.961 -0.364 1
1 638 . 14 1 1 A 53 53 GLN HA H 53 4.437 4.726 -0.289 1
1 645 . 14 1 1 A 53 53 GLN C C 53 172.934 174.816 -1.882 1
1 646 . 14 1 1 A 53 53 GLN CA C 53 56.280 54.095 2.185 1
1 647 . 14 1 1 A 53 53 GLN CB C 53 29.123 30.989 -1.866 1
1 650 . 14 1 1 A 53 53 GLN N N 53 120.438 118.853 1.585 1
1 652 . 14 1 1 A 54 54 ALA H H 54 8.190 8.616 -0.426 1
1 653 . 14 1 1 A 54 54 ALA HA H 54 4.344 4.291 0.053 1
1 657 . 14 1 1 A 54 54 ALA C C 54 177.278 177.753 -0.475 1
1 658 . 14 1 1 A 54 54 ALA CA C 54 51.377 52.745 -1.368 1
1 659 . 14 1 1 A 54 54 ALA CB C 54 20.525 18.929 1.596 1
1 660 . 14 1 1 A 54 54 ALA N N 54 124.528 125.981 -1.453 1
1 661 . 14 1 1 A 55 55 ASN H H 55 8.903 8.802 0.101 1
1 662 . 14 1 1 A 55 55 ASN HA H 55 4.598 4.311 0.287 1
1 667 . 14 1 1 A 55 55 ASN C C 55 174.075 174.435 -0.360 1
1 668 . 14 1 1 A 55 55 ASN CA C 55 53.986 53.908 0.078 1
1 669 . 14 1 1 A 55 55 ASN CB C 55 37.654 37.088 0.566 1
1 671 . 14 1 1 A 55 55 ASN N N 55 113.776 117.693 -3.917 1
1 673 . 14 1 1 A 56 56 LEU H H 56 8.543 8.043 0.500 1
1 674 . 14 1 1 A 56 56 LEU HA H 56 4.677 4.814 -0.137 1
1 684 . 14 1 1 A 56 56 LEU C C 56 176.806 175.958 0.848 1
1 685 . 14 1 1 A 56 56 LEU CA C 56 54.383 53.395 0.988 1
1 686 . 14 1 1 A 56 56 LEU CB C 56 45.328 43.149 2.179 1
1 690 . 14 1 1 A 56 56 LEU N N 56 117.411 120.809 -3.398 1
1 691 . 14 1 1 A 57 57 VAL H H 57 9.207 9.141 0.066 1
1 692 . 14 1 1 A 57 57 VAL HA H 57 4.633 4.817 -0.184 1
1 700 . 14 1 1 A 57 57 VAL C C 57 172.465 174.122 -1.657 1
1 701 . 14 1 1 A 57 57 VAL CA C 57 59.970 60.816 -0.846 1
1 702 . 14 1 1 A 57 57 VAL CB C 57 35.376 34.709 0.667 1
1 705 . 14 1 1 A 57 57 VAL N N 57 121.448 124.117 -2.669 1
1 706 . 14 1 1 A 58 58 LEU H H 58 8.855 8.950 -0.095 1
1 707 . 14 1 1 A 58 58 LEU HA H 58 4.763 4.992 -0.229 1
1 717 . 14 1 1 A 58 58 LEU C C 58 175.349 174.344 1.005 1
1 718 . 14 1 1 A 58 58 LEU CA C 58 52.286 53.573 -1.287 1
1 719 . 14 1 1 A 58 58 LEU CB C 58 46.390 45.413 0.977 1
1 723 . 14 1 1 A 58 58 LEU N N 58 124.476 127.069 -2.593 1
1 724 . 14 1 1 A 59 59 LEU H H 59 9.265 9.172 0.093 1
1 725 . 14 1 1 A 59 59 LEU HA H 59 4.714 4.505 0.209 1
1 735 . 14 1 1 A 59 59 LEU C C 59 175.262 174.983 0.279 1
1 736 . 14 1 1 A 59 59 LEU CA C 59 52.753 53.616 -0.863 1
1 737 . 14 1 1 A 59 59 LEU CB C 59 42.431 41.368 1.063 1
1 741 . 14 1 1 A 59 59 LEU N N 59 125.973 128.189 -2.216 1
1 742 . 14 1 1 A 60 60 ALA H H 60 8.331 8.489 -0.158 1
1 743 . 14 1 1 A 60 60 ALA HA H 60 4.739 4.409 0.330 1
1 747 . 14 1 1 A 60 60 ALA C C 60 175.631 176.234 -0.603 1
1 748 . 14 1 1 A 60 60 ALA CA C 60 50.320 50.315 0.005 1
1 749 . 14 1 1 A 60 60 ALA CB C 60 21.744 19.835 1.909 1
1 750 . 14 1 1 A 60 60 ALA N N 60 124.617 128.322 -3.705 1
1 751 . 14 1 1 A 61 61 VAL H H 61 8.944 8.517 0.427 1
1 752 . 14 1 1 A 61 61 VAL HA H 61 4.244 4.531 -0.287 1
1 760 . 14 1 1 A 61 61 VAL C C 61 174.674 175.171 -0.497 1
1 761 . 14 1 1 A 61 61 VAL CA C 61 60.770 60.456 0.314 1
1 762 . 14 1 1 A 61 61 VAL CB C 61 36.636 35.230 1.406 1
1 765 . 14 1 1 A 61 61 VAL N N 61 124.079 123.399 0.680 1
1 766 . 14 1 1 A 62 62 GLU H H 62 8.490 8.481 0.009 1
1 767 . 14 1 1 A 62 62 GLU HA H 62 4.551 4.342 0.209 1
1 772 . 14 1 1 A 62 62 GLU C C 62 177.700 177.610 0.090 1
1 773 . 14 1 1 A 62 62 GLU CA C 62 56.879 56.888 -0.009 1
1 774 . 14 1 1 A 62 62 GLU CB C 62 29.372 30.944 -1.572 1
1 776 . 14 1 1 A 62 62 GLU N N 62 127.752 126.561 1.191 1
1 777 . 14 1 1 A 63 63 ALA H H 63 9.173 9.167 0.006 1
1 778 . 14 1 1 A 63 63 ALA HA H 63 3.991 3.996 -0.005 1
1 782 . 14 1 1 A 63 63 ALA C C 63 180.311 177.802 2.509 1
1 783 . 14 1 1 A 63 63 ALA CA C 63 54.850 55.461 -0.611 1
1 784 . 14 1 1 A 63 63 ALA CB C 63 19.495 18.622 0.873 1
1 785 . 14 1 1 A 63 63 ALA N N 63 127.466 129.171 -1.705 1
1 786 . 14 1 1 A 64 64 GLU H H 64 9.571 7.974 1.597 1
1 787 . 14 1 1 A 64 64 GLU HA H 64 4.146 4.431 -0.285 1
1 792 . 14 1 1 A 64 64 GLU C C 64 177.102 177.159 -0.057 1
1 793 . 14 1 1 A 64 64 GLU CA C 64 63.532 58.346 5.186 1
1 794 . 14 1 1 A 64 64 GLU CB C 64 25.742 28.508 -2.766 1
1 796 . 14 1 1 A 64 64 GLU N N 64 120.368 114.103 6.265 1
1 797 . 14 1 1 A 65 65 PRO HA H 65 4.440 4.326 0.114 1
1 804 . 14 1 1 A 65 65 PRO C C 65 177.332 178.165 -0.833 1
1 805 . 14 1 1 A 65 65 PRO CA C 65 64.973 66.101 -1.128 1
1 806 . 14 1 1 A 65 65 PRO CB C 65 31.341 31.618 -0.277 1
1 809 . 14 1 1 A 66 66 LEU H H 66 7.412 8.151 -0.739 1
1 810 . 14 1 1 A 66 66 LEU HA H 66 4.023 4.098 -0.075 1
1 820 . 14 1 1 A 66 66 LEU C C 66 178.533 176.579 1.954 1
1 821 . 14 1 1 A 66 66 LEU CA C 66 55.861 55.555 0.306 1
1 822 . 14 1 1 A 66 66 LEU CB C 66 41.349 39.784 1.565 1
1 826 . 14 1 1 A 66 66 LEU N N 66 114.991 116.617 -1.626 1
1 827 . 14 1 1 A 67 67 GLY H H 67 7.733 8.073 -0.340 1
1 828 . 14 1 1 A 67 67 GLY HA2 H 67 4.018 3.777 0.241 1
1 829 . 14 1 1 A 67 67 GLY HA3 H 67 3.909 3.784 0.125 1
1 830 . 14 1 1 A 67 67 GLY C C 67 175.925 175.093 0.832 1
1 831 . 14 1 1 A 67 67 GLY CA C 67 46.054 46.387 -0.333 1
1 832 . 14 1 1 A 67 67 GLY N N 67 104.242 108.631 -4.389 1
1 833 . 14 1 1 A 68 68 GLU H H 68 8.887 8.883 0.004 1
1 834 . 14 1 1 A 68 68 GLU HA H 68 4.219 4.349 -0.130 1
1 839 . 14 1 1 A 68 68 GLU C C 68 176.314 177.125 -0.811 1
1 840 . 14 1 1 A 68 68 GLU CA C 68 57.652 57.829 -0.177 1
1 841 . 14 1 1 A 68 68 GLU CB C 68 29.306 29.527 -0.221 1
1 843 . 14 1 1 A 68 68 GLU N N 68 121.253 125.132 -3.879 1
1 844 . 14 1 1 A 69 69 ASP H H 69 7.630 7.960 -0.330 1
1 845 . 14 1 1 A 69 69 ASP HA H 69 4.587 4.609 -0.022 1
1 848 . 14 1 1 A 69 69 ASP C C 69 174.665 175.980 -1.315 1
1 849 . 14 1 1 A 69 69 ASP CA C 69 56.078 57.264 -1.186 1
1 850 . 14 1 1 A 69 69 ASP CB C 69 41.572 41.014 0.558 1
1 851 . 14 1 1 A 69 69 ASP N N 69 116.486 118.280 -1.794 1
1 852 . 14 1 1 A 70 70 LEU H H 70 7.433 7.052 0.381 1
1 853 . 14 1 1 A 70 70 LEU HA H 70 4.854 5.059 -0.205 1
1 863 . 14 1 1 A 70 70 LEU C C 70 174.259 175.083 -0.824 1
1 864 . 14 1 1 A 70 70 LEU CA C 70 53.281 53.730 -0.449 1
1 865 . 14 1 1 A 70 70 LEU CB C 70 43.024 45.154 -2.130 1
1 869 . 14 1 1 A 70 70 LEU N N 70 121.585 119.059 2.526 1
1 870 . 14 1 1 A 71 71 LYS H H 71 9.114 8.259 0.855 1
1 871 . 14 1 1 A 71 71 LYS HA H 71 4.724 4.672 0.052 1
1 880 . 14 1 1 A 71 71 LYS C C 71 175.146 174.644 0.502 1
1 881 . 14 1 1 A 71 71 LYS CA C 71 54.024 55.511 -1.487 1
1 882 . 14 1 1 A 71 71 LYS CB C 71 35.469 36.610 -1.141 1
1 886 . 14 1 1 A 71 71 LYS N N 71 126.179 124.898 1.281 1
1 887 . 14 1 1 A 72 72 TRP H H 72 8.981 8.933 0.048 1
1 888 . 14 1 1 A 72 72 TRP HA H 72 4.720 4.858 -0.138 1
1 897 . 14 1 1 A 72 72 TRP C C 72 176.394 175.694 0.700 1
1 898 . 14 1 1 A 72 72 TRP CA C 72 55.876 55.921 -0.045 1
1 899 . 14 1 1 A 72 72 TRP CB C 72 27.789 27.115 0.674 1
1 905 . 14 1 1 A 72 72 TRP N N 72 125.904 128.005 -2.101 1
1 907 . 14 1 1 A 73 73 GLU H H 73 8.558 8.907 -0.349 1
1 908 . 14 1 1 A 73 73 GLU HA H 73 4.762 4.621 0.141 1
1 913 . 14 1 1 A 73 73 GLU C C 73 175.459 176.032 -0.573 1
1 914 . 14 1 1 A 73 73 GLU CA C 73 55.208 56.591 -1.383 1
1 915 . 14 1 1 A 73 73 GLU CB C 73 32.615 30.194 2.421 1
1 917 . 14 1 1 A 73 73 GLU N N 73 123.290 124.879 -1.589 1
1 918 . 14 1 1 A 74 74 ALA H H 74 8.962 8.811 0.151 1
1 919 . 14 1 1 A 74 74 ALA HA H 74 4.738 5.194 -0.456 1
1 923 . 14 1 1 A 74 74 ALA C C 74 177.803 175.387 2.416 1
1 924 . 14 1 1 A 74 74 ALA CA C 74 52.246 51.410 0.836 1
1 925 . 14 1 1 A 74 74 ALA CB C 74 20.070 24.542 -4.472 1
1 926 . 14 1 1 A 74 74 ALA N N 74 127.315 128.336 -1.021 1
1 927 . 14 1 1 A 75 75 SER H H 75 8.762 8.802 -0.040 1
1 928 . 14 1 1 A 75 75 SER HA H 75 4.850 5.016 -0.166 1
1 931 . 14 1 1 A 75 75 SER C C 75 176.080 174.182 1.898 1
1 932 . 14 1 1 A 75 75 SER CA C 75 56.954 57.343 -0.389 1
1 933 . 14 1 1 A 75 75 SER CB C 75 65.244 66.435 -1.191 1
1 934 . 14 1 1 A 75 75 SER N N 75 117.745 114.011 3.734 1
1 935 . 14 1 1 A 76 76 ARG HA H 76 4.193 3.966 0.227 1
1 943 . 14 1 1 A 76 76 ARG CA C 76 58.895 58.737 0.158 1
1 944 . 14 1 1 A 76 76 ARG CB C 76 29.877 28.137 1.740 1
1 947 . 14 1 1 A 77 77 GLY C C 77 175.277 174.142 1.135 1
1 948 . 14 1 1 A 78 78 GLY H H 78 8.045 8.128 -0.083 1
1 949 . 14 1 1 A 78 78 GLY HA2 H 78 4.390 4.074 0.316 1
1 950 . 14 1 1 A 78 78 GLY HA3 H 78 3.786 4.077 -0.291 1
1 951 . 14 1 1 A 78 78 GLY C C 78 173.503 173.708 -0.205 1
1 952 . 14 1 1 A 78 78 GLY CA C 78 45.296 45.037 0.259 1
1 953 . 14 1 1 A 78 78 GLY N N 78 110.323 108.544 1.779 1
1 954 . 14 1 1 A 79 79 ALA H H 79 7.879 8.576 -0.697 1
1 955 . 14 1 1 A 79 79 ALA HA H 79 4.357 3.972 0.385 1
1 959 . 14 1 1 A 79 79 ALA C C 79 176.674 176.555 0.119 1
1 960 . 14 1 1 A 79 79 ALA CA C 79 52.151 54.332 -2.181 1
1 961 . 14 1 1 A 79 79 ALA CB C 79 20.171 17.832 2.339 1
1 962 . 14 1 1 A 79 79 ALA N N 79 123.865 121.815 2.050 1
1 963 . 14 1 1 A 80 80 ARG H H 80 8.375 8.127 0.248 1
1 964 . 14 1 1 A 80 80 ARG HA H 80 4.629 5.155 -0.526 1
1 972 . 14 1 1 A 80 80 ARG C C 80 175.713 173.746 1.967 1
1 973 . 14 1 1 A 80 80 ARG CA C 80 55.622 54.925 0.697 1
1 974 . 14 1 1 A 80 80 ARG CB C 80 32.074 33.892 -1.818 1
1 977 . 14 1 1 A 80 80 ARG N N 80 119.145 116.696 2.449 1
1 979 . 14 1 1 A 81 81 PHE H H 81 8.722 8.702 0.020 1
1 980 . 14 1 1 A 81 81 PHE HA H 81 5.156 5.122 0.034 1
1 988 . 14 1 1 A 81 81 PHE C C 81 172.806 174.190 -1.384 1
1 989 . 14 1 1 A 81 81 PHE CA C 81 54.950 55.237 -0.287 1
1 990 . 14 1 1 A 81 81 PHE CB C 81 42.240 41.970 0.270 1
1 996 . 14 1 1 A 81 81 PHE N N 81 123.774 120.228 3.546 1
1 997 . 14 1 1 A 82 82 PRO HA H 82 3.635 4.328 -0.693 1
1 1004 . 14 1 1 A 82 82 PRO C C 82 174.511 175.880 -1.369 1
1 1005 . 14 1 1 A 82 82 PRO CA C 82 61.347 62.421 -1.074 1
1 1006 . 14 1 1 A 82 82 PRO CB C 82 29.495 30.035 -0.540 1
1 1009 . 14 1 1 A 83 83 HIS H H 83 8.831 8.967 -0.136 1
1 1010 . 14 1 1 A 83 83 HIS HA H 83 5.330 4.994 0.336 1
1 1014 . 14 1 1 A 83 83 HIS C C 83 172.952 174.137 -1.185 1
1 1015 . 14 1 1 A 83 83 HIS CA C 83 50.700 55.686 -4.986 1
1 1016 . 14 1 1 A 83 83 HIS CB C 83 33.238 31.043 2.195 1
1 1018 . 14 1 1 A 83 83 HIS N N 83 124.483 122.993 1.490 1
1 1019 . 14 1 1 A 84 84 LEU H H 84 9.063 8.956 0.107 1
1 1020 . 14 1 1 A 84 84 LEU HA H 84 5.163 4.966 0.197 1
1 1030 . 14 1 1 A 84 84 LEU C C 84 176.699 176.505 0.194 1
1 1031 . 14 1 1 A 84 84 LEU CA C 84 53.829 53.439 0.390 1
1 1032 . 14 1 1 A 84 84 LEU CB C 84 45.366 43.136 2.230 1
1 1036 . 14 1 1 A 84 84 LEU N N 84 125.218 125.899 -0.681 1
1 1037 . 14 1 1 A 85 85 TYR H H 85 9.058 8.972 0.086 1
1 1038 . 14 1 1 A 85 85 TYR HA H 85 4.508 4.416 0.092 1
1 1045 . 14 1 1 A 85 85 TYR C C 85 173.624 175.384 -1.760 1
1 1046 . 14 1 1 A 85 85 TYR CA C 85 60.034 58.649 1.385 1
1 1047 . 14 1 1 A 85 85 TYR CB C 85 36.073 38.174 -2.101 1
1 1052 . 14 1 1 A 85 85 TYR N N 85 131.339 126.344 4.995 1
1 1053 . 14 1 1 A 86 86 ARG H H 86 7.432 7.464 -0.032 1
1 1054 . 14 1 1 A 86 86 ARG HA H 86 4.682 4.924 -0.242 1
1 1062 . 14 1 1 A 86 86 ARG C C 86 171.917 174.429 -2.512 1
1 1063 . 14 1 1 A 86 86 ARG CA C 86 54.953 54.055 0.898 1
1 1064 . 14 1 1 A 86 86 ARG CB C 86 28.209 32.121 -3.912 1
1 1067 . 14 1 1 A 86 86 ARG N N 86 114.399 117.808 -3.409 1
1 1069 . 14 1 1 A 87 87 PRO HA H 87 4.303 4.576 -0.273 1
1 1076 . 14 1 1 A 87 87 PRO C C 87 175.771 176.624 -0.853 1
1 1077 . 14 1 1 A 87 87 PRO CA C 87 63.497 63.093 0.404 1
1 1078 . 14 1 1 A 87 87 PRO CB C 87 32.253 31.491 0.762 1
1 1081 . 14 1 1 A 88 88 LEU H H 88 8.095 8.178 -0.083 1
1 1082 . 14 1 1 A 88 88 LEU HA H 88 4.286 4.462 -0.176 1
1 1092 . 14 1 1 A 88 88 LEU C C 88 175.946 176.030 -0.084 1
1 1093 . 14 1 1 A 88 88 LEU CA C 88 53.675 55.506 -1.831 1
1 1094 . 14 1 1 A 88 88 LEU CB C 88 45.548 42.700 2.848 1
1 1098 . 14 1 1 A 88 88 LEU N N 88 125.942 123.910 2.032 1
1 1099 . 14 1 1 A 89 89 LEU H H 89 9.224 8.641 0.583 1
1 1100 . 14 1 1 A 89 89 LEU HA H 89 4.561 4.369 0.192 1
1 1110 . 14 1 1 A 89 89 LEU C C 89 179.295 178.202 1.093 1
1 1111 . 14 1 1 A 89 89 LEU CA C 89 55.212 55.197 0.015 1
1 1112 . 14 1 1 A 89 89 LEU CB C 89 41.460 41.903 -0.443 1
1 1116 . 14 1 1 A 89 89 LEU N N 89 128.295 128.708 -0.413 1
1 1117 . 14 1 1 A 90 90 VAL H H 90 7.665 8.431 -0.766 1
1 1118 . 14 1 1 A 90 90 VAL HA H 90 3.785 3.848 -0.063 1
1 1126 . 14 1 1 A 90 90 VAL C C 90 178.510 177.772 0.738 1
1 1127 . 14 1 1 A 90 90 VAL CA C 90 66.833 66.360 0.473 1
1 1128 . 14 1 1 A 90 90 VAL CB C 90 31.330 31.651 -0.321 1
1 1131 . 14 1 1 A 90 90 VAL N N 90 122.696 122.617 0.079 1
1 1132 . 14 1 1 A 91 91 SER H H 91 8.134 8.234 -0.100 1
1 1133 . 14 1 1 A 91 91 SER HA H 91 4.280 4.263 0.017 1
1 1136 . 14 1 1 A 91 91 SER C C 91 175.328 175.084 0.244 1
1 1137 . 14 1 1 A 91 91 SER CA C 91 59.822 60.953 -1.131 1
1 1138 . 14 1 1 A 91 91 SER CB C 91 62.512 63.070 -0.558 1
1 1139 . 14 1 1 A 91 91 SER N N 91 112.443 116.635 -4.192 1
1 1140 . 14 1 1 A 92 92 GLU H H 92 7.598 8.293 -0.695 1
1 1141 . 14 1 1 A 92 92 GLU HA H 92 4.221 4.475 -0.254 1
1 1146 . 14 1 1 A 92 92 GLU C C 92 175.722 176.658 -0.936 1
1 1147 . 14 1 1 A 92 92 GLU CA C 92 56.594 56.659 -0.065 1
1 1148 . 14 1 1 A 92 92 GLU CB C 92 29.511 30.218 -0.707 1
1 1150 . 14 1 1 A 92 92 GLU N N 92 120.359 119.958 0.401 1
1 1151 . 14 1 1 A 93 93 VAL H H 93 7.486 7.342 0.144 1
1 1152 . 14 1 1 A 93 93 VAL HA H 93 4.046 4.073 -0.027 1
1 1160 . 14 1 1 A 93 93 VAL C C 93 176.093 175.733 0.360 1
1 1161 . 14 1 1 A 93 93 VAL CA C 93 63.242 63.367 -0.125 1
1 1162 . 14 1 1 A 93 93 VAL CB C 93 32.306 31.087 1.219 1
1 1165 . 14 1 1 A 93 93 VAL N N 93 121.222 121.557 -0.335 1
1 1166 . 14 1 1 A 94 94 THR H H 94 9.003 8.816 0.187 1
1 1167 . 14 1 1 A 94 94 THR HA H 94 4.264 3.897 0.367 1
1 1172 . 14 1 1 A 94 94 THR C C 94 174.664 174.658 0.006 1
1 1173 . 14 1 1 A 94 94 THR CA C 94 64.438 66.012 -1.574 1
1 1174 . 14 1 1 A 94 94 THR CB C 94 69.317 68.788 0.529 1
1 1176 . 14 1 1 A 94 94 THR N N 94 124.794 123.386 1.408 1
1 1177 . 14 1 1 A 95 95 ARG H H 95 7.514 7.227 0.287 1
1 1178 . 14 1 1 A 95 95 ARG HA H 95 4.646 4.707 -0.061 1
1 1186 . 14 1 1 A 95 95 ARG C C 95 172.989 174.448 -1.459 1
1 1187 . 14 1 1 A 95 95 ARG CA C 95 55.872 54.399 1.473 1
1 1188 . 14 1 1 A 95 95 ARG CB C 95 33.789 33.363 0.426 1
1 1191 . 14 1 1 A 95 95 ARG N N 95 118.660 114.151 4.509 1
1 1193 . 14 1 1 A 96 96 GLU H H 96 8.545 8.664 -0.119 1
1 1194 . 14 1 1 A 96 96 GLU HA H 96 5.329 4.577 0.752 1
1 1199 . 14 1 1 A 96 96 GLU C C 96 174.480 175.232 -0.752 1
1 1200 . 14 1 1 A 96 96 GLU CA C 96 53.415 55.438 -2.023 1
1 1201 . 14 1 1 A 96 96 GLU CB C 96 33.592 30.338 3.254 1
1 1203 . 14 1 1 A 96 96 GLU N N 96 121.828 120.634 1.194 1
1 1204 . 14 1 1 A 97 97 ALA H H 97 8.276 8.726 -0.450 1
1 1205 . 14 1 1 A 97 97 ALA HA H 97 4.537 4.865 -0.328 1
1 1209 . 14 1 1 A 97 97 ALA C C 97 175.233 175.801 -0.568 1
1 1210 . 14 1 1 A 97 97 ALA CA C 97 51.368 50.307 1.061 1
1 1211 . 14 1 1 A 97 97 ALA CB C 97 22.101 20.557 1.544 1
1 1212 . 14 1 1 A 97 97 ALA N N 97 123.211 126.310 -3.099 1
1 1213 . 14 1 1 A 98 98 ASP H H 98 8.399 8.708 -0.309 1
1 1214 . 14 1 1 A 98 98 ASP HA H 98 4.850 4.755 0.095 1
1 1217 . 14 1 1 A 98 98 ASP C C 98 176.085 176.059 0.026 1
1 1218 . 14 1 1 A 98 98 ASP CA C 98 54.824 53.930 0.894 1
1 1219 . 14 1 1 A 98 98 ASP CB C 98 41.694 41.355 0.339 1
1 1220 . 14 1 1 A 98 98 ASP N N 98 122.093 123.811 -1.718 1
1 1221 . 14 1 1 A 99 99 LEU H H 99 7.854 9.039 -1.185 1
1 1222 . 14 1 1 A 99 99 LEU HA H 99 4.766 4.481 0.285 1
1 1232 . 14 1 1 A 99 99 LEU C C 99 176.250 176.409 -0.159 1
1 1233 . 14 1 1 A 99 99 LEU CA C 99 53.544 54.580 -1.036 1
1 1234 . 14 1 1 A 99 99 LEU CB C 99 44.229 41.165 3.064 1
1 1238 . 14 1 1 A 99 99 LEU N N 99 120.272 124.630 -4.358 1
1 1239 . 14 1 1 A 100 100 ASP H H 100 9.215 9.019 0.196 1
1 1240 . 14 1 1 A 100 100 ASP HA H 100 4.935 4.461 0.474 1
1 1243 . 14 1 1 A 100 100 ASP C C 100 174.956 176.539 -1.583 1
1 1244 . 14 1 1 A 100 100 ASP CA C 100 52.684 54.464 -1.780 1
1 1245 . 14 1 1 A 100 100 ASP CB C 100 43.362 40.735 2.627 1
1 1246 . 14 1 1 A 100 100 ASP N N 100 123.325 126.127 -2.802 1
1 1247 . 14 1 1 A 101 101 LEU H H 101 8.526 7.996 0.530 1
1 1248 . 14 1 1 A 101 101 LEU HA H 101 4.639 4.324 0.315 1
1 1258 . 14 1 1 A 101 101 LEU C C 101 178.204 174.419 3.785 1
1 1259 . 14 1 1 A 101 101 LEU CA C 101 53.490 57.114 -3.624 1
1 1260 . 14 1 1 A 101 101 LEU CB C 101 44.374 40.836 3.538 1
1 1264 . 14 1 1 A 101 101 LEU N N 101 118.539 119.498 -0.959 1
1 1265 . 14 1 1 A 102 102 ASP H H 102 8.029 8.378 -0.349 1
1 1266 . 14 1 1 A 102 102 ASP HA H 102 4.615 5.036 -0.421 1
1 1269 . 14 1 1 A 102 102 ASP C C 102 178.176 175.789 2.387 1
1 1270 . 14 1 1 A 102 102 ASP CA C 102 52.297 52.818 -0.521 1
1 1271 . 14 1 1 A 102 102 ASP CB C 102 41.108 43.901 -2.793 1
1 1272 . 14 1 1 A 102 102 ASP N N 102 121.008 119.996 1.012 1
1 1273 . 14 1 1 A 103 103 ALA H H 103 8.384 8.747 -0.363 1
1 1274 . 14 1 1 A 103 103 ALA HA H 103 4.099 4.083 0.016 1
1 1278 . 14 1 1 A 103 103 ALA C C 103 178.527 178.304 0.223 1
1 1279 . 14 1 1 A 103 103 ALA CA C 103 54.648 55.149 -0.501 1
1 1280 . 14 1 1 A 103 103 ALA CB C 103 18.604 18.376 0.228 1
1 1281 . 14 1 1 A 103 103 ALA N N 103 120.139 124.863 -4.724 1
1 1282 . 14 1 1 A 104 104 ASP H H 104 8.033 7.915 0.118 1
1 1283 . 14 1 1 A 104 104 ASP HA H 104 4.811 4.678 0.133 1
1 1286 . 14 1 1 A 104 104 ASP C C 104 176.113 176.768 -0.655 1
1 1287 . 14 1 1 A 104 104 ASP CA C 104 54.077 54.217 -0.140 1
1 1288 . 14 1 1 A 104 104 ASP CB C 104 41.899 41.523 0.376 1
1 1289 . 14 1 1 A 104 104 ASP N N 104 116.590 116.842 -0.252 1
1 1290 . 14 1 1 A 105 105 GLY H H 105 8.196 8.409 -0.213 1
1 1291 . 14 1 1 A 105 105 GLY HA2 H 105 4.293 3.989 0.304 1
1 1292 . 14 1 1 A 105 105 GLY HA3 H 105 3.657 3.989 -0.332 1
1 1293 . 14 1 1 A 105 105 GLY C C 105 173.635 174.031 -0.396 1
1 1294 . 14 1 1 A 105 105 GLY CA C 105 45.741 45.624 0.117 1
1 1295 . 14 1 1 A 105 105 GLY N N 105 107.882 108.842 -0.960 1
1 1296 . 14 1 1 A 106 106 VAL H H 106 8.886 7.594 1.292 1
1 1297 . 14 1 1 A 106 106 VAL HA H 106 4.082 4.251 -0.169 1
1 1305 . 14 1 1 A 106 106 VAL C C 106 175.529 174.913 0.616 1
1 1306 . 14 1 1 A 106 106 VAL CA C 106 61.360 59.899 1.461 1
1 1307 . 14 1 1 A 106 106 VAL CB C 106 32.373 32.213 0.160 1
1 1310 . 14 1 1 A 106 106 VAL N N 106 125.585 123.050 2.535 1
1 1311 . 14 1 1 A 107 107 PRO HA H 107 4.737 4.595 0.142 1
1 1318 . 14 1 1 A 107 107 PRO C C 107 176.029 176.952 -0.923 1
1 1319 . 14 1 1 A 107 107 PRO CA C 107 62.674 62.909 -0.235 1
1 1320 . 14 1 1 A 107 107 PRO CB C 107 31.789 31.572 0.217 1
1 1323 . 14 1 1 A 108 108 GLN H H 108 8.563 8.475 0.088 1
1 1324 . 14 1 1 A 108 108 GLN HA H 108 4.498 4.292 0.206 1
1 1331 . 14 1 1 A 108 108 GLN C C 108 176.218 176.012 0.206 1
1 1332 . 14 1 1 A 108 108 GLN CA C 108 54.901 55.788 -0.887 1
1 1333 . 14 1 1 A 108 108 GLN CB C 108 29.514 28.272 1.242 1
1 1336 . 14 1 1 A 108 108 GLN N N 108 122.641 122.123 0.518 1
1 1338 . 14 1 1 A 109 109 LEU H H 109 8.853 8.108 0.745 1
1 1339 . 14 1 1 A 109 109 LEU HA H 109 4.330 4.607 -0.277 1
1 1349 . 14 1 1 A 109 109 LEU C C 109 178.151 178.497 -0.346 1
1 1350 . 14 1 1 A 109 109 LEU CA C 109 56.522 55.014 1.508 1
1 1351 . 14 1 1 A 109 109 LEU CB C 109 41.883 42.492 -0.609 1
1 1355 . 14 1 1 A 109 109 LEU N N 109 125.974 125.738 0.236 1
1 1356 . 14 1 1 A 110 110 GLY H H 110 8.809 8.359 0.450 1
1 1357 . 14 1 1 A 110 110 GLY HA2 H 110 3.952 3.717 0.235 1
1 1358 . 14 1 1 A 110 110 GLY HA3 H 110 3.551 3.722 -0.171 1
1 1359 . 14 1 1 A 110 110 GLY C C 110 176.002 175.566 0.436 1
1 1360 . 14 1 1 A 110 110 GLY CA C 110 48.748 47.033 1.715 1
1 1361 . 14 1 1 A 110 110 GLY N N 110 109.442 106.905 2.537 1
1 1362 . 14 1 1 A 111 111 ASP H H 111 8.674 8.098 0.576 1
1 1363 . 14 1 1 A 111 111 ASP HA H 111 4.317 4.375 -0.058 1
1 1366 . 14 1 1 A 111 111 ASP C C 111 177.159 178.087 -0.928 1
1 1367 . 14 1 1 A 111 111 ASP CA C 111 56.239 56.786 -0.547 1
1 1368 . 14 1 1 A 111 111 ASP CB C 111 39.791 40.743 -0.952 1
1 1369 . 14 1 1 A 111 111 ASP N N 111 119.503 121.928 -2.425 1
1 1370 . 14 1 1 A 112 112 HIS H H 112 7.471 7.496 -0.025 1
1 1371 . 14 1 1 A 112 112 HIS HA H 112 4.481 4.433 0.048 1
1 1376 . 14 1 1 A 112 112 HIS C C 112 177.121 175.387 1.734 1
1 1377 . 14 1 1 A 112 112 HIS CA C 112 56.692 58.586 -1.894 1
1 1378 . 14 1 1 A 112 112 HIS CB C 112 31.648 31.183 0.465 1
1 1381 . 14 1 1 A 112 112 HIS N N 112 116.681 115.469 1.212 1
1 1382 . 14 1 1 A 113 113 LEU H H 113 7.526 8.012 -0.486 1
1 1383 . 14 1 1 A 113 113 LEU HA H 113 4.148 4.406 -0.258 1
1 1393 . 14 1 1 A 113 113 LEU C C 113 177.363 177.025 0.338 1
1 1394 . 14 1 1 A 113 113 LEU CA C 113 55.509 54.008 1.501 1
1 1395 . 14 1 1 A 113 113 LEU CB C 113 42.009 42.453 -0.444 1
1 1399 . 14 1 1 A 113 113 LEU N N 113 118.976 119.219 -0.243 1
1 1400 . 14 1 1 A 114 114 ALA H H 114 7.648 8.239 -0.591 1
1 1401 . 14 1 1 A 114 114 ALA HA H 114 4.227 4.449 -0.222 1
1 1405 . 14 1 1 A 114 114 ALA C C 114 177.692 177.358 0.334 1
1 1406 . 14 1 1 A 114 114 ALA CA C 114 52.828 51.824 1.004 1
1 1407 . 14 1 1 A 114 114 ALA CB C 114 18.497 19.555 -1.058 1
1 1408 . 14 1 1 A 114 114 ALA N N 114 121.893 122.889 -0.996 1
1 1409 . 14 1 1 A 115 115 LEU H H 115 7.764 7.314 0.450 1
1 1410 . 14 1 1 A 115 115 LEU HA H 115 4.146 4.358 -0.212 1
1 1420 . 14 1 1 A 115 115 LEU C C 115 177.819 177.147 0.672 1
1 1421 . 14 1 1 A 115 115 LEU CA C 115 55.771 54.788 0.983 1
1 1422 . 14 1 1 A 115 115 LEU CB C 115 42.000 40.782 1.218 1
1 1426 . 14 1 1 A 115 115 LEU N N 115 119.576 120.959 -1.383 1
1 12 . 15 1 1 A 2 2 THR HA H 2 3.833 4.293 -0.460 1
1 17 . 15 1 1 A 2 2 THR C C 2 170.665 173.326 -2.661 1
1 18 . 15 1 1 A 2 2 THR CA C 2 62.154 63.296 -1.142 1
1 19 . 15 1 1 A 2 2 THR CB C 2 69.580 69.307 0.273 1
1 21 . 15 1 1 A 3 3 LEU H H 3 9.068 8.954 0.114 1
1 22 . 15 1 1 A 3 3 LEU HA H 3 4.887 5.199 -0.312 1
1 32 . 15 1 1 A 3 3 LEU C C 3 175.859 175.418 0.441 1
1 33 . 15 1 1 A 3 3 LEU CA C 3 54.426 53.508 0.918 1
1 34 . 15 1 1 A 3 3 LEU CB C 3 43.222 46.012 -2.790 1
1 38 . 15 1 1 A 3 3 LEU N N 3 129.030 129.775 -0.745 1
1 39 . 15 1 1 A 4 4 ILE H H 4 8.897 9.047 -0.150 1
1 40 . 15 1 1 A 4 4 ILE HA H 4 4.753 5.157 -0.404 1
1 50 . 15 1 1 A 4 4 ILE C C 4 174.211 173.833 0.378 1
1 51 . 15 1 1 A 4 4 ILE CA C 4 59.998 59.228 0.770 1
1 52 . 15 1 1 A 4 4 ILE CB C 4 41.129 40.501 0.628 1
1 56 . 15 1 1 A 4 4 ILE N N 4 115.702 121.252 -5.550 1
1 57 . 15 1 1 A 5 5 TYR H H 5 9.050 9.278 -0.228 1
1 58 . 15 1 1 A 5 5 TYR HA H 5 5.770 5.611 0.159 1
1 65 . 15 1 1 A 5 5 TYR C C 5 175.987 174.717 1.270 1
1 66 . 15 1 1 A 5 5 TYR CA C 5 57.923 56.188 1.735 1
1 67 . 15 1 1 A 5 5 TYR CB C 5 42.963 42.929 0.034 1
1 72 . 15 1 1 A 5 5 TYR N N 5 114.414 122.151 -7.737 1
1 73 . 15 1 1 A 6 6 LYS H H 6 8.858 8.299 0.559 1
1 74 . 15 1 1 A 6 6 LYS HA H 6 4.813 4.735 0.078 1
1 83 . 15 1 1 A 6 6 LYS C C 6 172.801 174.291 -1.490 1
1 84 . 15 1 1 A 6 6 LYS CA C 6 52.969 55.354 -2.385 1
1 85 . 15 1 1 A 6 6 LYS CB C 6 37.109 36.325 0.784 1
1 89 . 15 1 1 A 6 6 LYS N N 6 121.597 122.188 -0.591 1
1 90 . 15 1 1 A 7 7 ILE H H 7 8.277 8.720 -0.443 1
1 91 . 15 1 1 A 7 7 ILE HA H 7 4.702 5.008 -0.306 1
1 101 . 15 1 1 A 7 7 ILE C C 7 173.742 174.795 -1.053 1
1 102 . 15 1 1 A 7 7 ILE CA C 7 60.340 59.901 0.439 1
1 103 . 15 1 1 A 7 7 ILE CB C 7 38.941 38.940 0.001 1
1 107 . 15 1 1 A 7 7 ILE N N 7 128.212 128.330 -0.118 1
1 108 . 15 1 1 A 8 8 LEU H H 8 8.627 8.543 0.084 1
1 109 . 15 1 1 A 8 8 LEU HA H 8 4.757 5.028 -0.271 1
1 119 . 15 1 1 A 8 8 LEU C C 8 173.661 175.628 -1.967 1
1 120 . 15 1 1 A 8 8 LEU CA C 8 54.530 53.478 1.052 1
1 121 . 15 1 1 A 8 8 LEU CB C 8 43.617 45.439 -1.822 1
1 125 . 15 1 1 A 8 8 LEU N N 8 126.590 124.094 2.496 1
1 126 . 15 1 1 A 9 9 SER H H 9 8.546 8.776 -0.230 1
1 127 . 15 1 1 A 9 9 SER HA H 9 4.765 4.913 -0.148 1
1 130 . 15 1 1 A 9 9 SER C C 9 175.160 175.362 -0.202 1
1 131 . 15 1 1 A 9 9 SER CA C 9 58.520 58.878 -0.358 1
1 132 . 15 1 1 A 9 9 SER CB C 9 65.227 63.531 1.696 1
1 133 . 15 1 1 A 9 9 SER N N 9 115.543 116.801 -1.258 1
1 134 . 15 1 1 A 10 10 ARG H H 10 9.080 9.086 -0.006 1
1 135 . 15 1 1 A 10 10 ARG HA H 10 4.037 4.010 0.027 1
1 143 . 15 1 1 A 10 10 ARG C C 10 177.847 178.072 -0.225 1
1 144 . 15 1 1 A 10 10 ARG CA C 10 59.210 60.217 -1.007 1
1 145 . 15 1 1 A 10 10 ARG CB C 10 28.776 29.799 -1.023 1
1 148 . 15 1 1 A 10 10 ARG N N 10 123.688 125.606 -1.918 1
1 150 . 15 1 1 A 11 11 ALA H H 11 8.753 8.318 0.435 1
1 151 . 15 1 1 A 11 11 ALA HA H 11 4.248 4.100 0.148 1
1 155 . 15 1 1 A 11 11 ALA C C 11 181.848 179.758 2.090 1
1 156 . 15 1 1 A 11 11 ALA CA C 11 55.483 54.767 0.716 1
1 157 . 15 1 1 A 11 11 ALA CB C 11 18.209 18.470 -0.261 1
1 158 . 15 1 1 A 11 11 ALA N N 11 119.698 121.054 -1.356 1
1 159 . 15 1 1 A 12 12 GLU H H 12 7.957 8.061 -0.104 1
1 160 . 15 1 1 A 12 12 GLU HA H 12 4.183 4.121 0.062 1
1 165 . 15 1 1 A 12 12 GLU C C 12 179.576 178.814 0.762 1
1 166 . 15 1 1 A 12 12 GLU CA C 12 59.103 59.409 -0.306 1
1 167 . 15 1 1 A 12 12 GLU CB C 12 31.077 29.592 1.485 1
1 169 . 15 1 1 A 12 12 GLU N N 12 118.210 118.737 -0.527 1
1 170 . 15 1 1 A 13 13 TRP H H 13 8.585 8.290 0.295 1
1 171 . 15 1 1 A 13 13 TRP HA H 13 4.937 3.992 0.945 1
1 180 . 15 1 1 A 13 13 TRP C C 13 176.827 177.936 -1.109 1
1 181 . 15 1 1 A 13 13 TRP CA C 13 57.845 60.867 -3.022 1
1 182 . 15 1 1 A 13 13 TRP CB C 13 31.010 29.443 1.567 1
1 188 . 15 1 1 A 13 13 TRP N N 13 123.646 121.972 1.674 1
1 190 . 15 1 1 A 14 14 ASP H H 14 9.260 8.646 0.614 1
1 191 . 15 1 1 A 14 14 ASP HA H 14 4.048 4.062 -0.014 1
1 194 . 15 1 1 A 14 14 ASP C C 14 180.120 177.968 2.152 1
1 195 . 15 1 1 A 14 14 ASP CA C 14 57.767 57.510 0.257 1
1 196 . 15 1 1 A 14 14 ASP CB C 14 39.467 41.454 -1.987 1
1 197 . 15 1 1 A 14 14 ASP N N 14 120.253 119.267 0.986 1
1 198 . 15 1 1 A 15 15 ALA H H 15 7.599 7.781 -0.182 1
1 199 . 15 1 1 A 15 15 ALA HA H 15 4.163 3.970 0.193 1
1 203 . 15 1 1 A 15 15 ALA C C 15 180.115 179.632 0.483 1
1 204 . 15 1 1 A 15 15 ALA CA C 15 55.016 55.045 -0.029 1
1 205 . 15 1 1 A 15 15 ALA CB C 15 17.871 18.048 -0.177 1
1 206 . 15 1 1 A 15 15 ALA N N 15 122.164 121.123 1.041 1
1 207 . 15 1 1 A 16 16 ALA H H 16 7.944 7.892 0.052 1
1 208 . 15 1 1 A 16 16 ALA HA H 16 4.334 3.965 0.369 1
1 212 . 15 1 1 A 16 16 ALA C C 16 180.101 179.731 0.370 1
1 213 . 15 1 1 A 16 16 ALA CA C 16 54.659 55.235 -0.576 1
1 214 . 15 1 1 A 16 16 ALA CB C 16 19.107 18.116 0.991 1
1 215 . 15 1 1 A 16 16 ALA N N 16 122.526 120.445 2.081 1
1 216 . 15 1 1 A 17 17 LYS H H 17 8.317 7.818 0.499 1
1 217 . 15 1 1 A 17 17 LYS HA H 17 3.462 3.699 -0.237 1
1 226 . 15 1 1 A 17 17 LYS C C 17 179.126 179.044 0.082 1
1 227 . 15 1 1 A 17 17 LYS CA C 17 60.077 59.248 0.829 1
1 228 . 15 1 1 A 17 17 LYS CB C 17 31.431 31.778 -0.347 1
1 232 . 15 1 1 A 17 17 LYS N N 17 117.572 116.029 1.543 1
1 233 . 15 1 1 A 18 18 ALA H H 18 7.296 8.046 -0.750 1
1 234 . 15 1 1 A 18 18 ALA HA H 18 4.100 3.957 0.143 1
1 238 . 15 1 1 A 18 18 ALA C C 18 178.940 179.740 -0.800 1
1 239 . 15 1 1 A 18 18 ALA CA C 18 54.513 54.907 -0.394 1
1 240 . 15 1 1 A 18 18 ALA CB C 18 18.132 18.402 -0.270 1
1 241 . 15 1 1 A 18 18 ALA N N 18 119.644 122.019 -2.375 1
1 242 . 15 1 1 A 19 19 GLN H H 19 7.443 7.743 -0.300 1
1 243 . 15 1 1 A 19 19 GLN HA H 19 4.535 4.201 0.334 1
1 250 . 15 1 1 A 19 19 GLN C C 19 176.607 176.748 -0.141 1
1 251 . 15 1 1 A 19 19 GLN CA C 19 55.755 56.065 -0.310 1
1 252 . 15 1 1 A 19 19 GLN CB C 19 30.075 28.826 1.249 1
1 255 . 15 1 1 A 19 19 GLN N N 19 113.538 115.151 -1.613 1
1 257 . 15 1 1 A 20 20 GLY H H 20 8.277 8.958 -0.681 1
1 258 . 15 1 1 A 20 20 GLY HA2 H 20 4.450 3.784 0.666 1
1 259 . 15 1 1 A 20 20 GLY HA3 H 20 3.627 3.817 -0.190 1
1 260 . 15 1 1 A 20 20 GLY C C 20 174.006 173.490 0.516 1
1 261 . 15 1 1 A 20 20 GLY CA C 20 45.567 45.584 -0.017 1
1 262 . 15 1 1 A 20 20 GLY N N 20 108.233 109.532 -1.299 1
1 263 . 15 1 1 A 21 21 ARG H H 21 7.786 7.698 0.088 1
1 264 . 15 1 1 A 21 21 ARG HA H 21 5.123 5.010 0.113 1
1 272 . 15 1 1 A 21 21 ARG C C 21 171.553 173.893 -2.340 1
1 273 . 15 1 1 A 21 21 ARG CA C 21 54.882 55.085 -0.203 1
1 274 . 15 1 1 A 21 21 ARG CB C 21 32.114 33.789 -1.675 1
1 277 . 15 1 1 A 21 21 ARG N N 21 116.837 120.546 -3.709 1
1 279 . 15 1 1 A 22 22 PHE H H 22 9.821 9.257 0.564 1
1 280 . 15 1 1 A 22 22 PHE HA H 22 5.185 5.122 0.063 1
1 285 . 15 1 1 A 22 22 PHE C C 22 173.825 176.021 -2.196 1
1 286 . 15 1 1 A 22 22 PHE CA C 22 54.913 56.691 -1.778 1
1 287 . 15 1 1 A 22 22 PHE CB C 22 41.568 42.562 -0.994 1
1 290 . 15 1 1 A 22 22 PHE N N 22 121.680 127.066 -5.386 1
1 291 . 15 1 1 A 23 23 GLU H H 23 9.053 8.443 0.610 1
1 292 . 15 1 1 A 23 23 GLU HA H 23 3.893 4.195 -0.302 1
1 297 . 15 1 1 A 23 23 GLU C C 23 174.856 175.826 -0.970 1
1 298 . 15 1 1 A 23 23 GLU CA C 23 56.781 57.239 -0.458 1
1 299 . 15 1 1 A 23 23 GLU CB C 23 29.990 29.629 0.361 1
1 301 . 15 1 1 A 23 23 GLU N N 23 125.059 123.184 1.875 1
1 302 . 15 1 1 A 24 24 GLY HA2 H 24 4.212 3.807 0.405 1
1 303 . 15 1 1 A 24 24 GLY HA3 H 24 3.112 3.936 -0.824 1
1 304 . 15 1 1 A 24 24 GLY C C 24 173.311 171.498 1.813 1
1 305 . 15 1 1 A 24 24 GLY CA C 24 45.104 45.599 -0.495 1
1 306 . 15 1 1 A 25 25 SER H H 25 9.877 8.322 1.555 1
1 307 . 15 1 1 A 25 25 SER HA H 25 4.884 4.647 0.237 1
1 310 . 15 1 1 A 25 25 SER C C 25 173.788 173.588 0.200 1
1 311 . 15 1 1 A 25 25 SER CA C 25 57.549 56.379 1.170 1
1 312 . 15 1 1 A 25 25 SER CB C 25 65.383 64.822 0.561 1
1 313 . 15 1 1 A 25 25 SER N N 25 121.073 116.032 5.041 1
1 314 . 15 1 1 A 26 26 ALA H H 26 9.097 8.700 0.397 1
1 315 . 15 1 1 A 26 26 ALA HA H 26 3.964 3.984 -0.020 1
1 319 . 15 1 1 A 26 26 ALA C C 26 181.102 179.444 1.658 1
1 320 . 15 1 1 A 26 26 ALA CA C 26 56.670 55.499 1.171 1
1 321 . 15 1 1 A 26 26 ALA CB C 26 17.927 18.585 -0.658 1
1 322 . 15 1 1 A 26 26 ALA N N 26 123.398 125.397 -1.999 1
1 323 . 15 1 1 A 27 27 VAL H H 27 7.928 8.065 -0.137 1
1 324 . 15 1 1 A 27 27 VAL HA H 27 3.593 3.729 -0.136 1
1 332 . 15 1 1 A 27 27 VAL C C 27 176.628 177.413 -0.785 1
1 333 . 15 1 1 A 27 27 VAL CA C 27 65.257 65.219 0.038 1
1 334 . 15 1 1 A 27 27 VAL CB C 27 31.688 31.108 0.580 1
1 337 . 15 1 1 A 27 27 VAL N N 27 117.697 117.004 0.693 1
1 338 . 15 1 1 A 28 28 ASP H H 28 6.927 8.117 -1.190 1
1 339 . 15 1 1 A 28 28 ASP HA H 28 4.512 4.202 0.310 1
1 342 . 15 1 1 A 28 28 ASP C C 28 178.402 178.621 -0.219 1
1 343 . 15 1 1 A 28 28 ASP CA C 28 56.586 57.503 -0.917 1
1 344 . 15 1 1 A 28 28 ASP CB C 28 41.317 41.418 -0.101 1
1 345 . 15 1 1 A 28 28 ASP N N 28 121.516 121.439 0.077 1
1 346 . 15 1 1 A 29 29 LEU H H 29 8.309 8.254 0.055 1
1 347 . 15 1 1 A 29 29 LEU HA H 29 3.764 4.020 -0.256 1
1 357 . 15 1 1 A 29 29 LEU C C 29 180.093 179.394 0.699 1
1 358 . 15 1 1 A 29 29 LEU CA C 29 57.091 57.199 -0.108 1
1 359 . 15 1 1 A 29 29 LEU CB C 29 41.418 41.233 0.185 1
1 363 . 15 1 1 A 29 29 LEU N N 29 118.648 119.471 -0.823 1
1 364 . 15 1 1 A 30 30 ALA H H 30 7.458 7.886 -0.428 1
1 365 . 15 1 1 A 30 30 ALA HA H 30 4.000 3.985 0.015 1
1 369 . 15 1 1 A 30 30 ALA C C 30 179.371 179.059 0.312 1
1 370 . 15 1 1 A 30 30 ALA CA C 30 54.526 55.631 -1.105 1
1 371 . 15 1 1 A 30 30 ALA CB C 30 18.102 18.238 -0.136 1
1 372 . 15 1 1 A 30 30 ALA N N 30 120.814 122.339 -1.525 1
1 373 . 15 1 1 A 31 31 ASP H H 31 7.682 7.544 0.138 1
1 374 . 15 1 1 A 31 31 ASP HA H 31 4.410 4.473 -0.063 1
1 377 . 15 1 1 A 31 31 ASP C C 31 176.610 176.186 0.424 1
1 378 . 15 1 1 A 31 31 ASP CA C 31 55.271 54.336 0.935 1
1 379 . 15 1 1 A 31 31 ASP CB C 31 40.083 41.228 -1.145 1
1 380 . 15 1 1 A 31 31 ASP N N 31 117.191 113.032 4.159 1
1 381 . 15 1 1 A 32 32 GLY H H 32 7.909 8.098 -0.189 1
1 382 . 15 1 1 A 32 32 GLY HA2 H 32 4.090 3.962 0.128 1
1 383 . 15 1 1 A 32 32 GLY HA3 H 32 3.597 4.033 -0.436 1
1 384 . 15 1 1 A 32 32 GLY C C 32 173.168 173.476 -0.308 1
1 385 . 15 1 1 A 32 32 GLY CA C 32 45.112 45.053 0.059 1
1 386 . 15 1 1 A 32 32 GLY N N 32 106.983 108.772 -1.789 1
1 387 . 15 1 1 A 33 33 PHE H H 33 7.233 7.025 0.208 1
1 388 . 15 1 1 A 33 33 PHE HA H 33 4.212 4.865 -0.653 1
1 396 . 15 1 1 A 33 33 PHE C C 33 171.389 174.118 -2.729 1
1 397 . 15 1 1 A 33 33 PHE CA C 33 55.383 55.666 -0.283 1
1 398 . 15 1 1 A 33 33 PHE CB C 33 37.177 41.714 -4.537 1
1 404 . 15 1 1 A 33 33 PHE N N 33 115.364 114.602 0.762 1
1 405 . 15 1 1 A 34 34 ILE H H 34 8.637 8.184 0.453 1
1 406 . 15 1 1 A 34 34 ILE HA H 34 3.817 4.167 -0.350 1
1 416 . 15 1 1 A 34 34 ILE C C 34 177.018 175.294 1.724 1
1 417 . 15 1 1 A 34 34 ILE CA C 34 60.724 61.902 -1.178 1
1 418 . 15 1 1 A 34 34 ILE CB C 34 39.266 36.514 2.752 1
1 422 . 15 1 1 A 34 34 ILE N N 34 114.086 122.451 -8.365 1
1 423 . 15 1 1 A 35 35 HIS H H 35 9.203 7.840 1.363 1
1 424 . 15 1 1 A 35 35 HIS HA H 35 4.448 5.206 -0.758 1
1 428 . 15 1 1 A 35 35 HIS C C 35 175.740 175.002 0.738 1
1 429 . 15 1 1 A 35 35 HIS CA C 35 57.757 54.514 3.243 1
1 430 . 15 1 1 A 35 35 HIS CB C 35 29.758 30.897 -1.139 1
1 432 . 15 1 1 A 35 35 HIS N N 35 127.988 124.392 3.596 1
1 433 . 15 1 1 A 36 36 LEU H H 36 8.454 9.057 -0.603 1
1 434 . 15 1 1 A 36 36 LEU HA H 36 5.190 4.697 0.493 1
1 444 . 15 1 1 A 36 36 LEU C C 36 174.813 175.623 -0.810 1
1 445 . 15 1 1 A 36 36 LEU CA C 36 56.019 53.889 2.130 1
1 446 . 15 1 1 A 36 36 LEU CB C 36 44.541 42.324 2.217 1
1 450 . 15 1 1 A 36 36 LEU N N 36 126.075 126.447 -0.372 1
1 451 . 15 1 1 A 37 37 SER H H 37 9.128 8.722 0.406 1
1 452 . 15 1 1 A 37 37 SER HA H 37 5.277 5.351 -0.074 1
1 455 . 15 1 1 A 37 37 SER C C 37 174.433 173.338 1.095 1
1 456 . 15 1 1 A 37 37 SER CA C 37 57.990 56.939 1.051 1
1 457 . 15 1 1 A 37 37 SER CB C 37 66.778 66.299 0.479 1
1 458 . 15 1 1 A 37 37 SER N N 37 112.795 112.285 0.510 1
1 459 . 15 1 1 A 38 38 ALA H H 38 9.665 9.224 0.441 1
1 460 . 15 1 1 A 38 38 ALA HA H 38 4.973 4.883 0.090 1
1 464 . 15 1 1 A 38 38 ALA C C 38 179.640 178.656 0.984 1
1 465 . 15 1 1 A 38 38 ALA CA C 38 52.303 51.804 0.499 1
1 466 . 15 1 1 A 38 38 ALA CB C 38 19.350 20.049 -0.699 1
1 467 . 15 1 1 A 38 38 ALA N N 38 127.103 124.664 2.439 1
1 468 . 15 1 1 A 39 39 GLY H H 39 10.159 8.910 1.249 1
1 469 . 15 1 1 A 39 39 GLY HA2 H 39 4.249 3.373 0.876 1
1 470 . 15 1 1 A 39 39 GLY HA3 H 39 3.720 3.688 0.032 1
1 471 . 15 1 1 A 39 39 GLY C C 39 176.229 175.543 0.686 1
1 472 . 15 1 1 A 39 39 GLY CA C 39 49.163 47.179 1.984 1
1 473 . 15 1 1 A 39 39 GLY N N 39 112.007 106.485 5.522 1
1 474 . 15 1 1 A 40 40 GLU H H 40 9.367 8.040 1.327 1
1 475 . 15 1 1 A 40 40 GLU HA H 40 4.234 3.989 0.245 1
1 480 . 15 1 1 A 40 40 GLU C C 40 176.417 179.102 -2.685 1
1 481 . 15 1 1 A 40 40 GLU CA C 40 58.622 59.395 -0.773 1
1 482 . 15 1 1 A 40 40 GLU CB C 40 28.796 29.415 -0.619 1
1 484 . 15 1 1 A 40 40 GLU N N 40 117.243 121.165 -3.922 1
1 485 . 15 1 1 A 41 41 GLN H H 41 7.503 8.343 -0.840 1
1 486 . 15 1 1 A 41 41 GLN HA H 41 4.752 4.409 0.343 1
1 493 . 15 1 1 A 41 41 GLN C C 41 177.730 179.111 -1.381 1
1 494 . 15 1 1 A 41 41 GLN CA C 41 55.626 58.705 -3.079 1
1 495 . 15 1 1 A 41 41 GLN CB C 41 30.653 28.793 1.860 1
1 498 . 15 1 1 A 41 41 GLN N N 41 115.837 118.945 -3.108 1
1 500 . 15 1 1 A 42 42 ALA H H 42 7.519 8.561 -1.042 1
1 501 . 15 1 1 A 42 42 ALA HA H 42 3.927 4.138 -0.211 1
1 505 . 15 1 1 A 42 42 ALA C C 42 177.826 179.283 -1.457 1
1 506 . 15 1 1 A 42 42 ALA CA C 42 56.706 55.113 1.593 1
1 507 . 15 1 1 A 42 42 ALA CB C 42 18.247 18.319 -0.072 1
1 508 . 15 1 1 A 42 42 ALA N N 42 123.105 122.767 0.338 1
1 509 . 15 1 1 A 43 43 GLN H H 43 9.203 7.789 1.414 1
1 510 . 15 1 1 A 43 43 GLN HA H 43 3.942 4.012 -0.070 1
1 517 . 15 1 1 A 43 43 GLN C C 43 177.913 178.247 -0.334 1
1 518 . 15 1 1 A 43 43 GLN CA C 43 58.678 59.247 -0.569 1
1 519 . 15 1 1 A 43 43 GLN CB C 43 28.815 28.362 0.453 1
1 522 . 15 1 1 A 43 43 GLN N N 43 118.650 117.801 0.849 1
1 524 . 15 1 1 A 44 44 GLU H H 44 8.611 8.266 0.345 1
1 525 . 15 1 1 A 44 44 GLU HA H 44 4.207 4.095 0.112 1
1 530 . 15 1 1 A 44 44 GLU C C 44 179.090 179.662 -0.572 1
1 531 . 15 1 1 A 44 44 GLU CA C 44 59.246 59.289 -0.043 1
1 532 . 15 1 1 A 44 44 GLU CB C 44 28.850 29.487 -0.637 1
1 534 . 15 1 1 A 44 44 GLU N N 44 122.042 119.714 2.328 1
1 535 . 15 1 1 A 45 45 THR H H 45 8.292 8.344 -0.052 1
1 536 . 15 1 1 A 45 45 THR HA H 45 4.123 4.167 -0.044 1
1 541 . 15 1 1 A 45 45 THR C C 45 176.228 176.521 -0.293 1
1 542 . 15 1 1 A 45 45 THR CA C 45 66.902 66.330 0.572 1
1 543 . 15 1 1 A 45 45 THR CB C 45 68.949 68.528 0.421 1
1 545 . 15 1 1 A 45 45 THR N N 45 117.583 117.154 0.429 1
1 546 . 15 1 1 A 46 46 ALA H H 46 8.275 8.785 -0.510 1
1 547 . 15 1 1 A 46 46 ALA HA H 46 4.255 4.497 -0.242 1
1 551 . 15 1 1 A 46 46 ALA C C 46 178.630 180.218 -1.588 1
1 552 . 15 1 1 A 46 46 ALA CA C 46 55.406 55.667 -0.261 1
1 553 . 15 1 1 A 46 46 ALA CB C 46 18.482 18.530 -0.048 1
1 554 . 15 1 1 A 46 46 ALA N N 46 123.184 123.886 -0.702 1
1 555 . 15 1 1 A 47 47 ALA H H 47 8.066 8.443 -0.377 1
1 556 . 15 1 1 A 47 47 ALA HA H 47 3.953 4.143 -0.190 1
1 560 . 15 1 1 A 47 47 ALA C C 47 178.552 179.253 -0.701 1
1 561 . 15 1 1 A 47 47 ALA CA C 47 55.030 54.345 0.685 1
1 562 . 15 1 1 A 47 47 ALA CB C 47 18.899 18.365 0.534 1
1 563 . 15 1 1 A 47 47 ALA N N 47 117.129 120.126 -2.997 1
1 564 . 15 1 1 A 48 48 LYS H H 48 8.089 7.572 0.517 1
1 565 . 15 1 1 A 48 48 LYS HA H 48 3.936 4.217 -0.281 1
1 574 . 15 1 1 A 48 48 LYS C C 48 179.130 178.357 0.773 1
1 575 . 15 1 1 A 48 48 LYS CA C 48 58.560 57.958 0.602 1
1 576 . 15 1 1 A 48 48 LYS CB C 48 33.122 33.268 -0.146 1
1 580 . 15 1 1 A 48 48 LYS N N 48 115.322 117.927 -2.605 1
1 581 . 15 1 1 A 49 49 TRP H H 49 7.978 8.312 -0.334 1
1 582 . 15 1 1 A 49 49 TRP HA H 49 4.807 4.421 0.386 1
1 591 . 15 1 1 A 49 49 TRP C C 49 176.923 176.947 -0.024 1
1 592 . 15 1 1 A 49 49 TRP CA C 49 57.157 59.261 -2.104 1
1 593 . 15 1 1 A 49 49 TRP CB C 49 31.461 30.341 1.120 1
1 599 . 15 1 1 A 49 49 TRP N N 49 114.492 118.495 -4.003 1
1 601 . 15 1 1 A 50 50 PHE H H 50 7.740 7.644 0.096 1
1 602 . 15 1 1 A 50 50 PHE HA H 50 4.925 4.950 -0.025 1
1 608 . 15 1 1 A 50 50 PHE C C 50 174.160 176.074 -1.914 1
1 609 . 15 1 1 A 50 50 PHE CA C 50 57.772 55.988 1.784 1
1 610 . 15 1 1 A 50 50 PHE CB C 50 39.610 37.061 2.549 1
1 614 . 15 1 1 A 50 50 PHE N N 50 116.540 116.022 0.518 1
1 615 . 15 1 1 A 51 51 ARG H H 51 7.389 7.557 -0.168 1
1 616 . 15 1 1 A 51 51 ARG HA H 51 4.198 4.075 0.123 1
1 624 . 15 1 1 A 51 51 ARG C C 51 179.130 177.117 2.013 1
1 625 . 15 1 1 A 51 51 ARG CA C 51 58.224 59.396 -1.172 1
1 626 . 15 1 1 A 51 51 ARG CB C 51 30.032 30.268 -0.236 1
1 629 . 15 1 1 A 51 51 ARG N N 51 119.136 121.885 -2.749 1
1 631 . 15 1 1 A 52 52 GLY H H 52 10.264 7.417 2.847 1
1 632 . 15 1 1 A 52 52 GLY HA2 H 52 4.180 4.181 -0.001 1
1 633 . 15 1 1 A 52 52 GLY HA3 H 52 3.745 4.198 -0.453 1
1 634 . 15 1 1 A 52 52 GLY C C 52 173.980 174.397 -0.417 1
1 635 . 15 1 1 A 52 52 GLY CA C 52 45.517 45.367 0.150 1
1 636 . 15 1 1 A 52 52 GLY N N 52 114.192 106.607 7.585 1
1 637 . 15 1 1 A 53 53 GLN H H 53 7.597 7.945 -0.348 1
1 638 . 15 1 1 A 53 53 GLN HA H 53 4.437 4.428 0.009 1
1 645 . 15 1 1 A 53 53 GLN C C 53 172.934 175.866 -2.932 1
1 646 . 15 1 1 A 53 53 GLN CA C 53 56.280 56.208 0.072 1
1 647 . 15 1 1 A 53 53 GLN CB C 53 29.123 29.587 -0.464 1
1 650 . 15 1 1 A 53 53 GLN N N 53 120.438 119.329 1.109 1
1 652 . 15 1 1 A 54 54 ALA H H 54 8.190 8.619 -0.429 1
1 653 . 15 1 1 A 54 54 ALA HA H 54 4.344 4.379 -0.035 1
1 657 . 15 1 1 A 54 54 ALA C C 54 177.278 177.408 -0.130 1
1 658 . 15 1 1 A 54 54 ALA CA C 54 51.377 51.742 -0.365 1
1 659 . 15 1 1 A 54 54 ALA CB C 54 20.525 17.384 3.141 1
1 660 . 15 1 1 A 54 54 ALA N N 54 124.528 128.476 -3.948 1
1 661 . 15 1 1 A 55 55 ASN H H 55 8.903 7.960 0.943 1
1 662 . 15 1 1 A 55 55 ASN HA H 55 4.598 5.007 -0.409 1
1 667 . 15 1 1 A 55 55 ASN C C 55 174.075 174.908 -0.833 1
1 668 . 15 1 1 A 55 55 ASN CA C 55 53.986 52.495 1.491 1
1 669 . 15 1 1 A 55 55 ASN CB C 55 37.654 39.066 -1.412 1
1 671 . 15 1 1 A 55 55 ASN N N 55 113.776 115.901 -2.125 1
1 673 . 15 1 1 A 56 56 LEU H H 56 8.543 7.609 0.934 1
1 674 . 15 1 1 A 56 56 LEU HA H 56 4.677 4.654 0.023 1
1 684 . 15 1 1 A 56 56 LEU C C 56 176.806 176.083 0.723 1
1 685 . 15 1 1 A 56 56 LEU CA C 56 54.383 53.430 0.953 1
1 686 . 15 1 1 A 56 56 LEU CB C 56 45.328 44.550 0.778 1
1 690 . 15 1 1 A 56 56 LEU N N 56 117.411 121.517 -4.106 1
1 691 . 15 1 1 A 57 57 VAL H H 57 9.207 9.244 -0.037 1
1 692 . 15 1 1 A 57 57 VAL HA H 57 4.633 4.623 0.010 1
1 700 . 15 1 1 A 57 57 VAL C C 57 172.465 174.108 -1.643 1
1 701 . 15 1 1 A 57 57 VAL CA C 57 59.970 60.848 -0.878 1
1 702 . 15 1 1 A 57 57 VAL CB C 57 35.376 34.093 1.283 1
1 705 . 15 1 1 A 57 57 VAL N N 57 121.448 123.183 -1.735 1
1 706 . 15 1 1 A 58 58 LEU H H 58 8.855 9.090 -0.235 1
1 707 . 15 1 1 A 58 58 LEU HA H 58 4.763 4.662 0.101 1
1 717 . 15 1 1 A 58 58 LEU C C 58 175.349 174.694 0.655 1
1 718 . 15 1 1 A 58 58 LEU CA C 58 52.286 53.846 -1.560 1
1 719 . 15 1 1 A 58 58 LEU CB C 58 46.390 43.507 2.883 1
1 723 . 15 1 1 A 58 58 LEU N N 58 124.476 129.876 -5.400 1
1 724 . 15 1 1 A 59 59 LEU H H 59 9.265 8.716 0.549 1
1 725 . 15 1 1 A 59 59 LEU HA H 59 4.714 4.288 0.426 1
1 735 . 15 1 1 A 59 59 LEU C C 59 175.262 175.604 -0.342 1
1 736 . 15 1 1 A 59 59 LEU CA C 59 52.753 54.538 -1.785 1
1 737 . 15 1 1 A 59 59 LEU CB C 59 42.431 40.881 1.550 1
1 741 . 15 1 1 A 59 59 LEU N N 59 125.973 128.237 -2.264 1
1 742 . 15 1 1 A 60 60 ALA H H 60 8.331 8.783 -0.452 1
1 743 . 15 1 1 A 60 60 ALA HA H 60 4.739 4.675 0.064 1
1 747 . 15 1 1 A 60 60 ALA C C 60 175.631 176.209 -0.578 1
1 748 . 15 1 1 A 60 60 ALA CA C 60 50.320 50.325 -0.005 1
1 749 . 15 1 1 A 60 60 ALA CB C 60 21.744 20.326 1.418 1
1 750 . 15 1 1 A 60 60 ALA N N 60 124.617 128.301 -3.684 1
1 751 . 15 1 1 A 61 61 VAL H H 61 8.944 8.689 0.255 1
1 752 . 15 1 1 A 61 61 VAL HA H 61 4.244 4.563 -0.319 1
1 760 . 15 1 1 A 61 61 VAL C C 61 174.674 174.878 -0.204 1
1 761 . 15 1 1 A 61 61 VAL CA C 61 60.770 60.562 0.208 1
1 762 . 15 1 1 A 61 61 VAL CB C 61 36.636 35.079 1.557 1
1 765 . 15 1 1 A 61 61 VAL N N 61 124.079 123.277 0.802 1
1 766 . 15 1 1 A 62 62 GLU H H 62 8.490 8.809 -0.319 1
1 767 . 15 1 1 A 62 62 GLU HA H 62 4.551 4.288 0.263 1
1 772 . 15 1 1 A 62 62 GLU C C 62 177.700 176.861 0.839 1
1 773 . 15 1 1 A 62 62 GLU CA C 62 56.879 56.621 0.258 1
1 774 . 15 1 1 A 62 62 GLU CB C 62 29.372 29.506 -0.134 1
1 776 . 15 1 1 A 62 62 GLU N N 62 127.752 125.738 2.014 1
1 777 . 15 1 1 A 63 63 ALA H H 63 9.173 9.065 0.108 1
1 778 . 15 1 1 A 63 63 ALA HA H 63 3.991 4.440 -0.449 1
1 782 . 15 1 1 A 63 63 ALA C C 63 180.311 178.336 1.975 1
1 783 . 15 1 1 A 63 63 ALA CA C 63 54.850 52.602 2.248 1
1 784 . 15 1 1 A 63 63 ALA CB C 63 19.495 19.016 0.479 1
1 785 . 15 1 1 A 63 63 ALA N N 63 127.466 126.244 1.222 1
1 786 . 15 1 1 A 64 64 GLU H H 64 9.571 8.216 1.355 1
1 787 . 15 1 1 A 64 64 GLU HA H 64 4.146 4.202 -0.056 1
1 792 . 15 1 1 A 64 64 GLU C C 64 177.102 176.460 0.642 1
1 793 . 15 1 1 A 64 64 GLU CA C 64 63.532 60.792 2.740 1
1 794 . 15 1 1 A 64 64 GLU CB C 64 25.742 29.595 -3.853 1
1 796 . 15 1 1 A 64 64 GLU N N 64 120.368 119.235 1.133 1
1 797 . 15 1 1 A 65 65 PRO HA H 65 4.440 4.318 0.122 1
1 804 . 15 1 1 A 65 65 PRO C C 65 177.332 178.028 -0.696 1
1 805 . 15 1 1 A 65 65 PRO CA C 65 64.973 66.490 -1.517 1
1 806 . 15 1 1 A 65 65 PRO CB C 65 31.341 30.763 0.578 1
1 809 . 15 1 1 A 66 66 LEU H H 66 7.412 8.272 -0.860 1
1 810 . 15 1 1 A 66 66 LEU HA H 66 4.023 4.379 -0.356 1
1 820 . 15 1 1 A 66 66 LEU C C 66 178.533 178.266 0.267 1
1 821 . 15 1 1 A 66 66 LEU CA C 66 55.861 54.469 1.392 1
1 822 . 15 1 1 A 66 66 LEU CB C 66 41.349 41.483 -0.134 1
1 826 . 15 1 1 A 66 66 LEU N N 66 114.991 115.205 -0.214 1
1 827 . 15 1 1 A 67 67 GLY H H 67 7.733 8.131 -0.398 1
1 828 . 15 1 1 A 67 67 GLY HA2 H 67 4.018 3.886 0.132 1
1 829 . 15 1 1 A 67 67 GLY HA3 H 67 3.909 3.904 0.005 1
1 830 . 15 1 1 A 67 67 GLY C C 67 175.925 175.951 -0.026 1
1 831 . 15 1 1 A 67 67 GLY CA C 67 46.054 47.122 -1.068 1
1 832 . 15 1 1 A 67 67 GLY N N 67 104.242 110.117 -5.875 1
1 833 . 15 1 1 A 68 68 GLU H H 68 8.887 8.138 0.749 1
1 834 . 15 1 1 A 68 68 GLU HA H 68 4.219 4.117 0.102 1
1 839 . 15 1 1 A 68 68 GLU C C 68 176.314 177.346 -1.032 1
1 840 . 15 1 1 A 68 68 GLU CA C 68 57.652 59.120 -1.468 1
1 841 . 15 1 1 A 68 68 GLU CB C 68 29.306 29.634 -0.328 1
1 843 . 15 1 1 A 68 68 GLU N N 68 121.253 121.361 -0.108 1
1 844 . 15 1 1 A 69 69 ASP H H 69 7.630 7.862 -0.232 1
1 845 . 15 1 1 A 69 69 ASP HA H 69 4.587 4.744 -0.157 1
1 848 . 15 1 1 A 69 69 ASP C C 69 174.665 175.246 -0.581 1
1 849 . 15 1 1 A 69 69 ASP CA C 69 56.078 53.762 2.316 1
1 850 . 15 1 1 A 69 69 ASP CB C 69 41.572 41.288 0.284 1
1 851 . 15 1 1 A 69 69 ASP N N 69 116.486 116.855 -0.369 1
1 852 . 15 1 1 A 70 70 LEU H H 70 7.433 7.382 0.051 1
1 853 . 15 1 1 A 70 70 LEU HA H 70 4.854 5.004 -0.150 1
1 863 . 15 1 1 A 70 70 LEU C C 70 174.259 174.915 -0.656 1
1 864 . 15 1 1 A 70 70 LEU CA C 70 53.281 53.630 -0.349 1
1 865 . 15 1 1 A 70 70 LEU CB C 70 43.024 44.467 -1.443 1
1 869 . 15 1 1 A 70 70 LEU N N 70 121.585 122.500 -0.915 1
1 870 . 15 1 1 A 71 71 LYS H H 71 9.114 9.148 -0.034 1
1 871 . 15 1 1 A 71 71 LYS HA H 71 4.724 4.847 -0.123 1
1 880 . 15 1 1 A 71 71 LYS C C 71 175.146 175.592 -0.446 1
1 881 . 15 1 1 A 71 71 LYS CA C 71 54.024 55.364 -1.340 1
1 882 . 15 1 1 A 71 71 LYS CB C 71 35.469 32.856 2.613 1
1 886 . 15 1 1 A 71 71 LYS N N 71 126.179 126.621 -0.442 1
1 887 . 15 1 1 A 72 72 TRP H H 72 8.981 9.036 -0.055 1
1 888 . 15 1 1 A 72 72 TRP HA H 72 4.720 4.775 -0.055 1
1 897 . 15 1 1 A 72 72 TRP C C 72 176.394 175.286 1.108 1
1 898 . 15 1 1 A 72 72 TRP CA C 72 55.876 56.614 -0.738 1
1 899 . 15 1 1 A 72 72 TRP CB C 72 27.789 28.135 -0.346 1
1 905 . 15 1 1 A 72 72 TRP N N 72 125.904 126.234 -0.330 1
1 907 . 15 1 1 A 73 73 GLU H H 73 8.558 8.438 0.120 1
1 908 . 15 1 1 A 73 73 GLU HA H 73 4.762 4.927 -0.165 1
1 913 . 15 1 1 A 73 73 GLU C C 73 175.459 175.253 0.206 1
1 914 . 15 1 1 A 73 73 GLU CA C 73 55.208 54.620 0.588 1
1 915 . 15 1 1 A 73 73 GLU CB C 73 32.615 32.525 0.090 1
1 917 . 15 1 1 A 73 73 GLU N N 73 123.290 125.860 -2.570 1
1 918 . 15 1 1 A 74 74 ALA H H 74 8.962 8.787 0.175 1
1 919 . 15 1 1 A 74 74 ALA HA H 74 4.738 4.561 0.177 1
1 923 . 15 1 1 A 74 74 ALA C C 74 177.803 177.485 0.318 1
1 924 . 15 1 1 A 74 74 ALA CA C 74 52.246 51.916 0.330 1
1 925 . 15 1 1 A 74 74 ALA CB C 74 20.070 18.590 1.480 1
1 926 . 15 1 1 A 74 74 ALA N N 74 127.315 129.735 -2.420 1
1 927 . 15 1 1 A 75 75 SER H H 75 8.762 8.588 0.174 1
1 928 . 15 1 1 A 75 75 SER HA H 75 4.850 4.758 0.092 1
1 931 . 15 1 1 A 75 75 SER C C 75 176.080 174.679 1.401 1
1 932 . 15 1 1 A 75 75 SER CA C 75 56.954 58.169 -1.215 1
1 933 . 15 1 1 A 75 75 SER CB C 75 65.244 62.555 2.689 1
1 934 . 15 1 1 A 75 75 SER N N 75 117.745 117.966 -0.221 1
1 935 . 15 1 1 A 76 76 ARG HA H 76 4.193 4.232 -0.039 1
1 943 . 15 1 1 A 76 76 ARG CA C 76 58.895 58.428 0.467 1
1 944 . 15 1 1 A 76 76 ARG CB C 76 29.877 29.215 0.662 1
1 947 . 15 1 1 A 77 77 GLY C C 77 175.277 174.734 0.543 1
1 948 . 15 1 1 A 78 78 GLY H H 78 8.045 8.514 -0.469 1
1 949 . 15 1 1 A 78 78 GLY HA2 H 78 4.390 4.098 0.292 1
1 950 . 15 1 1 A 78 78 GLY HA3 H 78 3.786 4.101 -0.315 1
1 951 . 15 1 1 A 78 78 GLY C C 78 173.503 174.602 -1.099 1
1 952 . 15 1 1 A 78 78 GLY CA C 78 45.296 45.207 0.089 1
1 953 . 15 1 1 A 78 78 GLY N N 78 110.323 106.690 3.633 1
1 954 . 15 1 1 A 79 79 ALA H H 79 7.879 7.823 0.056 1
1 955 . 15 1 1 A 79 79 ALA HA H 79 4.357 4.220 0.137 1
1 959 . 15 1 1 A 79 79 ALA C C 79 176.674 176.565 0.109 1
1 960 . 15 1 1 A 79 79 ALA CA C 79 52.151 51.625 0.526 1
1 961 . 15 1 1 A 79 79 ALA CB C 79 20.171 19.242 0.929 1
1 962 . 15 1 1 A 79 79 ALA N N 79 123.865 123.821 0.044 1
1 963 . 15 1 1 A 80 80 ARG H H 80 8.375 8.520 -0.145 1
1 964 . 15 1 1 A 80 80 ARG HA H 80 4.629 4.499 0.130 1
1 972 . 15 1 1 A 80 80 ARG C C 80 175.713 175.212 0.501 1
1 973 . 15 1 1 A 80 80 ARG CA C 80 55.622 55.714 -0.092 1
1 974 . 15 1 1 A 80 80 ARG CB C 80 32.074 30.942 1.132 1
1 977 . 15 1 1 A 80 80 ARG N N 80 119.145 123.128 -3.983 1
1 979 . 15 1 1 A 81 81 PHE H H 81 8.722 8.404 0.318 1
1 980 . 15 1 1 A 81 81 PHE HA H 81 5.156 4.832 0.324 1
1 988 . 15 1 1 A 81 81 PHE C C 81 172.806 174.088 -1.282 1
1 989 . 15 1 1 A 81 81 PHE CA C 81 54.950 56.006 -1.056 1
1 990 . 15 1 1 A 81 81 PHE CB C 81 42.240 40.406 1.834 1
1 996 . 15 1 1 A 81 81 PHE N N 81 123.774 124.774 -1.000 1
1 997 . 15 1 1 A 82 82 PRO HA H 82 3.635 4.014 -0.379 1
1 1004 . 15 1 1 A 82 82 PRO C C 82 174.511 175.819 -1.308 1
1 1005 . 15 1 1 A 82 82 PRO CA C 82 61.347 62.342 -0.995 1
1 1006 . 15 1 1 A 82 82 PRO CB C 82 29.495 30.830 -1.335 1
1 1009 . 15 1 1 A 83 83 HIS H H 83 8.831 8.911 -0.080 1
1 1010 . 15 1 1 A 83 83 HIS HA H 83 5.330 4.859 0.471 1
1 1014 . 15 1 1 A 83 83 HIS C C 83 172.952 173.963 -1.011 1
1 1015 . 15 1 1 A 83 83 HIS CA C 83 50.700 54.930 -4.230 1
1 1016 . 15 1 1 A 83 83 HIS CB C 83 33.238 30.112 3.126 1
1 1018 . 15 1 1 A 83 83 HIS N N 83 124.483 123.340 1.143 1
1 1019 . 15 1 1 A 84 84 LEU H H 84 9.063 9.068 -0.005 1
1 1020 . 15 1 1 A 84 84 LEU HA H 84 5.163 4.993 0.170 1
1 1030 . 15 1 1 A 84 84 LEU C C 84 176.699 176.148 0.551 1
1 1031 . 15 1 1 A 84 84 LEU CA C 84 53.829 53.764 0.065 1
1 1032 . 15 1 1 A 84 84 LEU CB C 84 45.366 44.610 0.756 1
1 1036 . 15 1 1 A 84 84 LEU N N 84 125.218 126.644 -1.426 1
1 1037 . 15 1 1 A 85 85 TYR H H 85 9.058 8.887 0.171 1
1 1038 . 15 1 1 A 85 85 TYR HA H 85 4.508 4.848 -0.340 1
1 1045 . 15 1 1 A 85 85 TYR C C 85 173.624 174.626 -1.002 1
1 1046 . 15 1 1 A 85 85 TYR CA C 85 60.034 57.129 2.905 1
1 1047 . 15 1 1 A 85 85 TYR CB C 85 36.073 38.509 -2.436 1
1 1052 . 15 1 1 A 85 85 TYR N N 85 131.339 125.420 5.919 1
1 1053 . 15 1 1 A 86 86 ARG H H 86 7.432 7.587 -0.155 1
1 1054 . 15 1 1 A 86 86 ARG HA H 86 4.682 4.867 -0.185 1
1 1062 . 15 1 1 A 86 86 ARG C C 86 171.917 173.709 -1.792 1
1 1063 . 15 1 1 A 86 86 ARG CA C 86 54.953 52.725 2.228 1
1 1064 . 15 1 1 A 86 86 ARG CB C 86 28.209 32.275 -4.066 1
1 1067 . 15 1 1 A 86 86 ARG N N 86 114.399 118.317 -3.918 1
1 1069 . 15 1 1 A 87 87 PRO HA H 87 4.303 4.542 -0.239 1
1 1076 . 15 1 1 A 87 87 PRO C C 87 175.771 176.275 -0.504 1
1 1077 . 15 1 1 A 87 87 PRO CA C 87 63.497 62.981 0.516 1
1 1078 . 15 1 1 A 87 87 PRO CB C 87 32.253 31.655 0.598 1
1 1081 . 15 1 1 A 88 88 LEU H H 88 8.095 8.367 -0.272 1
1 1082 . 15 1 1 A 88 88 LEU HA H 88 4.286 4.689 -0.403 1
1 1092 . 15 1 1 A 88 88 LEU C C 88 175.946 175.981 -0.035 1
1 1093 . 15 1 1 A 88 88 LEU CA C 88 53.675 54.514 -0.839 1
1 1094 . 15 1 1 A 88 88 LEU CB C 88 45.548 43.175 2.373 1
1 1098 . 15 1 1 A 88 88 LEU N N 88 125.942 123.404 2.538 1
1 1099 . 15 1 1 A 89 89 LEU H H 89 9.224 8.126 1.098 1
1 1100 . 15 1 1 A 89 89 LEU HA H 89 4.561 4.342 0.219 1
1 1110 . 15 1 1 A 89 89 LEU C C 89 179.295 177.915 1.380 1
1 1111 . 15 1 1 A 89 89 LEU CA C 89 55.212 55.252 -0.040 1
1 1112 . 15 1 1 A 89 89 LEU CB C 89 41.460 41.771 -0.311 1
1 1116 . 15 1 1 A 89 89 LEU N N 89 128.295 128.093 0.202 1
1 1117 . 15 1 1 A 90 90 VAL H H 90 7.665 8.658 -0.993 1
1 1118 . 15 1 1 A 90 90 VAL HA H 90 3.785 3.852 -0.067 1
1 1126 . 15 1 1 A 90 90 VAL C C 90 178.510 177.882 0.628 1
1 1127 . 15 1 1 A 90 90 VAL CA C 90 66.833 66.418 0.415 1
1 1128 . 15 1 1 A 90 90 VAL CB C 90 31.330 31.538 -0.208 1
1 1131 . 15 1 1 A 90 90 VAL N N 90 122.696 122.646 0.050 1
1 1132 . 15 1 1 A 91 91 SER H H 91 8.134 8.199 -0.065 1
1 1133 . 15 1 1 A 91 91 SER HA H 91 4.280 4.332 -0.052 1
1 1136 . 15 1 1 A 91 91 SER C C 91 175.328 176.260 -0.932 1
1 1137 . 15 1 1 A 91 91 SER CA C 91 59.822 60.592 -0.770 1
1 1138 . 15 1 1 A 91 91 SER CB C 91 62.512 62.637 -0.125 1
1 1139 . 15 1 1 A 91 91 SER N N 91 112.443 115.707 -3.264 1
1 1140 . 15 1 1 A 92 92 GLU H H 92 7.598 8.083 -0.485 1
1 1141 . 15 1 1 A 92 92 GLU HA H 92 4.221 4.380 -0.159 1
1 1146 . 15 1 1 A 92 92 GLU C C 92 175.722 176.964 -1.242 1
1 1147 . 15 1 1 A 92 92 GLU CA C 92 56.594 57.874 -1.280 1
1 1148 . 15 1 1 A 92 92 GLU CB C 92 29.511 30.048 -0.537 1
1 1150 . 15 1 1 A 92 92 GLU N N 92 120.359 120.872 -0.513 1
1 1151 . 15 1 1 A 93 93 VAL H H 93 7.486 7.274 0.212 1
1 1152 . 15 1 1 A 93 93 VAL HA H 93 4.046 4.015 0.031 1
1 1160 . 15 1 1 A 93 93 VAL C C 93 176.093 175.455 0.638 1
1 1161 . 15 1 1 A 93 93 VAL CA C 93 63.242 63.345 -0.103 1
1 1162 . 15 1 1 A 93 93 VAL CB C 93 32.306 31.919 0.387 1
1 1165 . 15 1 1 A 93 93 VAL N N 93 121.222 120.336 0.886 1
1 1166 . 15 1 1 A 94 94 THR H H 94 9.003 8.827 0.176 1
1 1167 . 15 1 1 A 94 94 THR HA H 94 4.264 4.245 0.019 1
1 1172 . 15 1 1 A 94 94 THR C C 94 174.664 174.790 -0.126 1
1 1173 . 15 1 1 A 94 94 THR CA C 94 64.438 63.957 0.481 1
1 1174 . 15 1 1 A 94 94 THR CB C 94 69.317 69.345 -0.028 1
1 1176 . 15 1 1 A 94 94 THR N N 94 124.794 120.512 4.282 1
1 1177 . 15 1 1 A 95 95 ARG H H 95 7.514 7.546 -0.032 1
1 1178 . 15 1 1 A 95 95 ARG HA H 95 4.646 4.736 -0.090 1
1 1186 . 15 1 1 A 95 95 ARG C C 95 172.989 173.899 -0.910 1
1 1187 . 15 1 1 A 95 95 ARG CA C 95 55.872 55.299 0.573 1
1 1188 . 15 1 1 A 95 95 ARG CB C 95 33.789 33.793 -0.004 1
1 1191 . 15 1 1 A 95 95 ARG N N 95 118.660 118.223 0.437 1
1 1193 . 15 1 1 A 96 96 GLU H H 96 8.545 8.795 -0.250 1
1 1194 . 15 1 1 A 96 96 GLU HA H 96 5.329 4.876 0.453 1
1 1199 . 15 1 1 A 96 96 GLU C C 96 174.480 174.180 0.300 1
1 1200 . 15 1 1 A 96 96 GLU CA C 96 53.415 55.008 -1.593 1
1 1201 . 15 1 1 A 96 96 GLU CB C 96 33.592 30.770 2.822 1
1 1203 . 15 1 1 A 96 96 GLU N N 96 121.828 123.403 -1.575 1
1 1204 . 15 1 1 A 97 97 ALA H H 97 8.276 8.780 -0.504 1
1 1205 . 15 1 1 A 97 97 ALA HA H 97 4.537 4.396 0.141 1
1 1209 . 15 1 1 A 97 97 ALA C C 97 175.233 176.569 -1.336 1
1 1210 . 15 1 1 A 97 97 ALA CA C 97 51.368 51.538 -0.170 1
1 1211 . 15 1 1 A 97 97 ALA CB C 97 22.101 18.340 3.761 1
1 1212 . 15 1 1 A 97 97 ALA N N 97 123.211 129.499 -6.288 1
1 1213 . 15 1 1 A 98 98 ASP H H 98 8.399 8.164 0.235 1
1 1214 . 15 1 1 A 98 98 ASP HA H 98 4.850 4.603 0.247 1
1 1217 . 15 1 1 A 98 98 ASP C C 98 176.085 176.399 -0.314 1
1 1218 . 15 1 1 A 98 98 ASP CA C 98 54.824 54.575 0.249 1
1 1219 . 15 1 1 A 98 98 ASP CB C 98 41.694 40.080 1.614 1
1 1220 . 15 1 1 A 98 98 ASP N N 98 122.093 122.734 -0.641 1
1 1221 . 15 1 1 A 99 99 LEU H H 99 7.854 8.649 -0.795 1
1 1222 . 15 1 1 A 99 99 LEU HA H 99 4.766 3.960 0.806 1
1 1232 . 15 1 1 A 99 99 LEU C C 99 176.250 175.804 0.446 1
1 1233 . 15 1 1 A 99 99 LEU CA C 99 53.544 55.695 -2.151 1
1 1234 . 15 1 1 A 99 99 LEU CB C 99 44.229 40.637 3.592 1
1 1238 . 15 1 1 A 99 99 LEU N N 99 120.272 121.265 -0.993 1
1 1239 . 15 1 1 A 100 100 ASP H H 100 9.215 8.318 0.897 1
1 1240 . 15 1 1 A 100 100 ASP HA H 100 4.935 5.252 -0.317 1
1 1243 . 15 1 1 A 100 100 ASP C C 100 174.956 174.348 0.608 1
1 1244 . 15 1 1 A 100 100 ASP CA C 100 52.684 52.792 -0.108 1
1 1245 . 15 1 1 A 100 100 ASP CB C 100 43.362 41.605 1.757 1
1 1246 . 15 1 1 A 100 100 ASP N N 100 123.325 128.234 -4.909 1
1 1247 . 15 1 1 A 101 101 LEU H H 101 8.526 8.851 -0.325 1
1 1248 . 15 1 1 A 101 101 LEU HA H 101 4.639 5.048 -0.409 1
1 1258 . 15 1 1 A 101 101 LEU C C 101 178.204 175.607 2.597 1
1 1259 . 15 1 1 A 101 101 LEU CA C 101 53.490 53.526 -0.036 1
1 1260 . 15 1 1 A 101 101 LEU CB C 101 44.374 46.402 -2.028 1
1 1264 . 15 1 1 A 101 101 LEU N N 101 118.539 126.672 -8.133 1
1 1265 . 15 1 1 A 102 102 ASP H H 102 8.029 8.739 -0.710 1
1 1266 . 15 1 1 A 102 102 ASP HA H 102 4.615 4.915 -0.300 1
1 1269 . 15 1 1 A 102 102 ASP C C 102 178.176 176.966 1.210 1
1 1270 . 15 1 1 A 102 102 ASP CA C 102 52.297 51.707 0.590 1
1 1271 . 15 1 1 A 102 102 ASP CB C 102 41.108 43.717 -2.609 1
1 1272 . 15 1 1 A 102 102 ASP N N 102 121.008 121.380 -0.372 1
1 1273 . 15 1 1 A 103 103 ALA H H 103 8.384 8.725 -0.341 1
1 1274 . 15 1 1 A 103 103 ALA HA H 103 4.099 4.044 0.055 1
1 1278 . 15 1 1 A 103 103 ALA C C 103 178.527 178.214 0.313 1
1 1279 . 15 1 1 A 103 103 ALA CA C 103 54.648 55.091 -0.443 1
1 1280 . 15 1 1 A 103 103 ALA CB C 103 18.604 18.347 0.257 1
1 1281 . 15 1 1 A 103 103 ALA N N 103 120.139 124.869 -4.730 1
1 1282 . 15 1 1 A 104 104 ASP H H 104 8.033 7.834 0.199 1
1 1283 . 15 1 1 A 104 104 ASP HA H 104 4.811 4.685 0.126 1
1 1286 . 15 1 1 A 104 104 ASP C C 104 176.113 176.687 -0.574 1
1 1287 . 15 1 1 A 104 104 ASP CA C 104 54.077 54.196 -0.119 1
1 1288 . 15 1 1 A 104 104 ASP CB C 104 41.899 41.534 0.365 1
1 1289 . 15 1 1 A 104 104 ASP N N 104 116.590 116.992 -0.402 1
1 1290 . 15 1 1 A 105 105 GLY H H 105 8.196 8.322 -0.126 1
1 1291 . 15 1 1 A 105 105 GLY HA2 H 105 4.293 3.995 0.298 1
1 1292 . 15 1 1 A 105 105 GLY HA3 H 105 3.657 3.996 -0.339 1
1 1293 . 15 1 1 A 105 105 GLY C C 105 173.635 174.554 -0.919 1
1 1294 . 15 1 1 A 105 105 GLY CA C 105 45.741 45.794 -0.053 1
1 1295 . 15 1 1 A 105 105 GLY N N 105 107.882 108.543 -0.661 1
1 1296 . 15 1 1 A 106 106 VAL H H 106 8.886 7.674 1.212 1
1 1297 . 15 1 1 A 106 106 VAL HA H 106 4.082 4.258 -0.176 1
1 1305 . 15 1 1 A 106 106 VAL C C 106 175.529 175.045 0.484 1
1 1306 . 15 1 1 A 106 106 VAL CA C 106 61.360 59.696 1.664 1
1 1307 . 15 1 1 A 106 106 VAL CB C 106 32.373 32.254 0.119 1
1 1310 . 15 1 1 A 106 106 VAL N N 106 125.585 122.599 2.986 1
1 1311 . 15 1 1 A 107 107 PRO HA H 107 4.737 5.154 -0.417 1
1 1318 . 15 1 1 A 107 107 PRO C C 107 176.029 176.606 -0.577 1
1 1319 . 15 1 1 A 107 107 PRO CA C 107 62.674 62.667 0.007 1
1 1320 . 15 1 1 A 107 107 PRO CB C 107 31.789 30.701 1.088 1
1 1323 . 15 1 1 A 108 108 GLN H H 108 8.563 8.887 -0.324 1
1 1324 . 15 1 1 A 108 108 GLN HA H 108 4.498 4.428 0.070 1
1 1331 . 15 1 1 A 108 108 GLN C C 108 176.218 176.327 -0.109 1
1 1332 . 15 1 1 A 108 108 GLN CA C 108 54.901 54.845 0.056 1
1 1333 . 15 1 1 A 108 108 GLN CB C 108 29.514 27.298 2.216 1
1 1336 . 15 1 1 A 108 108 GLN N N 108 122.641 123.505 -0.864 1
1 1338 . 15 1 1 A 109 109 LEU H H 109 8.853 8.037 0.816 1
1 1339 . 15 1 1 A 109 109 LEU HA H 109 4.330 4.149 0.181 1
1 1349 . 15 1 1 A 109 109 LEU C C 109 178.151 177.998 0.153 1
1 1350 . 15 1 1 A 109 109 LEU CA C 109 56.522 56.337 0.185 1
1 1351 . 15 1 1 A 109 109 LEU CB C 109 41.883 41.636 0.247 1
1 1355 . 15 1 1 A 109 109 LEU N N 109 125.974 122.917 3.057 1
1 1356 . 15 1 1 A 110 110 GLY H H 110 8.809 8.155 0.654 1
1 1357 . 15 1 1 A 110 110 GLY HA2 H 110 3.952 3.805 0.147 1
1 1358 . 15 1 1 A 110 110 GLY HA3 H 110 3.551 3.812 -0.261 1
1 1359 . 15 1 1 A 110 110 GLY C C 110 176.002 175.581 0.421 1
1 1360 . 15 1 1 A 110 110 GLY CA C 110 48.748 47.156 1.592 1
1 1361 . 15 1 1 A 110 110 GLY N N 110 109.442 110.147 -0.705 1
1 1362 . 15 1 1 A 111 111 ASP H H 111 8.674 7.336 1.338 1
1 1363 . 15 1 1 A 111 111 ASP HA H 111 4.317 4.283 0.034 1
1 1366 . 15 1 1 A 111 111 ASP C C 111 177.159 178.144 -0.985 1
1 1367 . 15 1 1 A 111 111 ASP CA C 111 56.239 56.403 -0.164 1
1 1368 . 15 1 1 A 111 111 ASP CB C 111 39.791 40.122 -0.331 1
1 1369 . 15 1 1 A 111 111 ASP N N 111 119.503 121.992 -2.489 1
1 1370 . 15 1 1 A 112 112 HIS H H 112 7.471 7.598 -0.127 1
1 1371 . 15 1 1 A 112 112 HIS HA H 112 4.481 4.469 0.012 1
1 1376 . 15 1 1 A 112 112 HIS C C 112 177.121 175.400 1.721 1
1 1377 . 15 1 1 A 112 112 HIS CA C 112 56.692 58.779 -2.087 1
1 1378 . 15 1 1 A 112 112 HIS CB C 112 31.648 30.604 1.044 1
1 1381 . 15 1 1 A 112 112 HIS N N 112 116.681 116.250 0.431 1
1 1382 . 15 1 1 A 113 113 LEU H H 113 7.526 7.430 0.096 1
1 1383 . 15 1 1 A 113 113 LEU HA H 113 4.148 4.773 -0.625 1
1 1393 . 15 1 1 A 113 113 LEU C C 113 177.363 176.264 1.099 1
1 1394 . 15 1 1 A 113 113 LEU CA C 113 55.509 53.499 2.010 1
1 1395 . 15 1 1 A 113 113 LEU CB C 113 42.009 43.565 -1.556 1
1 1399 . 15 1 1 A 113 113 LEU N N 113 118.976 118.772 0.204 1
1 1400 . 15 1 1 A 114 114 ALA H H 114 7.648 8.368 -0.720 1
1 1401 . 15 1 1 A 114 114 ALA HA H 114 4.227 4.499 -0.272 1
1 1405 . 15 1 1 A 114 114 ALA C C 114 177.692 177.236 0.456 1
1 1406 . 15 1 1 A 114 114 ALA CA C 114 52.828 52.419 0.409 1
1 1407 . 15 1 1 A 114 114 ALA CB C 114 18.497 21.766 -3.269 1
1 1408 . 15 1 1 A 114 114 ALA N N 114 121.893 120.926 0.967 1
1 1409 . 15 1 1 A 115 115 LEU H H 115 7.764 7.503 0.261 1
1 1410 . 15 1 1 A 115 115 LEU HA H 115 4.146 4.339 -0.193 1
1 1420 . 15 1 1 A 115 115 LEU C C 115 177.819 177.607 0.212 1
1 1421 . 15 1 1 A 115 115 LEU CA C 115 55.771 55.077 0.694 1
1 1422 . 15 1 1 A 115 115 LEU CB C 115 42.000 42.584 -0.584 1
1 1426 . 15 1 1 A 115 115 LEU N N 115 119.576 120.131 -0.555 1
1 12 . 16 1 1 A 2 2 THR HA H 2 3.833 4.384 -0.551 1
1 17 . 16 1 1 A 2 2 THR C C 2 170.665 174.709 -4.044 1
1 18 . 16 1 1 A 2 2 THR CA C 2 62.154 65.706 -3.552 1
1 19 . 16 1 1 A 2 2 THR CB C 2 69.580 69.097 0.483 1
1 21 . 16 1 1 A 3 3 LEU H H 3 9.068 7.591 1.477 1
1 22 . 16 1 1 A 3 3 LEU HA H 3 4.887 4.130 0.757 1
1 32 . 16 1 1 A 3 3 LEU C C 3 175.859 175.636 0.223 1
1 33 . 16 1 1 A 3 3 LEU CA C 3 54.426 54.412 0.014 1
1 34 . 16 1 1 A 3 3 LEU CB C 3 43.222 40.663 2.559 1
1 38 . 16 1 1 A 3 3 LEU N N 3 129.030 121.249 7.781 1
1 39 . 16 1 1 A 4 4 ILE H H 4 8.897 8.365 0.532 1
1 40 . 16 1 1 A 4 4 ILE HA H 4 4.753 5.009 -0.256 1
1 50 . 16 1 1 A 4 4 ILE C C 4 174.211 174.126 0.085 1
1 51 . 16 1 1 A 4 4 ILE CA C 4 59.998 59.237 0.761 1
1 52 . 16 1 1 A 4 4 ILE CB C 4 41.129 39.802 1.327 1
1 56 . 16 1 1 A 4 4 ILE N N 4 115.702 121.234 -5.532 1
1 57 . 16 1 1 A 5 5 TYR H H 5 9.050 9.196 -0.146 1
1 58 . 16 1 1 A 5 5 TYR HA H 5 5.770 5.365 0.405 1
1 65 . 16 1 1 A 5 5 TYR C C 5 175.987 174.537 1.450 1
1 66 . 16 1 1 A 5 5 TYR CA C 5 57.923 56.002 1.921 1
1 67 . 16 1 1 A 5 5 TYR CB C 5 42.963 43.281 -0.318 1
1 72 . 16 1 1 A 5 5 TYR N N 5 114.414 122.414 -8.000 1
1 73 . 16 1 1 A 6 6 LYS H H 6 8.858 8.608 0.250 1
1 74 . 16 1 1 A 6 6 LYS HA H 6 4.813 4.724 0.089 1
1 83 . 16 1 1 A 6 6 LYS C C 6 172.801 174.829 -2.028 1
1 84 . 16 1 1 A 6 6 LYS CA C 6 52.969 55.104 -2.135 1
1 85 . 16 1 1 A 6 6 LYS CB C 6 37.109 35.540 1.569 1
1 89 . 16 1 1 A 6 6 LYS N N 6 121.597 121.570 0.027 1
1 90 . 16 1 1 A 7 7 ILE H H 7 8.277 8.840 -0.563 1
1 91 . 16 1 1 A 7 7 ILE HA H 7 4.702 4.730 -0.028 1
1 101 . 16 1 1 A 7 7 ILE C C 7 173.742 174.411 -0.669 1
1 102 . 16 1 1 A 7 7 ILE CA C 7 60.340 59.916 0.424 1
1 103 . 16 1 1 A 7 7 ILE CB C 7 38.941 38.463 0.478 1
1 107 . 16 1 1 A 7 7 ILE N N 7 128.212 127.511 0.701 1
1 108 . 16 1 1 A 8 8 LEU H H 8 8.627 8.363 0.264 1
1 109 . 16 1 1 A 8 8 LEU HA H 8 4.757 4.830 -0.073 1
1 119 . 16 1 1 A 8 8 LEU C C 8 173.661 175.480 -1.819 1
1 120 . 16 1 1 A 8 8 LEU CA C 8 54.530 53.650 0.880 1
1 121 . 16 1 1 A 8 8 LEU CB C 8 43.617 44.841 -1.224 1
1 125 . 16 1 1 A 8 8 LEU N N 8 126.590 123.541 3.049 1
1 126 . 16 1 1 A 9 9 SER H H 9 8.546 8.945 -0.399 1
1 127 . 16 1 1 A 9 9 SER HA H 9 4.765 4.863 -0.098 1
1 130 . 16 1 1 A 9 9 SER C C 9 175.160 175.698 -0.538 1
1 131 . 16 1 1 A 9 9 SER CA C 9 58.520 57.595 0.925 1
1 132 . 16 1 1 A 9 9 SER CB C 9 65.227 64.734 0.493 1
1 133 . 16 1 1 A 9 9 SER N N 9 115.543 115.464 0.079 1
1 134 . 16 1 1 A 10 10 ARG H H 10 9.080 9.178 -0.098 1
1 135 . 16 1 1 A 10 10 ARG HA H 10 4.037 4.083 -0.046 1
1 143 . 16 1 1 A 10 10 ARG C C 10 177.847 178.458 -0.611 1
1 144 . 16 1 1 A 10 10 ARG CA C 10 59.210 60.276 -1.066 1
1 145 . 16 1 1 A 10 10 ARG CB C 10 28.776 29.840 -1.064 1
1 148 . 16 1 1 A 10 10 ARG N N 10 123.688 122.258 1.430 1
1 150 . 16 1 1 A 11 11 ALA H H 11 8.753 8.215 0.538 1
1 151 . 16 1 1 A 11 11 ALA HA H 11 4.248 4.144 0.104 1
1 155 . 16 1 1 A 11 11 ALA C C 11 181.848 180.419 1.429 1
1 156 . 16 1 1 A 11 11 ALA CA C 11 55.483 55.293 0.190 1
1 157 . 16 1 1 A 11 11 ALA CB C 11 18.209 18.209 0.000 1
1 158 . 16 1 1 A 11 11 ALA N N 11 119.698 121.991 -2.293 1
1 159 . 16 1 1 A 12 12 GLU H H 12 7.957 7.703 0.254 1
1 160 . 16 1 1 A 12 12 GLU HA H 12 4.183 4.191 -0.008 1
1 165 . 16 1 1 A 12 12 GLU C C 12 179.576 179.048 0.528 1
1 166 . 16 1 1 A 12 12 GLU CA C 12 59.103 58.608 0.495 1
1 167 . 16 1 1 A 12 12 GLU CB C 12 31.077 29.514 1.563 1
1 169 . 16 1 1 A 12 12 GLU N N 12 118.210 118.333 -0.123 1
1 170 . 16 1 1 A 13 13 TRP H H 13 8.585 8.315 0.270 1
1 171 . 16 1 1 A 13 13 TRP HA H 13 4.937 4.246 0.691 1
1 180 . 16 1 1 A 13 13 TRP C C 13 176.827 178.344 -1.517 1
1 181 . 16 1 1 A 13 13 TRP CA C 13 57.845 60.945 -3.100 1
1 182 . 16 1 1 A 13 13 TRP CB C 13 31.010 29.403 1.607 1
1 188 . 16 1 1 A 13 13 TRP N N 13 123.646 123.042 0.604 1
1 190 . 16 1 1 A 14 14 ASP H H 14 9.260 8.564 0.696 1
1 191 . 16 1 1 A 14 14 ASP HA H 14 4.048 4.047 0.001 1
1 194 . 16 1 1 A 14 14 ASP C C 14 180.120 178.528 1.592 1
1 195 . 16 1 1 A 14 14 ASP CA C 14 57.767 57.183 0.584 1
1 196 . 16 1 1 A 14 14 ASP CB C 14 39.467 39.879 -0.412 1
1 197 . 16 1 1 A 14 14 ASP N N 14 120.253 118.799 1.454 1
1 198 . 16 1 1 A 15 15 ALA H H 15 7.599 8.143 -0.544 1
1 199 . 16 1 1 A 15 15 ALA HA H 15 4.163 4.093 0.070 1
1 203 . 16 1 1 A 15 15 ALA C C 15 180.115 179.770 0.345 1
1 204 . 16 1 1 A 15 15 ALA CA C 15 55.016 54.991 0.025 1
1 205 . 16 1 1 A 15 15 ALA CB C 15 17.871 17.989 -0.118 1
1 206 . 16 1 1 A 15 15 ALA N N 15 122.164 122.840 -0.676 1
1 207 . 16 1 1 A 16 16 ALA H H 16 7.944 7.943 0.001 1
1 208 . 16 1 1 A 16 16 ALA HA H 16 4.334 4.136 0.198 1
1 212 . 16 1 1 A 16 16 ALA C C 16 180.101 180.004 0.097 1
1 213 . 16 1 1 A 16 16 ALA CA C 16 54.659 55.602 -0.943 1
1 214 . 16 1 1 A 16 16 ALA CB C 16 19.107 18.314 0.793 1
1 215 . 16 1 1 A 16 16 ALA N N 16 122.526 120.781 1.745 1
1 216 . 16 1 1 A 17 17 LYS H H 17 8.317 7.684 0.633 1
1 217 . 16 1 1 A 17 17 LYS HA H 17 3.462 3.841 -0.379 1
1 226 . 16 1 1 A 17 17 LYS C C 17 179.126 178.707 0.419 1
1 227 . 16 1 1 A 17 17 LYS CA C 17 60.077 59.268 0.809 1
1 228 . 16 1 1 A 17 17 LYS CB C 17 31.431 31.826 -0.395 1
1 232 . 16 1 1 A 17 17 LYS N N 17 117.572 116.432 1.140 1
1 233 . 16 1 1 A 18 18 ALA H H 18 7.296 8.241 -0.945 1
1 234 . 16 1 1 A 18 18 ALA HA H 18 4.100 4.005 0.095 1
1 238 . 16 1 1 A 18 18 ALA C C 18 178.940 179.586 -0.646 1
1 239 . 16 1 1 A 18 18 ALA CA C 18 54.513 55.393 -0.880 1
1 240 . 16 1 1 A 18 18 ALA CB C 18 18.132 18.159 -0.027 1
1 241 . 16 1 1 A 18 18 ALA N N 18 119.644 122.204 -2.560 1
1 242 . 16 1 1 A 19 19 GLN H H 19 7.443 7.814 -0.371 1
1 243 . 16 1 1 A 19 19 GLN HA H 19 4.535 4.195 0.340 1
1 250 . 16 1 1 A 19 19 GLN C C 19 176.607 176.925 -0.318 1
1 251 . 16 1 1 A 19 19 GLN CA C 19 55.755 55.276 0.479 1
1 252 . 16 1 1 A 19 19 GLN CB C 19 30.075 27.878 2.197 1
1 255 . 16 1 1 A 19 19 GLN N N 19 113.538 112.727 0.811 1
1 257 . 16 1 1 A 20 20 GLY H H 20 8.277 8.079 0.198 1
1 258 . 16 1 1 A 20 20 GLY HA2 H 20 4.450 3.929 0.521 1
1 259 . 16 1 1 A 20 20 GLY HA3 H 20 3.627 3.947 -0.320 1
1 260 . 16 1 1 A 20 20 GLY C C 20 174.006 174.380 -0.374 1
1 261 . 16 1 1 A 20 20 GLY CA C 20 45.567 45.362 0.205 1
1 262 . 16 1 1 A 20 20 GLY N N 20 108.233 109.774 -1.541 1
1 263 . 16 1 1 A 21 21 ARG H H 21 7.786 7.945 -0.159 1
1 264 . 16 1 1 A 21 21 ARG HA H 21 5.123 4.743 0.380 1
1 272 . 16 1 1 A 21 21 ARG C C 21 171.553 174.722 -3.169 1
1 273 . 16 1 1 A 21 21 ARG CA C 21 54.882 55.260 -0.378 1
1 274 . 16 1 1 A 21 21 ARG CB C 21 32.114 32.419 -0.305 1
1 277 . 16 1 1 A 21 21 ARG N N 21 116.837 120.760 -3.923 1
1 279 . 16 1 1 A 22 22 PHE H H 22 9.821 8.721 1.100 1
1 280 . 16 1 1 A 22 22 PHE HA H 22 5.185 4.931 0.254 1
1 285 . 16 1 1 A 22 22 PHE C C 22 173.825 175.192 -1.367 1
1 286 . 16 1 1 A 22 22 PHE CA C 22 54.913 57.232 -2.319 1
1 287 . 16 1 1 A 22 22 PHE CB C 22 41.568 40.877 0.691 1
1 290 . 16 1 1 A 22 22 PHE N N 22 121.680 121.622 0.058 1
1 291 . 16 1 1 A 23 23 GLU H H 23 9.053 8.416 0.637 1
1 292 . 16 1 1 A 23 23 GLU HA H 23 3.893 4.173 -0.280 1
1 297 . 16 1 1 A 23 23 GLU C C 23 174.856 176.137 -1.281 1
1 298 . 16 1 1 A 23 23 GLU CA C 23 56.781 56.733 0.048 1
1 299 . 16 1 1 A 23 23 GLU CB C 23 29.990 30.236 -0.246 1
1 301 . 16 1 1 A 23 23 GLU N N 23 125.059 127.723 -2.664 1
1 302 . 16 1 1 A 24 24 GLY HA2 H 24 4.212 3.266 0.946 1
1 303 . 16 1 1 A 24 24 GLY HA3 H 24 3.112 3.736 -0.624 1
1 304 . 16 1 1 A 24 24 GLY C C 24 173.311 172.334 0.977 1
1 305 . 16 1 1 A 24 24 GLY CA C 24 45.104 44.155 0.949 1
1 306 . 16 1 1 A 25 25 SER H H 25 9.877 8.460 1.417 1
1 307 . 16 1 1 A 25 25 SER HA H 25 4.884 4.811 0.073 1
1 310 . 16 1 1 A 25 25 SER C C 25 173.788 175.331 -1.543 1
1 311 . 16 1 1 A 25 25 SER CA C 25 57.549 57.141 0.408 1
1 312 . 16 1 1 A 25 25 SER CB C 25 65.383 65.426 -0.043 1
1 313 . 16 1 1 A 25 25 SER N N 25 121.073 114.206 6.867 1
1 314 . 16 1 1 A 26 26 ALA H H 26 9.097 8.556 0.541 1
1 315 . 16 1 1 A 26 26 ALA HA H 26 3.964 3.973 -0.009 1
1 319 . 16 1 1 A 26 26 ALA C C 26 181.102 179.914 1.188 1
1 320 . 16 1 1 A 26 26 ALA CA C 26 56.670 55.632 1.038 1
1 321 . 16 1 1 A 26 26 ALA CB C 26 17.927 18.312 -0.385 1
1 322 . 16 1 1 A 26 26 ALA N N 26 123.398 123.128 0.270 1
1 323 . 16 1 1 A 27 27 VAL H H 27 7.928 8.062 -0.134 1
1 324 . 16 1 1 A 27 27 VAL HA H 27 3.593 3.299 0.294 1
1 332 . 16 1 1 A 27 27 VAL C C 27 176.628 177.529 -0.901 1
1 333 . 16 1 1 A 27 27 VAL CA C 27 65.257 66.478 -1.221 1
1 334 . 16 1 1 A 27 27 VAL CB C 27 31.688 31.385 0.303 1
1 337 . 16 1 1 A 27 27 VAL N N 27 117.697 118.045 -0.348 1
1 338 . 16 1 1 A 28 28 ASP H H 28 6.927 8.164 -1.237 1
1 339 . 16 1 1 A 28 28 ASP HA H 28 4.512 4.217 0.295 1
1 342 . 16 1 1 A 28 28 ASP C C 28 178.402 178.786 -0.384 1
1 343 . 16 1 1 A 28 28 ASP CA C 28 56.586 57.034 -0.448 1
1 344 . 16 1 1 A 28 28 ASP CB C 28 41.317 40.708 0.609 1
1 345 . 16 1 1 A 28 28 ASP N N 28 121.516 119.830 1.686 1
1 346 . 16 1 1 A 29 29 LEU H H 29 8.309 8.137 0.172 1
1 347 . 16 1 1 A 29 29 LEU HA H 29 3.764 3.988 -0.224 1
1 357 . 16 1 1 A 29 29 LEU C C 29 180.093 179.568 0.525 1
1 358 . 16 1 1 A 29 29 LEU CA C 29 57.091 57.210 -0.119 1
1 359 . 16 1 1 A 29 29 LEU CB C 29 41.418 41.217 0.201 1
1 363 . 16 1 1 A 29 29 LEU N N 29 118.648 120.002 -1.354 1
1 364 . 16 1 1 A 30 30 ALA H H 30 7.458 7.692 -0.234 1
1 365 . 16 1 1 A 30 30 ALA HA H 30 4.000 3.950 0.050 1
1 369 . 16 1 1 A 30 30 ALA C C 30 179.371 178.737 0.634 1
1 370 . 16 1 1 A 30 30 ALA CA C 30 54.526 55.549 -1.023 1
1 371 . 16 1 1 A 30 30 ALA CB C 30 18.102 18.495 -0.393 1
1 372 . 16 1 1 A 30 30 ALA N N 30 120.814 122.518 -1.704 1
1 373 . 16 1 1 A 31 31 ASP H H 31 7.682 7.574 0.108 1
1 374 . 16 1 1 A 31 31 ASP HA H 31 4.410 4.513 -0.103 1
1 377 . 16 1 1 A 31 31 ASP C C 31 176.610 176.400 0.210 1
1 378 . 16 1 1 A 31 31 ASP CA C 31 55.271 55.353 -0.082 1
1 379 . 16 1 1 A 31 31 ASP CB C 31 40.083 41.177 -1.094 1
1 380 . 16 1 1 A 31 31 ASP N N 31 117.191 113.853 3.338 1
1 381 . 16 1 1 A 32 32 GLY H H 32 7.909 7.416 0.493 1
1 382 . 16 1 1 A 32 32 GLY HA2 H 32 4.090 3.748 0.342 1
1 383 . 16 1 1 A 32 32 GLY HA3 H 32 3.597 3.802 -0.205 1
1 384 . 16 1 1 A 32 32 GLY C C 32 173.168 173.548 -0.380 1
1 385 . 16 1 1 A 32 32 GLY CA C 32 45.112 45.266 -0.154 1
1 386 . 16 1 1 A 32 32 GLY N N 32 106.983 107.188 -0.205 1
1 387 . 16 1 1 A 33 33 PHE H H 33 7.233 8.004 -0.771 1
1 388 . 16 1 1 A 33 33 PHE HA H 33 4.212 5.123 -0.911 1
1 396 . 16 1 1 A 33 33 PHE C C 33 171.389 175.401 -4.012 1
1 397 . 16 1 1 A 33 33 PHE CA C 33 55.383 56.324 -0.941 1
1 398 . 16 1 1 A 33 33 PHE CB C 33 37.177 43.275 -6.098 1
1 404 . 16 1 1 A 33 33 PHE N N 33 115.364 119.061 -3.697 1
1 405 . 16 1 1 A 34 34 ILE H H 34 8.637 8.923 -0.286 1
1 406 . 16 1 1 A 34 34 ILE HA H 34 3.817 4.191 -0.374 1
1 416 . 16 1 1 A 34 34 ILE C C 34 177.018 176.257 0.761 1
1 417 . 16 1 1 A 34 34 ILE CA C 34 60.724 62.840 -2.116 1
1 418 . 16 1 1 A 34 34 ILE CB C 34 39.266 37.239 2.027 1
1 422 . 16 1 1 A 34 34 ILE N N 34 114.086 123.877 -9.791 1
1 423 . 16 1 1 A 35 35 HIS H H 35 9.203 9.159 0.044 1
1 424 . 16 1 1 A 35 35 HIS HA H 35 4.448 4.917 -0.469 1
1 428 . 16 1 1 A 35 35 HIS C C 35 175.740 175.087 0.653 1
1 429 . 16 1 1 A 35 35 HIS CA C 35 57.757 55.628 2.129 1
1 430 . 16 1 1 A 35 35 HIS CB C 35 29.758 30.887 -1.129 1
1 432 . 16 1 1 A 35 35 HIS N N 35 127.988 127.136 0.852 1
1 433 . 16 1 1 A 36 36 LEU H H 36 8.454 9.266 -0.812 1
1 434 . 16 1 1 A 36 36 LEU HA H 36 5.190 4.764 0.426 1
1 444 . 16 1 1 A 36 36 LEU C C 36 174.813 175.961 -1.148 1
1 445 . 16 1 1 A 36 36 LEU CA C 36 56.019 53.607 2.412 1
1 446 . 16 1 1 A 36 36 LEU CB C 36 44.541 42.980 1.561 1
1 450 . 16 1 1 A 36 36 LEU N N 36 126.075 125.381 0.694 1
1 451 . 16 1 1 A 37 37 SER H H 37 9.128 8.968 0.160 1
1 452 . 16 1 1 A 37 37 SER HA H 37 5.277 4.729 0.548 1
1 455 . 16 1 1 A 37 37 SER C C 37 174.433 173.898 0.535 1
1 456 . 16 1 1 A 37 37 SER CA C 37 57.990 59.398 -1.408 1
1 457 . 16 1 1 A 37 37 SER CB C 37 66.778 63.147 3.631 1
1 458 . 16 1 1 A 37 37 SER N N 37 112.795 121.500 -8.705 1
1 459 . 16 1 1 A 38 38 ALA H H 38 9.665 8.830 0.835 1
1 460 . 16 1 1 A 38 38 ALA HA H 38 4.973 4.444 0.529 1
1 464 . 16 1 1 A 38 38 ALA C C 38 179.640 178.209 1.431 1
1 465 . 16 1 1 A 38 38 ALA CA C 38 52.303 53.085 -0.782 1
1 466 . 16 1 1 A 38 38 ALA CB C 38 19.350 18.920 0.430 1
1 467 . 16 1 1 A 38 38 ALA N N 38 127.103 129.626 -2.523 1
1 468 . 16 1 1 A 39 39 GLY H H 39 10.159 9.135 1.024 1
1 469 . 16 1 1 A 39 39 GLY HA2 H 39 4.249 3.891 0.358 1
1 470 . 16 1 1 A 39 39 GLY HA3 H 39 3.720 3.964 -0.244 1
1 471 . 16 1 1 A 39 39 GLY C C 39 176.229 175.512 0.717 1
1 472 . 16 1 1 A 39 39 GLY CA C 39 49.163 47.362 1.801 1
1 473 . 16 1 1 A 39 39 GLY N N 39 112.007 114.980 -2.973 1
1 474 . 16 1 1 A 40 40 GLU H H 40 9.367 8.845 0.522 1
1 475 . 16 1 1 A 40 40 GLU HA H 40 4.234 3.980 0.254 1
1 480 . 16 1 1 A 40 40 GLU C C 40 176.417 179.015 -2.598 1
1 481 . 16 1 1 A 40 40 GLU CA C 40 58.622 59.251 -0.629 1
1 482 . 16 1 1 A 40 40 GLU CB C 40 28.796 29.323 -0.527 1
1 484 . 16 1 1 A 40 40 GLU N N 40 117.243 125.646 -8.403 1
1 485 . 16 1 1 A 41 41 GLN H H 41 7.503 7.950 -0.447 1
1 486 . 16 1 1 A 41 41 GLN HA H 41 4.752 4.127 0.625 1
1 493 . 16 1 1 A 41 41 GLN C C 41 177.730 178.024 -0.294 1
1 494 . 16 1 1 A 41 41 GLN CA C 41 55.626 58.822 -3.196 1
1 495 . 16 1 1 A 41 41 GLN CB C 41 30.653 28.570 2.083 1
1 498 . 16 1 1 A 41 41 GLN N N 41 115.837 120.163 -4.326 1
1 500 . 16 1 1 A 42 42 ALA H H 42 7.519 8.142 -0.623 1
1 501 . 16 1 1 A 42 42 ALA HA H 42 3.927 4.088 -0.161 1
1 505 . 16 1 1 A 42 42 ALA C C 42 177.826 179.366 -1.540 1
1 506 . 16 1 1 A 42 42 ALA CA C 42 56.706 55.183 1.523 1
1 507 . 16 1 1 A 42 42 ALA CB C 42 18.247 18.210 0.037 1
1 508 . 16 1 1 A 42 42 ALA N N 42 123.105 122.163 0.942 1
1 509 . 16 1 1 A 43 43 GLN H H 43 9.203 7.724 1.479 1
1 510 . 16 1 1 A 43 43 GLN HA H 43 3.942 3.988 -0.046 1
1 517 . 16 1 1 A 43 43 GLN C C 43 177.913 177.791 0.122 1
1 518 . 16 1 1 A 43 43 GLN CA C 43 58.678 59.287 -0.609 1
1 519 . 16 1 1 A 43 43 GLN CB C 43 28.815 28.455 0.360 1
1 522 . 16 1 1 A 43 43 GLN N N 43 118.650 117.750 0.900 1
1 524 . 16 1 1 A 44 44 GLU H H 44 8.611 7.859 0.752 1
1 525 . 16 1 1 A 44 44 GLU HA H 44 4.207 4.124 0.083 1
1 530 . 16 1 1 A 44 44 GLU C C 44 179.090 179.329 -0.239 1
1 531 . 16 1 1 A 44 44 GLU CA C 44 59.246 59.257 -0.011 1
1 532 . 16 1 1 A 44 44 GLU CB C 44 28.850 29.344 -0.494 1
1 534 . 16 1 1 A 44 44 GLU N N 44 122.042 119.982 2.060 1
1 535 . 16 1 1 A 45 45 THR H H 45 8.292 8.600 -0.308 1
1 536 . 16 1 1 A 45 45 THR HA H 45 4.123 4.242 -0.119 1
1 541 . 16 1 1 A 45 45 THR C C 45 176.228 176.819 -0.591 1
1 542 . 16 1 1 A 45 45 THR CA C 45 66.902 66.356 0.546 1
1 543 . 16 1 1 A 45 45 THR CB C 45 68.949 68.650 0.299 1
1 545 . 16 1 1 A 45 45 THR N N 45 117.583 116.213 1.370 1
1 546 . 16 1 1 A 46 46 ALA H H 46 8.275 8.697 -0.422 1
1 547 . 16 1 1 A 46 46 ALA HA H 46 4.255 4.416 -0.161 1
1 551 . 16 1 1 A 46 46 ALA C C 46 178.630 180.539 -1.909 1
1 552 . 16 1 1 A 46 46 ALA CA C 46 55.406 55.450 -0.044 1
1 553 . 16 1 1 A 46 46 ALA CB C 46 18.482 18.316 0.166 1
1 554 . 16 1 1 A 46 46 ALA N N 46 123.184 123.820 -0.636 1
1 555 . 16 1 1 A 47 47 ALA H H 47 8.066 8.205 -0.139 1
1 556 . 16 1 1 A 47 47 ALA HA H 47 3.953 4.117 -0.164 1
1 560 . 16 1 1 A 47 47 ALA C C 47 178.552 179.588 -1.036 1
1 561 . 16 1 1 A 47 47 ALA CA C 47 55.030 54.507 0.523 1
1 562 . 16 1 1 A 47 47 ALA CB C 47 18.899 18.422 0.477 1
1 563 . 16 1 1 A 47 47 ALA N N 47 117.129 120.827 -3.698 1
1 564 . 16 1 1 A 48 48 LYS H H 48 8.089 7.758 0.331 1
1 565 . 16 1 1 A 48 48 LYS HA H 48 3.936 4.205 -0.269 1
1 574 . 16 1 1 A 48 48 LYS C C 48 179.130 178.592 0.538 1
1 575 . 16 1 1 A 48 48 LYS CA C 48 58.560 58.419 0.141 1
1 576 . 16 1 1 A 48 48 LYS CB C 48 33.122 33.050 0.072 1
1 580 . 16 1 1 A 48 48 LYS N N 48 115.322 118.139 -2.817 1
1 581 . 16 1 1 A 49 49 TRP H H 49 7.978 8.316 -0.338 1
1 582 . 16 1 1 A 49 49 TRP HA H 49 4.807 4.415 0.392 1
1 591 . 16 1 1 A 49 49 TRP C C 49 176.923 177.592 -0.669 1
1 592 . 16 1 1 A 49 49 TRP CA C 49 57.157 59.650 -2.493 1
1 593 . 16 1 1 A 49 49 TRP CB C 49 31.461 30.110 1.351 1
1 599 . 16 1 1 A 49 49 TRP N N 49 114.492 118.998 -4.506 1
1 601 . 16 1 1 A 50 50 PHE H H 50 7.740 8.074 -0.334 1
1 602 . 16 1 1 A 50 50 PHE HA H 50 4.925 4.728 0.197 1
1 608 . 16 1 1 A 50 50 PHE C C 50 174.160 175.307 -1.147 1
1 609 . 16 1 1 A 50 50 PHE CA C 50 57.772 57.746 0.026 1
1 610 . 16 1 1 A 50 50 PHE CB C 50 39.610 38.575 1.035 1
1 614 . 16 1 1 A 50 50 PHE N N 50 116.540 115.965 0.575 1
1 615 . 16 1 1 A 51 51 ARG H H 51 7.389 7.739 -0.350 1
1 616 . 16 1 1 A 51 51 ARG HA H 51 4.198 3.988 0.210 1
1 624 . 16 1 1 A 51 51 ARG C C 51 179.130 177.566 1.564 1
1 625 . 16 1 1 A 51 51 ARG CA C 51 58.224 58.478 -0.254 1
1 626 . 16 1 1 A 51 51 ARG CB C 51 30.032 29.756 0.276 1
1 629 . 16 1 1 A 51 51 ARG N N 51 119.136 122.149 -3.013 1
1 631 . 16 1 1 A 52 52 GLY H H 52 10.264 8.550 1.714 1
1 632 . 16 1 1 A 52 52 GLY HA2 H 52 4.180 3.924 0.256 1
1 633 . 16 1 1 A 52 52 GLY HA3 H 52 3.745 3.930 -0.185 1
1 634 . 16 1 1 A 52 52 GLY C C 52 173.980 174.310 -0.330 1
1 635 . 16 1 1 A 52 52 GLY CA C 52 45.517 46.123 -0.606 1
1 636 . 16 1 1 A 52 52 GLY N N 52 114.192 114.686 -0.494 1
1 637 . 16 1 1 A 53 53 GLN H H 53 7.597 7.702 -0.105 1
1 638 . 16 1 1 A 53 53 GLN HA H 53 4.437 4.748 -0.311 1
1 645 . 16 1 1 A 53 53 GLN C C 53 172.934 175.085 -2.151 1
1 646 . 16 1 1 A 53 53 GLN CA C 53 56.280 54.524 1.756 1
1 647 . 16 1 1 A 53 53 GLN CB C 53 29.123 30.720 -1.597 1
1 650 . 16 1 1 A 53 53 GLN N N 53 120.438 118.952 1.486 1
1 652 . 16 1 1 A 54 54 ALA H H 54 8.190 8.670 -0.480 1
1 653 . 16 1 1 A 54 54 ALA HA H 54 4.344 4.736 -0.392 1
1 657 . 16 1 1 A 54 54 ALA C C 54 177.278 176.787 0.491 1
1 658 . 16 1 1 A 54 54 ALA CA C 54 51.377 50.612 0.765 1
1 659 . 16 1 1 A 54 54 ALA CB C 54 20.525 21.726 -1.201 1
1 660 . 16 1 1 A 54 54 ALA N N 54 124.528 123.062 1.466 1
1 661 . 16 1 1 A 55 55 ASN H H 55 8.903 8.756 0.147 1
1 662 . 16 1 1 A 55 55 ASN HA H 55 4.598 4.317 0.281 1
1 667 . 16 1 1 A 55 55 ASN C C 55 174.075 174.738 -0.663 1
1 668 . 16 1 1 A 55 55 ASN CA C 55 53.986 54.280 -0.294 1
1 669 . 16 1 1 A 55 55 ASN CB C 55 37.654 36.973 0.681 1
1 671 . 16 1 1 A 55 55 ASN N N 55 113.776 114.269 -0.493 1
1 673 . 16 1 1 A 56 56 LEU H H 56 8.543 7.932 0.611 1
1 674 . 16 1 1 A 56 56 LEU HA H 56 4.677 4.402 0.275 1
1 684 . 16 1 1 A 56 56 LEU C C 56 176.806 175.720 1.086 1
1 685 . 16 1 1 A 56 56 LEU CA C 56 54.383 53.898 0.485 1
1 686 . 16 1 1 A 56 56 LEU CB C 56 45.328 41.401 3.927 1
1 690 . 16 1 1 A 56 56 LEU N N 56 117.411 119.598 -2.187 1
1 691 . 16 1 1 A 57 57 VAL H H 57 9.207 9.077 0.130 1
1 692 . 16 1 1 A 57 57 VAL HA H 57 4.633 4.495 0.138 1
1 700 . 16 1 1 A 57 57 VAL C C 57 172.465 174.052 -1.587 1
1 701 . 16 1 1 A 57 57 VAL CA C 57 59.970 61.085 -1.115 1
1 702 . 16 1 1 A 57 57 VAL CB C 57 35.376 33.218 2.158 1
1 705 . 16 1 1 A 57 57 VAL N N 57 121.448 125.233 -3.785 1
1 706 . 16 1 1 A 58 58 LEU H H 58 8.855 9.230 -0.375 1
1 707 . 16 1 1 A 58 58 LEU HA H 58 4.763 4.821 -0.058 1
1 717 . 16 1 1 A 58 58 LEU C C 58 175.349 174.752 0.597 1
1 718 . 16 1 1 A 58 58 LEU CA C 58 52.286 53.545 -1.259 1
1 719 . 16 1 1 A 58 58 LEU CB C 58 46.390 44.346 2.044 1
1 723 . 16 1 1 A 58 58 LEU N N 58 124.476 129.784 -5.308 1
1 724 . 16 1 1 A 59 59 LEU H H 59 9.265 8.767 0.498 1
1 725 . 16 1 1 A 59 59 LEU HA H 59 4.714 4.507 0.207 1
1 735 . 16 1 1 A 59 59 LEU C C 59 175.262 175.458 -0.196 1
1 736 . 16 1 1 A 59 59 LEU CA C 59 52.753 53.933 -1.180 1
1 737 . 16 1 1 A 59 59 LEU CB C 59 42.431 40.871 1.560 1
1 741 . 16 1 1 A 59 59 LEU N N 59 125.973 128.673 -2.700 1
1 742 . 16 1 1 A 60 60 ALA H H 60 8.331 8.631 -0.300 1
1 743 . 16 1 1 A 60 60 ALA HA H 60 4.739 4.764 -0.025 1
1 747 . 16 1 1 A 60 60 ALA C C 60 175.631 175.697 -0.066 1
1 748 . 16 1 1 A 60 60 ALA CA C 60 50.320 50.105 0.215 1
1 749 . 16 1 1 A 60 60 ALA CB C 60 21.744 20.481 1.263 1
1 750 . 16 1 1 A 60 60 ALA N N 60 124.617 128.263 -3.646 1
1 751 . 16 1 1 A 61 61 VAL H H 61 8.944 8.838 0.106 1
1 752 . 16 1 1 A 61 61 VAL HA H 61 4.244 4.469 -0.225 1
1 760 . 16 1 1 A 61 61 VAL C C 61 174.674 175.407 -0.733 1
1 761 . 16 1 1 A 61 61 VAL CA C 61 60.770 61.072 -0.302 1
1 762 . 16 1 1 A 61 61 VAL CB C 61 36.636 33.906 2.730 1
1 765 . 16 1 1 A 61 61 VAL N N 61 124.079 123.888 0.191 1
1 766 . 16 1 1 A 62 62 GLU H H 62 8.490 8.856 -0.366 1
1 767 . 16 1 1 A 62 62 GLU HA H 62 4.551 4.263 0.288 1
1 772 . 16 1 1 A 62 62 GLU C C 62 177.700 176.559 1.141 1
1 773 . 16 1 1 A 62 62 GLU CA C 62 56.879 56.461 0.418 1
1 774 . 16 1 1 A 62 62 GLU CB C 62 29.372 29.235 0.137 1
1 776 . 16 1 1 A 62 62 GLU N N 62 127.752 128.737 -0.985 1
1 777 . 16 1 1 A 63 63 ALA H H 63 9.173 8.457 0.716 1
1 778 . 16 1 1 A 63 63 ALA HA H 63 3.991 3.913 0.078 1
1 782 . 16 1 1 A 63 63 ALA C C 63 180.311 177.847 2.464 1
1 783 . 16 1 1 A 63 63 ALA CA C 63 54.850 55.462 -0.612 1
1 784 . 16 1 1 A 63 63 ALA CB C 63 19.495 18.679 0.816 1
1 785 . 16 1 1 A 63 63 ALA N N 63 127.466 129.986 -2.520 1
1 786 . 16 1 1 A 64 64 GLU H H 64 9.571 7.967 1.604 1
1 787 . 16 1 1 A 64 64 GLU HA H 64 4.146 4.447 -0.301 1
1 792 . 16 1 1 A 64 64 GLU C C 64 177.102 175.527 1.575 1
1 793 . 16 1 1 A 64 64 GLU CA C 64 63.532 58.186 5.346 1
1 794 . 16 1 1 A 64 64 GLU CB C 64 25.742 28.558 -2.816 1
1 796 . 16 1 1 A 64 64 GLU N N 64 120.368 114.032 6.336 1
1 797 . 16 1 1 A 65 65 PRO HA H 65 4.440 4.652 -0.212 1
1 804 . 16 1 1 A 65 65 PRO C C 65 177.332 176.610 0.722 1
1 805 . 16 1 1 A 65 65 PRO CA C 65 64.973 62.627 2.346 1
1 806 . 16 1 1 A 65 65 PRO CB C 65 31.341 29.309 2.032 1
1 809 . 16 1 1 A 66 66 LEU H H 66 7.412 8.330 -0.918 1
1 810 . 16 1 1 A 66 66 LEU HA H 66 4.023 4.174 -0.151 1
1 820 . 16 1 1 A 66 66 LEU C C 66 178.533 177.075 1.458 1
1 821 . 16 1 1 A 66 66 LEU CA C 66 55.861 56.303 -0.442 1
1 822 . 16 1 1 A 66 66 LEU CB C 66 41.349 42.047 -0.698 1
1 826 . 16 1 1 A 66 66 LEU N N 66 114.991 119.221 -4.230 1
1 827 . 16 1 1 A 67 67 GLY H H 67 7.733 7.261 0.472 1
1 828 . 16 1 1 A 67 67 GLY HA2 H 67 4.018 4.066 -0.048 1
1 829 . 16 1 1 A 67 67 GLY HA3 H 67 3.909 4.070 -0.161 1
1 830 . 16 1 1 A 67 67 GLY C C 67 175.925 174.230 1.695 1
1 831 . 16 1 1 A 67 67 GLY CA C 67 46.054 45.936 0.118 1
1 832 . 16 1 1 A 67 67 GLY N N 67 104.242 106.906 -2.664 1
1 833 . 16 1 1 A 68 68 GLU H H 68 8.887 9.044 -0.157 1
1 834 . 16 1 1 A 68 68 GLU HA H 68 4.219 4.129 0.090 1
1 839 . 16 1 1 A 68 68 GLU C C 68 176.314 177.962 -1.648 1
1 840 . 16 1 1 A 68 68 GLU CA C 68 57.652 58.754 -1.102 1
1 841 . 16 1 1 A 68 68 GLU CB C 68 29.306 29.091 0.215 1
1 843 . 16 1 1 A 68 68 GLU N N 68 121.253 120.115 1.138 1
1 844 . 16 1 1 A 69 69 ASP H H 69 7.630 8.749 -1.119 1
1 845 . 16 1 1 A 69 69 ASP HA H 69 4.587 4.583 0.004 1
1 848 . 16 1 1 A 69 69 ASP C C 69 174.665 175.832 -1.167 1
1 849 . 16 1 1 A 69 69 ASP CA C 69 56.078 55.296 0.782 1
1 850 . 16 1 1 A 69 69 ASP CB C 69 41.572 39.577 1.995 1
1 851 . 16 1 1 A 69 69 ASP N N 69 116.486 118.765 -2.279 1
1 852 . 16 1 1 A 70 70 LEU H H 70 7.433 7.201 0.232 1
1 853 . 16 1 1 A 70 70 LEU HA H 70 4.854 4.482 0.372 1
1 863 . 16 1 1 A 70 70 LEU C C 70 174.259 175.016 -0.757 1
1 864 . 16 1 1 A 70 70 LEU CA C 70 53.281 53.751 -0.470 1
1 865 . 16 1 1 A 70 70 LEU CB C 70 43.024 43.408 -0.384 1
1 869 . 16 1 1 A 70 70 LEU N N 70 121.585 121.702 -0.117 1
1 870 . 16 1 1 A 71 71 LYS H H 71 9.114 8.600 0.514 1
1 871 . 16 1 1 A 71 71 LYS HA H 71 4.724 4.967 -0.243 1
1 880 . 16 1 1 A 71 71 LYS C C 71 175.146 175.533 -0.387 1
1 881 . 16 1 1 A 71 71 LYS CA C 71 54.024 54.447 -0.423 1
1 882 . 16 1 1 A 71 71 LYS CB C 71 35.469 35.902 -0.433 1
1 886 . 16 1 1 A 71 71 LYS N N 71 126.179 127.685 -1.506 1
1 887 . 16 1 1 A 72 72 TRP H H 72 8.981 8.908 0.073 1
1 888 . 16 1 1 A 72 72 TRP HA H 72 4.720 4.687 0.033 1
1 897 . 16 1 1 A 72 72 TRP C C 72 176.394 175.838 0.556 1
1 898 . 16 1 1 A 72 72 TRP CA C 72 55.876 56.962 -1.086 1
1 899 . 16 1 1 A 72 72 TRP CB C 72 27.789 28.311 -0.522 1
1 905 . 16 1 1 A 72 72 TRP N N 72 125.904 128.204 -2.300 1
1 907 . 16 1 1 A 73 73 GLU H H 73 8.558 9.030 -0.472 1
1 908 . 16 1 1 A 73 73 GLU HA H 73 4.762 4.544 0.218 1
1 913 . 16 1 1 A 73 73 GLU C C 73 175.459 175.458 0.001 1
1 914 . 16 1 1 A 73 73 GLU CA C 73 55.208 56.414 -1.206 1
1 915 . 16 1 1 A 73 73 GLU CB C 73 32.615 30.374 2.241 1
1 917 . 16 1 1 A 73 73 GLU N N 73 123.290 125.894 -2.604 1
1 918 . 16 1 1 A 74 74 ALA H H 74 8.962 8.760 0.202 1
1 919 . 16 1 1 A 74 74 ALA HA H 74 4.738 5.107 -0.369 1
1 923 . 16 1 1 A 74 74 ALA C C 74 177.803 176.951 0.852 1
1 924 . 16 1 1 A 74 74 ALA CA C 74 52.246 50.649 1.597 1
1 925 . 16 1 1 A 74 74 ALA CB C 74 20.070 19.983 0.087 1
1 926 . 16 1 1 A 74 74 ALA N N 74 127.315 129.155 -1.840 1
1 927 . 16 1 1 A 75 75 SER H H 75 8.762 9.013 -0.251 1
1 928 . 16 1 1 A 75 75 SER HA H 75 4.850 4.514 0.336 1
1 931 . 16 1 1 A 75 75 SER C C 75 176.080 174.372 1.708 1
1 932 . 16 1 1 A 75 75 SER CA C 75 56.954 58.778 -1.824 1
1 933 . 16 1 1 A 75 75 SER CB C 75 65.244 63.787 1.457 1
1 934 . 16 1 1 A 75 75 SER N N 75 117.745 119.810 -2.065 1
1 935 . 16 1 1 A 76 76 ARG HA H 76 4.193 4.113 0.080 1
1 943 . 16 1 1 A 76 76 ARG CA C 76 58.895 57.750 1.145 1
1 944 . 16 1 1 A 76 76 ARG CB C 76 29.877 29.945 -0.068 1
1 947 . 16 1 1 A 77 77 GLY C C 77 175.277 173.078 2.199 1
1 948 . 16 1 1 A 78 78 GLY H H 78 8.045 7.683 0.362 1
1 949 . 16 1 1 A 78 78 GLY HA2 H 78 4.390 4.155 0.235 1
1 950 . 16 1 1 A 78 78 GLY HA3 H 78 3.786 4.167 -0.381 1
1 951 . 16 1 1 A 78 78 GLY C C 78 173.503 173.333 0.170 1
1 952 . 16 1 1 A 78 78 GLY CA C 78 45.296 45.933 -0.637 1
1 953 . 16 1 1 A 78 78 GLY N N 78 110.323 103.771 6.552 1
1 954 . 16 1 1 A 79 79 ALA H H 79 7.879 8.621 -0.742 1
1 955 . 16 1 1 A 79 79 ALA HA H 79 4.357 3.925 0.432 1
1 959 . 16 1 1 A 79 79 ALA C C 79 176.674 175.541 1.133 1
1 960 . 16 1 1 A 79 79 ALA CA C 79 52.151 54.310 -2.159 1
1 961 . 16 1 1 A 79 79 ALA CB C 79 20.171 17.584 2.587 1
1 962 . 16 1 1 A 79 79 ALA N N 79 123.865 122.068 1.797 1
1 963 . 16 1 1 A 80 80 ARG H H 80 8.375 8.550 -0.175 1
1 964 . 16 1 1 A 80 80 ARG HA H 80 4.629 4.993 -0.364 1
1 972 . 16 1 1 A 80 80 ARG C C 80 175.713 174.515 1.198 1
1 973 . 16 1 1 A 80 80 ARG CA C 80 55.622 54.647 0.975 1
1 974 . 16 1 1 A 80 80 ARG CB C 80 32.074 33.040 -0.966 1
1 977 . 16 1 1 A 80 80 ARG N N 80 119.145 118.948 0.197 1
1 979 . 16 1 1 A 81 81 PHE H H 81 8.722 9.025 -0.303 1
1 980 . 16 1 1 A 81 81 PHE HA H 81 5.156 5.085 0.071 1
1 988 . 16 1 1 A 81 81 PHE C C 81 172.806 173.540 -0.734 1
1 989 . 16 1 1 A 81 81 PHE CA C 81 54.950 54.637 0.313 1
1 990 . 16 1 1 A 81 81 PHE CB C 81 42.240 39.575 2.665 1
1 996 . 16 1 1 A 81 81 PHE N N 81 123.774 121.845 1.929 1
1 997 . 16 1 1 A 82 82 PRO HA H 82 3.635 4.224 -0.589 1
1 1004 . 16 1 1 A 82 82 PRO C C 82 174.511 175.597 -1.086 1
1 1005 . 16 1 1 A 82 82 PRO CA C 82 61.347 62.288 -0.941 1
1 1006 . 16 1 1 A 82 82 PRO CB C 82 29.495 30.795 -1.300 1
1 1009 . 16 1 1 A 83 83 HIS H H 83 8.831 8.684 0.147 1
1 1010 . 16 1 1 A 83 83 HIS HA H 83 5.330 4.729 0.601 1
1 1014 . 16 1 1 A 83 83 HIS C C 83 172.952 173.547 -0.595 1
1 1015 . 16 1 1 A 83 83 HIS CA C 83 50.700 55.068 -4.368 1
1 1016 . 16 1 1 A 83 83 HIS CB C 83 33.238 31.259 1.979 1
1 1018 . 16 1 1 A 83 83 HIS N N 83 124.483 123.236 1.247 1
1 1019 . 16 1 1 A 84 84 LEU H H 84 9.063 8.765 0.298 1
1 1020 . 16 1 1 A 84 84 LEU HA H 84 5.163 4.606 0.557 1
1 1030 . 16 1 1 A 84 84 LEU C C 84 176.699 175.337 1.362 1
1 1031 . 16 1 1 A 84 84 LEU CA C 84 53.829 53.253 0.576 1
1 1032 . 16 1 1 A 84 84 LEU CB C 84 45.366 43.428 1.938 1
1 1036 . 16 1 1 A 84 84 LEU N N 84 125.218 125.992 -0.774 1
1 1037 . 16 1 1 A 85 85 TYR H H 85 9.058 8.640 0.418 1
1 1038 . 16 1 1 A 85 85 TYR HA H 85 4.508 4.562 -0.054 1
1 1045 . 16 1 1 A 85 85 TYR C C 85 173.624 175.014 -1.390 1
1 1046 . 16 1 1 A 85 85 TYR CA C 85 60.034 56.462 3.572 1
1 1047 . 16 1 1 A 85 85 TYR CB C 85 36.073 35.906 0.167 1
1 1052 . 16 1 1 A 85 85 TYR N N 85 131.339 127.795 3.544 1
1 1053 . 16 1 1 A 86 86 ARG H H 86 7.432 7.690 -0.258 1
1 1054 . 16 1 1 A 86 86 ARG HA H 86 4.682 4.950 -0.268 1
1 1062 . 16 1 1 A 86 86 ARG C C 86 171.917 173.673 -1.756 1
1 1063 . 16 1 1 A 86 86 ARG CA C 86 54.953 53.103 1.850 1
1 1064 . 16 1 1 A 86 86 ARG CB C 86 28.209 32.614 -4.405 1
1 1067 . 16 1 1 A 86 86 ARG N N 86 114.399 119.150 -4.751 1
1 1069 . 16 1 1 A 87 87 PRO HA H 87 4.303 4.859 -0.556 1
1 1076 . 16 1 1 A 87 87 PRO C C 87 175.771 176.407 -0.636 1
1 1077 . 16 1 1 A 87 87 PRO CA C 87 63.497 62.527 0.970 1
1 1078 . 16 1 1 A 87 87 PRO CB C 87 32.253 31.675 0.578 1
1 1081 . 16 1 1 A 88 88 LEU H H 88 8.095 8.177 -0.082 1
1 1082 . 16 1 1 A 88 88 LEU HA H 88 4.286 4.491 -0.205 1
1 1092 . 16 1 1 A 88 88 LEU C C 88 175.946 176.468 -0.522 1
1 1093 . 16 1 1 A 88 88 LEU CA C 88 53.675 54.519 -0.844 1
1 1094 . 16 1 1 A 88 88 LEU CB C 88 45.548 41.595 3.953 1
1 1098 . 16 1 1 A 88 88 LEU N N 88 125.942 124.501 1.441 1
1 1099 . 16 1 1 A 89 89 LEU H H 89 9.224 8.783 0.441 1
1 1100 . 16 1 1 A 89 89 LEU HA H 89 4.561 4.153 0.408 1
1 1110 . 16 1 1 A 89 89 LEU C C 89 179.295 177.131 2.164 1
1 1111 . 16 1 1 A 89 89 LEU CA C 89 55.212 54.601 0.611 1
1 1112 . 16 1 1 A 89 89 LEU CB C 89 41.460 41.097 0.363 1
1 1116 . 16 1 1 A 89 89 LEU N N 89 128.295 125.569 2.726 1
1 1117 . 16 1 1 A 90 90 VAL H H 90 7.665 9.585 -1.920 1
1 1118 . 16 1 1 A 90 90 VAL HA H 90 3.785 3.843 -0.058 1
1 1126 . 16 1 1 A 90 90 VAL C C 90 178.510 175.316 3.194 1
1 1127 . 16 1 1 A 90 90 VAL CA C 90 66.833 63.705 3.128 1
1 1128 . 16 1 1 A 90 90 VAL CB C 90 31.330 30.161 1.169 1
1 1131 . 16 1 1 A 90 90 VAL N N 90 122.696 125.786 -3.090 1
1 1132 . 16 1 1 A 91 91 SER H H 91 8.134 8.282 -0.148 1
1 1133 . 16 1 1 A 91 91 SER HA H 91 4.280 4.230 0.050 1
1 1136 . 16 1 1 A 91 91 SER C C 91 175.328 173.685 1.643 1
1 1137 . 16 1 1 A 91 91 SER CA C 91 59.822 59.386 0.436 1
1 1138 . 16 1 1 A 91 91 SER CB C 91 62.512 61.117 1.395 1
1 1139 . 16 1 1 A 91 91 SER N N 91 112.443 109.022 3.421 1
1 1140 . 16 1 1 A 92 92 GLU H H 92 7.598 8.823 -1.225 1
1 1141 . 16 1 1 A 92 92 GLU HA H 92 4.221 3.964 0.257 1
1 1146 . 16 1 1 A 92 92 GLU C C 92 175.722 175.803 -0.081 1
1 1147 . 16 1 1 A 92 92 GLU CA C 92 56.594 57.560 -0.966 1
1 1148 . 16 1 1 A 92 92 GLU CB C 92 29.511 27.669 1.842 1
1 1150 . 16 1 1 A 92 92 GLU N N 92 120.359 111.848 8.511 1
1 1151 . 16 1 1 A 93 93 VAL H H 93 7.486 7.874 -0.388 1
1 1152 . 16 1 1 A 93 93 VAL HA H 93 4.046 4.019 0.027 1
1 1160 . 16 1 1 A 93 93 VAL C C 93 176.093 175.479 0.614 1
1 1161 . 16 1 1 A 93 93 VAL CA C 93 63.242 63.376 -0.134 1
1 1162 . 16 1 1 A 93 93 VAL CB C 93 32.306 31.016 1.290 1
1 1165 . 16 1 1 A 93 93 VAL N N 93 121.222 119.642 1.580 1
1 1166 . 16 1 1 A 94 94 THR H H 94 9.003 8.769 0.234 1
1 1167 . 16 1 1 A 94 94 THR HA H 94 4.264 4.200 0.064 1
1 1172 . 16 1 1 A 94 94 THR C C 94 174.664 174.390 0.274 1
1 1173 . 16 1 1 A 94 94 THR CA C 94 64.438 64.381 0.057 1
1 1174 . 16 1 1 A 94 94 THR CB C 94 69.317 69.053 0.264 1
1 1176 . 16 1 1 A 94 94 THR N N 94 124.794 123.317 1.477 1
1 1177 . 16 1 1 A 95 95 ARG H H 95 7.514 7.867 -0.353 1
1 1178 . 16 1 1 A 95 95 ARG HA H 95 4.646 4.885 -0.239 1
1 1186 . 16 1 1 A 95 95 ARG C C 95 172.989 174.398 -1.409 1
1 1187 . 16 1 1 A 95 95 ARG CA C 95 55.872 53.999 1.873 1
1 1188 . 16 1 1 A 95 95 ARG CB C 95 33.789 33.432 0.357 1
1 1191 . 16 1 1 A 95 95 ARG N N 95 118.660 119.728 -1.068 1
1 1193 . 16 1 1 A 96 96 GLU H H 96 8.545 9.001 -0.456 1
1 1194 . 16 1 1 A 96 96 GLU HA H 96 5.329 5.331 -0.002 1
1 1199 . 16 1 1 A 96 96 GLU C C 96 174.480 175.413 -0.933 1
1 1200 . 16 1 1 A 96 96 GLU CA C 96 53.415 54.948 -1.533 1
1 1201 . 16 1 1 A 96 96 GLU CB C 96 33.592 33.197 0.395 1
1 1203 . 16 1 1 A 96 96 GLU N N 96 121.828 125.911 -4.083 1
1 1204 . 16 1 1 A 97 97 ALA H H 97 8.276 8.188 0.088 1
1 1205 . 16 1 1 A 97 97 ALA HA H 97 4.537 4.867 -0.330 1
1 1209 . 16 1 1 A 97 97 ALA C C 97 175.233 175.660 -0.427 1
1 1210 . 16 1 1 A 97 97 ALA CA C 97 51.368 51.145 0.223 1
1 1211 . 16 1 1 A 97 97 ALA CB C 97 22.101 23.230 -1.129 1
1 1212 . 16 1 1 A 97 97 ALA N N 97 123.211 128.408 -5.197 1
1 1213 . 16 1 1 A 98 98 ASP H H 98 8.399 8.591 -0.192 1
1 1214 . 16 1 1 A 98 98 ASP HA H 98 4.850 4.853 -0.003 1
1 1217 . 16 1 1 A 98 98 ASP C C 98 176.085 175.979 0.106 1
1 1218 . 16 1 1 A 98 98 ASP CA C 98 54.824 54.347 0.477 1
1 1219 . 16 1 1 A 98 98 ASP CB C 98 41.694 41.477 0.217 1
1 1220 . 16 1 1 A 98 98 ASP N N 98 122.093 121.041 1.052 1
1 1221 . 16 1 1 A 99 99 LEU H H 99 7.854 8.211 -0.357 1
1 1222 . 16 1 1 A 99 99 LEU HA H 99 4.766 4.411 0.355 1
1 1232 . 16 1 1 A 99 99 LEU C C 99 176.250 175.421 0.829 1
1 1233 . 16 1 1 A 99 99 LEU CA C 99 53.544 55.963 -2.419 1
1 1234 . 16 1 1 A 99 99 LEU CB C 99 44.229 42.316 1.913 1
1 1238 . 16 1 1 A 99 99 LEU N N 99 120.272 126.955 -6.683 1
1 1239 . 16 1 1 A 100 100 ASP H H 100 9.215 8.710 0.505 1
1 1240 . 16 1 1 A 100 100 ASP HA H 100 4.935 4.961 -0.026 1
1 1243 . 16 1 1 A 100 100 ASP C C 100 174.956 175.389 -0.433 1
1 1244 . 16 1 1 A 100 100 ASP CA C 100 52.684 53.614 -0.930 1
1 1245 . 16 1 1 A 100 100 ASP CB C 100 43.362 41.848 1.514 1
1 1246 . 16 1 1 A 100 100 ASP N N 100 123.325 126.913 -3.588 1
1 1247 . 16 1 1 A 101 101 LEU H H 101 8.526 8.902 -0.376 1
1 1248 . 16 1 1 A 101 101 LEU HA H 101 4.639 4.867 -0.228 1
1 1258 . 16 1 1 A 101 101 LEU C C 101 178.204 176.685 1.519 1
1 1259 . 16 1 1 A 101 101 LEU CA C 101 53.490 53.875 -0.385 1
1 1260 . 16 1 1 A 101 101 LEU CB C 101 44.374 43.477 0.897 1
1 1264 . 16 1 1 A 101 101 LEU N N 101 118.539 125.323 -6.784 1
1 1265 . 16 1 1 A 102 102 ASP H H 102 8.029 7.982 0.047 1
1 1266 . 16 1 1 A 102 102 ASP HA H 102 4.615 4.902 -0.287 1
1 1269 . 16 1 1 A 102 102 ASP C C 102 178.176 178.356 -0.180 1
1 1270 . 16 1 1 A 102 102 ASP CA C 102 52.297 51.782 0.515 1
1 1271 . 16 1 1 A 102 102 ASP CB C 102 41.108 42.167 -1.059 1
1 1272 . 16 1 1 A 102 102 ASP N N 102 121.008 120.838 0.170 1
1 1273 . 16 1 1 A 103 103 ALA H H 103 8.384 8.611 -0.227 1
1 1274 . 16 1 1 A 103 103 ALA HA H 103 4.099 4.151 -0.052 1
1 1278 . 16 1 1 A 103 103 ALA C C 103 178.527 177.642 0.885 1
1 1279 . 16 1 1 A 103 103 ALA CA C 103 54.648 53.996 0.652 1
1 1280 . 16 1 1 A 103 103 ALA CB C 103 18.604 18.578 0.026 1
1 1281 . 16 1 1 A 103 103 ALA N N 103 120.139 120.920 -0.781 1
1 1282 . 16 1 1 A 104 104 ASP H H 104 8.033 7.627 0.406 1
1 1283 . 16 1 1 A 104 104 ASP HA H 104 4.811 4.766 0.045 1
1 1286 . 16 1 1 A 104 104 ASP C C 104 176.113 176.904 -0.791 1
1 1287 . 16 1 1 A 104 104 ASP CA C 104 54.077 53.865 0.212 1
1 1288 . 16 1 1 A 104 104 ASP CB C 104 41.899 42.053 -0.154 1
1 1289 . 16 1 1 A 104 104 ASP N N 104 116.590 116.727 -0.137 1
1 1290 . 16 1 1 A 105 105 GLY H H 105 8.196 8.058 0.138 1
1 1291 . 16 1 1 A 105 105 GLY HA2 H 105 4.293 3.974 0.319 1
1 1292 . 16 1 1 A 105 105 GLY HA3 H 105 3.657 3.975 -0.318 1
1 1293 . 16 1 1 A 105 105 GLY C C 105 173.635 174.399 -0.764 1
1 1294 . 16 1 1 A 105 105 GLY CA C 105 45.741 45.312 0.429 1
1 1295 . 16 1 1 A 105 105 GLY N N 105 107.882 106.872 1.010 1
1 1296 . 16 1 1 A 106 106 VAL H H 106 8.886 7.954 0.932 1
1 1297 . 16 1 1 A 106 106 VAL HA H 106 4.082 4.382 -0.300 1
1 1305 . 16 1 1 A 106 106 VAL C C 106 175.529 174.756 0.773 1
1 1306 . 16 1 1 A 106 106 VAL CA C 106 61.360 59.239 2.121 1
1 1307 . 16 1 1 A 106 106 VAL CB C 106 32.373 33.153 -0.780 1
1 1310 . 16 1 1 A 106 106 VAL N N 106 125.585 122.230 3.355 1
1 1311 . 16 1 1 A 107 107 PRO HA H 107 4.737 4.592 0.145 1
1 1318 . 16 1 1 A 107 107 PRO C C 107 176.029 176.677 -0.648 1
1 1319 . 16 1 1 A 107 107 PRO CA C 107 62.674 63.152 -0.478 1
1 1320 . 16 1 1 A 107 107 PRO CB C 107 31.789 31.654 0.135 1
1 1323 . 16 1 1 A 108 108 GLN H H 108 8.563 8.891 -0.328 1
1 1324 . 16 1 1 A 108 108 GLN HA H 108 4.498 4.414 0.084 1
1 1331 . 16 1 1 A 108 108 GLN C C 108 176.218 175.791 0.427 1
1 1332 . 16 1 1 A 108 108 GLN CA C 108 54.901 54.892 0.009 1
1 1333 . 16 1 1 A 108 108 GLN CB C 108 29.514 27.091 2.423 1
1 1336 . 16 1 1 A 108 108 GLN N N 108 122.641 122.555 0.086 1
1 1338 . 16 1 1 A 109 109 LEU H H 109 8.853 8.088 0.765 1
1 1339 . 16 1 1 A 109 109 LEU HA H 109 4.330 4.480 -0.150 1
1 1349 . 16 1 1 A 109 109 LEU C C 109 178.151 178.961 -0.810 1
1 1350 . 16 1 1 A 109 109 LEU CA C 109 56.522 56.750 -0.228 1
1 1351 . 16 1 1 A 109 109 LEU CB C 109 41.883 41.521 0.362 1
1 1355 . 16 1 1 A 109 109 LEU N N 109 125.974 125.676 0.298 1
1 1356 . 16 1 1 A 110 110 GLY H H 110 8.809 8.315 0.494 1
1 1357 . 16 1 1 A 110 110 GLY HA2 H 110 3.952 3.768 0.184 1
1 1358 . 16 1 1 A 110 110 GLY HA3 H 110 3.551 3.774 -0.223 1
1 1359 . 16 1 1 A 110 110 GLY C C 110 176.002 175.546 0.456 1
1 1360 . 16 1 1 A 110 110 GLY CA C 110 48.748 47.099 1.649 1
1 1361 . 16 1 1 A 110 110 GLY N N 110 109.442 106.722 2.720 1
1 1362 . 16 1 1 A 111 111 ASP H H 111 8.674 8.130 0.544 1
1 1363 . 16 1 1 A 111 111 ASP HA H 111 4.317 4.423 -0.106 1
1 1366 . 16 1 1 A 111 111 ASP C C 111 177.159 178.442 -1.283 1
1 1367 . 16 1 1 A 111 111 ASP CA C 111 56.239 56.747 -0.508 1
1 1368 . 16 1 1 A 111 111 ASP CB C 111 39.791 40.804 -1.013 1
1 1369 . 16 1 1 A 111 111 ASP N N 111 119.503 121.614 -2.111 1
1 1370 . 16 1 1 A 112 112 HIS H H 112 7.471 7.513 -0.042 1
1 1371 . 16 1 1 A 112 112 HIS HA H 112 4.481 4.378 0.103 1
1 1376 . 16 1 1 A 112 112 HIS C C 112 177.121 175.919 1.202 1
1 1377 . 16 1 1 A 112 112 HIS CA C 112 56.692 59.335 -2.643 1
1 1378 . 16 1 1 A 112 112 HIS CB C 112 31.648 31.087 0.561 1
1 1381 . 16 1 1 A 112 112 HIS N N 112 116.681 115.628 1.053 1
1 1382 . 16 1 1 A 113 113 LEU H H 113 7.526 7.605 -0.079 1
1 1383 . 16 1 1 A 113 113 LEU HA H 113 4.148 4.297 -0.149 1
1 1393 . 16 1 1 A 113 113 LEU C C 113 177.363 176.648 0.715 1
1 1394 . 16 1 1 A 113 113 LEU CA C 113 55.509 54.544 0.965 1
1 1395 . 16 1 1 A 113 113 LEU CB C 113 42.009 42.171 -0.162 1
1 1399 . 16 1 1 A 113 113 LEU N N 113 118.976 118.347 0.629 1
1 1400 . 16 1 1 A 114 114 ALA H H 114 7.648 8.490 -0.842 1
1 1401 . 16 1 1 A 114 114 ALA HA H 114 4.227 4.469 -0.242 1
1 1405 . 16 1 1 A 114 114 ALA C C 114 177.692 176.787 0.905 1
1 1406 . 16 1 1 A 114 114 ALA CA C 114 52.828 51.905 0.923 1
1 1407 . 16 1 1 A 114 114 ALA CB C 114 18.497 18.779 -0.282 1
1 1408 . 16 1 1 A 114 114 ALA N N 114 121.893 124.994 -3.101 1
1 1409 . 16 1 1 A 115 115 LEU H H 115 7.764 8.120 -0.356 1
1 1410 . 16 1 1 A 115 115 LEU HA H 115 4.146 4.265 -0.119 1
1 1420 . 16 1 1 A 115 115 LEU C C 115 177.819 176.653 1.166 1
1 1421 . 16 1 1 A 115 115 LEU CA C 115 55.771 55.032 0.739 1
1 1422 . 16 1 1 A 115 115 LEU CB C 115 42.000 41.928 0.072 1
1 1426 . 16 1 1 A 115 115 LEU N N 115 119.576 124.681 -5.105 1
1 12 . 17 1 1 A 2 2 THR HA H 2 3.833 4.494 -0.661 1
1 17 . 17 1 1 A 2 2 THR C C 2 170.665 173.872 -3.207 1
1 18 . 17 1 1 A 2 2 THR CA C 2 62.154 60.466 1.688 1
1 19 . 17 1 1 A 2 2 THR CB C 2 69.580 71.295 -1.715 1
1 21 . 17 1 1 A 3 3 LEU H H 3 9.068 8.555 0.513 1
1 22 . 17 1 1 A 3 3 LEU HA H 3 4.887 4.932 -0.045 1
1 32 . 17 1 1 A 3 3 LEU C C 3 175.859 176.567 -0.708 1
1 33 . 17 1 1 A 3 3 LEU CA C 3 54.426 53.530 0.896 1
1 34 . 17 1 1 A 3 3 LEU CB C 3 43.222 43.518 -0.296 1
1 38 . 17 1 1 A 3 3 LEU N N 3 129.030 121.309 7.721 1
1 39 . 17 1 1 A 4 4 ILE H H 4 8.897 9.064 -0.167 1
1 40 . 17 1 1 A 4 4 ILE HA H 4 4.753 4.976 -0.223 1
1 50 . 17 1 1 A 4 4 ILE C C 4 174.211 173.723 0.488 1
1 51 . 17 1 1 A 4 4 ILE CA C 4 59.998 59.210 0.788 1
1 52 . 17 1 1 A 4 4 ILE CB C 4 41.129 40.523 0.606 1
1 56 . 17 1 1 A 4 4 ILE N N 4 115.702 121.180 -5.478 1
1 57 . 17 1 1 A 5 5 TYR H H 5 9.050 9.101 -0.051 1
1 58 . 17 1 1 A 5 5 TYR HA H 5 5.770 5.695 0.075 1
1 65 . 17 1 1 A 5 5 TYR C C 5 175.987 174.362 1.625 1
1 66 . 17 1 1 A 5 5 TYR CA C 5 57.923 56.063 1.860 1
1 67 . 17 1 1 A 5 5 TYR CB C 5 42.963 41.873 1.090 1
1 72 . 17 1 1 A 5 5 TYR N N 5 114.414 122.338 -7.924 1
1 73 . 17 1 1 A 6 6 LYS H H 6 8.858 8.715 0.143 1
1 74 . 17 1 1 A 6 6 LYS HA H 6 4.813 4.967 -0.154 1
1 83 . 17 1 1 A 6 6 LYS C C 6 172.801 174.828 -2.027 1
1 84 . 17 1 1 A 6 6 LYS CA C 6 52.969 54.711 -1.742 1
1 85 . 17 1 1 A 6 6 LYS CB C 6 37.109 35.764 1.345 1
1 89 . 17 1 1 A 6 6 LYS N N 6 121.597 123.343 -1.746 1
1 90 . 17 1 1 A 7 7 ILE H H 7 8.277 8.837 -0.560 1
1 91 . 17 1 1 A 7 7 ILE HA H 7 4.702 4.804 -0.102 1
1 101 . 17 1 1 A 7 7 ILE C C 7 173.742 174.613 -0.871 1
1 102 . 17 1 1 A 7 7 ILE CA C 7 60.340 60.319 0.021 1
1 103 . 17 1 1 A 7 7 ILE CB C 7 38.941 38.289 0.652 1
1 107 . 17 1 1 A 7 7 ILE N N 7 128.212 128.362 -0.150 1
1 108 . 17 1 1 A 8 8 LEU H H 8 8.627 8.452 0.175 1
1 109 . 17 1 1 A 8 8 LEU HA H 8 4.757 4.391 0.366 1
1 119 . 17 1 1 A 8 8 LEU C C 8 173.661 175.392 -1.731 1
1 120 . 17 1 1 A 8 8 LEU CA C 8 54.530 53.289 1.241 1
1 121 . 17 1 1 A 8 8 LEU CB C 8 43.617 45.234 -1.617 1
1 125 . 17 1 1 A 8 8 LEU N N 8 126.590 124.177 2.413 1
1 126 . 17 1 1 A 9 9 SER H H 9 8.546 8.926 -0.380 1
1 127 . 17 1 1 A 9 9 SER HA H 9 4.765 4.612 0.153 1
1 130 . 17 1 1 A 9 9 SER C C 9 175.160 175.274 -0.114 1
1 131 . 17 1 1 A 9 9 SER CA C 9 58.520 57.539 0.981 1
1 132 . 17 1 1 A 9 9 SER CB C 9 65.227 65.070 0.157 1
1 133 . 17 1 1 A 9 9 SER N N 9 115.543 116.016 -0.473 1
1 134 . 17 1 1 A 10 10 ARG H H 10 9.080 8.627 0.453 1
1 135 . 17 1 1 A 10 10 ARG HA H 10 4.037 4.034 0.003 1
1 143 . 17 1 1 A 10 10 ARG C C 10 177.847 177.978 -0.131 1
1 144 . 17 1 1 A 10 10 ARG CA C 10 59.210 59.695 -0.485 1
1 145 . 17 1 1 A 10 10 ARG CB C 10 28.776 29.723 -0.947 1
1 148 . 17 1 1 A 10 10 ARG N N 10 123.688 122.517 1.171 1
1 150 . 17 1 1 A 11 11 ALA H H 11 8.753 8.161 0.592 1
1 151 . 17 1 1 A 11 11 ALA HA H 11 4.248 4.068 0.180 1
1 155 . 17 1 1 A 11 11 ALA C C 11 181.848 180.101 1.747 1
1 156 . 17 1 1 A 11 11 ALA CA C 11 55.483 55.406 0.077 1
1 157 . 17 1 1 A 11 11 ALA CB C 11 18.209 18.368 -0.159 1
1 158 . 17 1 1 A 11 11 ALA N N 11 119.698 122.012 -2.314 1
1 159 . 17 1 1 A 12 12 GLU H H 12 7.957 7.843 0.114 1
1 160 . 17 1 1 A 12 12 GLU HA H 12 4.183 4.019 0.164 1
1 165 . 17 1 1 A 12 12 GLU C C 12 179.576 179.477 0.099 1
1 166 . 17 1 1 A 12 12 GLU CA C 12 59.103 59.406 -0.303 1
1 167 . 17 1 1 A 12 12 GLU CB C 12 31.077 29.533 1.544 1
1 169 . 17 1 1 A 12 12 GLU N N 12 118.210 117.556 0.654 1
1 170 . 17 1 1 A 13 13 TRP H H 13 8.585 7.919 0.666 1
1 171 . 17 1 1 A 13 13 TRP HA H 13 4.937 4.013 0.924 1
1 180 . 17 1 1 A 13 13 TRP C C 13 176.827 177.666 -0.839 1
1 181 . 17 1 1 A 13 13 TRP CA C 13 57.845 60.602 -2.757 1
1 182 . 17 1 1 A 13 13 TRP CB C 13 31.010 29.363 1.647 1
1 188 . 17 1 1 A 13 13 TRP N N 13 123.646 122.378 1.268 1
1 190 . 17 1 1 A 14 14 ASP H H 14 9.260 8.622 0.638 1
1 191 . 17 1 1 A 14 14 ASP HA H 14 4.048 4.049 -0.001 1
1 194 . 17 1 1 A 14 14 ASP C C 14 180.120 177.915 2.205 1
1 195 . 17 1 1 A 14 14 ASP CA C 14 57.767 57.456 0.311 1
1 196 . 17 1 1 A 14 14 ASP CB C 14 39.467 41.360 -1.893 1
1 197 . 17 1 1 A 14 14 ASP N N 14 120.253 119.217 1.036 1
1 198 . 17 1 1 A 15 15 ALA H H 15 7.599 8.165 -0.566 1
1 199 . 17 1 1 A 15 15 ALA HA H 15 4.163 3.944 0.219 1
1 203 . 17 1 1 A 15 15 ALA C C 15 180.115 179.779 0.336 1
1 204 . 17 1 1 A 15 15 ALA CA C 15 55.016 55.103 -0.087 1
1 205 . 17 1 1 A 15 15 ALA CB C 15 17.871 18.140 -0.269 1
1 206 . 17 1 1 A 15 15 ALA N N 15 122.164 121.127 1.037 1
1 207 . 17 1 1 A 16 16 ALA H H 16 7.944 8.010 -0.066 1
1 208 . 17 1 1 A 16 16 ALA HA H 16 4.334 3.989 0.345 1
1 212 . 17 1 1 A 16 16 ALA C C 16 180.101 179.218 0.883 1
1 213 . 17 1 1 A 16 16 ALA CA C 16 54.659 55.080 -0.421 1
1 214 . 17 1 1 A 16 16 ALA CB C 16 19.107 18.470 0.637 1
1 215 . 17 1 1 A 16 16 ALA N N 16 122.526 119.636 2.890 1
1 216 . 17 1 1 A 17 17 LYS H H 17 8.317 7.849 0.468 1
1 217 . 17 1 1 A 17 17 LYS HA H 17 3.462 3.637 -0.175 1
1 226 . 17 1 1 A 17 17 LYS C C 17 179.126 178.279 0.847 1
1 227 . 17 1 1 A 17 17 LYS CA C 17 60.077 58.665 1.412 1
1 228 . 17 1 1 A 17 17 LYS CB C 17 31.431 31.863 -0.432 1
1 232 . 17 1 1 A 17 17 LYS N N 17 117.572 118.530 -0.958 1
1 233 . 17 1 1 A 18 18 ALA H H 18 7.296 7.985 -0.689 1
1 234 . 17 1 1 A 18 18 ALA HA H 18 4.100 4.024 0.076 1
1 238 . 17 1 1 A 18 18 ALA C C 18 178.940 179.362 -0.422 1
1 239 . 17 1 1 A 18 18 ALA CA C 18 54.513 54.759 -0.246 1
1 240 . 17 1 1 A 18 18 ALA CB C 18 18.132 18.118 0.014 1
1 241 . 17 1 1 A 18 18 ALA N N 18 119.644 120.340 -0.696 1
1 242 . 17 1 1 A 19 19 GLN H H 19 7.443 7.974 -0.531 1
1 243 . 17 1 1 A 19 19 GLN HA H 19 4.535 4.275 0.260 1
1 250 . 17 1 1 A 19 19 GLN C C 19 176.607 176.626 -0.019 1
1 251 . 17 1 1 A 19 19 GLN CA C 19 55.755 55.959 -0.204 1
1 252 . 17 1 1 A 19 19 GLN CB C 19 30.075 28.951 1.124 1
1 255 . 17 1 1 A 19 19 GLN N N 19 113.538 115.495 -1.957 1
1 257 . 17 1 1 A 20 20 GLY H H 20 8.277 9.423 -1.146 1
1 258 . 17 1 1 A 20 20 GLY HA2 H 20 4.450 3.865 0.585 1
1 259 . 17 1 1 A 20 20 GLY HA3 H 20 3.627 3.880 -0.253 1
1 260 . 17 1 1 A 20 20 GLY C C 20 174.006 173.401 0.605 1
1 261 . 17 1 1 A 20 20 GLY CA C 20 45.567 45.615 -0.048 1
1 262 . 17 1 1 A 20 20 GLY N N 20 108.233 109.471 -1.238 1
1 263 . 17 1 1 A 21 21 ARG H H 21 7.786 7.527 0.259 1
1 264 . 17 1 1 A 21 21 ARG HA H 21 5.123 4.971 0.152 1
1 272 . 17 1 1 A 21 21 ARG C C 21 171.553 174.367 -2.814 1
1 273 . 17 1 1 A 21 21 ARG CA C 21 54.882 54.315 0.567 1
1 274 . 17 1 1 A 21 21 ARG CB C 21 32.114 33.258 -1.144 1
1 277 . 17 1 1 A 21 21 ARG N N 21 116.837 115.706 1.131 1
1 279 . 17 1 1 A 22 22 PHE H H 22 9.821 9.064 0.757 1
1 280 . 17 1 1 A 22 22 PHE HA H 22 5.185 5.465 -0.280 1
1 285 . 17 1 1 A 22 22 PHE C C 22 173.825 176.111 -2.286 1
1 286 . 17 1 1 A 22 22 PHE CA C 22 54.913 55.556 -0.643 1
1 287 . 17 1 1 A 22 22 PHE CB C 22 41.568 41.556 0.012 1
1 290 . 17 1 1 A 22 22 PHE N N 22 121.680 117.378 4.302 1
1 291 . 17 1 1 A 23 23 GLU H H 23 9.053 8.823 0.230 1
1 292 . 17 1 1 A 23 23 GLU HA H 23 3.893 4.292 -0.399 1
1 297 . 17 1 1 A 23 23 GLU C C 23 174.856 176.079 -1.223 1
1 298 . 17 1 1 A 23 23 GLU CA C 23 56.781 55.780 1.001 1
1 299 . 17 1 1 A 23 23 GLU CB C 23 29.990 29.032 0.958 1
1 301 . 17 1 1 A 23 23 GLU N N 23 125.059 120.689 4.370 1
1 302 . 17 1 1 A 24 24 GLY HA2 H 24 4.212 4.126 0.086 1
1 303 . 17 1 1 A 24 24 GLY HA3 H 24 3.112 4.195 -1.083 1
1 304 . 17 1 1 A 24 24 GLY C C 24 173.311 172.955 0.356 1
1 305 . 17 1 1 A 24 24 GLY CA C 24 45.104 44.209 0.895 1
1 306 . 17 1 1 A 25 25 SER H H 25 9.877 8.289 1.588 1
1 307 . 17 1 1 A 25 25 SER HA H 25 4.884 4.622 0.262 1
1 310 . 17 1 1 A 25 25 SER C C 25 173.788 175.780 -1.992 1
1 311 . 17 1 1 A 25 25 SER CA C 25 57.549 57.756 -0.207 1
1 312 . 17 1 1 A 25 25 SER CB C 25 65.383 64.496 0.887 1
1 313 . 17 1 1 A 25 25 SER N N 25 121.073 116.531 4.542 1
1 314 . 17 1 1 A 26 26 ALA H H 26 9.097 9.024 0.073 1
1 315 . 17 1 1 A 26 26 ALA HA H 26 3.964 4.038 -0.074 1
1 319 . 17 1 1 A 26 26 ALA C C 26 181.102 179.932 1.170 1
1 320 . 17 1 1 A 26 26 ALA CA C 26 56.670 55.527 1.143 1
1 321 . 17 1 1 A 26 26 ALA CB C 26 17.927 18.195 -0.268 1
1 322 . 17 1 1 A 26 26 ALA N N 26 123.398 125.188 -1.790 1
1 323 . 17 1 1 A 27 27 VAL H H 27 7.928 8.036 -0.108 1
1 324 . 17 1 1 A 27 27 VAL HA H 27 3.593 3.368 0.225 1
1 332 . 17 1 1 A 27 27 VAL C C 27 176.628 177.240 -0.612 1
1 333 . 17 1 1 A 27 27 VAL CA C 27 65.257 66.716 -1.459 1
1 334 . 17 1 1 A 27 27 VAL CB C 27 31.688 31.285 0.403 1
1 337 . 17 1 1 A 27 27 VAL N N 27 117.697 117.917 -0.220 1
1 338 . 17 1 1 A 28 28 ASP H H 28 6.927 8.198 -1.271 1
1 339 . 17 1 1 A 28 28 ASP HA H 28 4.512 4.383 0.129 1
1 342 . 17 1 1 A 28 28 ASP C C 28 178.402 178.619 -0.217 1
1 343 . 17 1 1 A 28 28 ASP CA C 28 56.586 57.068 -0.482 1
1 344 . 17 1 1 A 28 28 ASP CB C 28 41.317 40.697 0.620 1
1 345 . 17 1 1 A 28 28 ASP N N 28 121.516 120.503 1.013 1
1 346 . 17 1 1 A 29 29 LEU H H 29 8.309 8.179 0.130 1
1 347 . 17 1 1 A 29 29 LEU HA H 29 3.764 4.021 -0.257 1
1 357 . 17 1 1 A 29 29 LEU C C 29 180.093 178.821 1.272 1
1 358 . 17 1 1 A 29 29 LEU CA C 29 57.091 57.467 -0.376 1
1 359 . 17 1 1 A 29 29 LEU CB C 29 41.418 41.396 0.022 1
1 363 . 17 1 1 A 29 29 LEU N N 29 118.648 121.282 -2.634 1
1 364 . 17 1 1 A 30 30 ALA H H 30 7.458 7.749 -0.291 1
1 365 . 17 1 1 A 30 30 ALA HA H 30 4.000 4.004 -0.004 1
1 369 . 17 1 1 A 30 30 ALA C C 30 179.371 179.485 -0.114 1
1 370 . 17 1 1 A 30 30 ALA CA C 30 54.526 55.258 -0.732 1
1 371 . 17 1 1 A 30 30 ALA CB C 30 18.102 18.120 -0.018 1
1 372 . 17 1 1 A 30 30 ALA N N 30 120.814 120.981 -0.167 1
1 373 . 17 1 1 A 31 31 ASP H H 31 7.682 7.765 -0.083 1
1 374 . 17 1 1 A 31 31 ASP HA H 31 4.410 4.550 -0.140 1
1 377 . 17 1 1 A 31 31 ASP C C 31 176.610 176.369 0.241 1
1 378 . 17 1 1 A 31 31 ASP CA C 31 55.271 53.872 1.399 1
1 379 . 17 1 1 A 31 31 ASP CB C 31 40.083 41.450 -1.367 1
1 380 . 17 1 1 A 31 31 ASP N N 31 117.191 113.394 3.797 1
1 381 . 17 1 1 A 32 32 GLY H H 32 7.909 7.647 0.262 1
1 382 . 17 1 1 A 32 32 GLY HA2 H 32 4.090 3.626 0.464 1
1 383 . 17 1 1 A 32 32 GLY HA3 H 32 3.597 3.786 -0.189 1
1 384 . 17 1 1 A 32 32 GLY C C 32 173.168 174.040 -0.872 1
1 385 . 17 1 1 A 32 32 GLY CA C 32 45.112 45.230 -0.118 1
1 386 . 17 1 1 A 32 32 GLY N N 32 106.983 107.047 -0.064 1
1 387 . 17 1 1 A 33 33 PHE H H 33 7.233 8.007 -0.774 1
1 388 . 17 1 1 A 33 33 PHE HA H 33 4.212 4.763 -0.551 1
1 396 . 17 1 1 A 33 33 PHE C C 33 171.389 175.734 -4.345 1
1 397 . 17 1 1 A 33 33 PHE CA C 33 55.383 57.442 -2.059 1
1 398 . 17 1 1 A 33 33 PHE CB C 33 37.177 41.766 -4.589 1
1 404 . 17 1 1 A 33 33 PHE N N 33 115.364 118.450 -3.086 1
1 405 . 17 1 1 A 34 34 ILE H H 34 8.637 8.413 0.224 1
1 406 . 17 1 1 A 34 34 ILE HA H 34 3.817 4.157 -0.340 1
1 416 . 17 1 1 A 34 34 ILE C C 34 177.018 176.022 0.996 1
1 417 . 17 1 1 A 34 34 ILE CA C 34 60.724 62.360 -1.636 1
1 418 . 17 1 1 A 34 34 ILE CB C 34 39.266 38.345 0.921 1
1 422 . 17 1 1 A 34 34 ILE N N 34 114.086 123.251 -9.165 1
1 423 . 17 1 1 A 35 35 HIS H H 35 9.203 9.281 -0.078 1
1 424 . 17 1 1 A 35 35 HIS HA H 35 4.448 5.267 -0.819 1
1 428 . 17 1 1 A 35 35 HIS C C 35 175.740 174.986 0.754 1
1 429 . 17 1 1 A 35 35 HIS CA C 35 57.757 55.457 2.300 1
1 430 . 17 1 1 A 35 35 HIS CB C 35 29.758 31.311 -1.553 1
1 432 . 17 1 1 A 35 35 HIS N N 35 127.988 126.588 1.400 1
1 433 . 17 1 1 A 36 36 LEU H H 36 8.454 9.136 -0.682 1
1 434 . 17 1 1 A 36 36 LEU HA H 36 5.190 5.028 0.162 1
1 444 . 17 1 1 A 36 36 LEU C C 36 174.813 175.682 -0.869 1
1 445 . 17 1 1 A 36 36 LEU CA C 36 56.019 53.231 2.788 1
1 446 . 17 1 1 A 36 36 LEU CB C 36 44.541 45.849 -1.308 1
1 450 . 17 1 1 A 36 36 LEU N N 36 126.075 125.038 1.037 1
1 451 . 17 1 1 A 37 37 SER H H 37 9.128 8.776 0.352 1
1 452 . 17 1 1 A 37 37 SER HA H 37 5.277 5.187 0.090 1
1 455 . 17 1 1 A 37 37 SER C C 37 174.433 172.427 2.006 1
1 456 . 17 1 1 A 37 37 SER CA C 37 57.990 58.075 -0.085 1
1 457 . 17 1 1 A 37 37 SER CB C 37 66.778 66.562 0.216 1
1 458 . 17 1 1 A 37 37 SER N N 37 112.795 115.759 -2.964 1
1 459 . 17 1 1 A 38 38 ALA H H 38 9.665 8.529 1.136 1
1 460 . 17 1 1 A 38 38 ALA HA H 38 4.973 4.896 0.077 1
1 464 . 17 1 1 A 38 38 ALA C C 38 179.640 177.847 1.793 1
1 465 . 17 1 1 A 38 38 ALA CA C 38 52.303 50.829 1.474 1
1 466 . 17 1 1 A 38 38 ALA CB C 38 19.350 20.702 -1.352 1
1 467 . 17 1 1 A 38 38 ALA N N 38 127.103 125.139 1.964 1
1 468 . 17 1 1 A 39 39 GLY H H 39 10.159 9.009 1.150 1
1 469 . 17 1 1 A 39 39 GLY HA2 H 39 4.249 3.624 0.625 1
1 470 . 17 1 1 A 39 39 GLY HA3 H 39 3.720 3.857 -0.137 1
1 471 . 17 1 1 A 39 39 GLY C C 39 176.229 175.303 0.926 1
1 472 . 17 1 1 A 39 39 GLY CA C 39 49.163 47.065 2.098 1
1 473 . 17 1 1 A 39 39 GLY N N 39 112.007 114.443 -2.436 1
1 474 . 17 1 1 A 40 40 GLU H H 40 9.367 8.826 0.541 1
1 475 . 17 1 1 A 40 40 GLU HA H 40 4.234 3.965 0.269 1
1 480 . 17 1 1 A 40 40 GLU C C 40 176.417 179.295 -2.878 1
1 481 . 17 1 1 A 40 40 GLU CA C 40 58.622 59.678 -1.056 1
1 482 . 17 1 1 A 40 40 GLU CB C 40 28.796 29.313 -0.517 1
1 484 . 17 1 1 A 40 40 GLU N N 40 117.243 125.229 -7.986 1
1 485 . 17 1 1 A 41 41 GLN H H 41 7.503 8.250 -0.747 1
1 486 . 17 1 1 A 41 41 GLN HA H 41 4.752 4.083 0.669 1
1 493 . 17 1 1 A 41 41 GLN C C 41 177.730 178.566 -0.836 1
1 494 . 17 1 1 A 41 41 GLN CA C 41 55.626 58.564 -2.938 1
1 495 . 17 1 1 A 41 41 GLN CB C 41 30.653 28.331 2.322 1
1 498 . 17 1 1 A 41 41 GLN N N 41 115.837 118.022 -2.185 1
1 500 . 17 1 1 A 42 42 ALA H H 42 7.519 8.056 -0.537 1
1 501 . 17 1 1 A 42 42 ALA HA H 42 3.927 4.092 -0.165 1
1 505 . 17 1 1 A 42 42 ALA C C 42 177.826 179.026 -1.200 1
1 506 . 17 1 1 A 42 42 ALA CA C 42 56.706 55.526 1.180 1
1 507 . 17 1 1 A 42 42 ALA CB C 42 18.247 18.161 0.086 1
1 508 . 17 1 1 A 42 42 ALA N N 42 123.105 122.841 0.264 1
1 509 . 17 1 1 A 43 43 GLN H H 43 9.203 7.522 1.681 1
1 510 . 17 1 1 A 43 43 GLN HA H 43 3.942 3.992 -0.050 1
1 517 . 17 1 1 A 43 43 GLN C C 43 177.913 178.184 -0.271 1
1 518 . 17 1 1 A 43 43 GLN CA C 43 58.678 59.300 -0.622 1
1 519 . 17 1 1 A 43 43 GLN CB C 43 28.815 28.439 0.376 1
1 522 . 17 1 1 A 43 43 GLN N N 43 118.650 118.007 0.643 1
1 524 . 17 1 1 A 44 44 GLU H H 44 8.611 8.154 0.457 1
1 525 . 17 1 1 A 44 44 GLU HA H 44 4.207 4.098 0.109 1
1 530 . 17 1 1 A 44 44 GLU C C 44 179.090 179.658 -0.568 1
1 531 . 17 1 1 A 44 44 GLU CA C 44 59.246 59.352 -0.106 1
1 532 . 17 1 1 A 44 44 GLU CB C 44 28.850 29.371 -0.521 1
1 534 . 17 1 1 A 44 44 GLU N N 44 122.042 119.642 2.400 1
1 535 . 17 1 1 A 45 45 THR H H 45 8.292 8.271 0.021 1
1 536 . 17 1 1 A 45 45 THR HA H 45 4.123 4.180 -0.057 1
1 541 . 17 1 1 A 45 45 THR C C 45 176.228 176.518 -0.290 1
1 542 . 17 1 1 A 45 45 THR CA C 45 66.902 66.262 0.640 1
1 543 . 17 1 1 A 45 45 THR CB C 45 68.949 68.564 0.385 1
1 545 . 17 1 1 A 45 45 THR N N 45 117.583 116.434 1.149 1
1 546 . 17 1 1 A 46 46 ALA H H 46 8.275 8.687 -0.412 1
1 547 . 17 1 1 A 46 46 ALA HA H 46 4.255 4.302 -0.047 1
1 551 . 17 1 1 A 46 46 ALA C C 46 178.630 179.888 -1.258 1
1 552 . 17 1 1 A 46 46 ALA CA C 46 55.406 55.640 -0.234 1
1 553 . 17 1 1 A 46 46 ALA CB C 46 18.482 18.443 0.039 1
1 554 . 17 1 1 A 46 46 ALA N N 46 123.184 123.769 -0.585 1
1 555 . 17 1 1 A 47 47 ALA H H 47 8.066 8.319 -0.253 1
1 556 . 17 1 1 A 47 47 ALA HA H 47 3.953 4.066 -0.113 1
1 560 . 17 1 1 A 47 47 ALA C C 47 178.552 180.267 -1.715 1
1 561 . 17 1 1 A 47 47 ALA CA C 47 55.030 55.260 -0.230 1
1 562 . 17 1 1 A 47 47 ALA CB C 47 18.899 18.541 0.358 1
1 563 . 17 1 1 A 47 47 ALA N N 47 117.129 119.950 -2.821 1
1 564 . 17 1 1 A 48 48 LYS H H 48 8.089 7.905 0.184 1
1 565 . 17 1 1 A 48 48 LYS HA H 48 3.936 4.004 -0.068 1
1 574 . 17 1 1 A 48 48 LYS C C 48 179.130 178.253 0.877 1
1 575 . 17 1 1 A 48 48 LYS CA C 48 58.560 58.538 0.022 1
1 576 . 17 1 1 A 48 48 LYS CB C 48 33.122 32.978 0.144 1
1 580 . 17 1 1 A 48 48 LYS N N 48 115.322 117.200 -1.878 1
1 581 . 17 1 1 A 49 49 TRP H H 49 7.978 8.281 -0.303 1
1 582 . 17 1 1 A 49 49 TRP HA H 49 4.807 4.576 0.231 1
1 591 . 17 1 1 A 49 49 TRP C C 49 176.923 176.885 0.038 1
1 592 . 17 1 1 A 49 49 TRP CA C 49 57.157 58.525 -1.368 1
1 593 . 17 1 1 A 49 49 TRP CB C 49 31.461 30.438 1.023 1
1 599 . 17 1 1 A 49 49 TRP N N 49 114.492 114.660 -0.168 1
1 601 . 17 1 1 A 50 50 PHE H H 50 7.740 8.281 -0.541 1
1 602 . 17 1 1 A 50 50 PHE HA H 50 4.925 4.919 0.006 1
1 608 . 17 1 1 A 50 50 PHE C C 50 174.160 176.012 -1.852 1
1 609 . 17 1 1 A 50 50 PHE CA C 50 57.772 56.117 1.655 1
1 610 . 17 1 1 A 50 50 PHE CB C 50 39.610 36.801 2.809 1
1 614 . 17 1 1 A 50 50 PHE N N 50 116.540 116.030 0.510 1
1 615 . 17 1 1 A 51 51 ARG H H 51 7.389 7.937 -0.548 1
1 616 . 17 1 1 A 51 51 ARG HA H 51 4.198 4.190 0.008 1
1 624 . 17 1 1 A 51 51 ARG C C 51 179.130 177.086 2.044 1
1 625 . 17 1 1 A 51 51 ARG CA C 51 58.224 58.366 -0.142 1
1 626 . 17 1 1 A 51 51 ARG CB C 51 30.032 31.348 -1.316 1
1 629 . 17 1 1 A 51 51 ARG N N 51 119.136 122.420 -3.284 1
1 631 . 17 1 1 A 52 52 GLY H H 52 10.264 7.314 2.950 1
1 632 . 17 1 1 A 52 52 GLY HA2 H 52 4.180 4.109 0.071 1
1 633 . 17 1 1 A 52 52 GLY HA3 H 52 3.745 4.126 -0.381 1
1 634 . 17 1 1 A 52 52 GLY C C 52 173.980 174.330 -0.350 1
1 635 . 17 1 1 A 52 52 GLY CA C 52 45.517 45.855 -0.338 1
1 636 . 17 1 1 A 52 52 GLY N N 52 114.192 106.550 7.642 1
1 637 . 17 1 1 A 53 53 GLN H H 53 7.597 8.546 -0.949 1
1 638 . 17 1 1 A 53 53 GLN HA H 53 4.437 4.474 -0.037 1
1 645 . 17 1 1 A 53 53 GLN C C 53 172.934 174.854 -1.920 1
1 646 . 17 1 1 A 53 53 GLN CA C 53 56.280 55.148 1.132 1
1 647 . 17 1 1 A 53 53 GLN CB C 53 29.123 28.628 0.495 1
1 650 . 17 1 1 A 53 53 GLN N N 53 120.438 118.523 1.915 1
1 652 . 17 1 1 A 54 54 ALA H H 54 8.190 8.156 0.034 1
1 653 . 17 1 1 A 54 54 ALA HA H 54 4.344 4.136 0.208 1
1 657 . 17 1 1 A 54 54 ALA C C 54 177.278 176.563 0.715 1
1 658 . 17 1 1 A 54 54 ALA CA C 54 51.377 53.140 -1.763 1
1 659 . 17 1 1 A 54 54 ALA CB C 54 20.525 18.173 2.352 1
1 660 . 17 1 1 A 54 54 ALA N N 54 124.528 119.989 4.539 1
1 661 . 17 1 1 A 55 55 ASN H H 55 8.903 8.653 0.250 1
1 662 . 17 1 1 A 55 55 ASN HA H 55 4.598 4.400 0.198 1
1 667 . 17 1 1 A 55 55 ASN C C 55 174.075 174.262 -0.187 1
1 668 . 17 1 1 A 55 55 ASN CA C 55 53.986 53.666 0.320 1
1 669 . 17 1 1 A 55 55 ASN CB C 55 37.654 37.215 0.439 1
1 671 . 17 1 1 A 55 55 ASN N N 55 113.776 116.378 -2.602 1
1 673 . 17 1 1 A 56 56 LEU H H 56 8.543 8.188 0.355 1
1 674 . 17 1 1 A 56 56 LEU HA H 56 4.677 4.681 -0.004 1
1 684 . 17 1 1 A 56 56 LEU C C 56 176.806 175.646 1.160 1
1 685 . 17 1 1 A 56 56 LEU CA C 56 54.383 53.838 0.545 1
1 686 . 17 1 1 A 56 56 LEU CB C 56 45.328 43.571 1.757 1
1 690 . 17 1 1 A 56 56 LEU N N 56 117.411 121.501 -4.090 1
1 691 . 17 1 1 A 57 57 VAL H H 57 9.207 8.908 0.299 1
1 692 . 17 1 1 A 57 57 VAL HA H 57 4.633 4.200 0.433 1
1 700 . 17 1 1 A 57 57 VAL C C 57 172.465 174.567 -2.102 1
1 701 . 17 1 1 A 57 57 VAL CA C 57 59.970 62.293 -2.323 1
1 702 . 17 1 1 A 57 57 VAL CB C 57 35.376 32.093 3.283 1
1 705 . 17 1 1 A 57 57 VAL N N 57 121.448 125.638 -4.190 1
1 706 . 17 1 1 A 58 58 LEU H H 58 8.855 9.085 -0.230 1
1 707 . 17 1 1 A 58 58 LEU HA H 58 4.763 4.742 0.021 1
1 717 . 17 1 1 A 58 58 LEU C C 58 175.349 174.516 0.833 1
1 718 . 17 1 1 A 58 58 LEU CA C 58 52.286 53.525 -1.239 1
1 719 . 17 1 1 A 58 58 LEU CB C 58 46.390 43.667 2.723 1
1 723 . 17 1 1 A 58 58 LEU N N 58 124.476 129.688 -5.212 1
1 724 . 17 1 1 A 59 59 LEU H H 59 9.265 9.090 0.175 1
1 725 . 17 1 1 A 59 59 LEU HA H 59 4.714 4.530 0.184 1
1 735 . 17 1 1 A 59 59 LEU C C 59 175.262 175.097 0.165 1
1 736 . 17 1 1 A 59 59 LEU CA C 59 52.753 53.956 -1.203 1
1 737 . 17 1 1 A 59 59 LEU CB C 59 42.431 41.193 1.238 1
1 741 . 17 1 1 A 59 59 LEU N N 59 125.973 128.792 -2.819 1
1 742 . 17 1 1 A 60 60 ALA H H 60 8.331 8.680 -0.349 1
1 743 . 17 1 1 A 60 60 ALA HA H 60 4.739 4.556 0.183 1
1 747 . 17 1 1 A 60 60 ALA C C 60 175.631 175.832 -0.201 1
1 748 . 17 1 1 A 60 60 ALA CA C 60 50.320 50.418 -0.098 1
1 749 . 17 1 1 A 60 60 ALA CB C 60 21.744 19.960 1.784 1
1 750 . 17 1 1 A 60 60 ALA N N 60 124.617 128.320 -3.703 1
1 751 . 17 1 1 A 61 61 VAL H H 61 8.944 8.700 0.244 1
1 752 . 17 1 1 A 61 61 VAL HA H 61 4.244 5.068 -0.824 1
1 760 . 17 1 1 A 61 61 VAL C C 61 174.674 175.484 -0.810 1
1 761 . 17 1 1 A 61 61 VAL CA C 61 60.770 60.788 -0.018 1
1 762 . 17 1 1 A 61 61 VAL CB C 61 36.636 34.509 2.127 1
1 765 . 17 1 1 A 61 61 VAL N N 61 124.079 123.635 0.444 1
1 766 . 17 1 1 A 62 62 GLU H H 62 8.490 8.410 0.080 1
1 767 . 17 1 1 A 62 62 GLU HA H 62 4.551 4.287 0.264 1
1 772 . 17 1 1 A 62 62 GLU C C 62 177.700 176.354 1.346 1
1 773 . 17 1 1 A 62 62 GLU CA C 62 56.879 56.012 0.867 1
1 774 . 17 1 1 A 62 62 GLU CB C 62 29.372 28.868 0.504 1
1 776 . 17 1 1 A 62 62 GLU N N 62 127.752 127.386 0.366 1
1 777 . 17 1 1 A 63 63 ALA H H 63 9.173 8.527 0.646 1
1 778 . 17 1 1 A 63 63 ALA HA H 63 3.991 3.876 0.115 1
1 782 . 17 1 1 A 63 63 ALA C C 63 180.311 177.835 2.476 1
1 783 . 17 1 1 A 63 63 ALA CA C 63 54.850 55.428 -0.578 1
1 784 . 17 1 1 A 63 63 ALA CB C 63 19.495 18.653 0.842 1
1 785 . 17 1 1 A 63 63 ALA N N 63 127.466 129.644 -2.178 1
1 786 . 17 1 1 A 64 64 GLU H H 64 9.571 7.923 1.648 1
1 787 . 17 1 1 A 64 64 GLU HA H 64 4.146 4.415 -0.269 1
1 792 . 17 1 1 A 64 64 GLU C C 64 177.102 177.061 0.041 1
1 793 . 17 1 1 A 64 64 GLU CA C 64 63.532 58.206 5.326 1
1 794 . 17 1 1 A 64 64 GLU CB C 64 25.742 28.530 -2.788 1
1 796 . 17 1 1 A 64 64 GLU N N 64 120.368 113.567 6.801 1
1 797 . 17 1 1 A 65 65 PRO HA H 65 4.440 4.232 0.208 1
1 804 . 17 1 1 A 65 65 PRO C C 65 177.332 177.344 -0.012 1
1 805 . 17 1 1 A 65 65 PRO CA C 65 64.973 65.557 -0.584 1
1 806 . 17 1 1 A 65 65 PRO CB C 65 31.341 31.949 -0.608 1
1 809 . 17 1 1 A 66 66 LEU H H 66 7.412 7.976 -0.564 1
1 810 . 17 1 1 A 66 66 LEU HA H 66 4.023 3.963 0.060 1
1 820 . 17 1 1 A 66 66 LEU C C 66 178.533 176.043 2.490 1
1 821 . 17 1 1 A 66 66 LEU CA C 66 55.861 57.681 -1.820 1
1 822 . 17 1 1 A 66 66 LEU CB C 66 41.349 39.852 1.497 1
1 826 . 17 1 1 A 66 66 LEU N N 66 114.991 118.033 -3.042 1
1 827 . 17 1 1 A 67 67 GLY H H 67 7.733 8.273 -0.540 1
1 828 . 17 1 1 A 67 67 GLY HA2 H 67 4.018 4.082 -0.064 1
1 829 . 17 1 1 A 67 67 GLY HA3 H 67 3.909 4.084 -0.175 1
1 830 . 17 1 1 A 67 67 GLY C C 67 175.925 174.335 1.590 1
1 831 . 17 1 1 A 67 67 GLY CA C 67 46.054 46.111 -0.057 1
1 832 . 17 1 1 A 67 67 GLY N N 67 104.242 104.607 -0.365 1
1 833 . 17 1 1 A 68 68 GLU H H 68 8.887 8.186 0.701 1
1 834 . 17 1 1 A 68 68 GLU HA H 68 4.219 4.606 -0.387 1
1 839 . 17 1 1 A 68 68 GLU C C 68 176.314 177.046 -0.732 1
1 840 . 17 1 1 A 68 68 GLU CA C 68 57.652 55.546 2.106 1
1 841 . 17 1 1 A 68 68 GLU CB C 68 29.306 30.714 -1.408 1
1 843 . 17 1 1 A 68 68 GLU N N 68 121.253 117.707 3.546 1
1 844 . 17 1 1 A 69 69 ASP H H 69 7.630 7.791 -0.161 1
1 845 . 17 1 1 A 69 69 ASP HA H 69 4.587 3.587 1.000 1
1 848 . 17 1 1 A 69 69 ASP C C 69 174.665 176.975 -2.310 1
1 849 . 17 1 1 A 69 69 ASP CA C 69 56.078 56.508 -0.430 1
1 850 . 17 1 1 A 69 69 ASP CB C 69 41.572 40.673 0.899 1
1 851 . 17 1 1 A 69 69 ASP N N 69 116.486 119.509 -3.023 1
1 852 . 17 1 1 A 70 70 LEU H H 70 7.433 7.309 0.124 1
1 853 . 17 1 1 A 70 70 LEU HA H 70 4.854 4.245 0.609 1
1 863 . 17 1 1 A 70 70 LEU C C 70 174.259 175.765 -1.506 1
1 864 . 17 1 1 A 70 70 LEU CA C 70 53.281 54.762 -1.481 1
1 865 . 17 1 1 A 70 70 LEU CB C 70 43.024 42.297 0.727 1
1 869 . 17 1 1 A 70 70 LEU N N 70 121.585 119.639 1.946 1
1 870 . 17 1 1 A 71 71 LYS H H 71 9.114 8.645 0.469 1
1 871 . 17 1 1 A 71 71 LYS HA H 71 4.724 4.722 0.002 1
1 880 . 17 1 1 A 71 71 LYS C C 71 175.146 174.849 0.297 1
1 881 . 17 1 1 A 71 71 LYS CA C 71 54.024 54.689 -0.665 1
1 882 . 17 1 1 A 71 71 LYS CB C 71 35.469 33.722 1.747 1
1 886 . 17 1 1 A 71 71 LYS N N 71 126.179 127.241 -1.062 1
1 887 . 17 1 1 A 72 72 TRP H H 72 8.981 8.810 0.171 1
1 888 . 17 1 1 A 72 72 TRP HA H 72 4.720 4.817 -0.097 1
1 897 . 17 1 1 A 72 72 TRP C C 72 176.394 175.744 0.650 1
1 898 . 17 1 1 A 72 72 TRP CA C 72 55.876 57.194 -1.318 1
1 899 . 17 1 1 A 72 72 TRP CB C 72 27.789 28.962 -1.173 1
1 905 . 17 1 1 A 72 72 TRP N N 72 125.904 128.012 -2.108 1
1 907 . 17 1 1 A 73 73 GLU H H 73 8.558 9.150 -0.592 1
1 908 . 17 1 1 A 73 73 GLU HA H 73 4.762 4.542 0.220 1
1 913 . 17 1 1 A 73 73 GLU C C 73 175.459 175.328 0.131 1
1 914 . 17 1 1 A 73 73 GLU CA C 73 55.208 56.585 -1.377 1
1 915 . 17 1 1 A 73 73 GLU CB C 73 32.615 30.058 2.557 1
1 917 . 17 1 1 A 73 73 GLU N N 73 123.290 126.105 -2.815 1
1 918 . 17 1 1 A 74 74 ALA H H 74 8.962 8.894 0.068 1
1 919 . 17 1 1 A 74 74 ALA HA H 74 4.738 4.859 -0.121 1
1 923 . 17 1 1 A 74 74 ALA C C 74 177.803 176.652 1.151 1
1 924 . 17 1 1 A 74 74 ALA CA C 74 52.246 50.769 1.477 1
1 925 . 17 1 1 A 74 74 ALA CB C 74 20.070 19.589 0.481 1
1 926 . 17 1 1 A 74 74 ALA N N 74 127.315 131.106 -3.791 1
1 927 . 17 1 1 A 75 75 SER H H 75 8.762 8.388 0.374 1
1 928 . 17 1 1 A 75 75 SER HA H 75 4.850 5.006 -0.156 1
1 931 . 17 1 1 A 75 75 SER C C 75 176.080 173.824 2.256 1
1 932 . 17 1 1 A 75 75 SER CA C 75 56.954 56.663 0.291 1
1 933 . 17 1 1 A 75 75 SER CB C 75 65.244 64.399 0.845 1
1 934 . 17 1 1 A 75 75 SER N N 75 117.745 116.853 0.892 1
1 935 . 17 1 1 A 76 76 ARG HA H 76 4.193 4.426 -0.233 1
1 943 . 17 1 1 A 76 76 ARG CA C 76 58.895 56.244 2.651 1
1 944 . 17 1 1 A 76 76 ARG CB C 76 29.877 28.902 0.975 1
1 947 . 17 1 1 A 77 77 GLY C C 77 175.277 174.787 0.490 1
1 948 . 17 1 1 A 78 78 GLY H H 78 8.045 8.844 -0.799 1
1 949 . 17 1 1 A 78 78 GLY HA2 H 78 4.390 3.900 0.490 1
1 950 . 17 1 1 A 78 78 GLY HA3 H 78 3.786 3.901 -0.115 1
1 951 . 17 1 1 A 78 78 GLY C C 78 173.503 174.513 -1.010 1
1 952 . 17 1 1 A 78 78 GLY CA C 78 45.296 46.512 -1.216 1
1 953 . 17 1 1 A 78 78 GLY N N 78 110.323 109.210 1.113 1
1 954 . 17 1 1 A 79 79 ALA H H 79 7.879 7.638 0.241 1
1 955 . 17 1 1 A 79 79 ALA HA H 79 4.357 4.270 0.087 1
1 959 . 17 1 1 A 79 79 ALA C C 79 176.674 176.821 -0.147 1
1 960 . 17 1 1 A 79 79 ALA CA C 79 52.151 51.554 0.597 1
1 961 . 17 1 1 A 79 79 ALA CB C 79 20.171 19.744 0.427 1
1 962 . 17 1 1 A 79 79 ALA N N 79 123.865 123.503 0.362 1
1 963 . 17 1 1 A 80 80 ARG H H 80 8.375 8.371 0.004 1
1 964 . 17 1 1 A 80 80 ARG HA H 80 4.629 4.790 -0.161 1
1 972 . 17 1 1 A 80 80 ARG C C 80 175.713 174.911 0.802 1
1 973 . 17 1 1 A 80 80 ARG CA C 80 55.622 55.444 0.178 1
1 974 . 17 1 1 A 80 80 ARG CB C 80 32.074 31.224 0.850 1
1 977 . 17 1 1 A 80 80 ARG N N 80 119.145 122.938 -3.793 1
1 979 . 17 1 1 A 81 81 PHE H H 81 8.722 8.593 0.129 1
1 980 . 17 1 1 A 81 81 PHE HA H 81 5.156 4.816 0.340 1
1 988 . 17 1 1 A 81 81 PHE C C 81 172.806 173.951 -1.145 1
1 989 . 17 1 1 A 81 81 PHE CA C 81 54.950 55.487 -0.537 1
1 990 . 17 1 1 A 81 81 PHE CB C 81 42.240 39.569 2.671 1
1 996 . 17 1 1 A 81 81 PHE N N 81 123.774 123.284 0.490 1
1 997 . 17 1 1 A 82 82 PRO HA H 82 3.635 4.141 -0.506 1
1 1004 . 17 1 1 A 82 82 PRO C C 82 174.511 175.746 -1.235 1
1 1005 . 17 1 1 A 82 82 PRO CA C 82 61.347 62.555 -1.208 1
1 1006 . 17 1 1 A 82 82 PRO CB C 82 29.495 32.176 -2.681 1
1 1009 . 17 1 1 A 83 83 HIS H H 83 8.831 8.562 0.269 1
1 1010 . 17 1 1 A 83 83 HIS HA H 83 5.330 5.408 -0.078 1
1 1014 . 17 1 1 A 83 83 HIS C C 83 172.952 173.339 -0.387 1
1 1015 . 17 1 1 A 83 83 HIS CA C 83 50.700 54.228 -3.528 1
1 1016 . 17 1 1 A 83 83 HIS CB C 83 33.238 33.906 -0.668 1
1 1018 . 17 1 1 A 83 83 HIS N N 83 124.483 121.502 2.981 1
1 1019 . 17 1 1 A 84 84 LEU H H 84 9.063 8.560 0.503 1
1 1020 . 17 1 1 A 84 84 LEU HA H 84 5.163 5.007 0.156 1
1 1030 . 17 1 1 A 84 84 LEU C C 84 176.699 175.843 0.856 1
1 1031 . 17 1 1 A 84 84 LEU CA C 84 53.829 52.823 1.006 1
1 1032 . 17 1 1 A 84 84 LEU CB C 84 45.366 46.072 -0.706 1
1 1036 . 17 1 1 A 84 84 LEU N N 84 125.218 122.242 2.976 1
1 1037 . 17 1 1 A 85 85 TYR H H 85 9.058 8.681 0.377 1
1 1038 . 17 1 1 A 85 85 TYR HA H 85 4.508 4.650 -0.142 1
1 1045 . 17 1 1 A 85 85 TYR C C 85 173.624 176.714 -3.090 1
1 1046 . 17 1 1 A 85 85 TYR CA C 85 60.034 60.545 -0.511 1
1 1047 . 17 1 1 A 85 85 TYR CB C 85 36.073 38.852 -2.779 1
1 1052 . 17 1 1 A 85 85 TYR N N 85 131.339 122.830 8.509 1
1 1053 . 17 1 1 A 86 86 ARG H H 86 7.432 7.362 0.070 1
1 1054 . 17 1 1 A 86 86 ARG HA H 86 4.682 4.553 0.129 1
1 1062 . 17 1 1 A 86 86 ARG C C 86 171.917 174.503 -2.586 1
1 1063 . 17 1 1 A 86 86 ARG CA C 86 54.953 54.588 0.365 1
1 1064 . 17 1 1 A 86 86 ARG CB C 86 28.209 29.430 -1.221 1
1 1067 . 17 1 1 A 86 86 ARG N N 86 114.399 118.444 -4.045 1
1 1069 . 17 1 1 A 87 87 PRO HA H 87 4.303 4.356 -0.053 1
1 1076 . 17 1 1 A 87 87 PRO C C 87 175.771 176.359 -0.588 1
1 1077 . 17 1 1 A 87 87 PRO CA C 87 63.497 63.174 0.323 1
1 1078 . 17 1 1 A 87 87 PRO CB C 87 32.253 31.625 0.628 1
1 1081 . 17 1 1 A 88 88 LEU H H 88 8.095 7.950 0.145 1
1 1082 . 17 1 1 A 88 88 LEU HA H 88 4.286 4.180 0.106 1
1 1092 . 17 1 1 A 88 88 LEU C C 88 175.946 175.645 0.301 1
1 1093 . 17 1 1 A 88 88 LEU CA C 88 53.675 55.446 -1.771 1
1 1094 . 17 1 1 A 88 88 LEU CB C 88 45.548 41.565 3.983 1
1 1098 . 17 1 1 A 88 88 LEU N N 88 125.942 123.290 2.652 1
1 1099 . 17 1 1 A 89 89 LEU H H 89 9.224 8.476 0.748 1
1 1100 . 17 1 1 A 89 89 LEU HA H 89 4.561 4.322 0.239 1
1 1110 . 17 1 1 A 89 89 LEU C C 89 179.295 177.133 2.162 1
1 1111 . 17 1 1 A 89 89 LEU CA C 89 55.212 54.953 0.259 1
1 1112 . 17 1 1 A 89 89 LEU CB C 89 41.460 41.602 -0.142 1
1 1116 . 17 1 1 A 89 89 LEU N N 89 128.295 127.833 0.462 1
1 1117 . 17 1 1 A 90 90 VAL H H 90 7.665 8.770 -1.105 1
1 1118 . 17 1 1 A 90 90 VAL HA H 90 3.785 4.040 -0.255 1
1 1126 . 17 1 1 A 90 90 VAL C C 90 178.510 177.357 1.153 1
1 1127 . 17 1 1 A 90 90 VAL CA C 90 66.833 66.174 0.659 1
1 1128 . 17 1 1 A 90 90 VAL CB C 90 31.330 31.680 -0.350 1
1 1131 . 17 1 1 A 90 90 VAL N N 90 122.696 122.679 0.017 1
1 1132 . 17 1 1 A 91 91 SER H H 91 8.134 8.298 -0.164 1
1 1133 . 17 1 1 A 91 91 SER HA H 91 4.280 4.235 0.045 1
1 1136 . 17 1 1 A 91 91 SER C C 91 175.328 177.002 -1.674 1
1 1137 . 17 1 1 A 91 91 SER CA C 91 59.822 61.326 -1.504 1
1 1138 . 17 1 1 A 91 91 SER CB C 91 62.512 62.546 -0.034 1
1 1139 . 17 1 1 A 91 91 SER N N 91 112.443 114.728 -2.285 1
1 1140 . 17 1 1 A 92 92 GLU H H 92 7.598 8.007 -0.409 1
1 1141 . 17 1 1 A 92 92 GLU HA H 92 4.221 4.095 0.126 1
1 1146 . 17 1 1 A 92 92 GLU C C 92 175.722 177.120 -1.398 1
1 1147 . 17 1 1 A 92 92 GLU CA C 92 56.594 58.506 -1.912 1
1 1148 . 17 1 1 A 92 92 GLU CB C 92 29.511 29.344 0.167 1
1 1150 . 17 1 1 A 92 92 GLU N N 92 120.359 121.724 -1.365 1
1 1151 . 17 1 1 A 93 93 VAL H H 93 7.486 7.435 0.051 1
1 1152 . 17 1 1 A 93 93 VAL HA H 93 4.046 4.116 -0.070 1
1 1160 . 17 1 1 A 93 93 VAL C C 93 176.093 177.314 -1.221 1
1 1161 . 17 1 1 A 93 93 VAL CA C 93 63.242 63.570 -0.328 1
1 1162 . 17 1 1 A 93 93 VAL CB C 93 32.306 31.820 0.486 1
1 1165 . 17 1 1 A 93 93 VAL N N 93 121.222 120.429 0.793 1
1 1166 . 17 1 1 A 94 94 THR H H 94 9.003 8.640 0.363 1
1 1167 . 17 1 1 A 94 94 THR HA H 94 4.264 4.290 -0.026 1
1 1172 . 17 1 1 A 94 94 THR C C 94 174.664 174.267 0.397 1
1 1173 . 17 1 1 A 94 94 THR CA C 94 64.438 64.903 -0.465 1
1 1174 . 17 1 1 A 94 94 THR CB C 94 69.317 68.635 0.682 1
1 1176 . 17 1 1 A 94 94 THR N N 94 124.794 119.729 5.065 1
1 1177 . 17 1 1 A 95 95 ARG H H 95 7.514 7.601 -0.087 1
1 1178 . 17 1 1 A 95 95 ARG HA H 95 4.646 4.911 -0.265 1
1 1186 . 17 1 1 A 95 95 ARG C C 95 172.989 174.346 -1.357 1
1 1187 . 17 1 1 A 95 95 ARG CA C 95 55.872 54.016 1.856 1
1 1188 . 17 1 1 A 95 95 ARG CB C 95 33.789 33.768 0.021 1
1 1191 . 17 1 1 A 95 95 ARG N N 95 118.660 120.976 -2.316 1
1 1193 . 17 1 1 A 96 96 GLU H H 96 8.545 8.985 -0.440 1
1 1194 . 17 1 1 A 96 96 GLU HA H 96 5.329 5.132 0.197 1
1 1199 . 17 1 1 A 96 96 GLU C C 96 174.480 174.607 -0.127 1
1 1200 . 17 1 1 A 96 96 GLU CA C 96 53.415 54.198 -0.783 1
1 1201 . 17 1 1 A 96 96 GLU CB C 96 33.592 33.609 -0.017 1
1 1203 . 17 1 1 A 96 96 GLU N N 96 121.828 123.251 -1.423 1
1 1204 . 17 1 1 A 97 97 ALA H H 97 8.276 7.898 0.378 1
1 1205 . 17 1 1 A 97 97 ALA HA H 97 4.537 4.839 -0.302 1
1 1209 . 17 1 1 A 97 97 ALA C C 97 175.233 174.871 0.362 1
1 1210 . 17 1 1 A 97 97 ALA CA C 97 51.368 51.758 -0.390 1
1 1211 . 17 1 1 A 97 97 ALA CB C 97 22.101 22.691 -0.590 1
1 1212 . 17 1 1 A 97 97 ALA N N 97 123.211 120.988 2.223 1
1 1213 . 17 1 1 A 98 98 ASP H H 98 8.399 8.785 -0.386 1
1 1214 . 17 1 1 A 98 98 ASP HA H 98 4.850 4.878 -0.028 1
1 1217 . 17 1 1 A 98 98 ASP C C 98 176.085 175.307 0.778 1
1 1218 . 17 1 1 A 98 98 ASP CA C 98 54.824 53.953 0.871 1
1 1219 . 17 1 1 A 98 98 ASP CB C 98 41.694 42.314 -0.620 1
1 1220 . 17 1 1 A 98 98 ASP N N 98 122.093 122.883 -0.790 1
1 1221 . 17 1 1 A 99 99 LEU H H 99 7.854 8.948 -1.094 1
1 1222 . 17 1 1 A 99 99 LEU HA H 99 4.766 4.706 0.060 1
1 1232 . 17 1 1 A 99 99 LEU C C 99 176.250 176.449 -0.199 1
1 1233 . 17 1 1 A 99 99 LEU CA C 99 53.544 54.114 -0.570 1
1 1234 . 17 1 1 A 99 99 LEU CB C 99 44.229 42.261 1.968 1
1 1238 . 17 1 1 A 99 99 LEU N N 99 120.272 126.414 -6.142 1
1 1239 . 17 1 1 A 100 100 ASP H H 100 9.215 8.547 0.668 1
1 1240 . 17 1 1 A 100 100 ASP HA H 100 4.935 4.997 -0.062 1
1 1243 . 17 1 1 A 100 100 ASP C C 100 174.956 175.845 -0.889 1
1 1244 . 17 1 1 A 100 100 ASP CA C 100 52.684 54.242 -1.558 1
1 1245 . 17 1 1 A 100 100 ASP CB C 100 43.362 42.271 1.091 1
1 1246 . 17 1 1 A 100 100 ASP N N 100 123.325 124.900 -1.575 1
1 1247 . 17 1 1 A 101 101 LEU H H 101 8.526 8.821 -0.295 1
1 1248 . 17 1 1 A 101 101 LEU HA H 101 4.639 5.012 -0.373 1
1 1258 . 17 1 1 A 101 101 LEU C C 101 178.204 174.918 3.286 1
1 1259 . 17 1 1 A 101 101 LEU CA C 101 53.490 53.677 -0.187 1
1 1260 . 17 1 1 A 101 101 LEU CB C 101 44.374 45.684 -1.310 1
1 1264 . 17 1 1 A 101 101 LEU N N 101 118.539 117.719 0.820 1
1 1265 . 17 1 1 A 102 102 ASP H H 102 8.029 8.794 -0.765 1
1 1266 . 17 1 1 A 102 102 ASP HA H 102 4.615 4.982 -0.367 1
1 1269 . 17 1 1 A 102 102 ASP C C 102 178.176 177.302 0.874 1
1 1270 . 17 1 1 A 102 102 ASP CA C 102 52.297 52.962 -0.665 1
1 1271 . 17 1 1 A 102 102 ASP CB C 102 41.108 42.694 -1.586 1
1 1272 . 17 1 1 A 102 102 ASP N N 102 121.008 118.803 2.205 1
1 1273 . 17 1 1 A 103 103 ALA H H 103 8.384 8.613 -0.229 1
1 1274 . 17 1 1 A 103 103 ALA HA H 103 4.099 4.113 -0.014 1
1 1278 . 17 1 1 A 103 103 ALA C C 103 178.527 177.774 0.753 1
1 1279 . 17 1 1 A 103 103 ALA CA C 103 54.648 53.400 1.248 1
1 1280 . 17 1 1 A 103 103 ALA CB C 103 18.604 18.359 0.245 1
1 1281 . 17 1 1 A 103 103 ALA N N 103 120.139 122.538 -2.399 1
1 1282 . 17 1 1 A 104 104 ASP H H 104 8.033 7.852 0.181 1
1 1283 . 17 1 1 A 104 104 ASP HA H 104 4.811 4.764 0.047 1
1 1286 . 17 1 1 A 104 104 ASP C C 104 176.113 176.479 -0.366 1
1 1287 . 17 1 1 A 104 104 ASP CA C 104 54.077 54.056 0.021 1
1 1288 . 17 1 1 A 104 104 ASP CB C 104 41.899 41.608 0.291 1
1 1289 . 17 1 1 A 104 104 ASP N N 104 116.590 117.457 -0.867 1
1 1290 . 17 1 1 A 105 105 GLY H H 105 8.196 8.509 -0.313 1
1 1291 . 17 1 1 A 105 105 GLY HA2 H 105 4.293 3.998 0.295 1
1 1292 . 17 1 1 A 105 105 GLY HA3 H 105 3.657 4.004 -0.347 1
1 1293 . 17 1 1 A 105 105 GLY C C 105 173.635 174.019 -0.384 1
1 1294 . 17 1 1 A 105 105 GLY CA C 105 45.741 46.398 -0.657 1
1 1295 . 17 1 1 A 105 105 GLY N N 105 107.882 108.346 -0.464 1
1 1296 . 17 1 1 A 106 106 VAL H H 106 8.886 7.685 1.201 1
1 1297 . 17 1 1 A 106 106 VAL HA H 106 4.082 4.502 -0.420 1
1 1305 . 17 1 1 A 106 106 VAL C C 106 175.529 174.157 1.372 1
1 1306 . 17 1 1 A 106 106 VAL CA C 106 61.360 59.017 2.343 1
1 1307 . 17 1 1 A 106 106 VAL CB C 106 32.373 35.218 -2.845 1
1 1310 . 17 1 1 A 106 106 VAL N N 106 125.585 119.952 5.633 1
1 1311 . 17 1 1 A 107 107 PRO HA H 107 4.737 4.901 -0.164 1
1 1318 . 17 1 1 A 107 107 PRO C C 107 176.029 176.165 -0.136 1
1 1319 . 17 1 1 A 107 107 PRO CA C 107 62.674 62.488 0.186 1
1 1320 . 17 1 1 A 107 107 PRO CB C 107 31.789 31.153 0.636 1
1 1323 . 17 1 1 A 108 108 GLN H H 108 8.563 8.215 0.348 1
1 1324 . 17 1 1 A 108 108 GLN HA H 108 4.498 4.512 -0.014 1
1 1331 . 17 1 1 A 108 108 GLN C C 108 176.218 176.442 -0.224 1
1 1332 . 17 1 1 A 108 108 GLN CA C 108 54.901 54.948 -0.047 1
1 1333 . 17 1 1 A 108 108 GLN CB C 108 29.514 27.038 2.476 1
1 1336 . 17 1 1 A 108 108 GLN N N 108 122.641 123.575 -0.934 1
1 1338 . 17 1 1 A 109 109 LEU H H 109 8.853 8.152 0.701 1
1 1339 . 17 1 1 A 109 109 LEU HA H 109 4.330 4.683 -0.353 1
1 1349 . 17 1 1 A 109 109 LEU C C 109 178.151 178.220 -0.069 1
1 1350 . 17 1 1 A 109 109 LEU CA C 109 56.522 55.218 1.304 1
1 1351 . 17 1 1 A 109 109 LEU CB C 109 41.883 42.043 -0.160 1
1 1355 . 17 1 1 A 109 109 LEU N N 109 125.974 121.606 4.368 1
1 1356 . 17 1 1 A 110 110 GLY H H 110 8.809 8.277 0.532 1
1 1357 . 17 1 1 A 110 110 GLY HA2 H 110 3.952 3.761 0.191 1
1 1358 . 17 1 1 A 110 110 GLY HA3 H 110 3.551 3.762 -0.211 1
1 1359 . 17 1 1 A 110 110 GLY C C 110 176.002 174.605 1.397 1
1 1360 . 17 1 1 A 110 110 GLY CA C 110 48.748 46.789 1.959 1
1 1361 . 17 1 1 A 110 110 GLY N N 110 109.442 110.158 -0.716 1
1 1362 . 17 1 1 A 111 111 ASP H H 111 8.674 7.922 0.752 1
1 1363 . 17 1 1 A 111 111 ASP HA H 111 4.317 4.377 -0.060 1
1 1366 . 17 1 1 A 111 111 ASP C C 111 177.159 176.877 0.282 1
1 1367 . 17 1 1 A 111 111 ASP CA C 111 56.239 55.022 1.217 1
1 1368 . 17 1 1 A 111 111 ASP CB C 111 39.791 40.193 -0.402 1
1 1369 . 17 1 1 A 111 111 ASP N N 111 119.503 120.294 -0.791 1
1 1370 . 17 1 1 A 112 112 HIS H H 112 7.471 8.083 -0.612 1
1 1371 . 17 1 1 A 112 112 HIS HA H 112 4.481 4.561 -0.080 1
1 1376 . 17 1 1 A 112 112 HIS C C 112 177.121 175.097 2.024 1
1 1377 . 17 1 1 A 112 112 HIS CA C 112 56.692 57.393 -0.701 1
1 1378 . 17 1 1 A 112 112 HIS CB C 112 31.648 31.536 0.112 1
1 1381 . 17 1 1 A 112 112 HIS N N 112 116.681 114.687 1.994 1
1 1382 . 17 1 1 A 113 113 LEU H H 113 7.526 7.855 -0.329 1
1 1383 . 17 1 1 A 113 113 LEU HA H 113 4.148 4.453 -0.305 1
1 1393 . 17 1 1 A 113 113 LEU C C 113 177.363 176.348 1.015 1
1 1394 . 17 1 1 A 113 113 LEU CA C 113 55.509 53.838 1.671 1
1 1395 . 17 1 1 A 113 113 LEU CB C 113 42.009 43.223 -1.214 1
1 1399 . 17 1 1 A 113 113 LEU N N 113 118.976 116.926 2.050 1
1 1400 . 17 1 1 A 114 114 ALA H H 114 7.648 8.503 -0.855 1
1 1401 . 17 1 1 A 114 114 ALA HA H 114 4.227 3.900 0.327 1
1 1405 . 17 1 1 A 114 114 ALA C C 114 177.692 176.380 1.312 1
1 1406 . 17 1 1 A 114 114 ALA CA C 114 52.828 52.630 0.198 1
1 1407 . 17 1 1 A 114 114 ALA CB C 114 18.497 17.841 0.656 1
1 1408 . 17 1 1 A 114 114 ALA N N 114 121.893 121.712 0.181 1
1 1409 . 17 1 1 A 115 115 LEU H H 115 7.764 8.258 -0.494 1
1 1410 . 17 1 1 A 115 115 LEU HA H 115 4.146 4.783 -0.637 1
1 1420 . 17 1 1 A 115 115 LEU C C 115 177.819 175.382 2.437 1
1 1421 . 17 1 1 A 115 115 LEU CA C 115 55.771 54.318 1.453 1
1 1422 . 17 1 1 A 115 115 LEU CB C 115 42.000 43.742 -1.742 1
1 1426 . 17 1 1 A 115 115 LEU N N 115 119.576 123.864 -4.288 1
1 12 . 18 1 1 A 2 2 THR HA H 2 3.833 4.651 -0.818 1
1 17 . 18 1 1 A 2 2 THR C C 2 170.665 174.074 -3.409 1
1 18 . 18 1 1 A 2 2 THR CA C 2 62.154 61.277 0.877 1
1 19 . 18 1 1 A 2 2 THR CB C 2 69.580 69.924 -0.344 1
1 21 . 18 1 1 A 3 3 LEU H H 3 9.068 8.543 0.525 1
1 22 . 18 1 1 A 3 3 LEU HA H 3 4.887 5.089 -0.202 1
1 32 . 18 1 1 A 3 3 LEU C C 3 175.859 175.953 -0.094 1
1 33 . 18 1 1 A 3 3 LEU CA C 3 54.426 53.142 1.284 1
1 34 . 18 1 1 A 3 3 LEU CB C 3 43.222 43.645 -0.423 1
1 38 . 18 1 1 A 3 3 LEU N N 3 129.030 123.179 5.851 1
1 39 . 18 1 1 A 4 4 ILE H H 4 8.897 9.045 -0.148 1
1 40 . 18 1 1 A 4 4 ILE HA H 4 4.753 4.958 -0.205 1
1 50 . 18 1 1 A 4 4 ILE C C 4 174.211 174.289 -0.078 1
1 51 . 18 1 1 A 4 4 ILE CA C 4 59.998 59.147 0.851 1
1 52 . 18 1 1 A 4 4 ILE CB C 4 41.129 39.834 1.295 1
1 56 . 18 1 1 A 4 4 ILE N N 4 115.702 121.636 -5.934 1
1 57 . 18 1 1 A 5 5 TYR H H 5 9.050 9.156 -0.106 1
1 58 . 18 1 1 A 5 5 TYR HA H 5 5.770 5.574 0.196 1
1 65 . 18 1 1 A 5 5 TYR C C 5 175.987 174.611 1.376 1
1 66 . 18 1 1 A 5 5 TYR CA C 5 57.923 56.261 1.662 1
1 67 . 18 1 1 A 5 5 TYR CB C 5 42.963 43.268 -0.305 1
1 72 . 18 1 1 A 5 5 TYR N N 5 114.414 122.177 -7.763 1
1 73 . 18 1 1 A 6 6 LYS H H 6 8.858 8.679 0.179 1
1 74 . 18 1 1 A 6 6 LYS HA H 6 4.813 4.795 0.018 1
1 83 . 18 1 1 A 6 6 LYS C C 6 172.801 174.971 -2.170 1
1 84 . 18 1 1 A 6 6 LYS CA C 6 52.969 55.442 -2.473 1
1 85 . 18 1 1 A 6 6 LYS CB C 6 37.109 35.608 1.501 1
1 89 . 18 1 1 A 6 6 LYS N N 6 121.597 121.112 0.485 1
1 90 . 18 1 1 A 7 7 ILE H H 7 8.277 9.005 -0.728 1
1 91 . 18 1 1 A 7 7 ILE HA H 7 4.702 4.810 -0.108 1
1 101 . 18 1 1 A 7 7 ILE C C 7 173.742 175.024 -1.282 1
1 102 . 18 1 1 A 7 7 ILE CA C 7 60.340 60.512 -0.172 1
1 103 . 18 1 1 A 7 7 ILE CB C 7 38.941 38.467 0.474 1
1 107 . 18 1 1 A 7 7 ILE N N 7 128.212 127.493 0.719 1
1 108 . 18 1 1 A 8 8 LEU H H 8 8.627 8.608 0.019 1
1 109 . 18 1 1 A 8 8 LEU HA H 8 4.757 5.208 -0.451 1
1 119 . 18 1 1 A 8 8 LEU C C 8 173.661 174.782 -1.121 1
1 120 . 18 1 1 A 8 8 LEU CA C 8 54.530 53.806 0.724 1
1 121 . 18 1 1 A 8 8 LEU CB C 8 43.617 44.962 -1.345 1
1 125 . 18 1 1 A 8 8 LEU N N 8 126.590 124.026 2.564 1
1 126 . 18 1 1 A 9 9 SER H H 9 8.546 8.997 -0.451 1
1 127 . 18 1 1 A 9 9 SER HA H 9 4.765 4.683 0.082 1
1 130 . 18 1 1 A 9 9 SER C C 9 175.160 175.579 -0.419 1
1 131 . 18 1 1 A 9 9 SER CA C 9 58.520 58.362 0.158 1
1 132 . 18 1 1 A 9 9 SER CB C 9 65.227 63.981 1.246 1
1 133 . 18 1 1 A 9 9 SER N N 9 115.543 116.258 -0.715 1
1 134 . 18 1 1 A 10 10 ARG H H 10 9.080 9.112 -0.032 1
1 135 . 18 1 1 A 10 10 ARG HA H 10 4.037 4.070 -0.033 1
1 143 . 18 1 1 A 10 10 ARG C C 10 177.847 178.137 -0.290 1
1 144 . 18 1 1 A 10 10 ARG CA C 10 59.210 59.902 -0.692 1
1 145 . 18 1 1 A 10 10 ARG CB C 10 28.776 29.756 -0.980 1
1 148 . 18 1 1 A 10 10 ARG N N 10 123.688 125.110 -1.422 1
1 150 . 18 1 1 A 11 11 ALA H H 11 8.753 7.910 0.843 1
1 151 . 18 1 1 A 11 11 ALA HA H 11 4.248 4.117 0.131 1
1 155 . 18 1 1 A 11 11 ALA C C 11 181.848 179.862 1.986 1
1 156 . 18 1 1 A 11 11 ALA CA C 11 55.483 54.905 0.578 1
1 157 . 18 1 1 A 11 11 ALA CB C 11 18.209 18.415 -0.206 1
1 158 . 18 1 1 A 11 11 ALA N N 11 119.698 121.718 -2.020 1
1 159 . 18 1 1 A 12 12 GLU H H 12 7.957 7.884 0.073 1
1 160 . 18 1 1 A 12 12 GLU HA H 12 4.183 4.250 -0.067 1
1 165 . 18 1 1 A 12 12 GLU C C 12 179.576 178.892 0.684 1
1 166 . 18 1 1 A 12 12 GLU CA C 12 59.103 58.814 0.289 1
1 167 . 18 1 1 A 12 12 GLU CB C 12 31.077 29.774 1.303 1
1 169 . 18 1 1 A 12 12 GLU N N 12 118.210 118.675 -0.465 1
1 170 . 18 1 1 A 13 13 TRP H H 13 8.585 8.196 0.389 1
1 171 . 18 1 1 A 13 13 TRP HA H 13 4.937 4.171 0.766 1
1 180 . 18 1 1 A 13 13 TRP C C 13 176.827 178.202 -1.375 1
1 181 . 18 1 1 A 13 13 TRP CA C 13 57.845 60.777 -2.932 1
1 182 . 18 1 1 A 13 13 TRP CB C 13 31.010 29.238 1.772 1
1 188 . 18 1 1 A 13 13 TRP N N 13 123.646 122.348 1.298 1
1 190 . 18 1 1 A 14 14 ASP H H 14 9.260 8.616 0.644 1
1 191 . 18 1 1 A 14 14 ASP HA H 14 4.048 4.068 -0.020 1
1 194 . 18 1 1 A 14 14 ASP C C 14 180.120 178.375 1.745 1
1 195 . 18 1 1 A 14 14 ASP CA C 14 57.767 57.153 0.614 1
1 196 . 18 1 1 A 14 14 ASP CB C 14 39.467 39.932 -0.465 1
1 197 . 18 1 1 A 14 14 ASP N N 14 120.253 118.745 1.508 1
1 198 . 18 1 1 A 15 15 ALA H H 15 7.599 7.809 -0.210 1
1 199 . 18 1 1 A 15 15 ALA HA H 15 4.163 4.120 0.043 1
1 203 . 18 1 1 A 15 15 ALA C C 15 180.115 179.712 0.403 1
1 204 . 18 1 1 A 15 15 ALA CA C 15 55.016 55.172 -0.156 1
1 205 . 18 1 1 A 15 15 ALA CB C 15 17.871 17.960 -0.089 1
1 206 . 18 1 1 A 15 15 ALA N N 15 122.164 123.007 -0.843 1
1 207 . 18 1 1 A 16 16 ALA H H 16 7.944 8.215 -0.271 1
1 208 . 18 1 1 A 16 16 ALA HA H 16 4.334 4.321 0.013 1
1 212 . 18 1 1 A 16 16 ALA C C 16 180.101 180.022 0.079 1
1 213 . 18 1 1 A 16 16 ALA CA C 16 54.659 55.497 -0.838 1
1 214 . 18 1 1 A 16 16 ALA CB C 16 19.107 18.427 0.680 1
1 215 . 18 1 1 A 16 16 ALA N N 16 122.526 119.886 2.640 1
1 216 . 18 1 1 A 17 17 LYS H H 17 8.317 8.012 0.305 1
1 217 . 18 1 1 A 17 17 LYS HA H 17 3.462 3.852 -0.390 1
1 226 . 18 1 1 A 17 17 LYS C C 17 179.126 179.001 0.125 1
1 227 . 18 1 1 A 17 17 LYS CA C 17 60.077 58.757 1.320 1
1 228 . 18 1 1 A 17 17 LYS CB C 17 31.431 31.742 -0.311 1
1 232 . 18 1 1 A 17 17 LYS N N 17 117.572 116.693 0.879 1
1 233 . 18 1 1 A 18 18 ALA H H 18 7.296 7.772 -0.476 1
1 234 . 18 1 1 A 18 18 ALA HA H 18 4.100 3.962 0.138 1
1 238 . 18 1 1 A 18 18 ALA C C 18 178.940 179.472 -0.532 1
1 239 . 18 1 1 A 18 18 ALA CA C 18 54.513 55.345 -0.832 1
1 240 . 18 1 1 A 18 18 ALA CB C 18 18.132 18.028 0.104 1
1 241 . 18 1 1 A 18 18 ALA N N 18 119.644 121.478 -1.834 1
1 242 . 18 1 1 A 19 19 GLN H H 19 7.443 7.761 -0.318 1
1 243 . 18 1 1 A 19 19 GLN HA H 19 4.535 4.242 0.293 1
1 250 . 18 1 1 A 19 19 GLN C C 19 176.607 176.978 -0.371 1
1 251 . 18 1 1 A 19 19 GLN CA C 19 55.755 55.061 0.694 1
1 252 . 18 1 1 A 19 19 GLN CB C 19 30.075 27.949 2.126 1
1 255 . 18 1 1 A 19 19 GLN N N 19 113.538 112.215 1.323 1
1 257 . 18 1 1 A 20 20 GLY H H 20 8.277 9.188 -0.911 1
1 258 . 18 1 1 A 20 20 GLY HA2 H 20 4.450 3.815 0.635 1
1 259 . 18 1 1 A 20 20 GLY HA3 H 20 3.627 3.835 -0.208 1
1 260 . 18 1 1 A 20 20 GLY C C 20 174.006 173.327 0.679 1
1 261 . 18 1 1 A 20 20 GLY CA C 20 45.567 45.632 -0.065 1
1 262 . 18 1 1 A 20 20 GLY N N 20 108.233 111.906 -3.673 1
1 263 . 18 1 1 A 21 21 ARG H H 21 7.786 7.236 0.550 1
1 264 . 18 1 1 A 21 21 ARG HA H 21 5.123 4.953 0.170 1
1 272 . 18 1 1 A 21 21 ARG C C 21 171.553 173.930 -2.377 1
1 273 . 18 1 1 A 21 21 ARG CA C 21 54.882 54.086 0.796 1
1 274 . 18 1 1 A 21 21 ARG CB C 21 32.114 33.345 -1.231 1
1 277 . 18 1 1 A 21 21 ARG N N 21 116.837 115.807 1.030 1
1 279 . 18 1 1 A 22 22 PHE H H 22 9.821 9.350 0.471 1
1 280 . 18 1 1 A 22 22 PHE HA H 22 5.185 5.294 -0.109 1
1 285 . 18 1 1 A 22 22 PHE C C 22 173.825 173.696 0.129 1
1 286 . 18 1 1 A 22 22 PHE CA C 22 54.913 56.444 -1.531 1
1 287 . 18 1 1 A 22 22 PHE CB C 22 41.568 42.348 -0.780 1
1 290 . 18 1 1 A 22 22 PHE N N 22 121.680 124.055 -2.375 1
1 291 . 18 1 1 A 23 23 GLU H H 23 9.053 8.423 0.630 1
1 292 . 18 1 1 A 23 23 GLU HA H 23 3.893 4.420 -0.527 1
1 297 . 18 1 1 A 23 23 GLU C C 23 174.856 177.056 -2.200 1
1 298 . 18 1 1 A 23 23 GLU CA C 23 56.781 54.683 2.098 1
1 299 . 18 1 1 A 23 23 GLU CB C 23 29.990 31.150 -1.160 1
1 301 . 18 1 1 A 23 23 GLU N N 23 125.059 126.311 -1.252 1
1 302 . 18 1 1 A 24 24 GLY HA2 H 24 4.212 3.715 0.497 1
1 303 . 18 1 1 A 24 24 GLY HA3 H 24 3.112 3.767 -0.655 1
1 304 . 18 1 1 A 24 24 GLY C C 24 173.311 174.325 -1.014 1
1 305 . 18 1 1 A 24 24 GLY CA C 24 45.104 47.484 -2.380 1
1 306 . 18 1 1 A 25 25 SER H H 25 9.877 7.531 2.346 1
1 307 . 18 1 1 A 25 25 SER HA H 25 4.884 4.458 0.426 1
1 310 . 18 1 1 A 25 25 SER C C 25 173.788 173.920 -0.132 1
1 311 . 18 1 1 A 25 25 SER CA C 25 57.549 57.304 0.245 1
1 312 . 18 1 1 A 25 25 SER CB C 25 65.383 64.861 0.522 1
1 313 . 18 1 1 A 25 25 SER N N 25 121.073 110.398 10.675 1
1 314 . 18 1 1 A 26 26 ALA H H 26 9.097 8.799 0.298 1
1 315 . 18 1 1 A 26 26 ALA HA H 26 3.964 3.989 -0.025 1
1 319 . 18 1 1 A 26 26 ALA C C 26 181.102 179.374 1.728 1
1 320 . 18 1 1 A 26 26 ALA CA C 26 56.670 55.704 0.966 1
1 321 . 18 1 1 A 26 26 ALA CB C 26 17.927 18.233 -0.306 1
1 322 . 18 1 1 A 26 26 ALA N N 26 123.398 127.207 -3.809 1
1 323 . 18 1 1 A 27 27 VAL H H 27 7.928 8.005 -0.077 1
1 324 . 18 1 1 A 27 27 VAL HA H 27 3.593 3.742 -0.149 1
1 332 . 18 1 1 A 27 27 VAL C C 27 176.628 176.925 -0.297 1
1 333 . 18 1 1 A 27 27 VAL CA C 27 65.257 64.930 0.327 1
1 334 . 18 1 1 A 27 27 VAL CB C 27 31.688 31.101 0.587 1
1 337 . 18 1 1 A 27 27 VAL N N 27 117.697 116.886 0.811 1
1 338 . 18 1 1 A 28 28 ASP H H 28 6.927 8.312 -1.385 1
1 339 . 18 1 1 A 28 28 ASP HA H 28 4.512 4.165 0.347 1
1 342 . 18 1 1 A 28 28 ASP C C 28 178.402 178.657 -0.255 1
1 343 . 18 1 1 A 28 28 ASP CA C 28 56.586 57.363 -0.777 1
1 344 . 18 1 1 A 28 28 ASP CB C 28 41.317 41.279 0.038 1
1 345 . 18 1 1 A 28 28 ASP N N 28 121.516 121.569 -0.053 1
1 346 . 18 1 1 A 29 29 LEU H H 29 8.309 8.204 0.105 1
1 347 . 18 1 1 A 29 29 LEU HA H 29 3.764 3.879 -0.115 1
1 357 . 18 1 1 A 29 29 LEU C C 29 180.093 179.276 0.817 1
1 358 . 18 1 1 A 29 29 LEU CA C 29 57.091 57.791 -0.700 1
1 359 . 18 1 1 A 29 29 LEU CB C 29 41.418 40.612 0.806 1
1 363 . 18 1 1 A 29 29 LEU N N 29 118.648 119.422 -0.774 1
1 364 . 18 1 1 A 30 30 ALA H H 30 7.458 8.317 -0.859 1
1 365 . 18 1 1 A 30 30 ALA HA H 30 4.000 3.931 0.069 1
1 369 . 18 1 1 A 30 30 ALA C C 30 179.371 179.630 -0.259 1
1 370 . 18 1 1 A 30 30 ALA CA C 30 54.526 55.139 -0.613 1
1 371 . 18 1 1 A 30 30 ALA CB C 30 18.102 17.701 0.401 1
1 372 . 18 1 1 A 30 30 ALA N N 30 120.814 122.367 -1.553 1
1 373 . 18 1 1 A 31 31 ASP H H 31 7.682 7.929 -0.247 1
1 374 . 18 1 1 A 31 31 ASP HA H 31 4.410 4.476 -0.066 1
1 377 . 18 1 1 A 31 31 ASP C C 31 176.610 176.121 0.489 1
1 378 . 18 1 1 A 31 31 ASP CA C 31 55.271 55.313 -0.042 1
1 379 . 18 1 1 A 31 31 ASP CB C 31 40.083 41.612 -1.529 1
1 380 . 18 1 1 A 31 31 ASP N N 31 117.191 117.783 -0.592 1
1 381 . 18 1 1 A 32 32 GLY H H 32 7.909 7.150 0.759 1
1 382 . 18 1 1 A 32 32 GLY HA2 H 32 4.090 3.487 0.603 1
1 383 . 18 1 1 A 32 32 GLY HA3 H 32 3.597 3.501 0.096 1
1 384 . 18 1 1 A 32 32 GLY C C 32 173.168 172.696 0.472 1
1 385 . 18 1 1 A 32 32 GLY CA C 32 45.112 45.427 -0.315 1
1 386 . 18 1 1 A 32 32 GLY N N 32 106.983 106.042 0.941 1
1 387 . 18 1 1 A 33 33 PHE H H 33 7.233 7.760 -0.527 1
1 388 . 18 1 1 A 33 33 PHE HA H 33 4.212 5.110 -0.898 1
1 396 . 18 1 1 A 33 33 PHE C C 33 171.389 175.096 -3.707 1
1 397 . 18 1 1 A 33 33 PHE CA C 33 55.383 56.034 -0.651 1
1 398 . 18 1 1 A 33 33 PHE CB C 33 37.177 42.857 -5.680 1
1 404 . 18 1 1 A 33 33 PHE N N 33 115.364 117.244 -1.880 1
1 405 . 18 1 1 A 34 34 ILE H H 34 8.637 8.118 0.519 1
1 406 . 18 1 1 A 34 34 ILE HA H 34 3.817 3.800 0.017 1
1 416 . 18 1 1 A 34 34 ILE C C 34 177.018 175.884 1.134 1
1 417 . 18 1 1 A 34 34 ILE CA C 34 60.724 62.614 -1.890 1
1 418 . 18 1 1 A 34 34 ILE CB C 34 39.266 37.330 1.936 1
1 422 . 18 1 1 A 34 34 ILE N N 34 114.086 124.983 -10.897 1
1 423 . 18 1 1 A 35 35 HIS H H 35 9.203 8.268 0.935 1
1 424 . 18 1 1 A 35 35 HIS HA H 35 4.448 5.285 -0.837 1
1 428 . 18 1 1 A 35 35 HIS C C 35 175.740 175.598 0.142 1
1 429 . 18 1 1 A 35 35 HIS CA C 35 57.757 55.774 1.983 1
1 430 . 18 1 1 A 35 35 HIS CB C 35 29.758 30.838 -1.080 1
1 432 . 18 1 1 A 35 35 HIS N N 35 127.988 127.142 0.846 1
1 433 . 18 1 1 A 36 36 LEU H H 36 8.454 9.466 -1.012 1
1 434 . 18 1 1 A 36 36 LEU HA H 36 5.190 4.387 0.803 1
1 444 . 18 1 1 A 36 36 LEU C C 36 174.813 176.521 -1.708 1
1 445 . 18 1 1 A 36 36 LEU CA C 36 56.019 56.176 -0.157 1
1 446 . 18 1 1 A 36 36 LEU CB C 36 44.541 42.687 1.854 1
1 450 . 18 1 1 A 36 36 LEU N N 36 126.075 123.519 2.556 1
1 451 . 18 1 1 A 37 37 SER H H 37 9.128 8.172 0.956 1
1 452 . 18 1 1 A 37 37 SER HA H 37 5.277 4.308 0.969 1
1 455 . 18 1 1 A 37 37 SER C C 37 174.433 173.885 0.548 1
1 456 . 18 1 1 A 37 37 SER CA C 37 57.990 59.036 -1.046 1
1 457 . 18 1 1 A 37 37 SER CB C 37 66.778 61.925 4.853 1
1 458 . 18 1 1 A 37 37 SER N N 37 112.795 112.808 -0.013 1
1 459 . 18 1 1 A 38 38 ALA H H 38 9.665 8.106 1.559 1
1 460 . 18 1 1 A 38 38 ALA HA H 38 4.973 4.904 0.069 1
1 464 . 18 1 1 A 38 38 ALA C C 38 179.640 178.498 1.142 1
1 465 . 18 1 1 A 38 38 ALA CA C 38 52.303 51.326 0.977 1
1 466 . 18 1 1 A 38 38 ALA CB C 38 19.350 21.471 -2.121 1
1 467 . 18 1 1 A 38 38 ALA N N 38 127.103 126.227 0.876 1
1 468 . 18 1 1 A 39 39 GLY H H 39 10.159 9.075 1.084 1
1 469 . 18 1 1 A 39 39 GLY HA2 H 39 4.249 3.905 0.344 1
1 470 . 18 1 1 A 39 39 GLY HA3 H 39 3.720 4.008 -0.288 1
1 471 . 18 1 1 A 39 39 GLY C C 39 176.229 175.548 0.681 1
1 472 . 18 1 1 A 39 39 GLY CA C 39 49.163 47.288 1.875 1
1 473 . 18 1 1 A 39 39 GLY N N 39 112.007 108.830 3.177 1
1 474 . 18 1 1 A 40 40 GLU H H 40 9.367 9.033 0.334 1
1 475 . 18 1 1 A 40 40 GLU HA H 40 4.234 4.009 0.225 1
1 480 . 18 1 1 A 40 40 GLU C C 40 176.417 179.241 -2.824 1
1 481 . 18 1 1 A 40 40 GLU CA C 40 58.622 59.358 -0.736 1
1 482 . 18 1 1 A 40 40 GLU CB C 40 28.796 29.386 -0.590 1
1 484 . 18 1 1 A 40 40 GLU N N 40 117.243 126.494 -9.251 1
1 485 . 18 1 1 A 41 41 GLN H H 41 7.503 7.747 -0.244 1
1 486 . 18 1 1 A 41 41 GLN HA H 41 4.752 4.016 0.736 1
1 493 . 18 1 1 A 41 41 GLN C C 41 177.730 178.539 -0.809 1
1 494 . 18 1 1 A 41 41 GLN CA C 41 55.626 58.725 -3.099 1
1 495 . 18 1 1 A 41 41 GLN CB C 41 30.653 28.387 2.266 1
1 498 . 18 1 1 A 41 41 GLN N N 41 115.837 119.398 -3.561 1
1 500 . 18 1 1 A 42 42 ALA H H 42 7.519 8.203 -0.684 1
1 501 . 18 1 1 A 42 42 ALA HA H 42 3.927 3.970 -0.043 1
1 505 . 18 1 1 A 42 42 ALA C C 42 177.826 178.851 -1.025 1
1 506 . 18 1 1 A 42 42 ALA CA C 42 56.706 55.438 1.268 1
1 507 . 18 1 1 A 42 42 ALA CB C 42 18.247 18.257 -0.010 1
1 508 . 18 1 1 A 42 42 ALA N N 42 123.105 122.919 0.186 1
1 509 . 18 1 1 A 43 43 GLN H H 43 9.203 7.912 1.291 1
1 510 . 18 1 1 A 43 43 GLN HA H 43 3.942 3.911 0.031 1
1 517 . 18 1 1 A 43 43 GLN C C 43 177.913 178.408 -0.495 1
1 518 . 18 1 1 A 43 43 GLN CA C 43 58.678 59.048 -0.370 1
1 519 . 18 1 1 A 43 43 GLN CB C 43 28.815 28.049 0.766 1
1 522 . 18 1 1 A 43 43 GLN N N 43 118.650 117.879 0.771 1
1 524 . 18 1 1 A 44 44 GLU H H 44 8.611 8.284 0.327 1
1 525 . 18 1 1 A 44 44 GLU HA H 44 4.207 4.051 0.156 1
1 530 . 18 1 1 A 44 44 GLU C C 44 179.090 179.331 -0.241 1
1 531 . 18 1 1 A 44 44 GLU CA C 44 59.246 59.234 0.012 1
1 532 . 18 1 1 A 44 44 GLU CB C 44 28.850 29.711 -0.861 1
1 534 . 18 1 1 A 44 44 GLU N N 44 122.042 119.302 2.740 1
1 535 . 18 1 1 A 45 45 THR H H 45 8.292 8.182 0.110 1
1 536 . 18 1 1 A 45 45 THR HA H 45 4.123 3.617 0.506 1
1 541 . 18 1 1 A 45 45 THR C C 45 176.228 176.144 0.084 1
1 542 . 18 1 1 A 45 45 THR CA C 45 66.902 65.850 1.052 1
1 543 . 18 1 1 A 45 45 THR CB C 45 68.949 67.891 1.058 1
1 545 . 18 1 1 A 45 45 THR N N 45 117.583 116.640 0.943 1
1 546 . 18 1 1 A 46 46 ALA H H 46 8.275 8.596 -0.321 1
1 547 . 18 1 1 A 46 46 ALA HA H 46 4.255 4.214 0.041 1
1 551 . 18 1 1 A 46 46 ALA C C 46 178.630 180.253 -1.623 1
1 552 . 18 1 1 A 46 46 ALA CA C 46 55.406 55.646 -0.240 1
1 553 . 18 1 1 A 46 46 ALA CB C 46 18.482 17.862 0.620 1
1 554 . 18 1 1 A 46 46 ALA N N 46 123.184 123.466 -0.282 1
1 555 . 18 1 1 A 47 47 ALA H H 47 8.066 7.652 0.414 1
1 556 . 18 1 1 A 47 47 ALA HA H 47 3.953 4.098 -0.145 1
1 560 . 18 1 1 A 47 47 ALA C C 47 178.552 179.888 -1.336 1
1 561 . 18 1 1 A 47 47 ALA CA C 47 55.030 54.920 0.110 1
1 562 . 18 1 1 A 47 47 ALA CB C 47 18.899 18.427 0.472 1
1 563 . 18 1 1 A 47 47 ALA N N 47 117.129 120.746 -3.617 1
1 564 . 18 1 1 A 48 48 LYS H H 48 8.089 7.599 0.490 1
1 565 . 18 1 1 A 48 48 LYS HA H 48 3.936 4.129 -0.193 1
1 574 . 18 1 1 A 48 48 LYS C C 48 179.130 179.572 -0.442 1
1 575 . 18 1 1 A 48 48 LYS CA C 48 58.560 59.198 -0.638 1
1 576 . 18 1 1 A 48 48 LYS CB C 48 33.122 32.479 0.643 1
1 580 . 18 1 1 A 48 48 LYS N N 48 115.322 117.664 -2.342 1
1 581 . 18 1 1 A 49 49 TRP H H 49 7.978 7.864 0.114 1
1 582 . 18 1 1 A 49 49 TRP HA H 49 4.807 4.293 0.514 1
1 591 . 18 1 1 A 49 49 TRP C C 49 176.923 178.338 -1.415 1
1 592 . 18 1 1 A 49 49 TRP CA C 49 57.157 60.029 -2.872 1
1 593 . 18 1 1 A 49 49 TRP CB C 49 31.461 28.864 2.597 1
1 599 . 18 1 1 A 49 49 TRP N N 49 114.492 120.132 -5.640 1
1 601 . 18 1 1 A 50 50 PHE H H 50 7.740 7.957 -0.217 1
1 602 . 18 1 1 A 50 50 PHE HA H 50 4.925 4.427 0.498 1
1 608 . 18 1 1 A 50 50 PHE C C 50 174.160 176.233 -2.073 1
1 609 . 18 1 1 A 50 50 PHE CA C 50 57.772 60.693 -2.921 1
1 610 . 18 1 1 A 50 50 PHE CB C 50 39.610 39.321 0.289 1
1 614 . 18 1 1 A 50 50 PHE N N 50 116.540 117.240 -0.700 1
1 615 . 18 1 1 A 51 51 ARG H H 51 7.389 8.781 -1.392 1
1 616 . 18 1 1 A 51 51 ARG HA H 51 4.198 4.246 -0.048 1
1 624 . 18 1 1 A 51 51 ARG C C 51 179.130 176.037 3.093 1
1 625 . 18 1 1 A 51 51 ARG CA C 51 58.224 58.231 -0.007 1
1 626 . 18 1 1 A 51 51 ARG CB C 51 30.032 30.253 -0.221 1
1 629 . 18 1 1 A 51 51 ARG N N 51 119.136 119.852 -0.716 1
1 631 . 18 1 1 A 52 52 GLY H H 52 10.264 8.559 1.705 1
1 632 . 18 1 1 A 52 52 GLY HA2 H 52 4.180 4.075 0.105 1
1 633 . 18 1 1 A 52 52 GLY HA3 H 52 3.745 4.078 -0.333 1
1 634 . 18 1 1 A 52 52 GLY C C 52 173.980 173.385 0.595 1
1 635 . 18 1 1 A 52 52 GLY CA C 52 45.517 45.860 -0.343 1
1 636 . 18 1 1 A 52 52 GLY N N 52 114.192 105.840 8.352 1
1 637 . 18 1 1 A 53 53 GLN H H 53 7.597 7.946 -0.349 1
1 638 . 18 1 1 A 53 53 GLN HA H 53 4.437 4.771 -0.334 1
1 645 . 18 1 1 A 53 53 GLN C C 53 172.934 176.240 -3.306 1
1 646 . 18 1 1 A 53 53 GLN CA C 53 56.280 54.802 1.478 1
1 647 . 18 1 1 A 53 53 GLN CB C 53 29.123 31.200 -2.077 1
1 650 . 18 1 1 A 53 53 GLN N N 53 120.438 118.840 1.598 1
1 652 . 18 1 1 A 54 54 ALA H H 54 8.190 8.501 -0.311 1
1 653 . 18 1 1 A 54 54 ALA HA H 54 4.344 4.333 0.011 1
1 657 . 18 1 1 A 54 54 ALA C C 54 177.278 177.328 -0.050 1
1 658 . 18 1 1 A 54 54 ALA CA C 54 51.377 53.815 -2.438 1
1 659 . 18 1 1 A 54 54 ALA CB C 54 20.525 19.551 0.974 1
1 660 . 18 1 1 A 54 54 ALA N N 54 124.528 123.314 1.214 1
1 661 . 18 1 1 A 55 55 ASN H H 55 8.903 8.180 0.723 1
1 662 . 18 1 1 A 55 55 ASN HA H 55 4.598 4.792 -0.194 1
1 667 . 18 1 1 A 55 55 ASN C C 55 174.075 174.587 -0.512 1
1 668 . 18 1 1 A 55 55 ASN CA C 55 53.986 52.719 1.267 1
1 669 . 18 1 1 A 55 55 ASN CB C 55 37.654 37.649 0.005 1
1 671 . 18 1 1 A 55 55 ASN N N 55 113.776 113.374 0.402 1
1 673 . 18 1 1 A 56 56 LEU H H 56 8.543 8.133 0.410 1
1 674 . 18 1 1 A 56 56 LEU HA H 56 4.677 4.877 -0.200 1
1 684 . 18 1 1 A 56 56 LEU C C 56 176.806 176.011 0.795 1
1 685 . 18 1 1 A 56 56 LEU CA C 56 54.383 53.345 1.038 1
1 686 . 18 1 1 A 56 56 LEU CB C 56 45.328 42.915 2.413 1
1 690 . 18 1 1 A 56 56 LEU N N 56 117.411 123.891 -6.480 1
1 691 . 18 1 1 A 57 57 VAL H H 57 9.207 9.120 0.087 1
1 692 . 18 1 1 A 57 57 VAL HA H 57 4.633 4.684 -0.051 1
1 700 . 18 1 1 A 57 57 VAL C C 57 172.465 173.887 -1.422 1
1 701 . 18 1 1 A 57 57 VAL CA C 57 59.970 60.664 -0.694 1
1 702 . 18 1 1 A 57 57 VAL CB C 57 35.376 34.349 1.027 1
1 705 . 18 1 1 A 57 57 VAL N N 57 121.448 125.679 -4.231 1
1 706 . 18 1 1 A 58 58 LEU H H 58 8.855 8.944 -0.089 1
1 707 . 18 1 1 A 58 58 LEU HA H 58 4.763 4.940 -0.177 1
1 717 . 18 1 1 A 58 58 LEU C C 58 175.349 174.790 0.559 1
1 718 . 18 1 1 A 58 58 LEU CA C 58 52.286 53.261 -0.975 1
1 719 . 18 1 1 A 58 58 LEU CB C 58 46.390 45.522 0.868 1
1 723 . 18 1 1 A 58 58 LEU N N 58 124.476 128.438 -3.962 1
1 724 . 18 1 1 A 59 59 LEU H H 59 9.265 9.197 0.068 1
1 725 . 18 1 1 A 59 59 LEU HA H 59 4.714 4.609 0.105 1
1 735 . 18 1 1 A 59 59 LEU C C 59 175.262 176.076 -0.814 1
1 736 . 18 1 1 A 59 59 LEU CA C 59 52.753 53.746 -0.993 1
1 737 . 18 1 1 A 59 59 LEU CB C 59 42.431 43.375 -0.944 1
1 741 . 18 1 1 A 59 59 LEU N N 59 125.973 127.879 -1.906 1
1 742 . 18 1 1 A 60 60 ALA H H 60 8.331 9.052 -0.721 1
1 743 . 18 1 1 A 60 60 ALA HA H 60 4.739 5.139 -0.400 1
1 747 . 18 1 1 A 60 60 ALA C C 60 175.631 175.947 -0.316 1
1 748 . 18 1 1 A 60 60 ALA CA C 60 50.320 50.757 -0.437 1
1 749 . 18 1 1 A 60 60 ALA CB C 60 21.744 22.292 -0.548 1
1 750 . 18 1 1 A 60 60 ALA N N 60 124.617 125.800 -1.183 1
1 751 . 18 1 1 A 61 61 VAL H H 61 8.944 9.029 -0.085 1
1 752 . 18 1 1 A 61 61 VAL HA H 61 4.244 4.567 -0.323 1
1 760 . 18 1 1 A 61 61 VAL C C 61 174.674 174.740 -0.066 1
1 761 . 18 1 1 A 61 61 VAL CA C 61 60.770 60.362 0.408 1
1 762 . 18 1 1 A 61 61 VAL CB C 61 36.636 35.499 1.137 1
1 765 . 18 1 1 A 61 61 VAL N N 61 124.079 122.535 1.544 1
1 766 . 18 1 1 A 62 62 GLU H H 62 8.490 8.865 -0.375 1
1 767 . 18 1 1 A 62 62 GLU HA H 62 4.551 4.242 0.309 1
1 772 . 18 1 1 A 62 62 GLU C C 62 177.700 177.767 -0.067 1
1 773 . 18 1 1 A 62 62 GLU CA C 62 56.879 56.533 0.346 1
1 774 . 18 1 1 A 62 62 GLU CB C 62 29.372 29.966 -0.594 1
1 776 . 18 1 1 A 62 62 GLU N N 62 127.752 126.018 1.734 1
1 777 . 18 1 1 A 63 63 ALA H H 63 9.173 9.051 0.122 1
1 778 . 18 1 1 A 63 63 ALA HA H 63 3.991 3.998 -0.007 1
1 782 . 18 1 1 A 63 63 ALA C C 63 180.311 177.839 2.472 1
1 783 . 18 1 1 A 63 63 ALA CA C 63 54.850 55.483 -0.633 1
1 784 . 18 1 1 A 63 63 ALA CB C 63 19.495 18.747 0.748 1
1 785 . 18 1 1 A 63 63 ALA N N 63 127.466 125.866 1.600 1
1 786 . 18 1 1 A 64 64 GLU H H 64 9.571 7.937 1.634 1
1 787 . 18 1 1 A 64 64 GLU HA H 64 4.146 4.322 -0.176 1
1 792 . 18 1 1 A 64 64 GLU C C 64 177.102 177.091 0.011 1
1 793 . 18 1 1 A 64 64 GLU CA C 64 63.532 58.410 5.122 1
1 794 . 18 1 1 A 64 64 GLU CB C 64 25.742 28.435 -2.693 1
1 796 . 18 1 1 A 64 64 GLU N N 64 120.368 114.214 6.154 1
1 797 . 18 1 1 A 65 65 PRO HA H 65 4.440 4.396 0.044 1
1 804 . 18 1 1 A 65 65 PRO C C 65 177.332 176.675 0.657 1
1 805 . 18 1 1 A 65 65 PRO CA C 65 64.973 64.476 0.497 1
1 806 . 18 1 1 A 65 65 PRO CB C 65 31.341 31.522 -0.181 1
1 809 . 18 1 1 A 66 66 LEU H H 66 7.412 8.048 -0.636 1
1 810 . 18 1 1 A 66 66 LEU HA H 66 4.023 4.283 -0.260 1
1 820 . 18 1 1 A 66 66 LEU C C 66 178.533 177.675 0.858 1
1 821 . 18 1 1 A 66 66 LEU CA C 66 55.861 54.533 1.328 1
1 822 . 18 1 1 A 66 66 LEU CB C 66 41.349 41.380 -0.031 1
1 826 . 18 1 1 A 66 66 LEU N N 66 114.991 116.069 -1.078 1
1 827 . 18 1 1 A 67 67 GLY H H 67 7.733 7.823 -0.090 1
1 828 . 18 1 1 A 67 67 GLY HA2 H 67 4.018 3.935 0.083 1
1 829 . 18 1 1 A 67 67 GLY HA3 H 67 3.909 3.960 -0.051 1
1 830 . 18 1 1 A 67 67 GLY C C 67 175.925 174.740 1.185 1
1 831 . 18 1 1 A 67 67 GLY CA C 67 46.054 45.831 0.223 1
1 832 . 18 1 1 A 67 67 GLY N N 67 104.242 109.880 -5.638 1
1 833 . 18 1 1 A 68 68 GLU H H 68 8.887 7.916 0.971 1
1 834 . 18 1 1 A 68 68 GLU HA H 68 4.219 4.261 -0.042 1
1 839 . 18 1 1 A 68 68 GLU C C 68 176.314 178.334 -2.020 1
1 840 . 18 1 1 A 68 68 GLU CA C 68 57.652 58.216 -0.564 1
1 841 . 18 1 1 A 68 68 GLU CB C 68 29.306 29.968 -0.662 1
1 843 . 18 1 1 A 68 68 GLU N N 68 121.253 119.715 1.538 1
1 844 . 18 1 1 A 69 69 ASP H H 69 7.630 7.518 0.112 1
1 845 . 18 1 1 A 69 69 ASP HA H 69 4.587 4.563 0.024 1
1 848 . 18 1 1 A 69 69 ASP C C 69 174.665 175.518 -0.853 1
1 849 . 18 1 1 A 69 69 ASP CA C 69 56.078 55.623 0.455 1
1 850 . 18 1 1 A 69 69 ASP CB C 69 41.572 41.586 -0.014 1
1 851 . 18 1 1 A 69 69 ASP N N 69 116.486 117.614 -1.128 1
1 852 . 18 1 1 A 70 70 LEU H H 70 7.433 7.490 -0.057 1
1 853 . 18 1 1 A 70 70 LEU HA H 70 4.854 5.189 -0.335 1
1 863 . 18 1 1 A 70 70 LEU C C 70 174.259 174.862 -0.603 1
1 864 . 18 1 1 A 70 70 LEU CA C 70 53.281 53.502 -0.221 1
1 865 . 18 1 1 A 70 70 LEU CB C 70 43.024 45.229 -2.205 1
1 869 . 18 1 1 A 70 70 LEU N N 70 121.585 121.025 0.560 1
1 870 . 18 1 1 A 71 71 LYS H H 71 9.114 8.870 0.244 1
1 871 . 18 1 1 A 71 71 LYS HA H 71 4.724 4.989 -0.265 1
1 880 . 18 1 1 A 71 71 LYS C C 71 175.146 174.500 0.646 1
1 881 . 18 1 1 A 71 71 LYS CA C 71 54.024 54.794 -0.770 1
1 882 . 18 1 1 A 71 71 LYS CB C 71 35.469 36.564 -1.095 1
1 886 . 18 1 1 A 71 71 LYS N N 71 126.179 125.676 0.503 1
1 887 . 18 1 1 A 72 72 TRP H H 72 8.981 9.154 -0.173 1
1 888 . 18 1 1 A 72 72 TRP HA H 72 4.720 4.781 -0.061 1
1 897 . 18 1 1 A 72 72 TRP C C 72 176.394 175.568 0.826 1
1 898 . 18 1 1 A 72 72 TRP CA C 72 55.876 56.737 -0.861 1
1 899 . 18 1 1 A 72 72 TRP CB C 72 27.789 28.418 -0.629 1
1 905 . 18 1 1 A 72 72 TRP N N 72 125.904 128.063 -2.159 1
1 907 . 18 1 1 A 73 73 GLU H H 73 8.558 9.018 -0.460 1
1 908 . 18 1 1 A 73 73 GLU HA H 73 4.762 4.870 -0.108 1
1 913 . 18 1 1 A 73 73 GLU C C 73 175.459 175.437 0.022 1
1 914 . 18 1 1 A 73 73 GLU CA C 73 55.208 55.759 -0.551 1
1 915 . 18 1 1 A 73 73 GLU CB C 73 32.615 30.611 2.004 1
1 917 . 18 1 1 A 73 73 GLU N N 73 123.290 124.769 -1.479 1
1 918 . 18 1 1 A 74 74 ALA H H 74 8.962 8.872 0.090 1
1 919 . 18 1 1 A 74 74 ALA HA H 74 4.738 5.063 -0.325 1
1 923 . 18 1 1 A 74 74 ALA C C 74 177.803 177.359 0.444 1
1 924 . 18 1 1 A 74 74 ALA CA C 74 52.246 51.283 0.963 1
1 925 . 18 1 1 A 74 74 ALA CB C 74 20.070 19.937 0.133 1
1 926 . 18 1 1 A 74 74 ALA N N 74 127.315 129.123 -1.808 1
1 927 . 18 1 1 A 75 75 SER H H 75 8.762 9.190 -0.428 1
1 928 . 18 1 1 A 75 75 SER HA H 75 4.850 4.936 -0.086 1
1 931 . 18 1 1 A 75 75 SER C C 75 176.080 174.384 1.696 1
1 932 . 18 1 1 A 75 75 SER CA C 75 56.954 57.558 -0.604 1
1 933 . 18 1 1 A 75 75 SER CB C 75 65.244 63.987 1.257 1
1 934 . 18 1 1 A 75 75 SER N N 75 117.745 121.064 -3.319 1
1 935 . 18 1 1 A 76 76 ARG HA H 76 4.193 4.676 -0.483 1
1 943 . 18 1 1 A 76 76 ARG CA C 76 58.895 57.350 1.545 1
1 944 . 18 1 1 A 76 76 ARG CB C 76 29.877 33.694 -3.817 1
1 947 . 18 1 1 A 77 77 GLY C C 77 175.277 174.697 0.580 1
1 948 . 18 1 1 A 78 78 GLY H H 78 8.045 9.051 -1.006 1
1 949 . 18 1 1 A 78 78 GLY HA2 H 78 4.390 3.956 0.434 1
1 950 . 18 1 1 A 78 78 GLY HA3 H 78 3.786 3.958 -0.172 1
1 951 . 18 1 1 A 78 78 GLY C C 78 173.503 173.970 -0.467 1
1 952 . 18 1 1 A 78 78 GLY CA C 78 45.296 45.652 -0.356 1
1 953 . 18 1 1 A 78 78 GLY N N 78 110.323 115.615 -5.292 1
1 954 . 18 1 1 A 79 79 ALA H H 79 7.879 7.829 0.050 1
1 955 . 18 1 1 A 79 79 ALA HA H 79 4.357 4.103 0.254 1
1 959 . 18 1 1 A 79 79 ALA C C 79 176.674 177.095 -0.421 1
1 960 . 18 1 1 A 79 79 ALA CA C 79 52.151 52.142 0.009 1
1 961 . 18 1 1 A 79 79 ALA CB C 79 20.171 18.716 1.455 1
1 962 . 18 1 1 A 79 79 ALA N N 79 123.865 124.200 -0.335 1
1 963 . 18 1 1 A 80 80 ARG H H 80 8.375 8.659 -0.284 1
1 964 . 18 1 1 A 80 80 ARG HA H 80 4.629 4.730 -0.101 1
1 972 . 18 1 1 A 80 80 ARG C C 80 175.713 174.907 0.806 1
1 973 . 18 1 1 A 80 80 ARG CA C 80 55.622 55.531 0.091 1
1 974 . 18 1 1 A 80 80 ARG CB C 80 32.074 30.709 1.365 1
1 977 . 18 1 1 A 80 80 ARG N N 80 119.145 124.451 -5.306 1
1 979 . 18 1 1 A 81 81 PHE H H 81 8.722 9.126 -0.404 1
1 980 . 18 1 1 A 81 81 PHE HA H 81 5.156 4.894 0.262 1
1 988 . 18 1 1 A 81 81 PHE C C 81 172.806 174.346 -1.540 1
1 989 . 18 1 1 A 81 81 PHE CA C 81 54.950 56.534 -1.584 1
1 990 . 18 1 1 A 81 81 PHE CB C 81 42.240 39.269 2.971 1
1 996 . 18 1 1 A 81 81 PHE N N 81 123.774 124.939 -1.165 1
1 997 . 18 1 1 A 82 82 PRO HA H 82 3.635 4.295 -0.660 1
1 1004 . 18 1 1 A 82 82 PRO C C 82 174.511 175.758 -1.247 1
1 1005 . 18 1 1 A 82 82 PRO CA C 82 61.347 62.737 -1.390 1
1 1006 . 18 1 1 A 82 82 PRO CB C 82 29.495 31.285 -1.790 1
1 1009 . 18 1 1 A 83 83 HIS H H 83 8.831 9.063 -0.232 1
1 1010 . 18 1 1 A 83 83 HIS HA H 83 5.330 5.267 0.063 1
1 1014 . 18 1 1 A 83 83 HIS C C 83 172.952 174.002 -1.050 1
1 1015 . 18 1 1 A 83 83 HIS CA C 83 50.700 55.090 -4.390 1
1 1016 . 18 1 1 A 83 83 HIS CB C 83 33.238 32.048 1.190 1
1 1018 . 18 1 1 A 83 83 HIS N N 83 124.483 123.557 0.926 1
1 1019 . 18 1 1 A 84 84 LEU H H 84 9.063 9.143 -0.080 1
1 1020 . 18 1 1 A 84 84 LEU HA H 84 5.163 4.885 0.278 1
1 1030 . 18 1 1 A 84 84 LEU C C 84 176.699 176.721 -0.022 1
1 1031 . 18 1 1 A 84 84 LEU CA C 84 53.829 53.549 0.280 1
1 1032 . 18 1 1 A 84 84 LEU CB C 84 45.366 43.263 2.103 1
1 1036 . 18 1 1 A 84 84 LEU N N 84 125.218 125.991 -0.773 1
1 1037 . 18 1 1 A 85 85 TYR H H 85 9.058 9.284 -0.226 1
1 1038 . 18 1 1 A 85 85 TYR HA H 85 4.508 4.686 -0.178 1
1 1045 . 18 1 1 A 85 85 TYR C C 85 173.624 175.858 -2.234 1
1 1046 . 18 1 1 A 85 85 TYR CA C 85 60.034 58.785 1.249 1
1 1047 . 18 1 1 A 85 85 TYR CB C 85 36.073 38.636 -2.563 1
1 1052 . 18 1 1 A 85 85 TYR N N 85 131.339 126.219 5.120 1
1 1053 . 18 1 1 A 86 86 ARG H H 86 7.432 7.816 -0.384 1
1 1054 . 18 1 1 A 86 86 ARG HA H 86 4.682 4.991 -0.309 1
1 1062 . 18 1 1 A 86 86 ARG C C 86 171.917 173.829 -1.912 1
1 1063 . 18 1 1 A 86 86 ARG CA C 86 54.953 53.870 1.083 1
1 1064 . 18 1 1 A 86 86 ARG CB C 86 28.209 32.907 -4.698 1
1 1067 . 18 1 1 A 86 86 ARG N N 86 114.399 117.491 -3.092 1
1 1069 . 18 1 1 A 87 87 PRO HA H 87 4.303 4.445 -0.142 1
1 1076 . 18 1 1 A 87 87 PRO C C 87 175.771 176.185 -0.414 1
1 1077 . 18 1 1 A 87 87 PRO CA C 87 63.497 63.260 0.237 1
1 1078 . 18 1 1 A 87 87 PRO CB C 87 32.253 32.182 0.071 1
1 1081 . 18 1 1 A 88 88 LEU H H 88 8.095 8.214 -0.119 1
1 1082 . 18 1 1 A 88 88 LEU HA H 88 4.286 4.619 -0.333 1
1 1092 . 18 1 1 A 88 88 LEU C C 88 175.946 175.474 0.472 1
1 1093 . 18 1 1 A 88 88 LEU CA C 88 53.675 54.347 -0.672 1
1 1094 . 18 1 1 A 88 88 LEU CB C 88 45.548 41.851 3.697 1
1 1098 . 18 1 1 A 88 88 LEU N N 88 125.942 123.092 2.850 1
1 1099 . 18 1 1 A 89 89 LEU H H 89 9.224 7.964 1.260 1
1 1100 . 18 1 1 A 89 89 LEU HA H 89 4.561 4.285 0.276 1
1 1110 . 18 1 1 A 89 89 LEU C C 89 179.295 178.431 0.864 1
1 1111 . 18 1 1 A 89 89 LEU CA C 89 55.212 55.380 -0.168 1
1 1112 . 18 1 1 A 89 89 LEU CB C 89 41.460 41.894 -0.434 1
1 1116 . 18 1 1 A 89 89 LEU N N 89 128.295 128.326 -0.031 1
1 1117 . 18 1 1 A 90 90 VAL H H 90 7.665 8.624 -0.959 1
1 1118 . 18 1 1 A 90 90 VAL HA H 90 3.785 3.836 -0.051 1
1 1126 . 18 1 1 A 90 90 VAL C C 90 178.510 177.999 0.511 1
1 1127 . 18 1 1 A 90 90 VAL CA C 90 66.833 66.159 0.674 1
1 1128 . 18 1 1 A 90 90 VAL CB C 90 31.330 32.154 -0.824 1
1 1131 . 18 1 1 A 90 90 VAL N N 90 122.696 122.684 0.012 1
1 1132 . 18 1 1 A 91 91 SER H H 91 8.134 8.069 0.065 1
1 1133 . 18 1 1 A 91 91 SER HA H 91 4.280 4.217 0.063 1
1 1136 . 18 1 1 A 91 91 SER C C 91 175.328 176.343 -1.015 1
1 1137 . 18 1 1 A 91 91 SER CA C 91 59.822 60.997 -1.175 1
1 1138 . 18 1 1 A 91 91 SER CB C 91 62.512 63.246 -0.734 1
1 1139 . 18 1 1 A 91 91 SER N N 91 112.443 116.563 -4.120 1
1 1140 . 18 1 1 A 92 92 GLU H H 92 7.598 8.156 -0.558 1
1 1141 . 18 1 1 A 92 92 GLU HA H 92 4.221 4.404 -0.183 1
1 1146 . 18 1 1 A 92 92 GLU C C 92 175.722 177.423 -1.701 1
1 1147 . 18 1 1 A 92 92 GLU CA C 92 56.594 58.087 -1.493 1
1 1148 . 18 1 1 A 92 92 GLU CB C 92 29.511 30.045 -0.534 1
1 1150 . 18 1 1 A 92 92 GLU N N 92 120.359 118.862 1.497 1
1 1151 . 18 1 1 A 93 93 VAL H H 93 7.486 7.492 -0.006 1
1 1152 . 18 1 1 A 93 93 VAL HA H 93 4.046 4.297 -0.251 1
1 1160 . 18 1 1 A 93 93 VAL C C 93 176.093 175.687 0.406 1
1 1161 . 18 1 1 A 93 93 VAL CA C 93 63.242 62.828 0.414 1
1 1162 . 18 1 1 A 93 93 VAL CB C 93 32.306 30.120 2.186 1
1 1165 . 18 1 1 A 93 93 VAL N N 93 121.222 120.501 0.721 1
1 1166 . 18 1 1 A 94 94 THR H H 94 9.003 8.664 0.339 1
1 1167 . 18 1 1 A 94 94 THR HA H 94 4.264 4.036 0.228 1
1 1172 . 18 1 1 A 94 94 THR C C 94 174.664 175.387 -0.723 1
1 1173 . 18 1 1 A 94 94 THR CA C 94 64.438 65.966 -1.528 1
1 1174 . 18 1 1 A 94 94 THR CB C 94 69.317 68.727 0.590 1
1 1176 . 18 1 1 A 94 94 THR N N 94 124.794 123.588 1.206 1
1 1177 . 18 1 1 A 95 95 ARG H H 95 7.514 7.572 -0.058 1
1 1178 . 18 1 1 A 95 95 ARG HA H 95 4.646 4.758 -0.112 1
1 1186 . 18 1 1 A 95 95 ARG C C 95 172.989 174.620 -1.631 1
1 1187 . 18 1 1 A 95 95 ARG CA C 95 55.872 54.695 1.177 1
1 1188 . 18 1 1 A 95 95 ARG CB C 95 33.789 34.618 -0.829 1
1 1191 . 18 1 1 A 95 95 ARG N N 95 118.660 118.955 -0.295 1
1 1193 . 18 1 1 A 96 96 GLU H H 96 8.545 8.901 -0.356 1
1 1194 . 18 1 1 A 96 96 GLU HA H 96 5.329 5.358 -0.029 1
1 1199 . 18 1 1 A 96 96 GLU C C 96 174.480 174.515 -0.035 1
1 1200 . 18 1 1 A 96 96 GLU CA C 96 53.415 54.824 -1.409 1
1 1201 . 18 1 1 A 96 96 GLU CB C 96 33.592 33.523 0.069 1
1 1203 . 18 1 1 A 96 96 GLU N N 96 121.828 119.334 2.494 1
1 1204 . 18 1 1 A 97 97 ALA H H 97 8.276 8.140 0.136 1
1 1205 . 18 1 1 A 97 97 ALA HA H 97 4.537 4.786 -0.249 1
1 1209 . 18 1 1 A 97 97 ALA C C 97 175.233 175.860 -0.627 1
1 1210 . 18 1 1 A 97 97 ALA CA C 97 51.368 51.437 -0.069 1
1 1211 . 18 1 1 A 97 97 ALA CB C 97 22.101 22.811 -0.710 1
1 1212 . 18 1 1 A 97 97 ALA N N 97 123.211 121.108 2.103 1
1 1213 . 18 1 1 A 98 98 ASP H H 98 8.399 8.679 -0.280 1
1 1214 . 18 1 1 A 98 98 ASP HA H 98 4.850 4.929 -0.079 1
1 1217 . 18 1 1 A 98 98 ASP C C 98 176.085 176.968 -0.883 1
1 1218 . 18 1 1 A 98 98 ASP CA C 98 54.824 54.268 0.556 1
1 1219 . 18 1 1 A 98 98 ASP CB C 98 41.694 41.219 0.475 1
1 1220 . 18 1 1 A 98 98 ASP N N 98 122.093 120.987 1.106 1
1 1221 . 18 1 1 A 99 99 LEU H H 99 7.854 8.072 -0.218 1
1 1222 . 18 1 1 A 99 99 LEU HA H 99 4.766 4.393 0.373 1
1 1232 . 18 1 1 A 99 99 LEU C C 99 176.250 175.546 0.704 1
1 1233 . 18 1 1 A 99 99 LEU CA C 99 53.544 53.558 -0.014 1
1 1234 . 18 1 1 A 99 99 LEU CB C 99 44.229 43.745 0.484 1
1 1238 . 18 1 1 A 99 99 LEU N N 99 120.272 121.745 -1.473 1
1 1239 . 18 1 1 A 100 100 ASP H H 100 9.215 8.598 0.617 1
1 1240 . 18 1 1 A 100 100 ASP HA H 100 4.935 5.294 -0.359 1
1 1243 . 18 1 1 A 100 100 ASP C C 100 174.956 175.121 -0.165 1
1 1244 . 18 1 1 A 100 100 ASP CA C 100 52.684 52.507 0.177 1
1 1245 . 18 1 1 A 100 100 ASP CB C 100 43.362 44.300 -0.938 1
1 1246 . 18 1 1 A 100 100 ASP N N 100 123.325 119.630 3.695 1
1 1247 . 18 1 1 A 101 101 LEU H H 101 8.526 8.910 -0.384 1
1 1248 . 18 1 1 A 101 101 LEU HA H 101 4.639 4.768 -0.129 1
1 1258 . 18 1 1 A 101 101 LEU C C 101 178.204 176.203 2.001 1
1 1259 . 18 1 1 A 101 101 LEU CA C 101 53.490 53.662 -0.172 1
1 1260 . 18 1 1 A 101 101 LEU CB C 101 44.374 43.366 1.008 1
1 1264 . 18 1 1 A 101 101 LEU N N 101 118.539 127.076 -8.537 1
1 1265 . 18 1 1 A 102 102 ASP H H 102 8.029 8.859 -0.830 1
1 1266 . 18 1 1 A 102 102 ASP HA H 102 4.615 4.750 -0.135 1
1 1269 . 18 1 1 A 102 102 ASP C C 102 178.176 177.210 0.966 1
1 1270 . 18 1 1 A 102 102 ASP CA C 102 52.297 53.038 -0.741 1
1 1271 . 18 1 1 A 102 102 ASP CB C 102 41.108 42.346 -1.238 1
1 1272 . 18 1 1 A 102 102 ASP N N 102 121.008 122.935 -1.927 1
1 1273 . 18 1 1 A 103 103 ALA H H 103 8.384 8.787 -0.403 1
1 1274 . 18 1 1 A 103 103 ALA HA H 103 4.099 3.999 0.100 1
1 1278 . 18 1 1 A 103 103 ALA C C 103 178.527 177.850 0.677 1
1 1279 . 18 1 1 A 103 103 ALA CA C 103 54.648 54.938 -0.290 1
1 1280 . 18 1 1 A 103 103 ALA CB C 103 18.604 18.327 0.277 1
1 1281 . 18 1 1 A 103 103 ALA N N 103 120.139 125.794 -5.655 1
1 1282 . 18 1 1 A 104 104 ASP H H 104 8.033 7.939 0.094 1
1 1283 . 18 1 1 A 104 104 ASP HA H 104 4.811 4.729 0.082 1
1 1286 . 18 1 1 A 104 104 ASP C C 104 176.113 176.474 -0.361 1
1 1287 . 18 1 1 A 104 104 ASP CA C 104 54.077 54.047 0.030 1
1 1288 . 18 1 1 A 104 104 ASP CB C 104 41.899 41.329 0.570 1
1 1289 . 18 1 1 A 104 104 ASP N N 104 116.590 116.638 -0.048 1
1 1290 . 18 1 1 A 105 105 GLY H H 105 8.196 8.451 -0.255 1
1 1291 . 18 1 1 A 105 105 GLY HA2 H 105 4.293 3.988 0.305 1
1 1292 . 18 1 1 A 105 105 GLY HA3 H 105 3.657 3.996 -0.339 1
1 1293 . 18 1 1 A 105 105 GLY C C 105 173.635 174.539 -0.904 1
1 1294 . 18 1 1 A 105 105 GLY CA C 105 45.741 45.057 0.684 1
1 1295 . 18 1 1 A 105 105 GLY N N 105 107.882 107.698 0.184 1
1 1296 . 18 1 1 A 106 106 VAL H H 106 8.886 7.514 1.372 1
1 1297 . 18 1 1 A 106 106 VAL HA H 106 4.082 4.052 0.030 1
1 1305 . 18 1 1 A 106 106 VAL C C 106 175.529 174.553 0.976 1
1 1306 . 18 1 1 A 106 106 VAL CA C 106 61.360 60.947 0.413 1
1 1307 . 18 1 1 A 106 106 VAL CB C 106 32.373 32.324 0.049 1
1 1310 . 18 1 1 A 106 106 VAL N N 106 125.585 121.309 4.276 1
1 1311 . 18 1 1 A 107 107 PRO HA H 107 4.737 4.914 -0.177 1
1 1318 . 18 1 1 A 107 107 PRO C C 107 176.029 176.473 -0.444 1
1 1319 . 18 1 1 A 107 107 PRO CA C 107 62.674 62.897 -0.223 1
1 1320 . 18 1 1 A 107 107 PRO CB C 107 31.789 31.571 0.218 1
1 1323 . 18 1 1 A 108 108 GLN H H 108 8.563 8.345 0.218 1
1 1324 . 18 1 1 A 108 108 GLN HA H 108 4.498 4.493 0.005 1
1 1331 . 18 1 1 A 108 108 GLN C C 108 176.218 176.306 -0.088 1
1 1332 . 18 1 1 A 108 108 GLN CA C 108 54.901 55.094 -0.193 1
1 1333 . 18 1 1 A 108 108 GLN CB C 108 29.514 26.822 2.692 1
1 1336 . 18 1 1 A 108 108 GLN N N 108 122.641 122.917 -0.276 1
1 1338 . 18 1 1 A 109 109 LEU H H 109 8.853 8.245 0.608 1
1 1339 . 18 1 1 A 109 109 LEU HA H 109 4.330 4.662 -0.332 1
1 1349 . 18 1 1 A 109 109 LEU C C 109 178.151 178.110 0.041 1
1 1350 . 18 1 1 A 109 109 LEU CA C 109 56.522 54.636 1.886 1
1 1351 . 18 1 1 A 109 109 LEU CB C 109 41.883 42.013 -0.130 1
1 1355 . 18 1 1 A 109 109 LEU N N 109 125.974 120.558 5.416 1
1 1356 . 18 1 1 A 110 110 GLY H H 110 8.809 8.119 0.690 1
1 1357 . 18 1 1 A 110 110 GLY HA2 H 110 3.952 3.799 0.153 1
1 1358 . 18 1 1 A 110 110 GLY HA3 H 110 3.551 3.811 -0.260 1
1 1359 . 18 1 1 A 110 110 GLY C C 110 176.002 175.713 0.289 1
1 1360 . 18 1 1 A 110 110 GLY CA C 110 48.748 47.372 1.376 1
1 1361 . 18 1 1 A 110 110 GLY N N 110 109.442 110.171 -0.729 1
1 1362 . 18 1 1 A 111 111 ASP H H 111 8.674 7.920 0.754 1
1 1363 . 18 1 1 A 111 111 ASP HA H 111 4.317 4.412 -0.095 1
1 1366 . 18 1 1 A 111 111 ASP C C 111 177.159 178.532 -1.373 1
1 1367 . 18 1 1 A 111 111 ASP CA C 111 56.239 56.188 0.051 1
1 1368 . 18 1 1 A 111 111 ASP CB C 111 39.791 40.633 -0.842 1
1 1369 . 18 1 1 A 111 111 ASP N N 111 119.503 121.720 -2.217 1
1 1370 . 18 1 1 A 112 112 HIS H H 112 7.471 8.130 -0.659 1
1 1371 . 18 1 1 A 112 112 HIS HA H 112 4.481 4.214 0.267 1
1 1376 . 18 1 1 A 112 112 HIS C C 112 177.121 174.968 2.153 1
1 1377 . 18 1 1 A 112 112 HIS CA C 112 56.692 58.885 -2.193 1
1 1378 . 18 1 1 A 112 112 HIS CB C 112 31.648 29.951 1.697 1
1 1381 . 18 1 1 A 112 112 HIS N N 112 116.681 121.093 -4.412 1
1 1382 . 18 1 1 A 113 113 LEU H H 113 7.526 7.483 0.043 1
1 1383 . 18 1 1 A 113 113 LEU HA H 113 4.148 4.538 -0.390 1
1 1393 . 18 1 1 A 113 113 LEU C C 113 177.363 175.832 1.531 1
1 1394 . 18 1 1 A 113 113 LEU CA C 113 55.509 53.530 1.979 1
1 1395 . 18 1 1 A 113 113 LEU CB C 113 42.009 43.081 -1.072 1
1 1399 . 18 1 1 A 113 113 LEU N N 113 118.976 118.488 0.488 1
1 1400 . 18 1 1 A 114 114 ALA H H 114 7.648 8.363 -0.715 1
1 1401 . 18 1 1 A 114 114 ALA HA H 114 4.227 4.382 -0.155 1
1 1405 . 18 1 1 A 114 114 ALA C C 114 177.692 178.598 -0.906 1
1 1406 . 18 1 1 A 114 114 ALA CA C 114 52.828 52.804 0.024 1
1 1407 . 18 1 1 A 114 114 ALA CB C 114 18.497 19.057 -0.560 1
1 1408 . 18 1 1 A 114 114 ALA N N 114 121.893 122.763 -0.870 1
1 1409 . 18 1 1 A 115 115 LEU H H 115 7.764 8.942 -1.178 1
1 1410 . 18 1 1 A 115 115 LEU HA H 115 4.146 4.304 -0.158 1
1 1420 . 18 1 1 A 115 115 LEU C C 115 177.819 176.405 1.414 1
1 1421 . 18 1 1 A 115 115 LEU CA C 115 55.771 56.145 -0.374 1
1 1422 . 18 1 1 A 115 115 LEU CB C 115 42.000 43.073 -1.073 1
1 1426 . 18 1 1 A 115 115 LEU N N 115 119.576 127.452 -7.876 1
1 12 . 19 1 1 A 2 2 THR HA H 2 3.833 5.005 -1.172 1
1 17 . 19 1 1 A 2 2 THR C C 2 170.665 172.479 -1.814 1
1 18 . 19 1 1 A 2 2 THR CA C 2 62.154 60.162 1.992 1
1 19 . 19 1 1 A 2 2 THR CB C 2 69.580 68.944 0.636 1
1 21 . 19 1 1 A 3 3 LEU H H 3 9.068 8.982 0.086 1
1 22 . 19 1 1 A 3 3 LEU HA H 3 4.887 4.672 0.215 1
1 32 . 19 1 1 A 3 3 LEU C C 3 175.859 176.451 -0.592 1
1 33 . 19 1 1 A 3 3 LEU CA C 3 54.426 53.709 0.717 1
1 34 . 19 1 1 A 3 3 LEU CB C 3 43.222 41.505 1.717 1
1 38 . 19 1 1 A 3 3 LEU N N 3 129.030 127.557 1.473 1
1 39 . 19 1 1 A 4 4 ILE H H 4 8.897 8.868 0.029 1
1 40 . 19 1 1 A 4 4 ILE HA H 4 4.753 4.927 -0.174 1
1 50 . 19 1 1 A 4 4 ILE C C 4 174.211 174.498 -0.287 1
1 51 . 19 1 1 A 4 4 ILE CA C 4 59.998 59.660 0.338 1
1 52 . 19 1 1 A 4 4 ILE CB C 4 41.129 39.319 1.810 1
1 56 . 19 1 1 A 4 4 ILE N N 4 115.702 122.523 -6.821 1
1 57 . 19 1 1 A 5 5 TYR H H 5 9.050 9.214 -0.164 1
1 58 . 19 1 1 A 5 5 TYR HA H 5 5.770 5.505 0.265 1
1 65 . 19 1 1 A 5 5 TYR C C 5 175.987 174.741 1.246 1
1 66 . 19 1 1 A 5 5 TYR CA C 5 57.923 56.459 1.464 1
1 67 . 19 1 1 A 5 5 TYR CB C 5 42.963 42.084 0.879 1
1 72 . 19 1 1 A 5 5 TYR N N 5 114.414 122.683 -8.269 1
1 73 . 19 1 1 A 6 6 LYS H H 6 8.858 8.397 0.461 1
1 74 . 19 1 1 A 6 6 LYS HA H 6 4.813 4.746 0.067 1
1 83 . 19 1 1 A 6 6 LYS C C 6 172.801 174.684 -1.883 1
1 84 . 19 1 1 A 6 6 LYS CA C 6 52.969 55.196 -2.227 1
1 85 . 19 1 1 A 6 6 LYS CB C 6 37.109 36.069 1.040 1
1 89 . 19 1 1 A 6 6 LYS N N 6 121.597 122.023 -0.426 1
1 90 . 19 1 1 A 7 7 ILE H H 7 8.277 8.793 -0.516 1
1 91 . 19 1 1 A 7 7 ILE HA H 7 4.702 4.661 0.041 1
1 101 . 19 1 1 A 7 7 ILE C C 7 173.742 174.479 -0.737 1
1 102 . 19 1 1 A 7 7 ILE CA C 7 60.340 59.946 0.394 1
1 103 . 19 1 1 A 7 7 ILE CB C 7 38.941 38.965 -0.024 1
1 107 . 19 1 1 A 7 7 ILE N N 7 128.212 128.426 -0.214 1
1 108 . 19 1 1 A 8 8 LEU H H 8 8.627 8.332 0.295 1
1 109 . 19 1 1 A 8 8 LEU HA H 8 4.757 4.501 0.256 1
1 119 . 19 1 1 A 8 8 LEU C C 8 173.661 174.456 -0.795 1
1 120 . 19 1 1 A 8 8 LEU CA C 8 54.530 53.538 0.992 1
1 121 . 19 1 1 A 8 8 LEU CB C 8 43.617 44.539 -0.922 1
1 125 . 19 1 1 A 8 8 LEU N N 8 126.590 121.681 4.909 1
1 126 . 19 1 1 A 9 9 SER H H 9 8.546 8.780 -0.234 1
1 127 . 19 1 1 A 9 9 SER HA H 9 4.765 4.627 0.138 1
1 130 . 19 1 1 A 9 9 SER C C 9 175.160 175.563 -0.403 1
1 131 . 19 1 1 A 9 9 SER CA C 9 58.520 57.972 0.548 1
1 132 . 19 1 1 A 9 9 SER CB C 9 65.227 64.129 1.098 1
1 133 . 19 1 1 A 9 9 SER N N 9 115.543 116.539 -0.996 1
1 134 . 19 1 1 A 10 10 ARG H H 10 9.080 8.968 0.112 1
1 135 . 19 1 1 A 10 10 ARG HA H 10 4.037 4.091 -0.054 1
1 143 . 19 1 1 A 10 10 ARG C C 10 177.847 177.935 -0.088 1
1 144 . 19 1 1 A 10 10 ARG CA C 10 59.210 59.497 -0.287 1
1 145 . 19 1 1 A 10 10 ARG CB C 10 28.776 29.657 -0.881 1
1 148 . 19 1 1 A 10 10 ARG N N 10 123.688 124.905 -1.217 1
1 150 . 19 1 1 A 11 11 ALA H H 11 8.753 7.836 0.917 1
1 151 . 19 1 1 A 11 11 ALA HA H 11 4.248 4.110 0.138 1
1 155 . 19 1 1 A 11 11 ALA C C 11 181.848 180.546 1.302 1
1 156 . 19 1 1 A 11 11 ALA CA C 11 55.483 55.413 0.070 1
1 157 . 19 1 1 A 11 11 ALA CB C 11 18.209 18.354 -0.145 1
1 158 . 19 1 1 A 11 11 ALA N N 11 119.698 122.122 -2.424 1
1 159 . 19 1 1 A 12 12 GLU H H 12 7.957 8.230 -0.273 1
1 160 . 19 1 1 A 12 12 GLU HA H 12 4.183 4.201 -0.018 1
1 165 . 19 1 1 A 12 12 GLU C C 12 179.576 179.028 0.548 1
1 166 . 19 1 1 A 12 12 GLU CA C 12 59.103 58.910 0.193 1
1 167 . 19 1 1 A 12 12 GLU CB C 12 31.077 29.575 1.502 1
1 169 . 19 1 1 A 12 12 GLU N N 12 118.210 117.551 0.659 1
1 170 . 19 1 1 A 13 13 TRP H H 13 8.585 8.248 0.337 1
1 171 . 19 1 1 A 13 13 TRP HA H 13 4.937 4.219 0.718 1
1 180 . 19 1 1 A 13 13 TRP C C 13 176.827 177.781 -0.954 1
1 181 . 19 1 1 A 13 13 TRP CA C 13 57.845 60.787 -2.942 1
1 182 . 19 1 1 A 13 13 TRP CB C 13 31.010 29.419 1.591 1
1 188 . 19 1 1 A 13 13 TRP N N 13 123.646 122.006 1.640 1
1 190 . 19 1 1 A 14 14 ASP H H 14 9.260 8.526 0.734 1
1 191 . 19 1 1 A 14 14 ASP HA H 14 4.048 4.092 -0.044 1
1 194 . 19 1 1 A 14 14 ASP C C 14 180.120 178.237 1.883 1
1 195 . 19 1 1 A 14 14 ASP CA C 14 57.767 57.431 0.336 1
1 196 . 19 1 1 A 14 14 ASP CB C 14 39.467 41.077 -1.610 1
1 197 . 19 1 1 A 14 14 ASP N N 14 120.253 119.292 0.961 1
1 198 . 19 1 1 A 15 15 ALA H H 15 7.599 8.081 -0.482 1
1 199 . 19 1 1 A 15 15 ALA HA H 15 4.163 4.006 0.157 1
1 203 . 19 1 1 A 15 15 ALA C C 15 180.115 180.011 0.104 1
1 204 . 19 1 1 A 15 15 ALA CA C 15 55.016 54.863 0.153 1
1 205 . 19 1 1 A 15 15 ALA CB C 15 17.871 18.248 -0.377 1
1 206 . 19 1 1 A 15 15 ALA N N 15 122.164 121.341 0.823 1
1 207 . 19 1 1 A 16 16 ALA H H 16 7.944 8.126 -0.182 1
1 208 . 19 1 1 A 16 16 ALA HA H 16 4.334 4.121 0.213 1
1 212 . 19 1 1 A 16 16 ALA C C 16 180.101 179.717 0.384 1
1 213 . 19 1 1 A 16 16 ALA CA C 16 54.659 55.129 -0.470 1
1 214 . 19 1 1 A 16 16 ALA CB C 16 19.107 18.250 0.857 1
1 215 . 19 1 1 A 16 16 ALA N N 16 122.526 120.710 1.816 1
1 216 . 19 1 1 A 17 17 LYS H H 17 8.317 7.663 0.654 1
1 217 . 19 1 1 A 17 17 LYS HA H 17 3.462 3.892 -0.430 1
1 226 . 19 1 1 A 17 17 LYS C C 17 179.126 179.596 -0.470 1
1 227 . 19 1 1 A 17 17 LYS CA C 17 60.077 59.234 0.843 1
1 228 . 19 1 1 A 17 17 LYS CB C 17 31.431 31.859 -0.428 1
1 232 . 19 1 1 A 17 17 LYS N N 17 117.572 116.359 1.213 1
1 233 . 19 1 1 A 18 18 ALA H H 18 7.296 7.838 -0.542 1
1 234 . 19 1 1 A 18 18 ALA HA H 18 4.100 4.020 0.080 1
1 238 . 19 1 1 A 18 18 ALA C C 18 178.940 178.005 0.935 1
1 239 . 19 1 1 A 18 18 ALA CA C 18 54.513 54.424 0.089 1
1 240 . 19 1 1 A 18 18 ALA CB C 18 18.132 18.360 -0.228 1
1 241 . 19 1 1 A 18 18 ALA N N 18 119.644 120.624 -0.980 1
1 242 . 19 1 1 A 19 19 GLN H H 19 7.443 7.608 -0.165 1
1 243 . 19 1 1 A 19 19 GLN HA H 19 4.535 4.340 0.195 1
1 250 . 19 1 1 A 19 19 GLN C C 19 176.607 177.049 -0.442 1
1 251 . 19 1 1 A 19 19 GLN CA C 19 55.755 54.667 1.088 1
1 252 . 19 1 1 A 19 19 GLN CB C 19 30.075 28.587 1.488 1
1 255 . 19 1 1 A 19 19 GLN N N 19 113.538 113.276 0.262 1
1 257 . 19 1 1 A 20 20 GLY H H 20 8.277 9.020 -0.743 1
1 258 . 19 1 1 A 20 20 GLY HA2 H 20 4.450 3.799 0.651 1
1 259 . 19 1 1 A 20 20 GLY HA3 H 20 3.627 3.824 -0.197 1
1 260 . 19 1 1 A 20 20 GLY C C 20 174.006 173.318 0.688 1
1 261 . 19 1 1 A 20 20 GLY CA C 20 45.567 45.633 -0.066 1
1 262 . 19 1 1 A 20 20 GLY N N 20 108.233 111.528 -3.295 1
1 263 . 19 1 1 A 21 21 ARG H H 21 7.786 7.208 0.578 1
1 264 . 19 1 1 A 21 21 ARG HA H 21 5.123 4.999 0.124 1
1 272 . 19 1 1 A 21 21 ARG C C 21 171.553 174.309 -2.756 1
1 273 . 19 1 1 A 21 21 ARG CA C 21 54.882 54.055 0.827 1
1 274 . 19 1 1 A 21 21 ARG CB C 21 32.114 33.811 -1.697 1
1 277 . 19 1 1 A 21 21 ARG N N 21 116.837 115.857 0.980 1
1 279 . 19 1 1 A 22 22 PHE H H 22 9.821 9.331 0.490 1
1 280 . 19 1 1 A 22 22 PHE HA H 22 5.185 5.235 -0.050 1
1 285 . 19 1 1 A 22 22 PHE C C 22 173.825 174.660 -0.835 1
1 286 . 19 1 1 A 22 22 PHE CA C 22 54.913 57.274 -2.361 1
1 287 . 19 1 1 A 22 22 PHE CB C 22 41.568 42.757 -1.189 1
1 290 . 19 1 1 A 22 22 PHE N N 22 121.680 121.115 0.565 1
1 291 . 19 1 1 A 23 23 GLU H H 23 9.053 8.336 0.717 1
1 292 . 19 1 1 A 23 23 GLU HA H 23 3.893 3.868 0.025 1
1 297 . 19 1 1 A 23 23 GLU C C 23 174.856 176.091 -1.235 1
1 298 . 19 1 1 A 23 23 GLU CA C 23 56.781 58.313 -1.532 1
1 299 . 19 1 1 A 23 23 GLU CB C 23 29.990 28.389 1.601 1
1 301 . 19 1 1 A 23 23 GLU N N 23 125.059 125.747 -0.688 1
1 302 . 19 1 1 A 24 24 GLY HA2 H 24 4.212 3.833 0.379 1
1 303 . 19 1 1 A 24 24 GLY HA3 H 24 3.112 3.836 -0.724 1
1 304 . 19 1 1 A 24 24 GLY C C 24 173.311 173.892 -0.581 1
1 305 . 19 1 1 A 24 24 GLY CA C 24 45.104 46.028 -0.924 1
1 306 . 19 1 1 A 25 25 SER H H 25 9.877 7.932 1.945 1
1 307 . 19 1 1 A 25 25 SER HA H 25 4.884 4.652 0.232 1
1 310 . 19 1 1 A 25 25 SER C C 25 173.788 175.324 -1.536 1
1 311 . 19 1 1 A 25 25 SER CA C 25 57.549 56.870 0.679 1
1 312 . 19 1 1 A 25 25 SER CB C 25 65.383 65.128 0.255 1
1 313 . 19 1 1 A 25 25 SER N N 25 121.073 115.340 5.733 1
1 314 . 19 1 1 A 26 26 ALA H H 26 9.097 8.968 0.129 1
1 315 . 19 1 1 A 26 26 ALA HA H 26 3.964 3.956 0.008 1
1 319 . 19 1 1 A 26 26 ALA C C 26 181.102 179.857 1.245 1
1 320 . 19 1 1 A 26 26 ALA CA C 26 56.670 55.561 1.109 1
1 321 . 19 1 1 A 26 26 ALA CB C 26 17.927 18.060 -0.133 1
1 322 . 19 1 1 A 26 26 ALA N N 26 123.398 127.358 -3.960 1
1 323 . 19 1 1 A 27 27 VAL H H 27 7.928 7.997 -0.069 1
1 324 . 19 1 1 A 27 27 VAL HA H 27 3.593 3.361 0.232 1
1 332 . 19 1 1 A 27 27 VAL C C 27 176.628 177.794 -1.166 1
1 333 . 19 1 1 A 27 27 VAL CA C 27 65.257 66.668 -1.411 1
1 334 . 19 1 1 A 27 27 VAL CB C 27 31.688 31.321 0.367 1
1 337 . 19 1 1 A 27 27 VAL N N 27 117.697 118.448 -0.751 1
1 338 . 19 1 1 A 28 28 ASP H H 28 6.927 8.080 -1.153 1
1 339 . 19 1 1 A 28 28 ASP HA H 28 4.512 4.304 0.208 1
1 342 . 19 1 1 A 28 28 ASP C C 28 178.402 178.652 -0.250 1
1 343 . 19 1 1 A 28 28 ASP CA C 28 56.586 57.618 -1.032 1
1 344 . 19 1 1 A 28 28 ASP CB C 28 41.317 41.309 0.008 1
1 345 . 19 1 1 A 28 28 ASP N N 28 121.516 120.319 1.197 1
1 346 . 19 1 1 A 29 29 LEU H H 29 8.309 7.996 0.313 1
1 347 . 19 1 1 A 29 29 LEU HA H 29 3.764 4.067 -0.303 1
1 357 . 19 1 1 A 29 29 LEU C C 29 180.093 179.806 0.287 1
1 358 . 19 1 1 A 29 29 LEU CA C 29 57.091 57.379 -0.288 1
1 359 . 19 1 1 A 29 29 LEU CB C 29 41.418 40.922 0.496 1
1 363 . 19 1 1 A 29 29 LEU N N 29 118.648 119.551 -0.903 1
1 364 . 19 1 1 A 30 30 ALA H H 30 7.458 8.029 -0.571 1
1 365 . 19 1 1 A 30 30 ALA HA H 30 4.000 4.041 -0.041 1
1 369 . 19 1 1 A 30 30 ALA C C 30 179.371 178.848 0.523 1
1 370 . 19 1 1 A 30 30 ALA CA C 30 54.526 55.203 -0.677 1
1 371 . 19 1 1 A 30 30 ALA CB C 30 18.102 18.725 -0.623 1
1 372 . 19 1 1 A 30 30 ALA N N 30 120.814 121.838 -1.024 1
1 373 . 19 1 1 A 31 31 ASP H H 31 7.682 7.877 -0.195 1
1 374 . 19 1 1 A 31 31 ASP HA H 31 4.410 4.501 -0.091 1
1 377 . 19 1 1 A 31 31 ASP C C 31 176.610 175.929 0.681 1
1 378 . 19 1 1 A 31 31 ASP CA C 31 55.271 54.199 1.072 1
1 379 . 19 1 1 A 31 31 ASP CB C 31 40.083 41.248 -1.165 1
1 380 . 19 1 1 A 31 31 ASP N N 31 117.191 115.340 1.851 1
1 381 . 19 1 1 A 32 32 GLY H H 32 7.909 8.174 -0.265 1
1 382 . 19 1 1 A 32 32 GLY HA2 H 32 4.090 3.846 0.244 1
1 383 . 19 1 1 A 32 32 GLY HA3 H 32 3.597 3.931 -0.334 1
1 384 . 19 1 1 A 32 32 GLY C C 32 173.168 173.361 -0.193 1
1 385 . 19 1 1 A 32 32 GLY CA C 32 45.112 45.160 -0.048 1
1 386 . 19 1 1 A 32 32 GLY N N 32 106.983 107.147 -0.164 1
1 387 . 19 1 1 A 33 33 PHE H H 33 7.233 6.977 0.256 1
1 388 . 19 1 1 A 33 33 PHE HA H 33 4.212 4.851 -0.639 1
1 396 . 19 1 1 A 33 33 PHE C C 33 171.389 173.483 -2.094 1
1 397 . 19 1 1 A 33 33 PHE CA C 33 55.383 55.651 -0.268 1
1 398 . 19 1 1 A 33 33 PHE CB C 33 37.177 40.119 -2.942 1
1 404 . 19 1 1 A 33 33 PHE N N 33 115.364 114.230 1.134 1
1 405 . 19 1 1 A 34 34 ILE H H 34 8.637 8.640 -0.003 1
1 406 . 19 1 1 A 34 34 ILE HA H 34 3.817 4.420 -0.603 1
1 416 . 19 1 1 A 34 34 ILE C C 34 177.018 176.046 0.972 1
1 417 . 19 1 1 A 34 34 ILE CA C 34 60.724 61.305 -0.581 1
1 418 . 19 1 1 A 34 34 ILE CB C 34 39.266 38.276 0.990 1
1 422 . 19 1 1 A 34 34 ILE N N 34 114.086 121.177 -7.091 1
1 423 . 19 1 1 A 35 35 HIS H H 35 9.203 9.403 -0.200 1
1 424 . 19 1 1 A 35 35 HIS HA H 35 4.448 5.391 -0.943 1
1 428 . 19 1 1 A 35 35 HIS C C 35 175.740 174.450 1.290 1
1 429 . 19 1 1 A 35 35 HIS CA C 35 57.757 54.116 3.641 1
1 430 . 19 1 1 A 35 35 HIS CB C 35 29.758 32.245 -2.487 1
1 432 . 19 1 1 A 35 35 HIS N N 35 127.988 125.057 2.931 1
1 433 . 19 1 1 A 36 36 LEU H H 36 8.454 8.878 -0.424 1
1 434 . 19 1 1 A 36 36 LEU HA H 36 5.190 4.982 0.208 1
1 444 . 19 1 1 A 36 36 LEU C C 36 174.813 175.799 -0.986 1
1 445 . 19 1 1 A 36 36 LEU CA C 36 56.019 53.136 2.883 1
1 446 . 19 1 1 A 36 36 LEU CB C 36 44.541 45.177 -0.636 1
1 450 . 19 1 1 A 36 36 LEU N N 36 126.075 124.991 1.084 1
1 451 . 19 1 1 A 37 37 SER H H 37 9.128 8.492 0.636 1
1 452 . 19 1 1 A 37 37 SER HA H 37 5.277 5.041 0.236 1
1 455 . 19 1 1 A 37 37 SER C C 37 174.433 173.632 0.801 1
1 456 . 19 1 1 A 37 37 SER CA C 37 57.990 57.692 0.298 1
1 457 . 19 1 1 A 37 37 SER CB C 37 66.778 67.056 -0.278 1
1 458 . 19 1 1 A 37 37 SER N N 37 112.795 116.183 -3.388 1
1 459 . 19 1 1 A 38 38 ALA H H 38 9.665 8.653 1.012 1
1 460 . 19 1 1 A 38 38 ALA HA H 38 4.973 4.835 0.138 1
1 464 . 19 1 1 A 38 38 ALA C C 38 179.640 178.255 1.385 1
1 465 . 19 1 1 A 38 38 ALA CA C 38 52.303 51.072 1.231 1
1 466 . 19 1 1 A 38 38 ALA CB C 38 19.350 20.239 -0.889 1
1 467 . 19 1 1 A 38 38 ALA N N 38 127.103 125.932 1.171 1
1 468 . 19 1 1 A 39 39 GLY H H 39 10.159 8.852 1.307 1
1 469 . 19 1 1 A 39 39 GLY HA2 H 39 4.249 3.653 0.596 1
1 470 . 19 1 1 A 39 39 GLY HA3 H 39 3.720 3.744 -0.024 1
1 471 . 19 1 1 A 39 39 GLY C C 39 176.229 175.741 0.488 1
1 472 . 19 1 1 A 39 39 GLY CA C 39 49.163 47.286 1.877 1
1 473 . 19 1 1 A 39 39 GLY N N 39 112.007 106.198 5.809 1
1 474 . 19 1 1 A 40 40 GLU H H 40 9.367 8.354 1.013 1
1 475 . 19 1 1 A 40 40 GLU HA H 40 4.234 4.015 0.219 1
1 480 . 19 1 1 A 40 40 GLU C C 40 176.417 178.851 -2.434 1
1 481 . 19 1 1 A 40 40 GLU CA C 40 58.622 59.398 -0.776 1
1 482 . 19 1 1 A 40 40 GLU CB C 40 28.796 29.114 -0.318 1
1 484 . 19 1 1 A 40 40 GLU N N 40 117.243 122.251 -5.008 1
1 485 . 19 1 1 A 41 41 GLN H H 41 7.503 8.057 -0.554 1
1 486 . 19 1 1 A 41 41 GLN HA H 41 4.752 4.166 0.586 1
1 493 . 19 1 1 A 41 41 GLN C C 41 177.730 178.023 -0.293 1
1 494 . 19 1 1 A 41 41 GLN CA C 41 55.626 59.503 -3.877 1
1 495 . 19 1 1 A 41 41 GLN CB C 41 30.653 30.045 0.608 1
1 498 . 19 1 1 A 41 41 GLN N N 41 115.837 119.615 -3.778 1
1 500 . 19 1 1 A 42 42 ALA H H 42 7.519 8.510 -0.991 1
1 501 . 19 1 1 A 42 42 ALA HA H 42 3.927 4.057 -0.130 1
1 505 . 19 1 1 A 42 42 ALA C C 42 177.826 179.117 -1.291 1
1 506 . 19 1 1 A 42 42 ALA CA C 42 56.706 55.149 1.557 1
1 507 . 19 1 1 A 42 42 ALA CB C 42 18.247 18.154 0.093 1
1 508 . 19 1 1 A 42 42 ALA N N 42 123.105 121.631 1.474 1
1 509 . 19 1 1 A 43 43 GLN H H 43 9.203 7.756 1.447 1
1 510 . 19 1 1 A 43 43 GLN HA H 43 3.942 3.954 -0.012 1
1 517 . 19 1 1 A 43 43 GLN C C 43 177.913 178.541 -0.628 1
1 518 . 19 1 1 A 43 43 GLN CA C 43 58.678 59.004 -0.326 1
1 519 . 19 1 1 A 43 43 GLN CB C 43 28.815 28.288 0.527 1
1 522 . 19 1 1 A 43 43 GLN N N 43 118.650 117.778 0.872 1
1 524 . 19 1 1 A 44 44 GLU H H 44 8.611 7.865 0.746 1
1 525 . 19 1 1 A 44 44 GLU HA H 44 4.207 4.129 0.078 1
1 530 . 19 1 1 A 44 44 GLU C C 44 179.090 179.271 -0.181 1
1 531 . 19 1 1 A 44 44 GLU CA C 44 59.246 59.350 -0.104 1
1 532 . 19 1 1 A 44 44 GLU CB C 44 28.850 30.012 -1.162 1
1 534 . 19 1 1 A 44 44 GLU N N 44 122.042 118.992 3.050 1
1 535 . 19 1 1 A 45 45 THR H H 45 8.292 8.522 -0.230 1
1 536 . 19 1 1 A 45 45 THR HA H 45 4.123 3.983 0.140 1
1 541 . 19 1 1 A 45 45 THR C C 45 176.228 176.554 -0.326 1
1 542 . 19 1 1 A 45 45 THR CA C 45 66.902 66.308 0.594 1
1 543 . 19 1 1 A 45 45 THR CB C 45 68.949 68.346 0.603 1
1 545 . 19 1 1 A 45 45 THR N N 45 117.583 117.369 0.214 1
1 546 . 19 1 1 A 46 46 ALA H H 46 8.275 8.809 -0.534 1
1 547 . 19 1 1 A 46 46 ALA HA H 46 4.255 4.257 -0.002 1
1 551 . 19 1 1 A 46 46 ALA C C 46 178.630 179.314 -0.684 1
1 552 . 19 1 1 A 46 46 ALA CA C 46 55.406 55.750 -0.344 1
1 553 . 19 1 1 A 46 46 ALA CB C 46 18.482 18.059 0.423 1
1 554 . 19 1 1 A 46 46 ALA N N 46 123.184 123.149 0.035 1
1 555 . 19 1 1 A 47 47 ALA H H 47 8.066 8.011 0.055 1
1 556 . 19 1 1 A 47 47 ALA HA H 47 3.953 4.084 -0.131 1
1 560 . 19 1 1 A 47 47 ALA C C 47 178.552 180.411 -1.859 1
1 561 . 19 1 1 A 47 47 ALA CA C 47 55.030 55.273 -0.243 1
1 562 . 19 1 1 A 47 47 ALA CB C 47 18.899 18.442 0.457 1
1 563 . 19 1 1 A 47 47 ALA N N 47 117.129 120.023 -2.894 1
1 564 . 19 1 1 A 48 48 LYS H H 48 8.089 7.595 0.494 1
1 565 . 19 1 1 A 48 48 LYS HA H 48 3.936 4.231 -0.295 1
1 574 . 19 1 1 A 48 48 LYS C C 48 179.130 178.863 0.267 1
1 575 . 19 1 1 A 48 48 LYS CA C 48 58.560 58.855 -0.295 1
1 576 . 19 1 1 A 48 48 LYS CB C 48 33.122 33.055 0.067 1
1 580 . 19 1 1 A 48 48 LYS N N 48 115.322 117.587 -2.265 1
1 581 . 19 1 1 A 49 49 TRP H H 49 7.978 8.492 -0.514 1
1 582 . 19 1 1 A 49 49 TRP HA H 49 4.807 4.161 0.646 1
1 591 . 19 1 1 A 49 49 TRP C C 49 176.923 176.970 -0.047 1
1 592 . 19 1 1 A 49 49 TRP CA C 49 57.157 59.509 -2.352 1
1 593 . 19 1 1 A 49 49 TRP CB C 49 31.461 30.272 1.189 1
1 599 . 19 1 1 A 49 49 TRP N N 49 114.492 118.920 -4.428 1
1 601 . 19 1 1 A 50 50 PHE H H 50 7.740 8.131 -0.391 1
1 602 . 19 1 1 A 50 50 PHE HA H 50 4.925 5.114 -0.189 1
1 608 . 19 1 1 A 50 50 PHE C C 50 174.160 176.414 -2.254 1
1 609 . 19 1 1 A 50 50 PHE CA C 50 57.772 56.958 0.814 1
1 610 . 19 1 1 A 50 50 PHE CB C 50 39.610 38.802 0.808 1
1 614 . 19 1 1 A 50 50 PHE N N 50 116.540 116.000 0.540 1
1 615 . 19 1 1 A 51 51 ARG H H 51 7.389 8.145 -0.756 1
1 616 . 19 1 1 A 51 51 ARG HA H 51 4.198 4.242 -0.044 1
1 624 . 19 1 1 A 51 51 ARG C C 51 179.130 177.265 1.865 1
1 625 . 19 1 1 A 51 51 ARG CA C 51 58.224 58.556 -0.332 1
1 626 . 19 1 1 A 51 51 ARG CB C 51 30.032 29.841 0.191 1
1 629 . 19 1 1 A 51 51 ARG N N 51 119.136 119.628 -0.492 1
1 631 . 19 1 1 A 52 52 GLY H H 52 10.264 7.705 2.559 1
1 632 . 19 1 1 A 52 52 GLY HA2 H 52 4.180 4.096 0.084 1
1 633 . 19 1 1 A 52 52 GLY HA3 H 52 3.745 4.110 -0.365 1
1 634 . 19 1 1 A 52 52 GLY C C 52 173.980 173.577 0.403 1
1 635 . 19 1 1 A 52 52 GLY CA C 52 45.517 45.793 -0.276 1
1 636 . 19 1 1 A 52 52 GLY N N 52 114.192 106.111 8.081 1
1 637 . 19 1 1 A 53 53 GLN H H 53 7.597 7.727 -0.130 1
1 638 . 19 1 1 A 53 53 GLN HA H 53 4.437 4.621 -0.184 1
1 645 . 19 1 1 A 53 53 GLN C C 53 172.934 175.630 -2.696 1
1 646 . 19 1 1 A 53 53 GLN CA C 53 56.280 55.297 0.983 1
1 647 . 19 1 1 A 53 53 GLN CB C 53 29.123 30.148 -1.025 1
1 650 . 19 1 1 A 53 53 GLN N N 53 120.438 118.800 1.638 1
1 652 . 19 1 1 A 54 54 ALA H H 54 8.190 8.590 -0.400 1
1 653 . 19 1 1 A 54 54 ALA HA H 54 4.344 4.451 -0.107 1
1 657 . 19 1 1 A 54 54 ALA C C 54 177.278 177.540 -0.262 1
1 658 . 19 1 1 A 54 54 ALA CA C 54 51.377 52.235 -0.858 1
1 659 . 19 1 1 A 54 54 ALA CB C 54 20.525 19.362 1.163 1
1 660 . 19 1 1 A 54 54 ALA N N 54 124.528 124.661 -0.133 1
1 661 . 19 1 1 A 55 55 ASN H H 55 8.903 8.700 0.203 1
1 662 . 19 1 1 A 55 55 ASN HA H 55 4.598 4.341 0.257 1
1 667 . 19 1 1 A 55 55 ASN C C 55 174.075 174.265 -0.190 1
1 668 . 19 1 1 A 55 55 ASN CA C 55 53.986 53.842 0.144 1
1 669 . 19 1 1 A 55 55 ASN CB C 55 37.654 37.111 0.543 1
1 671 . 19 1 1 A 55 55 ASN N N 55 113.776 117.663 -3.887 1
1 673 . 19 1 1 A 56 56 LEU H H 56 8.543 7.510 1.033 1
1 674 . 19 1 1 A 56 56 LEU HA H 56 4.677 4.611 0.066 1
1 684 . 19 1 1 A 56 56 LEU C C 56 176.806 175.175 1.631 1
1 685 . 19 1 1 A 56 56 LEU CA C 56 54.383 53.613 0.770 1
1 686 . 19 1 1 A 56 56 LEU CB C 56 45.328 44.418 0.910 1
1 690 . 19 1 1 A 56 56 LEU N N 56 117.411 121.082 -3.671 1
1 691 . 19 1 1 A 57 57 VAL H H 57 9.207 9.227 -0.020 1
1 692 . 19 1 1 A 57 57 VAL HA H 57 4.633 4.535 0.098 1
1 700 . 19 1 1 A 57 57 VAL C C 57 172.465 174.014 -1.549 1
1 701 . 19 1 1 A 57 57 VAL CA C 57 59.970 60.971 -1.001 1
1 702 . 19 1 1 A 57 57 VAL CB C 57 35.376 32.838 2.538 1
1 705 . 19 1 1 A 57 57 VAL N N 57 121.448 125.297 -3.849 1
1 706 . 19 1 1 A 58 58 LEU H H 58 8.855 9.092 -0.237 1
1 707 . 19 1 1 A 58 58 LEU HA H 58 4.763 4.748 0.015 1
1 717 . 19 1 1 A 58 58 LEU C C 58 175.349 174.793 0.556 1
1 718 . 19 1 1 A 58 58 LEU CA C 58 52.286 53.554 -1.268 1
1 719 . 19 1 1 A 58 58 LEU CB C 58 46.390 43.931 2.459 1
1 723 . 19 1 1 A 58 58 LEU N N 58 124.476 129.670 -5.194 1
1 724 . 19 1 1 A 59 59 LEU H H 59 9.265 8.880 0.385 1
1 725 . 19 1 1 A 59 59 LEU HA H 59 4.714 4.290 0.424 1
1 735 . 19 1 1 A 59 59 LEU C C 59 175.262 175.661 -0.399 1
1 736 . 19 1 1 A 59 59 LEU CA C 59 52.753 54.532 -1.779 1
1 737 . 19 1 1 A 59 59 LEU CB C 59 42.431 40.697 1.734 1
1 741 . 19 1 1 A 59 59 LEU N N 59 125.973 128.268 -2.295 1
1 742 . 19 1 1 A 60 60 ALA H H 60 8.331 8.966 -0.635 1
1 743 . 19 1 1 A 60 60 ALA HA H 60 4.739 4.760 -0.021 1
1 747 . 19 1 1 A 60 60 ALA C C 60 175.631 176.118 -0.487 1
1 748 . 19 1 1 A 60 60 ALA CA C 60 50.320 50.199 0.121 1
1 749 . 19 1 1 A 60 60 ALA CB C 60 21.744 20.496 1.248 1
1 750 . 19 1 1 A 60 60 ALA N N 60 124.617 128.349 -3.732 1
1 751 . 19 1 1 A 61 61 VAL H H 61 8.944 8.604 0.340 1
1 752 . 19 1 1 A 61 61 VAL HA H 61 4.244 4.631 -0.387 1
1 760 . 19 1 1 A 61 61 VAL C C 61 174.674 174.521 0.153 1
1 761 . 19 1 1 A 61 61 VAL CA C 61 60.770 60.656 0.114 1
1 762 . 19 1 1 A 61 61 VAL CB C 61 36.636 34.828 1.808 1
1 765 . 19 1 1 A 61 61 VAL N N 61 124.079 123.473 0.606 1
1 766 . 19 1 1 A 62 62 GLU H H 62 8.490 8.689 -0.199 1
1 767 . 19 1 1 A 62 62 GLU HA H 62 4.551 4.913 -0.362 1
1 772 . 19 1 1 A 62 62 GLU C C 62 177.700 175.477 2.223 1
1 773 . 19 1 1 A 62 62 GLU CA C 62 56.879 55.447 1.432 1
1 774 . 19 1 1 A 62 62 GLU CB C 62 29.372 30.539 -1.167 1
1 776 . 19 1 1 A 62 62 GLU N N 62 127.752 127.723 0.029 1
1 777 . 19 1 1 A 63 63 ALA H H 63 9.173 8.680 0.493 1
1 778 . 19 1 1 A 63 63 ALA HA H 63 3.991 4.359 -0.368 1
1 782 . 19 1 1 A 63 63 ALA C C 63 180.311 177.906 2.405 1
1 783 . 19 1 1 A 63 63 ALA CA C 63 54.850 51.480 3.370 1
1 784 . 19 1 1 A 63 63 ALA CB C 63 19.495 17.808 1.687 1
1 785 . 19 1 1 A 63 63 ALA N N 63 127.466 130.474 -3.008 1
1 786 . 19 1 1 A 64 64 GLU H H 64 9.571 8.210 1.361 1
1 787 . 19 1 1 A 64 64 GLU HA H 64 4.146 4.242 -0.096 1
1 792 . 19 1 1 A 64 64 GLU C C 64 177.102 176.523 0.579 1
1 793 . 19 1 1 A 64 64 GLU CA C 64 63.532 60.665 2.867 1
1 794 . 19 1 1 A 64 64 GLU CB C 64 25.742 29.475 -3.733 1
1 796 . 19 1 1 A 64 64 GLU N N 64 120.368 123.732 -3.364 1
1 797 . 19 1 1 A 65 65 PRO HA H 65 4.440 4.260 0.180 1
1 804 . 19 1 1 A 65 65 PRO C C 65 177.332 177.537 -0.205 1
1 805 . 19 1 1 A 65 65 PRO CA C 65 64.973 66.260 -1.287 1
1 806 . 19 1 1 A 65 65 PRO CB C 65 31.341 30.998 0.343 1
1 809 . 19 1 1 A 66 66 LEU H H 66 7.412 7.659 -0.247 1
1 810 . 19 1 1 A 66 66 LEU HA H 66 4.023 4.013 0.010 1
1 820 . 19 1 1 A 66 66 LEU C C 66 178.533 177.156 1.377 1
1 821 . 19 1 1 A 66 66 LEU CA C 66 55.861 56.231 -0.370 1
1 822 . 19 1 1 A 66 66 LEU CB C 66 41.349 41.969 -0.620 1
1 826 . 19 1 1 A 66 66 LEU N N 66 114.991 118.484 -3.493 1
1 827 . 19 1 1 A 67 67 GLY H H 67 7.733 8.038 -0.305 1
1 828 . 19 1 1 A 67 67 GLY HA2 H 67 4.018 3.795 0.223 1
1 829 . 19 1 1 A 67 67 GLY HA3 H 67 3.909 3.801 0.108 1
1 830 . 19 1 1 A 67 67 GLY C C 67 175.925 175.261 0.664 1
1 831 . 19 1 1 A 67 67 GLY CA C 67 46.054 46.655 -0.601 1
1 832 . 19 1 1 A 67 67 GLY N N 67 104.242 108.732 -4.490 1
1 833 . 19 1 1 A 68 68 GLU H H 68 8.887 8.129 0.758 1
1 834 . 19 1 1 A 68 68 GLU HA H 68 4.219 4.481 -0.262 1
1 839 . 19 1 1 A 68 68 GLU C C 68 176.314 177.137 -0.823 1
1 840 . 19 1 1 A 68 68 GLU CA C 68 57.652 56.533 1.119 1
1 841 . 19 1 1 A 68 68 GLU CB C 68 29.306 30.136 -0.830 1
1 843 . 19 1 1 A 68 68 GLU N N 68 121.253 121.773 -0.520 1
1 844 . 19 1 1 A 69 69 ASP H H 69 7.630 8.026 -0.396 1
1 845 . 19 1 1 A 69 69 ASP HA H 69 4.587 4.777 -0.190 1
1 848 . 19 1 1 A 69 69 ASP C C 69 174.665 175.619 -0.954 1
1 849 . 19 1 1 A 69 69 ASP CA C 69 56.078 56.430 -0.352 1
1 850 . 19 1 1 A 69 69 ASP CB C 69 41.572 41.093 0.479 1
1 851 . 19 1 1 A 69 69 ASP N N 69 116.486 117.701 -1.215 1
1 852 . 19 1 1 A 70 70 LEU H H 70 7.433 8.067 -0.634 1
1 853 . 19 1 1 A 70 70 LEU HA H 70 4.854 4.906 -0.052 1
1 863 . 19 1 1 A 70 70 LEU C C 70 174.259 175.354 -1.095 1
1 864 . 19 1 1 A 70 70 LEU CA C 70 53.281 53.664 -0.383 1
1 865 . 19 1 1 A 70 70 LEU CB C 70 43.024 45.483 -2.459 1
1 869 . 19 1 1 A 70 70 LEU N N 70 121.585 119.892 1.693 1
1 870 . 19 1 1 A 71 71 LYS H H 71 9.114 8.791 0.323 1
1 871 . 19 1 1 A 71 71 LYS HA H 71 4.724 4.884 -0.160 1
1 880 . 19 1 1 A 71 71 LYS C C 71 175.146 175.125 0.021 1
1 881 . 19 1 1 A 71 71 LYS CA C 71 54.024 55.080 -1.056 1
1 882 . 19 1 1 A 71 71 LYS CB C 71 35.469 35.697 -0.228 1
1 886 . 19 1 1 A 71 71 LYS N N 71 126.179 125.856 0.323 1
1 887 . 19 1 1 A 72 72 TRP H H 72 8.981 8.828 0.153 1
1 888 . 19 1 1 A 72 72 TRP HA H 72 4.720 4.744 -0.024 1
1 897 . 19 1 1 A 72 72 TRP C C 72 176.394 176.307 0.087 1
1 898 . 19 1 1 A 72 72 TRP CA C 72 55.876 58.151 -2.275 1
1 899 . 19 1 1 A 72 72 TRP CB C 72 27.789 29.788 -1.999 1
1 905 . 19 1 1 A 72 72 TRP N N 72 125.904 128.146 -2.242 1
1 907 . 19 1 1 A 73 73 GLU H H 73 8.558 8.386 0.172 1
1 908 . 19 1 1 A 73 73 GLU HA H 73 4.762 4.902 -0.140 1
1 913 . 19 1 1 A 73 73 GLU C C 73 175.459 174.798 0.661 1
1 914 . 19 1 1 A 73 73 GLU CA C 73 55.208 55.914 -0.706 1
1 915 . 19 1 1 A 73 73 GLU CB C 73 32.615 33.966 -1.351 1
1 917 . 19 1 1 A 73 73 GLU N N 73 123.290 123.326 -0.036 1
1 918 . 19 1 1 A 74 74 ALA H H 74 8.962 8.750 0.212 1
1 919 . 19 1 1 A 74 74 ALA HA H 74 4.738 5.229 -0.491 1
1 923 . 19 1 1 A 74 74 ALA C C 74 177.803 175.385 2.418 1
1 924 . 19 1 1 A 74 74 ALA CA C 74 52.246 51.342 0.904 1
1 925 . 19 1 1 A 74 74 ALA CB C 74 20.070 23.927 -3.857 1
1 926 . 19 1 1 A 74 74 ALA N N 74 127.315 126.268 1.047 1
1 927 . 19 1 1 A 75 75 SER H H 75 8.762 8.815 -0.053 1
1 928 . 19 1 1 A 75 75 SER HA H 75 4.850 4.927 -0.077 1
1 931 . 19 1 1 A 75 75 SER C C 75 176.080 174.220 1.860 1
1 932 . 19 1 1 A 75 75 SER CA C 75 56.954 57.731 -0.777 1
1 933 . 19 1 1 A 75 75 SER CB C 75 65.244 66.184 -0.940 1
1 934 . 19 1 1 A 75 75 SER N N 75 117.745 114.125 3.620 1
1 935 . 19 1 1 A 76 76 ARG HA H 76 4.193 3.920 0.273 1
1 943 . 19 1 1 A 76 76 ARG CA C 76 58.895 58.848 0.047 1
1 944 . 19 1 1 A 76 76 ARG CB C 76 29.877 28.257 1.620 1
1 947 . 19 1 1 A 77 77 GLY C C 77 175.277 175.539 -0.262 1
1 948 . 19 1 1 A 78 78 GLY H H 78 8.045 8.080 -0.035 1
1 949 . 19 1 1 A 78 78 GLY HA2 H 78 4.390 3.949 0.441 1
1 950 . 19 1 1 A 78 78 GLY HA3 H 78 3.786 3.955 -0.169 1
1 951 . 19 1 1 A 78 78 GLY C C 78 173.503 174.034 -0.531 1
1 952 . 19 1 1 A 78 78 GLY CA C 78 45.296 45.615 -0.319 1
1 953 . 19 1 1 A 78 78 GLY N N 78 110.323 108.083 2.240 1
1 954 . 19 1 1 A 79 79 ALA H H 79 7.879 7.960 -0.081 1
1 955 . 19 1 1 A 79 79 ALA HA H 79 4.357 4.158 0.199 1
1 959 . 19 1 1 A 79 79 ALA C C 79 176.674 176.905 -0.231 1
1 960 . 19 1 1 A 79 79 ALA CA C 79 52.151 52.244 -0.093 1
1 961 . 19 1 1 A 79 79 ALA CB C 79 20.171 19.003 1.168 1
1 962 . 19 1 1 A 79 79 ALA N N 79 123.865 124.240 -0.375 1
1 963 . 19 1 1 A 80 80 ARG H H 80 8.375 8.281 0.094 1
1 964 . 19 1 1 A 80 80 ARG HA H 80 4.629 4.523 0.106 1
1 972 . 19 1 1 A 80 80 ARG C C 80 175.713 174.983 0.730 1
1 973 . 19 1 1 A 80 80 ARG CA C 80 55.622 55.571 0.051 1
1 974 . 19 1 1 A 80 80 ARG CB C 80 32.074 31.018 1.056 1
1 977 . 19 1 1 A 80 80 ARG N N 80 119.145 122.662 -3.517 1
1 979 . 19 1 1 A 81 81 PHE H H 81 8.722 8.604 0.118 1
1 980 . 19 1 1 A 81 81 PHE HA H 81 5.156 4.820 0.336 1
1 988 . 19 1 1 A 81 81 PHE C C 81 172.806 174.385 -1.579 1
1 989 . 19 1 1 A 81 81 PHE CA C 81 54.950 55.726 -0.776 1
1 990 . 19 1 1 A 81 81 PHE CB C 81 42.240 40.135 2.105 1
1 996 . 19 1 1 A 81 81 PHE N N 81 123.774 123.800 -0.026 1
1 997 . 19 1 1 A 82 82 PRO HA H 82 3.635 3.987 -0.352 1
1 1004 . 19 1 1 A 82 82 PRO C C 82 174.511 175.706 -1.195 1
1 1005 . 19 1 1 A 82 82 PRO CA C 82 61.347 62.369 -1.022 1
1 1006 . 19 1 1 A 82 82 PRO CB C 82 29.495 31.051 -1.556 1
1 1009 . 19 1 1 A 83 83 HIS H H 83 8.831 8.424 0.407 1
1 1010 . 19 1 1 A 83 83 HIS HA H 83 5.330 4.626 0.704 1
1 1014 . 19 1 1 A 83 83 HIS C C 83 172.952 173.978 -1.026 1
1 1015 . 19 1 1 A 83 83 HIS CA C 83 50.700 55.043 -4.343 1
1 1016 . 19 1 1 A 83 83 HIS CB C 83 33.238 30.475 2.763 1
1 1018 . 19 1 1 A 83 83 HIS N N 83 124.483 122.874 1.609 1
1 1019 . 19 1 1 A 84 84 LEU H H 84 9.063 8.694 0.369 1
1 1020 . 19 1 1 A 84 84 LEU HA H 84 5.163 4.917 0.246 1
1 1030 . 19 1 1 A 84 84 LEU C C 84 176.699 175.772 0.927 1
1 1031 . 19 1 1 A 84 84 LEU CA C 84 53.829 53.313 0.516 1
1 1032 . 19 1 1 A 84 84 LEU CB C 84 45.366 45.223 0.143 1
1 1036 . 19 1 1 A 84 84 LEU N N 84 125.218 126.054 -0.836 1
1 1037 . 19 1 1 A 85 85 TYR H H 85 9.058 8.706 0.352 1
1 1038 . 19 1 1 A 85 85 TYR HA H 85 4.508 4.872 -0.364 1
1 1045 . 19 1 1 A 85 85 TYR C C 85 173.624 174.900 -1.276 1
1 1046 . 19 1 1 A 85 85 TYR CA C 85 60.034 57.036 2.998 1
1 1047 . 19 1 1 A 85 85 TYR CB C 85 36.073 37.872 -1.799 1
1 1052 . 19 1 1 A 85 85 TYR N N 85 131.339 125.987 5.352 1
1 1053 . 19 1 1 A 86 86 ARG H H 86 7.432 7.631 -0.199 1
1 1054 . 19 1 1 A 86 86 ARG HA H 86 4.682 4.749 -0.067 1
1 1062 . 19 1 1 A 86 86 ARG C C 86 171.917 173.684 -1.767 1
1 1063 . 19 1 1 A 86 86 ARG CA C 86 54.953 54.877 0.076 1
1 1064 . 19 1 1 A 86 86 ARG CB C 86 28.209 33.532 -5.323 1
1 1067 . 19 1 1 A 86 86 ARG N N 86 114.399 117.753 -3.354 1
1 1069 . 19 1 1 A 87 87 PRO HA H 87 4.303 4.489 -0.186 1
1 1076 . 19 1 1 A 87 87 PRO C C 87 175.771 175.134 0.637 1
1 1077 . 19 1 1 A 87 87 PRO CA C 87 63.497 62.783 0.714 1
1 1078 . 19 1 1 A 87 87 PRO CB C 87 32.253 32.367 -0.114 1
1 1081 . 19 1 1 A 88 88 LEU H H 88 8.095 8.009 0.086 1
1 1082 . 19 1 1 A 88 88 LEU HA H 88 4.286 4.955 -0.669 1
1 1092 . 19 1 1 A 88 88 LEU C C 88 175.946 175.606 0.340 1
1 1093 . 19 1 1 A 88 88 LEU CA C 88 53.675 53.251 0.424 1
1 1094 . 19 1 1 A 88 88 LEU CB C 88 45.548 45.294 0.254 1
1 1098 . 19 1 1 A 88 88 LEU N N 88 125.942 122.087 3.855 1
1 1099 . 19 1 1 A 89 89 LEU H H 89 9.224 8.592 0.632 1
1 1100 . 19 1 1 A 89 89 LEU HA H 89 4.561 4.400 0.161 1
1 1110 . 19 1 1 A 89 89 LEU C C 89 179.295 179.235 0.060 1
1 1111 . 19 1 1 A 89 89 LEU CA C 89 55.212 55.200 0.012 1
1 1112 . 19 1 1 A 89 89 LEU CB C 89 41.460 41.846 -0.386 1
1 1116 . 19 1 1 A 89 89 LEU N N 89 128.295 127.903 0.392 1
1 1117 . 19 1 1 A 90 90 VAL H H 90 7.665 8.603 -0.938 1
1 1118 . 19 1 1 A 90 90 VAL HA H 90 3.785 3.810 -0.025 1
1 1126 . 19 1 1 A 90 90 VAL C C 90 178.510 177.648 0.862 1
1 1127 . 19 1 1 A 90 90 VAL CA C 90 66.833 65.387 1.446 1
1 1128 . 19 1 1 A 90 90 VAL CB C 90 31.330 31.430 -0.100 1
1 1131 . 19 1 1 A 90 90 VAL N N 90 122.696 126.599 -3.903 1
1 1132 . 19 1 1 A 91 91 SER H H 91 8.134 8.166 -0.032 1
1 1133 . 19 1 1 A 91 91 SER HA H 91 4.280 4.381 -0.101 1
1 1136 . 19 1 1 A 91 91 SER C C 91 175.328 175.717 -0.389 1
1 1137 . 19 1 1 A 91 91 SER CA C 91 59.822 60.292 -0.470 1
1 1138 . 19 1 1 A 91 91 SER CB C 91 62.512 62.568 -0.056 1
1 1139 . 19 1 1 A 91 91 SER N N 91 112.443 117.154 -4.711 1
1 1140 . 19 1 1 A 92 92 GLU H H 92 7.598 8.165 -0.567 1
1 1141 . 19 1 1 A 92 92 GLU HA H 92 4.221 4.424 -0.203 1
1 1146 . 19 1 1 A 92 92 GLU C C 92 175.722 177.015 -1.293 1
1 1147 . 19 1 1 A 92 92 GLU CA C 92 56.594 57.653 -1.059 1
1 1148 . 19 1 1 A 92 92 GLU CB C 92 29.511 30.092 -0.581 1
1 1150 . 19 1 1 A 92 92 GLU N N 92 120.359 120.731 -0.372 1
1 1151 . 19 1 1 A 93 93 VAL H H 93 7.486 7.307 0.179 1
1 1152 . 19 1 1 A 93 93 VAL HA H 93 4.046 4.024 0.022 1
1 1160 . 19 1 1 A 93 93 VAL C C 93 176.093 176.161 -0.068 1
1 1161 . 19 1 1 A 93 93 VAL CA C 93 63.242 63.477 -0.235 1
1 1162 . 19 1 1 A 93 93 VAL CB C 93 32.306 31.879 0.427 1
1 1165 . 19 1 1 A 93 93 VAL N N 93 121.222 120.209 1.013 1
1 1166 . 19 1 1 A 94 94 THR H H 94 9.003 8.774 0.229 1
1 1167 . 19 1 1 A 94 94 THR HA H 94 4.264 4.072 0.192 1
1 1172 . 19 1 1 A 94 94 THR C C 94 174.664 174.695 -0.031 1
1 1173 . 19 1 1 A 94 94 THR CA C 94 64.438 64.584 -0.146 1
1 1174 . 19 1 1 A 94 94 THR CB C 94 69.317 68.860 0.457 1
1 1176 . 19 1 1 A 94 94 THR N N 94 124.794 122.756 2.038 1
1 1177 . 19 1 1 A 95 95 ARG H H 95 7.514 7.506 0.008 1
1 1178 . 19 1 1 A 95 95 ARG HA H 95 4.646 4.691 -0.045 1
1 1186 . 19 1 1 A 95 95 ARG C C 95 172.989 173.666 -0.677 1
1 1187 . 19 1 1 A 95 95 ARG CA C 95 55.872 55.790 0.082 1
1 1188 . 19 1 1 A 95 95 ARG CB C 95 33.789 33.803 -0.014 1
1 1191 . 19 1 1 A 95 95 ARG N N 95 118.660 119.096 -0.436 1
1 1193 . 19 1 1 A 96 96 GLU H H 96 8.545 8.787 -0.242 1
1 1194 . 19 1 1 A 96 96 GLU HA H 96 5.329 4.623 0.706 1
1 1199 . 19 1 1 A 96 96 GLU C C 96 174.480 174.459 0.021 1
1 1200 . 19 1 1 A 96 96 GLU CA C 96 53.415 55.544 -2.129 1
1 1201 . 19 1 1 A 96 96 GLU CB C 96 33.592 29.568 4.024 1
1 1203 . 19 1 1 A 96 96 GLU N N 96 121.828 124.210 -2.382 1
1 1204 . 19 1 1 A 97 97 ALA H H 97 8.276 8.477 -0.201 1
1 1205 . 19 1 1 A 97 97 ALA HA H 97 4.537 4.149 0.388 1
1 1209 . 19 1 1 A 97 97 ALA C C 97 175.233 175.981 -0.748 1
1 1210 . 19 1 1 A 97 97 ALA CA C 97 51.368 51.615 -0.247 1
1 1211 . 19 1 1 A 97 97 ALA CB C 97 22.101 18.172 3.929 1
1 1212 . 19 1 1 A 97 97 ALA N N 97 123.211 128.514 -5.303 1
1 1213 . 19 1 1 A 98 98 ASP H H 98 8.399 8.735 -0.336 1
1 1214 . 19 1 1 A 98 98 ASP HA H 98 4.850 4.743 0.107 1
1 1217 . 19 1 1 A 98 98 ASP C C 98 176.085 176.010 0.075 1
1 1218 . 19 1 1 A 98 98 ASP CA C 98 54.824 54.030 0.794 1
1 1219 . 19 1 1 A 98 98 ASP CB C 98 41.694 40.984 0.710 1
1 1220 . 19 1 1 A 98 98 ASP N N 98 122.093 125.666 -3.573 1
1 1221 . 19 1 1 A 99 99 LEU H H 99 7.854 8.837 -0.983 1
1 1222 . 19 1 1 A 99 99 LEU HA H 99 4.766 5.332 -0.566 1
1 1232 . 19 1 1 A 99 99 LEU C C 99 176.250 175.460 0.790 1
1 1233 . 19 1 1 A 99 99 LEU CA C 99 53.544 52.651 0.893 1
1 1234 . 19 1 1 A 99 99 LEU CB C 99 44.229 45.549 -1.320 1
1 1238 . 19 1 1 A 99 99 LEU N N 99 120.272 121.387 -1.115 1
1 1239 . 19 1 1 A 100 100 ASP H H 100 9.215 8.475 0.740 1
1 1240 . 19 1 1 A 100 100 ASP HA H 100 4.935 5.458 -0.523 1
1 1243 . 19 1 1 A 100 100 ASP C C 100 174.956 174.837 0.119 1
1 1244 . 19 1 1 A 100 100 ASP CA C 100 52.684 52.774 -0.090 1
1 1245 . 19 1 1 A 100 100 ASP CB C 100 43.362 44.582 -1.220 1
1 1246 . 19 1 1 A 100 100 ASP N N 100 123.325 118.711 4.614 1
1 1247 . 19 1 1 A 101 101 LEU H H 101 8.526 8.815 -0.289 1
1 1248 . 19 1 1 A 101 101 LEU HA H 101 4.639 4.886 -0.247 1
1 1258 . 19 1 1 A 101 101 LEU C C 101 178.204 175.078 3.126 1
1 1259 . 19 1 1 A 101 101 LEU CA C 101 53.490 53.821 -0.331 1
1 1260 . 19 1 1 A 101 101 LEU CB C 101 44.374 45.051 -0.677 1
1 1264 . 19 1 1 A 101 101 LEU N N 101 118.539 116.645 1.894 1
1 1265 . 19 1 1 A 102 102 ASP H H 102 8.029 8.680 -0.651 1
1 1266 . 19 1 1 A 102 102 ASP HA H 102 4.615 5.111 -0.496 1
1 1269 . 19 1 1 A 102 102 ASP C C 102 178.176 175.670 2.506 1
1 1270 . 19 1 1 A 102 102 ASP CA C 102 52.297 51.762 0.535 1
1 1271 . 19 1 1 A 102 102 ASP CB C 102 41.108 43.128 -2.020 1
1 1272 . 19 1 1 A 102 102 ASP N N 102 121.008 118.502 2.506 1
1 1273 . 19 1 1 A 103 103 ALA H H 103 8.384 8.454 -0.070 1
1 1274 . 19 1 1 A 103 103 ALA HA H 103 4.099 3.946 0.153 1
1 1278 . 19 1 1 A 103 103 ALA C C 103 178.527 177.404 1.123 1
1 1279 . 19 1 1 A 103 103 ALA CA C 103 54.648 53.508 1.140 1
1 1280 . 19 1 1 A 103 103 ALA CB C 103 18.604 18.343 0.261 1
1 1281 . 19 1 1 A 103 103 ALA N N 103 120.139 123.719 -3.580 1
1 1282 . 19 1 1 A 104 104 ASP H H 104 8.033 8.770 -0.737 1
1 1283 . 19 1 1 A 104 104 ASP HA H 104 4.811 4.624 0.187 1
1 1286 . 19 1 1 A 104 104 ASP C C 104 176.113 177.258 -1.145 1
1 1287 . 19 1 1 A 104 104 ASP CA C 104 54.077 55.532 -1.455 1
1 1288 . 19 1 1 A 104 104 ASP CB C 104 41.899 40.522 1.377 1
1 1289 . 19 1 1 A 104 104 ASP N N 104 116.590 123.517 -6.927 1
1 1290 . 19 1 1 A 105 105 GLY H H 105 8.196 7.938 0.258 1
1 1291 . 19 1 1 A 105 105 GLY HA2 H 105 4.293 3.924 0.369 1
1 1292 . 19 1 1 A 105 105 GLY HA3 H 105 3.657 3.926 -0.269 1
1 1293 . 19 1 1 A 105 105 GLY C C 105 173.635 174.308 -0.673 1
1 1294 . 19 1 1 A 105 105 GLY CA C 105 45.741 47.528 -1.787 1
1 1295 . 19 1 1 A 105 105 GLY N N 105 107.882 107.653 0.229 1
1 1296 . 19 1 1 A 106 106 VAL H H 106 8.886 7.333 1.553 1
1 1297 . 19 1 1 A 106 106 VAL HA H 106 4.082 4.294 -0.212 1
1 1305 . 19 1 1 A 106 106 VAL C C 106 175.529 174.879 0.650 1
1 1306 . 19 1 1 A 106 106 VAL CA C 106 61.360 63.431 -2.071 1
1 1307 . 19 1 1 A 106 106 VAL CB C 106 32.373 30.849 1.524 1
1 1310 . 19 1 1 A 106 106 VAL N N 106 125.585 115.074 10.511 1
1 1311 . 19 1 1 A 107 107 PRO HA H 107 4.737 4.426 0.311 1
1 1318 . 19 1 1 A 107 107 PRO C C 107 176.029 176.672 -0.643 1
1 1319 . 19 1 1 A 107 107 PRO CA C 107 62.674 63.373 -0.699 1
1 1320 . 19 1 1 A 107 107 PRO CB C 107 31.789 31.852 -0.063 1
1 1323 . 19 1 1 A 108 108 GLN H H 108 8.563 8.690 -0.127 1
1 1324 . 19 1 1 A 108 108 GLN HA H 108 4.498 4.428 0.070 1
1 1331 . 19 1 1 A 108 108 GLN C C 108 176.218 175.812 0.406 1
1 1332 . 19 1 1 A 108 108 GLN CA C 108 54.901 54.829 0.072 1
1 1333 . 19 1 1 A 108 108 GLN CB C 108 29.514 26.702 2.812 1
1 1336 . 19 1 1 A 108 108 GLN N N 108 122.641 123.024 -0.383 1
1 1338 . 19 1 1 A 109 109 LEU H H 109 8.853 8.271 0.582 1
1 1339 . 19 1 1 A 109 109 LEU HA H 109 4.330 4.264 0.066 1
1 1349 . 19 1 1 A 109 109 LEU C C 109 178.151 179.091 -0.940 1
1 1350 . 19 1 1 A 109 109 LEU CA C 109 56.522 57.722 -1.200 1
1 1351 . 19 1 1 A 109 109 LEU CB C 109 41.883 41.693 0.190 1
1 1355 . 19 1 1 A 109 109 LEU N N 109 125.974 124.933 1.041 1
1 1356 . 19 1 1 A 110 110 GLY H H 110 8.809 7.781 1.028 1
1 1357 . 19 1 1 A 110 110 GLY HA2 H 110 3.952 3.716 0.236 1
1 1358 . 19 1 1 A 110 110 GLY HA3 H 110 3.551 3.717 -0.166 1
1 1359 . 19 1 1 A 110 110 GLY C C 110 176.002 175.451 0.551 1
1 1360 . 19 1 1 A 110 110 GLY CA C 110 48.748 47.278 1.470 1
1 1361 . 19 1 1 A 110 110 GLY N N 110 109.442 105.954 3.488 1
1 1362 . 19 1 1 A 111 111 ASP H H 111 8.674 7.761 0.913 1
1 1363 . 19 1 1 A 111 111 ASP HA H 111 4.317 4.356 -0.039 1
1 1366 . 19 1 1 A 111 111 ASP C C 111 177.159 177.178 -0.019 1
1 1367 . 19 1 1 A 111 111 ASP CA C 111 56.239 55.246 0.993 1
1 1368 . 19 1 1 A 111 111 ASP CB C 111 39.791 40.351 -0.560 1
1 1369 . 19 1 1 A 111 111 ASP N N 111 119.503 121.278 -1.775 1
1 1370 . 19 1 1 A 112 112 HIS H H 112 7.471 7.853 -0.382 1
1 1371 . 19 1 1 A 112 112 HIS HA H 112 4.481 4.561 -0.080 1
1 1376 . 19 1 1 A 112 112 HIS C C 112 177.121 174.835 2.286 1
1 1377 . 19 1 1 A 112 112 HIS CA C 112 56.692 57.252 -0.560 1
1 1378 . 19 1 1 A 112 112 HIS CB C 112 31.648 30.134 1.514 1
1 1381 . 19 1 1 A 112 112 HIS N N 112 116.681 114.333 2.348 1
1 1382 . 19 1 1 A 113 113 LEU H H 113 7.526 7.470 0.056 1
1 1383 . 19 1 1 A 113 113 LEU HA H 113 4.148 4.457 -0.309 1
1 1393 . 19 1 1 A 113 113 LEU C C 113 177.363 176.999 0.364 1
1 1394 . 19 1 1 A 113 113 LEU CA C 113 55.509 53.276 2.233 1
1 1395 . 19 1 1 A 113 113 LEU CB C 113 42.009 43.970 -1.961 1
1 1399 . 19 1 1 A 113 113 LEU N N 113 118.976 118.676 0.300 1
1 1400 . 19 1 1 A 114 114 ALA H H 114 7.648 8.561 -0.913 1
1 1401 . 19 1 1 A 114 114 ALA HA H 114 4.227 3.858 0.369 1
1 1405 . 19 1 1 A 114 114 ALA C C 114 177.692 176.564 1.128 1
1 1406 . 19 1 1 A 114 114 ALA CA C 114 52.828 54.996 -2.168 1
1 1407 . 19 1 1 A 114 114 ALA CB C 114 18.497 17.858 0.639 1
1 1408 . 19 1 1 A 114 114 ALA N N 114 121.893 120.507 1.386 1
1 1409 . 19 1 1 A 115 115 LEU H H 115 7.764 8.096 -0.332 1
1 1410 . 19 1 1 A 115 115 LEU HA H 115 4.146 4.490 -0.344 1
1 1420 . 19 1 1 A 115 115 LEU C C 115 177.819 176.753 1.066 1
1 1421 . 19 1 1 A 115 115 LEU CA C 115 55.771 54.634 1.137 1
1 1422 . 19 1 1 A 115 115 LEU CB C 115 42.000 42.784 -0.784 1
1 1426 . 19 1 1 A 115 115 LEU N N 115 119.576 118.593 0.983 1
1 12 . 20 1 1 A 2 2 THR HA H 2 3.833 4.491 -0.658 1
1 17 . 20 1 1 A 2 2 THR C C 2 170.665 174.268 -3.603 1
1 18 . 20 1 1 A 2 2 THR CA C 2 62.154 62.392 -0.238 1
1 19 . 20 1 1 A 2 2 THR CB C 2 69.580 69.321 0.259 1
1 21 . 20 1 1 A 3 3 LEU H H 3 9.068 7.320 1.748 1
1 22 . 20 1 1 A 3 3 LEU HA H 3 4.887 4.397 0.490 1
1 32 . 20 1 1 A 3 3 LEU C C 3 175.859 175.596 0.263 1
1 33 . 20 1 1 A 3 3 LEU CA C 3 54.426 53.989 0.437 1
1 34 . 20 1 1 A 3 3 LEU CB C 3 43.222 41.054 2.168 1
1 38 . 20 1 1 A 3 3 LEU N N 3 129.030 124.261 4.769 1
1 39 . 20 1 1 A 4 4 ILE H H 4 8.897 8.922 -0.025 1
1 40 . 20 1 1 A 4 4 ILE HA H 4 4.753 4.408 0.345 1
1 50 . 20 1 1 A 4 4 ILE C C 4 174.211 174.789 -0.578 1
1 51 . 20 1 1 A 4 4 ILE CA C 4 59.998 60.316 -0.318 1
1 52 . 20 1 1 A 4 4 ILE CB C 4 41.129 39.001 2.128 1
1 56 . 20 1 1 A 4 4 ILE N N 4 115.702 125.630 -9.928 1
1 57 . 20 1 1 A 5 5 TYR H H 5 9.050 8.908 0.142 1
1 58 . 20 1 1 A 5 5 TYR HA H 5 5.770 5.202 0.568 1
1 65 . 20 1 1 A 5 5 TYR C C 5 175.987 174.075 1.912 1
1 66 . 20 1 1 A 5 5 TYR CA C 5 57.923 56.504 1.419 1
1 67 . 20 1 1 A 5 5 TYR CB C 5 42.963 40.988 1.975 1
1 72 . 20 1 1 A 5 5 TYR N N 5 114.414 125.702 -11.288 1
1 73 . 20 1 1 A 6 6 LYS H H 6 8.858 8.868 -0.010 1
1 74 . 20 1 1 A 6 6 LYS HA H 6 4.813 5.022 -0.209 1
1 83 . 20 1 1 A 6 6 LYS C C 6 172.801 174.713 -1.912 1
1 84 . 20 1 1 A 6 6 LYS CA C 6 52.969 54.460 -1.491 1
1 85 . 20 1 1 A 6 6 LYS CB C 6 37.109 35.469 1.640 1
1 89 . 20 1 1 A 6 6 LYS N N 6 121.597 124.277 -2.680 1
1 90 . 20 1 1 A 7 7 ILE H H 7 8.277 8.727 -0.450 1
1 91 . 20 1 1 A 7 7 ILE HA H 7 4.702 4.682 0.020 1
1 101 . 20 1 1 A 7 7 ILE C C 7 173.742 174.484 -0.742 1
1 102 . 20 1 1 A 7 7 ILE CA C 7 60.340 60.048 0.292 1
1 103 . 20 1 1 A 7 7 ILE CB C 7 38.941 38.691 0.250 1
1 107 . 20 1 1 A 7 7 ILE N N 7 128.212 128.427 -0.215 1
1 108 . 20 1 1 A 8 8 LEU H H 8 8.627 8.519 0.108 1
1 109 . 20 1 1 A 8 8 LEU HA H 8 4.757 4.273 0.484 1
1 119 . 20 1 1 A 8 8 LEU C C 8 173.661 175.191 -1.530 1
1 120 . 20 1 1 A 8 8 LEU CA C 8 54.530 53.231 1.299 1
1 121 . 20 1 1 A 8 8 LEU CB C 8 43.617 45.133 -1.516 1
1 125 . 20 1 1 A 8 8 LEU N N 8 126.590 123.845 2.745 1
1 126 . 20 1 1 A 9 9 SER H H 9 8.546 8.837 -0.291 1
1 127 . 20 1 1 A 9 9 SER HA H 9 4.765 4.761 0.004 1
1 130 . 20 1 1 A 9 9 SER C C 9 175.160 175.537 -0.377 1
1 131 . 20 1 1 A 9 9 SER CA C 9 58.520 57.076 1.444 1
1 132 . 20 1 1 A 9 9 SER CB C 9 65.227 65.410 -0.183 1
1 133 . 20 1 1 A 9 9 SER N N 9 115.543 114.778 0.765 1
1 134 . 20 1 1 A 10 10 ARG H H 10 9.080 9.233 -0.153 1
1 135 . 20 1 1 A 10 10 ARG HA H 10 4.037 4.060 -0.023 1
1 143 . 20 1 1 A 10 10 ARG C C 10 177.847 178.053 -0.206 1
1 144 . 20 1 1 A 10 10 ARG CA C 10 59.210 59.733 -0.523 1
1 145 . 20 1 1 A 10 10 ARG CB C 10 28.776 29.741 -0.965 1
1 148 . 20 1 1 A 10 10 ARG N N 10 123.688 122.333 1.355 1
1 150 . 20 1 1 A 11 11 ALA H H 11 8.753 8.187 0.566 1
1 151 . 20 1 1 A 11 11 ALA HA H 11 4.248 4.103 0.145 1
1 155 . 20 1 1 A 11 11 ALA C C 11 181.848 180.239 1.609 1
1 156 . 20 1 1 A 11 11 ALA CA C 11 55.483 55.499 -0.016 1
1 157 . 20 1 1 A 11 11 ALA CB C 11 18.209 18.345 -0.136 1
1 158 . 20 1 1 A 11 11 ALA N N 11 119.698 122.140 -2.442 1
1 159 . 20 1 1 A 12 12 GLU H H 12 7.957 8.025 -0.068 1
1 160 . 20 1 1 A 12 12 GLU HA H 12 4.183 4.139 0.044 1
1 165 . 20 1 1 A 12 12 GLU C C 12 179.576 179.255 0.321 1
1 166 . 20 1 1 A 12 12 GLU CA C 12 59.103 59.495 -0.392 1
1 167 . 20 1 1 A 12 12 GLU CB C 12 31.077 29.843 1.234 1
1 169 . 20 1 1 A 12 12 GLU N N 12 118.210 117.763 0.447 1
1 170 . 20 1 1 A 13 13 TRP H H 13 8.585 8.408 0.177 1
1 171 . 20 1 1 A 13 13 TRP HA H 13 4.937 4.301 0.636 1
1 180 . 20 1 1 A 13 13 TRP C C 13 176.827 177.788 -0.961 1
1 181 . 20 1 1 A 13 13 TRP CA C 13 57.845 60.711 -2.866 1
1 182 . 20 1 1 A 13 13 TRP CB C 13 31.010 29.306 1.704 1
1 188 . 20 1 1 A 13 13 TRP N N 13 123.646 122.383 1.263 1
1 190 . 20 1 1 A 14 14 ASP H H 14 9.260 8.638 0.622 1
1 191 . 20 1 1 A 14 14 ASP HA H 14 4.048 3.967 0.081 1
1 194 . 20 1 1 A 14 14 ASP C C 14 180.120 177.941 2.179 1
1 195 . 20 1 1 A 14 14 ASP CA C 14 57.767 57.509 0.258 1
1 196 . 20 1 1 A 14 14 ASP CB C 14 39.467 41.574 -2.107 1
1 197 . 20 1 1 A 14 14 ASP N N 14 120.253 119.380 0.873 1
1 198 . 20 1 1 A 15 15 ALA H H 15 7.599 8.238 -0.639 1
1 199 . 20 1 1 A 15 15 ALA HA H 15 4.163 4.005 0.158 1
1 203 . 20 1 1 A 15 15 ALA C C 15 180.115 179.798 0.317 1
1 204 . 20 1 1 A 15 15 ALA CA C 15 55.016 55.183 -0.167 1
1 205 . 20 1 1 A 15 15 ALA CB C 15 17.871 18.094 -0.223 1
1 206 . 20 1 1 A 15 15 ALA N N 15 122.164 120.802 1.362 1
1 207 . 20 1 1 A 16 16 ALA H H 16 7.944 8.278 -0.334 1
1 208 . 20 1 1 A 16 16 ALA HA H 16 4.334 4.059 0.275 1
1 212 . 20 1 1 A 16 16 ALA C C 16 180.101 179.733 0.368 1
1 213 . 20 1 1 A 16 16 ALA CA C 16 54.659 55.243 -0.584 1
1 214 . 20 1 1 A 16 16 ALA CB C 16 19.107 18.426 0.681 1
1 215 . 20 1 1 A 16 16 ALA N N 16 122.526 120.039 2.487 1
1 216 . 20 1 1 A 17 17 LYS H H 17 8.317 7.653 0.664 1
1 217 . 20 1 1 A 17 17 LYS HA H 17 3.462 3.861 -0.399 1
1 226 . 20 1 1 A 17 17 LYS C C 17 179.126 179.020 0.106 1
1 227 . 20 1 1 A 17 17 LYS CA C 17 60.077 58.830 1.247 1
1 228 . 20 1 1 A 17 17 LYS CB C 17 31.431 31.694 -0.263 1
1 232 . 20 1 1 A 17 17 LYS N N 17 117.572 117.312 0.260 1
1 233 . 20 1 1 A 18 18 ALA H H 18 7.296 7.953 -0.657 1
1 234 . 20 1 1 A 18 18 ALA HA H 18 4.100 3.988 0.112 1
1 238 . 20 1 1 A 18 18 ALA C C 18 178.940 178.901 0.039 1
1 239 . 20 1 1 A 18 18 ALA CA C 18 54.513 54.836 -0.323 1
1 240 . 20 1 1 A 18 18 ALA CB C 18 18.132 18.184 -0.052 1
1 241 . 20 1 1 A 18 18 ALA N N 18 119.644 121.510 -1.866 1
1 242 . 20 1 1 A 19 19 GLN H H 19 7.443 7.425 0.018 1
1 243 . 20 1 1 A 19 19 GLN HA H 19 4.535 4.286 0.249 1
1 250 . 20 1 1 A 19 19 GLN C C 19 176.607 176.670 -0.063 1
1 251 . 20 1 1 A 19 19 GLN CA C 19 55.755 56.084 -0.329 1
1 252 . 20 1 1 A 19 19 GLN CB C 19 30.075 29.203 0.872 1
1 255 . 20 1 1 A 19 19 GLN N N 19 113.538 115.314 -1.776 1
1 257 . 20 1 1 A 20 20 GLY H H 20 8.277 8.932 -0.655 1
1 258 . 20 1 1 A 20 20 GLY HA2 H 20 4.450 3.871 0.579 1
1 259 . 20 1 1 A 20 20 GLY HA3 H 20 3.627 3.896 -0.269 1
1 260 . 20 1 1 A 20 20 GLY C C 20 174.006 173.442 0.564 1
1 261 . 20 1 1 A 20 20 GLY CA C 20 45.567 45.596 -0.029 1
1 262 . 20 1 1 A 20 20 GLY N N 20 108.233 109.461 -1.228 1
1 263 . 20 1 1 A 21 21 ARG H H 21 7.786 7.904 -0.118 1
1 264 . 20 1 1 A 21 21 ARG HA H 21 5.123 4.872 0.251 1
1 272 . 20 1 1 A 21 21 ARG C C 21 171.553 174.653 -3.100 1
1 273 . 20 1 1 A 21 21 ARG CA C 21 54.882 54.360 0.522 1
1 274 . 20 1 1 A 21 21 ARG CB C 21 32.114 33.018 -0.904 1
1 277 . 20 1 1 A 21 21 ARG N N 21 116.837 120.103 -3.266 1
1 279 . 20 1 1 A 22 22 PHE H H 22 9.821 9.471 0.350 1
1 280 . 20 1 1 A 22 22 PHE HA H 22 5.185 4.800 0.385 1
1 285 . 20 1 1 A 22 22 PHE C C 22 173.825 173.881 -0.056 1
1 286 . 20 1 1 A 22 22 PHE CA C 22 54.913 56.609 -1.696 1
1 287 . 20 1 1 A 22 22 PHE CB C 22 41.568 38.709 2.859 1
1 290 . 20 1 1 A 22 22 PHE N N 22 121.680 126.197 -4.517 1
1 291 . 20 1 1 A 23 23 GLU H H 23 9.053 8.169 0.884 1
1 292 . 20 1 1 A 23 23 GLU HA H 23 3.893 4.561 -0.668 1
1 297 . 20 1 1 A 23 23 GLU C C 23 174.856 176.417 -1.561 1
1 298 . 20 1 1 A 23 23 GLU CA C 23 56.781 55.292 1.489 1
1 299 . 20 1 1 A 23 23 GLU CB C 23 29.990 28.197 1.793 1
1 301 . 20 1 1 A 23 23 GLU N N 23 125.059 127.827 -2.768 1
1 302 . 20 1 1 A 24 24 GLY HA2 H 24 4.212 3.766 0.446 1
1 303 . 20 1 1 A 24 24 GLY HA3 H 24 3.112 3.813 -0.701 1
1 304 . 20 1 1 A 24 24 GLY C C 24 173.311 172.311 1.000 1
1 305 . 20 1 1 A 24 24 GLY CA C 24 45.104 46.635 -1.531 1
1 306 . 20 1 1 A 25 25 SER H H 25 9.877 7.679 2.198 1
1 307 . 20 1 1 A 25 25 SER HA H 25 4.884 4.651 0.233 1
1 310 . 20 1 1 A 25 25 SER C C 25 173.788 173.730 0.058 1
1 311 . 20 1 1 A 25 25 SER CA C 25 57.549 56.806 0.743 1
1 312 . 20 1 1 A 25 25 SER CB C 25 65.383 64.493 0.890 1
1 313 . 20 1 1 A 25 25 SER N N 25 121.073 115.516 5.557 1
1 314 . 20 1 1 A 26 26 ALA H H 26 9.097 8.861 0.236 1
1 315 . 20 1 1 A 26 26 ALA HA H 26 3.964 4.039 -0.075 1
1 319 . 20 1 1 A 26 26 ALA C C 26 181.102 179.490 1.612 1
1 320 . 20 1 1 A 26 26 ALA CA C 26 56.670 55.677 0.993 1
1 321 . 20 1 1 A 26 26 ALA CB C 26 17.927 18.195 -0.268 1
1 322 . 20 1 1 A 26 26 ALA N N 26 123.398 126.093 -2.695 1
1 323 . 20 1 1 A 27 27 VAL H H 27 7.928 8.017 -0.089 1
1 324 . 20 1 1 A 27 27 VAL HA H 27 3.593 3.834 -0.241 1
1 332 . 20 1 1 A 27 27 VAL C C 27 176.628 177.077 -0.449 1
1 333 . 20 1 1 A 27 27 VAL CA C 27 65.257 64.553 0.704 1
1 334 . 20 1 1 A 27 27 VAL CB C 27 31.688 31.469 0.219 1
1 337 . 20 1 1 A 27 27 VAL N N 27 117.697 116.087 1.610 1
1 338 . 20 1 1 A 28 28 ASP H H 28 6.927 8.388 -1.461 1
1 339 . 20 1 1 A 28 28 ASP HA H 28 4.512 4.520 -0.008 1
1 342 . 20 1 1 A 28 28 ASP C C 28 178.402 178.668 -0.266 1
1 343 . 20 1 1 A 28 28 ASP CA C 28 56.586 57.713 -1.127 1
1 344 . 20 1 1 A 28 28 ASP CB C 28 41.317 41.400 -0.083 1
1 345 . 20 1 1 A 28 28 ASP N N 28 121.516 121.877 -0.361 1
1 346 . 20 1 1 A 29 29 LEU H H 29 8.309 8.022 0.287 1
1 347 . 20 1 1 A 29 29 LEU HA H 29 3.764 3.973 -0.209 1
1 357 . 20 1 1 A 29 29 LEU C C 29 180.093 179.303 0.790 1
1 358 . 20 1 1 A 29 29 LEU CA C 29 57.091 57.716 -0.625 1
1 359 . 20 1 1 A 29 29 LEU CB C 29 41.418 41.002 0.416 1
1 363 . 20 1 1 A 29 29 LEU N N 29 118.648 119.743 -1.095 1
1 364 . 20 1 1 A 30 30 ALA H H 30 7.458 7.998 -0.540 1
1 365 . 20 1 1 A 30 30 ALA HA H 30 4.000 3.963 0.037 1
1 369 . 20 1 1 A 30 30 ALA C C 30 179.371 178.635 0.736 1
1 370 . 20 1 1 A 30 30 ALA CA C 30 54.526 55.062 -0.536 1
1 371 . 20 1 1 A 30 30 ALA CB C 30 18.102 17.984 0.118 1
1 372 . 20 1 1 A 30 30 ALA N N 30 120.814 122.381 -1.567 1
1 373 . 20 1 1 A 31 31 ASP H H 31 7.682 7.666 0.016 1
1 374 . 20 1 1 A 31 31 ASP HA H 31 4.410 4.408 0.002 1
1 377 . 20 1 1 A 31 31 ASP C C 31 176.610 176.059 0.551 1
1 378 . 20 1 1 A 31 31 ASP CA C 31 55.271 54.024 1.247 1
1 379 . 20 1 1 A 31 31 ASP CB C 31 40.083 41.407 -1.324 1
1 380 . 20 1 1 A 31 31 ASP N N 31 117.191 116.253 0.938 1
1 381 . 20 1 1 A 32 32 GLY H H 32 7.909 9.278 -1.369 1
1 382 . 20 1 1 A 32 32 GLY HA2 H 32 4.090 3.417 0.673 1
1 383 . 20 1 1 A 32 32 GLY HA3 H 32 3.597 3.661 -0.064 1
1 384 . 20 1 1 A 32 32 GLY C C 32 173.168 173.066 0.102 1
1 385 . 20 1 1 A 32 32 GLY CA C 32 45.112 44.922 0.190 1
1 386 . 20 1 1 A 32 32 GLY N N 32 106.983 107.311 -0.328 1
1 387 . 20 1 1 A 33 33 PHE H H 33 7.233 6.555 0.678 1
1 388 . 20 1 1 A 33 33 PHE HA H 33 4.212 4.878 -0.666 1
1 396 . 20 1 1 A 33 33 PHE C C 33 171.389 174.039 -2.650 1
1 397 . 20 1 1 A 33 33 PHE CA C 33 55.383 55.745 -0.362 1
1 398 . 20 1 1 A 33 33 PHE CB C 33 37.177 41.079 -3.902 1
1 404 . 20 1 1 A 33 33 PHE N N 33 115.364 114.442 0.922 1
1 405 . 20 1 1 A 34 34 ILE H H 34 8.637 8.770 -0.133 1
1 406 . 20 1 1 A 34 34 ILE HA H 34 3.817 4.130 -0.313 1
1 416 . 20 1 1 A 34 34 ILE C C 34 177.018 176.605 0.413 1
1 417 . 20 1 1 A 34 34 ILE CA C 34 60.724 62.585 -1.861 1
1 418 . 20 1 1 A 34 34 ILE CB C 34 39.266 37.927 1.339 1
1 422 . 20 1 1 A 34 34 ILE N N 34 114.086 122.295 -8.209 1
1 423 . 20 1 1 A 35 35 HIS H H 35 9.203 8.875 0.328 1
1 424 . 20 1 1 A 35 35 HIS HA H 35 4.448 4.753 -0.305 1
1 428 . 20 1 1 A 35 35 HIS C C 35 175.740 174.938 0.802 1
1 429 . 20 1 1 A 35 35 HIS CA C 35 57.757 56.953 0.804 1
1 430 . 20 1 1 A 35 35 HIS CB C 35 29.758 30.694 -0.936 1
1 432 . 20 1 1 A 35 35 HIS N N 35 127.988 125.856 2.132 1
1 433 . 20 1 1 A 36 36 LEU H H 36 8.454 8.781 -0.327 1
1 434 . 20 1 1 A 36 36 LEU HA H 36 5.190 4.389 0.801 1
1 444 . 20 1 1 A 36 36 LEU C C 36 174.813 177.024 -2.211 1
1 445 . 20 1 1 A 36 36 LEU CA C 36 56.019 55.679 0.340 1
1 446 . 20 1 1 A 36 36 LEU CB C 36 44.541 43.655 0.886 1
1 450 . 20 1 1 A 36 36 LEU N N 36 126.075 124.583 1.492 1
1 451 . 20 1 1 A 37 37 SER H H 37 9.128 7.908 1.220 1
1 452 . 20 1 1 A 37 37 SER HA H 37 5.277 4.483 0.794 1
1 455 . 20 1 1 A 37 37 SER C C 37 174.433 173.756 0.677 1
1 456 . 20 1 1 A 37 37 SER CA C 37 57.990 60.418 -2.428 1
1 457 . 20 1 1 A 37 37 SER CB C 37 66.778 62.188 4.590 1
1 458 . 20 1 1 A 37 37 SER N N 37 112.795 112.853 -0.058 1
1 459 . 20 1 1 A 38 38 ALA H H 38 9.665 8.311 1.354 1
1 460 . 20 1 1 A 38 38 ALA HA H 38 4.973 4.531 0.442 1
1 464 . 20 1 1 A 38 38 ALA C C 38 179.640 178.664 0.976 1
1 465 . 20 1 1 A 38 38 ALA CA C 38 52.303 51.213 1.090 1
1 466 . 20 1 1 A 38 38 ALA CB C 38 19.350 21.301 -1.951 1
1 467 . 20 1 1 A 38 38 ALA N N 38 127.103 124.951 2.152 1
1 468 . 20 1 1 A 39 39 GLY H H 39 10.159 8.845 1.314 1
1 469 . 20 1 1 A 39 39 GLY HA2 H 39 4.249 4.015 0.234 1
1 470 . 20 1 1 A 39 39 GLY HA3 H 39 3.720 4.104 -0.384 1
1 471 . 20 1 1 A 39 39 GLY C C 39 176.229 175.747 0.482 1
1 472 . 20 1 1 A 39 39 GLY CA C 39 49.163 47.628 1.535 1
1 473 . 20 1 1 A 39 39 GLY N N 39 112.007 106.400 5.607 1
1 474 . 20 1 1 A 40 40 GLU H H 40 9.367 8.416 0.951 1
1 475 . 20 1 1 A 40 40 GLU HA H 40 4.234 4.013 0.221 1
1 480 . 20 1 1 A 40 40 GLU C C 40 176.417 179.274 -2.857 1
1 481 . 20 1 1 A 40 40 GLU CA C 40 58.622 59.456 -0.834 1
1 482 . 20 1 1 A 40 40 GLU CB C 40 28.796 29.468 -0.672 1
1 484 . 20 1 1 A 40 40 GLU N N 40 117.243 121.566 -4.323 1
1 485 . 20 1 1 A 41 41 GLN H H 41 7.503 8.109 -0.606 1
1 486 . 20 1 1 A 41 41 GLN HA H 41 4.752 4.195 0.557 1
1 493 . 20 1 1 A 41 41 GLN C C 41 177.730 178.576 -0.846 1
1 494 . 20 1 1 A 41 41 GLN CA C 41 55.626 58.132 -2.506 1
1 495 . 20 1 1 A 41 41 GLN CB C 41 30.653 28.196 2.457 1
1 498 . 20 1 1 A 41 41 GLN N N 41 115.837 117.995 -2.158 1
1 500 . 20 1 1 A 42 42 ALA H H 42 7.519 8.549 -1.030 1
1 501 . 20 1 1 A 42 42 ALA HA H 42 3.927 3.995 -0.068 1
1 505 . 20 1 1 A 42 42 ALA C C 42 177.826 179.056 -1.230 1
1 506 . 20 1 1 A 42 42 ALA CA C 42 56.706 55.527 1.179 1
1 507 . 20 1 1 A 42 42 ALA CB C 42 18.247 18.597 -0.350 1
1 508 . 20 1 1 A 42 42 ALA N N 42 123.105 122.639 0.466 1
1 509 . 20 1 1 A 43 43 GLN H H 43 9.203 8.070 1.133 1
1 510 . 20 1 1 A 43 43 GLN HA H 43 3.942 3.984 -0.042 1
1 517 . 20 1 1 A 43 43 GLN C C 43 177.913 177.887 0.026 1
1 518 . 20 1 1 A 43 43 GLN CA C 43 58.678 59.386 -0.708 1
1 519 . 20 1 1 A 43 43 GLN CB C 43 28.815 28.367 0.448 1
1 522 . 20 1 1 A 43 43 GLN N N 43 118.650 117.953 0.697 1
1 524 . 20 1 1 A 44 44 GLU H H 44 8.611 7.895 0.716 1
1 525 . 20 1 1 A 44 44 GLU HA H 44 4.207 4.118 0.089 1
1 530 . 20 1 1 A 44 44 GLU C C 44 179.090 179.336 -0.246 1
1 531 . 20 1 1 A 44 44 GLU CA C 44 59.246 59.266 -0.020 1
1 532 . 20 1 1 A 44 44 GLU CB C 44 28.850 29.370 -0.520 1
1 534 . 20 1 1 A 44 44 GLU N N 44 122.042 119.601 2.441 1
1 535 . 20 1 1 A 45 45 THR H H 45 8.292 8.414 -0.122 1
1 536 . 20 1 1 A 45 45 THR HA H 45 4.123 4.044 0.079 1
1 541 . 20 1 1 A 45 45 THR C C 45 176.228 176.424 -0.196 1
1 542 . 20 1 1 A 45 45 THR CA C 45 66.902 66.104 0.798 1
1 543 . 20 1 1 A 45 45 THR CB C 45 68.949 68.531 0.418 1
1 545 . 20 1 1 A 45 45 THR N N 45 117.583 116.057 1.526 1
1 546 . 20 1 1 A 46 46 ALA H H 46 8.275 8.780 -0.505 1
1 547 . 20 1 1 A 46 46 ALA HA H 46 4.255 4.213 0.042 1
1 551 . 20 1 1 A 46 46 ALA C C 46 178.630 179.604 -0.974 1
1 552 . 20 1 1 A 46 46 ALA CA C 46 55.406 55.591 -0.185 1
1 553 . 20 1 1 A 46 46 ALA CB C 46 18.482 18.228 0.254 1
1 554 . 20 1 1 A 46 46 ALA N N 46 123.184 123.703 -0.519 1
1 555 . 20 1 1 A 47 47 ALA H H 47 8.066 8.359 -0.293 1
1 556 . 20 1 1 A 47 47 ALA HA H 47 3.953 4.154 -0.201 1
1 560 . 20 1 1 A 47 47 ALA C C 47 178.552 180.506 -1.954 1
1 561 . 20 1 1 A 47 47 ALA CA C 47 55.030 55.260 -0.230 1
1 562 . 20 1 1 A 47 47 ALA CB C 47 18.899 18.279 0.620 1
1 563 . 20 1 1 A 47 47 ALA N N 47 117.129 119.939 -2.810 1
1 564 . 20 1 1 A 48 48 LYS H H 48 8.089 7.816 0.273 1
1 565 . 20 1 1 A 48 48 LYS HA H 48 3.936 4.116 -0.180 1
1 574 . 20 1 1 A 48 48 LYS C C 48 179.130 178.674 0.456 1
1 575 . 20 1 1 A 48 48 LYS CA C 48 58.560 58.915 -0.355 1
1 576 . 20 1 1 A 48 48 LYS CB C 48 33.122 33.073 0.049 1
1 580 . 20 1 1 A 48 48 LYS N N 48 115.322 117.648 -2.326 1
1 581 . 20 1 1 A 49 49 TRP H H 49 7.978 8.295 -0.317 1
1 582 . 20 1 1 A 49 49 TRP HA H 49 4.807 4.442 0.365 1
1 591 . 20 1 1 A 49 49 TRP C C 49 176.923 176.746 0.177 1
1 592 . 20 1 1 A 49 49 TRP CA C 49 57.157 59.007 -1.850 1
1 593 . 20 1 1 A 49 49 TRP CB C 49 31.461 30.546 0.915 1
1 599 . 20 1 1 A 49 49 TRP N N 49 114.492 118.066 -3.574 1
1 601 . 20 1 1 A 50 50 PHE H H 50 7.740 8.360 -0.620 1
1 602 . 20 1 1 A 50 50 PHE HA H 50 4.925 5.069 -0.144 1
1 608 . 20 1 1 A 50 50 PHE C C 50 174.160 175.989 -1.829 1
1 609 . 20 1 1 A 50 50 PHE CA C 50 57.772 56.148 1.624 1
1 610 . 20 1 1 A 50 50 PHE CB C 50 39.610 37.733 1.877 1
1 614 . 20 1 1 A 50 50 PHE N N 50 116.540 116.192 0.348 1
1 615 . 20 1 1 A 51 51 ARG H H 51 7.389 8.000 -0.611 1
1 616 . 20 1 1 A 51 51 ARG HA H 51 4.198 4.188 0.010 1
1 624 . 20 1 1 A 51 51 ARG C C 51 179.130 176.537 2.593 1
1 625 . 20 1 1 A 51 51 ARG CA C 51 58.224 56.499 1.725 1
1 626 . 20 1 1 A 51 51 ARG CB C 51 30.032 29.847 0.185 1
1 629 . 20 1 1 A 51 51 ARG N N 51 119.136 119.134 0.002 1
1 631 . 20 1 1 A 52 52 GLY H H 52 10.264 7.624 2.640 1
1 632 . 20 1 1 A 52 52 GLY HA2 H 52 4.180 4.137 0.043 1
1 633 . 20 1 1 A 52 52 GLY HA3 H 52 3.745 4.150 -0.405 1
1 634 . 20 1 1 A 52 52 GLY C C 52 173.980 174.917 -0.937 1
1 635 . 20 1 1 A 52 52 GLY CA C 52 45.517 45.602 -0.085 1
1 636 . 20 1 1 A 52 52 GLY N N 52 114.192 108.708 5.484 1
1 637 . 20 1 1 A 53 53 GLN H H 53 7.597 8.604 -1.007 1
1 638 . 20 1 1 A 53 53 GLN HA H 53 4.437 4.632 -0.195 1
1 645 . 20 1 1 A 53 53 GLN C C 53 172.934 175.599 -2.665 1
1 646 . 20 1 1 A 53 53 GLN CA C 53 56.280 55.129 1.151 1
1 647 . 20 1 1 A 53 53 GLN CB C 53 29.123 29.108 0.015 1
1 650 . 20 1 1 A 53 53 GLN N N 53 120.438 118.707 1.731 1
1 652 . 20 1 1 A 54 54 ALA H H 54 8.190 8.222 -0.032 1
1 653 . 20 1 1 A 54 54 ALA HA H 54 4.344 3.871 0.473 1
1 657 . 20 1 1 A 54 54 ALA C C 54 177.278 177.444 -0.166 1
1 658 . 20 1 1 A 54 54 ALA CA C 54 51.377 54.926 -3.549 1
1 659 . 20 1 1 A 54 54 ALA CB C 54 20.525 17.877 2.648 1
1 660 . 20 1 1 A 54 54 ALA N N 54 124.528 120.029 4.499 1
1 661 . 20 1 1 A 55 55 ASN H H 55 8.903 8.666 0.237 1
1 662 . 20 1 1 A 55 55 ASN HA H 55 4.598 4.890 -0.292 1
1 667 . 20 1 1 A 55 55 ASN C C 55 174.075 173.914 0.161 1
1 668 . 20 1 1 A 55 55 ASN CA C 55 53.986 52.415 1.571 1
1 669 . 20 1 1 A 55 55 ASN CB C 55 37.654 36.894 0.760 1
1 671 . 20 1 1 A 55 55 ASN N N 55 113.776 116.591 -2.815 1
1 673 . 20 1 1 A 56 56 LEU H H 56 8.543 8.397 0.146 1
1 674 . 20 1 1 A 56 56 LEU HA H 56 4.677 4.616 0.061 1
1 684 . 20 1 1 A 56 56 LEU C C 56 176.806 176.357 0.449 1
1 685 . 20 1 1 A 56 56 LEU CA C 56 54.383 54.021 0.362 1
1 686 . 20 1 1 A 56 56 LEU CB C 56 45.328 42.835 2.493 1
1 690 . 20 1 1 A 56 56 LEU N N 56 117.411 124.595 -7.184 1
1 691 . 20 1 1 A 57 57 VAL H H 57 9.207 8.829 0.378 1
1 692 . 20 1 1 A 57 57 VAL HA H 57 4.633 4.757 -0.124 1
1 700 . 20 1 1 A 57 57 VAL C C 57 172.465 173.503 -1.038 1
1 701 . 20 1 1 A 57 57 VAL CA C 57 59.970 60.722 -0.752 1
1 702 . 20 1 1 A 57 57 VAL CB C 57 35.376 35.080 0.296 1
1 705 . 20 1 1 A 57 57 VAL N N 57 121.448 123.438 -1.990 1
1 706 . 20 1 1 A 58 58 LEU H H 58 8.855 8.891 -0.036 1
1 707 . 20 1 1 A 58 58 LEU HA H 58 4.763 4.896 -0.133 1
1 717 . 20 1 1 A 58 58 LEU C C 58 175.349 174.730 0.619 1
1 718 . 20 1 1 A 58 58 LEU CA C 58 52.286 53.206 -0.920 1
1 719 . 20 1 1 A 58 58 LEU CB C 58 46.390 44.724 1.666 1
1 723 . 20 1 1 A 58 58 LEU N N 58 124.476 129.234 -4.758 1
1 724 . 20 1 1 A 59 59 LEU H H 59 9.265 9.168 0.097 1
1 725 . 20 1 1 A 59 59 LEU HA H 59 4.714 4.242 0.472 1
1 735 . 20 1 1 A 59 59 LEU C C 59 175.262 175.507 -0.245 1
1 736 . 20 1 1 A 59 59 LEU CA C 59 52.753 54.165 -1.412 1
1 737 . 20 1 1 A 59 59 LEU CB C 59 42.431 40.869 1.562 1
1 741 . 20 1 1 A 59 59 LEU N N 59 125.973 128.579 -2.606 1
1 742 . 20 1 1 A 60 60 ALA H H 60 8.331 8.840 -0.509 1
1 743 . 20 1 1 A 60 60 ALA HA H 60 4.739 5.107 -0.368 1
1 747 . 20 1 1 A 60 60 ALA C C 60 175.631 176.225 -0.594 1
1 748 . 20 1 1 A 60 60 ALA CA C 60 50.320 50.855 -0.535 1
1 749 . 20 1 1 A 60 60 ALA CB C 60 21.744 20.319 1.425 1
1 750 . 20 1 1 A 60 60 ALA N N 60 124.617 128.585 -3.968 1
1 751 . 20 1 1 A 61 61 VAL H H 61 8.944 9.053 -0.109 1
1 752 . 20 1 1 A 61 61 VAL HA H 61 4.244 4.582 -0.338 1
1 760 . 20 1 1 A 61 61 VAL C C 61 174.674 174.720 -0.046 1
1 761 . 20 1 1 A 61 61 VAL CA C 61 60.770 61.183 -0.413 1
1 762 . 20 1 1 A 61 61 VAL CB C 61 36.636 34.292 2.344 1
1 765 . 20 1 1 A 61 61 VAL N N 61 124.079 124.074 0.005 1
1 766 . 20 1 1 A 62 62 GLU H H 62 8.490 8.680 -0.190 1
1 767 . 20 1 1 A 62 62 GLU HA H 62 4.551 4.568 -0.017 1
1 772 . 20 1 1 A 62 62 GLU C C 62 177.700 176.730 0.970 1
1 773 . 20 1 1 A 62 62 GLU CA C 62 56.879 56.187 0.692 1
1 774 . 20 1 1 A 62 62 GLU CB C 62 29.372 29.201 0.171 1
1 776 . 20 1 1 A 62 62 GLU N N 62 127.752 128.337 -0.585 1
1 777 . 20 1 1 A 63 63 ALA H H 63 9.173 9.295 -0.122 1
1 778 . 20 1 1 A 63 63 ALA HA H 63 3.991 4.477 -0.486 1
1 782 . 20 1 1 A 63 63 ALA C C 63 180.311 177.476 2.835 1
1 783 . 20 1 1 A 63 63 ALA CA C 63 54.850 52.603 2.247 1
1 784 . 20 1 1 A 63 63 ALA CB C 63 19.495 18.762 0.733 1
1 785 . 20 1 1 A 63 63 ALA N N 63 127.466 128.428 -0.962 1
1 786 . 20 1 1 A 64 64 GLU H H 64 9.571 8.060 1.511 1
1 787 . 20 1 1 A 64 64 GLU HA H 64 4.146 4.179 -0.033 1
1 792 . 20 1 1 A 64 64 GLU C C 64 177.102 176.305 0.797 1
1 793 . 20 1 1 A 64 64 GLU CA C 64 63.532 60.957 2.575 1
1 794 . 20 1 1 A 64 64 GLU CB C 64 25.742 28.501 -2.759 1
1 796 . 20 1 1 A 64 64 GLU N N 64 120.368 119.159 1.209 1
1 797 . 20 1 1 A 65 65 PRO HA H 65 4.440 4.654 -0.214 1
1 804 . 20 1 1 A 65 65 PRO C C 65 177.332 177.018 0.314 1
1 805 . 20 1 1 A 65 65 PRO CA C 65 64.973 62.294 2.679 1
1 806 . 20 1 1 A 65 65 PRO CB C 65 31.341 32.567 -1.226 1
1 809 . 20 1 1 A 66 66 LEU H H 66 7.412 8.918 -1.506 1
1 810 . 20 1 1 A 66 66 LEU HA H 66 4.023 4.039 -0.016 1
1 820 . 20 1 1 A 66 66 LEU C C 66 178.533 176.648 1.885 1
1 821 . 20 1 1 A 66 66 LEU CA C 66 55.861 57.439 -1.578 1
1 822 . 20 1 1 A 66 66 LEU CB C 66 41.349 40.099 1.250 1
1 826 . 20 1 1 A 66 66 LEU N N 66 114.991 117.787 -2.796 1
1 827 . 20 1 1 A 67 67 GLY H H 67 7.733 8.939 -1.206 1
1 828 . 20 1 1 A 67 67 GLY HA2 H 67 4.018 3.932 0.086 1
1 829 . 20 1 1 A 67 67 GLY HA3 H 67 3.909 3.943 -0.034 1
1 830 . 20 1 1 A 67 67 GLY C C 67 175.925 175.277 0.648 1
1 831 . 20 1 1 A 67 67 GLY CA C 67 46.054 47.352 -1.298 1
1 832 . 20 1 1 A 67 67 GLY N N 67 104.242 106.890 -2.648 1
1 833 . 20 1 1 A 68 68 GLU H H 68 8.887 8.952 -0.065 1
1 834 . 20 1 1 A 68 68 GLU HA H 68 4.219 4.177 0.042 1
1 839 . 20 1 1 A 68 68 GLU C C 68 176.314 177.854 -1.540 1
1 840 . 20 1 1 A 68 68 GLU CA C 68 57.652 58.607 -0.955 1
1 841 . 20 1 1 A 68 68 GLU CB C 68 29.306 28.951 0.355 1
1 843 . 20 1 1 A 68 68 GLU N N 68 121.253 126.245 -4.992 1
1 844 . 20 1 1 A 69 69 ASP H H 69 7.630 8.073 -0.443 1
1 845 . 20 1 1 A 69 69 ASP HA H 69 4.587 4.677 -0.090 1
1 848 . 20 1 1 A 69 69 ASP C C 69 174.665 175.804 -1.139 1
1 849 . 20 1 1 A 69 69 ASP CA C 69 56.078 56.322 -0.244 1
1 850 . 20 1 1 A 69 69 ASP CB C 69 41.572 40.986 0.586 1
1 851 . 20 1 1 A 69 69 ASP N N 69 116.486 118.441 -1.955 1
1 852 . 20 1 1 A 70 70 LEU H H 70 7.433 7.578 -0.145 1
1 853 . 20 1 1 A 70 70 LEU HA H 70 4.854 5.054 -0.200 1
1 863 . 20 1 1 A 70 70 LEU C C 70 174.259 174.688 -0.429 1
1 864 . 20 1 1 A 70 70 LEU CA C 70 53.281 53.840 -0.559 1
1 865 . 20 1 1 A 70 70 LEU CB C 70 43.024 46.305 -3.281 1
1 869 . 20 1 1 A 70 70 LEU N N 70 121.585 119.392 2.193 1
1 870 . 20 1 1 A 71 71 LYS H H 71 9.114 8.449 0.665 1
1 871 . 20 1 1 A 71 71 LYS HA H 71 4.724 4.798 -0.074 1
1 880 . 20 1 1 A 71 71 LYS C C 71 175.146 174.693 0.453 1
1 881 . 20 1 1 A 71 71 LYS CA C 71 54.024 55.257 -1.233 1
1 882 . 20 1 1 A 71 71 LYS CB C 71 35.469 36.394 -0.925 1
1 886 . 20 1 1 A 71 71 LYS N N 71 126.179 124.154 2.025 1
1 887 . 20 1 1 A 72 72 TRP H H 72 8.981 9.013 -0.032 1
1 888 . 20 1 1 A 72 72 TRP HA H 72 4.720 4.739 -0.019 1
1 897 . 20 1 1 A 72 72 TRP C C 72 176.394 175.721 0.673 1
1 898 . 20 1 1 A 72 72 TRP CA C 72 55.876 56.665 -0.789 1
1 899 . 20 1 1 A 72 72 TRP CB C 72 27.789 28.004 -0.215 1
1 905 . 20 1 1 A 72 72 TRP N N 72 125.904 127.936 -2.032 1
1 907 . 20 1 1 A 73 73 GLU H H 73 8.558 8.873 -0.315 1
1 908 . 20 1 1 A 73 73 GLU HA H 73 4.762 4.689 0.073 1
1 913 . 20 1 1 A 73 73 GLU C C 73 175.459 176.816 -1.357 1
1 914 . 20 1 1 A 73 73 GLU CA C 73 55.208 55.954 -0.746 1
1 915 . 20 1 1 A 73 73 GLU CB C 73 32.615 31.006 1.609 1
1 917 . 20 1 1 A 73 73 GLU N N 73 123.290 126.116 -2.826 1
1 918 . 20 1 1 A 74 74 ALA H H 74 8.962 8.399 0.563 1
1 919 . 20 1 1 A 74 74 ALA HA H 74 4.738 4.976 -0.238 1
1 923 . 20 1 1 A 74 74 ALA C C 74 177.803 177.090 0.713 1
1 924 . 20 1 1 A 74 74 ALA CA C 74 52.246 52.078 0.168 1
1 925 . 20 1 1 A 74 74 ALA CB C 74 20.070 19.959 0.111 1
1 926 . 20 1 1 A 74 74 ALA N N 74 127.315 129.646 -2.331 1
1 927 . 20 1 1 A 75 75 SER H H 75 8.762 8.753 0.009 1
1 928 . 20 1 1 A 75 75 SER HA H 75 4.850 5.085 -0.235 1
1 931 . 20 1 1 A 75 75 SER C C 75 176.080 172.871 3.209 1
1 932 . 20 1 1 A 75 75 SER CA C 75 56.954 55.678 1.276 1
1 933 . 20 1 1 A 75 75 SER CB C 75 65.244 66.086 -0.842 1
1 934 . 20 1 1 A 75 75 SER N N 75 117.745 114.554 3.191 1
1 935 . 20 1 1 A 76 76 ARG HA H 76 4.193 4.015 0.178 1
1 943 . 20 1 1 A 76 76 ARG CA C 76 58.895 58.096 0.799 1
1 944 . 20 1 1 A 76 76 ARG CB C 76 29.877 29.909 -0.032 1
1 947 . 20 1 1 A 77 77 GLY C C 77 175.277 175.546 -0.269 1
1 948 . 20 1 1 A 78 78 GLY H H 78 8.045 8.701 -0.656 1
1 949 . 20 1 1 A 78 78 GLY HA2 H 78 4.390 3.952 0.438 1
1 950 . 20 1 1 A 78 78 GLY HA3 H 78 3.786 3.965 -0.179 1
1 951 . 20 1 1 A 78 78 GLY C C 78 173.503 174.441 -0.938 1
1 952 . 20 1 1 A 78 78 GLY CA C 78 45.296 45.467 -0.171 1
1 953 . 20 1 1 A 78 78 GLY N N 78 110.323 109.396 0.927 1
1 954 . 20 1 1 A 79 79 ALA H H 79 7.879 8.085 -0.206 1
1 955 . 20 1 1 A 79 79 ALA HA H 79 4.357 4.237 0.120 1
1 959 . 20 1 1 A 79 79 ALA C C 79 176.674 177.109 -0.435 1
1 960 . 20 1 1 A 79 79 ALA CA C 79 52.151 52.368 -0.217 1
1 961 . 20 1 1 A 79 79 ALA CB C 79 20.171 19.372 0.799 1
1 962 . 20 1 1 A 79 79 ALA N N 79 123.865 124.100 -0.235 1
1 963 . 20 1 1 A 80 80 ARG H H 80 8.375 8.417 -0.042 1
1 964 . 20 1 1 A 80 80 ARG HA H 80 4.629 4.764 -0.135 1
1 972 . 20 1 1 A 80 80 ARG C C 80 175.713 175.131 0.582 1
1 973 . 20 1 1 A 80 80 ARG CA C 80 55.622 55.169 0.453 1
1 974 . 20 1 1 A 80 80 ARG CB C 80 32.074 31.132 0.942 1
1 977 . 20 1 1 A 80 80 ARG N N 80 119.145 122.696 -3.551 1
1 979 . 20 1 1 A 81 81 PHE H H 81 8.722 9.190 -0.468 1
1 980 . 20 1 1 A 81 81 PHE HA H 81 5.156 4.818 0.338 1
1 988 . 20 1 1 A 81 81 PHE C C 81 172.806 173.757 -0.951 1
1 989 . 20 1 1 A 81 81 PHE CA C 81 54.950 55.186 -0.236 1
1 990 . 20 1 1 A 81 81 PHE CB C 81 42.240 39.911 2.329 1
1 996 . 20 1 1 A 81 81 PHE N N 81 123.774 123.207 0.567 1
1 997 . 20 1 1 A 82 82 PRO HA H 82 3.635 4.169 -0.534 1
1 1004 . 20 1 1 A 82 82 PRO C C 82 174.511 175.570 -1.059 1
1 1005 . 20 1 1 A 82 82 PRO CA C 82 61.347 62.233 -0.886 1
1 1006 . 20 1 1 A 82 82 PRO CB C 82 29.495 30.687 -1.192 1
1 1009 . 20 1 1 A 83 83 HIS H H 83 8.831 8.459 0.372 1
1 1010 . 20 1 1 A 83 83 HIS HA H 83 5.330 4.980 0.350 1
1 1014 . 20 1 1 A 83 83 HIS C C 83 172.952 174.225 -1.273 1
1 1015 . 20 1 1 A 83 83 HIS CA C 83 50.700 55.352 -4.652 1
1 1016 . 20 1 1 A 83 83 HIS CB C 83 33.238 31.419 1.819 1
1 1018 . 20 1 1 A 83 83 HIS N N 83 124.483 123.149 1.334 1
1 1019 . 20 1 1 A 84 84 LEU H H 84 9.063 8.323 0.740 1
1 1020 . 20 1 1 A 84 84 LEU HA H 84 5.163 4.651 0.512 1
1 1030 . 20 1 1 A 84 84 LEU C C 84 176.699 176.386 0.313 1
1 1031 . 20 1 1 A 84 84 LEU CA C 84 53.829 53.681 0.148 1
1 1032 . 20 1 1 A 84 84 LEU CB C 84 45.366 44.641 0.725 1
1 1036 . 20 1 1 A 84 84 LEU N N 84 125.218 125.876 -0.658 1
1 1037 . 20 1 1 A 85 85 TYR H H 85 9.058 9.002 0.056 1
1 1038 . 20 1 1 A 85 85 TYR HA H 85 4.508 4.793 -0.285 1
1 1045 . 20 1 1 A 85 85 TYR C C 85 173.624 174.773 -1.149 1
1 1046 . 20 1 1 A 85 85 TYR CA C 85 60.034 57.479 2.555 1
1 1047 . 20 1 1 A 85 85 TYR CB C 85 36.073 38.900 -2.827 1
1 1052 . 20 1 1 A 85 85 TYR N N 85 131.339 123.586 7.753 1
1 1053 . 20 1 1 A 86 86 ARG H H 86 7.432 7.519 -0.087 1
1 1054 . 20 1 1 A 86 86 ARG HA H 86 4.682 4.878 -0.196 1
1 1062 . 20 1 1 A 86 86 ARG C C 86 171.917 173.541 -1.624 1
1 1063 . 20 1 1 A 86 86 ARG CA C 86 54.953 52.950 2.003 1
1 1064 . 20 1 1 A 86 86 ARG CB C 86 28.209 32.682 -4.473 1
1 1067 . 20 1 1 A 86 86 ARG N N 86 114.399 118.953 -4.554 1
1 1069 . 20 1 1 A 87 87 PRO HA H 87 4.303 4.457 -0.154 1
1 1076 . 20 1 1 A 87 87 PRO C C 87 175.771 176.253 -0.482 1
1 1077 . 20 1 1 A 87 87 PRO CA C 87 63.497 63.208 0.289 1
1 1078 . 20 1 1 A 87 87 PRO CB C 87 32.253 32.049 0.204 1
1 1081 . 20 1 1 A 88 88 LEU H H 88 8.095 8.256 -0.161 1
1 1082 . 20 1 1 A 88 88 LEU HA H 88 4.286 4.689 -0.403 1
1 1092 . 20 1 1 A 88 88 LEU C C 88 175.946 175.832 0.114 1
1 1093 . 20 1 1 A 88 88 LEU CA C 88 53.675 54.599 -0.924 1
1 1094 . 20 1 1 A 88 88 LEU CB C 88 45.548 43.032 2.516 1
1 1098 . 20 1 1 A 88 88 LEU N N 88 125.942 123.211 2.731 1
1 1099 . 20 1 1 A 89 89 LEU H H 89 9.224 8.715 0.509 1
1 1100 . 20 1 1 A 89 89 LEU HA H 89 4.561 4.319 0.242 1
1 1110 . 20 1 1 A 89 89 LEU C C 89 179.295 177.381 1.914 1
1 1111 . 20 1 1 A 89 89 LEU CA C 89 55.212 55.968 -0.756 1
1 1112 . 20 1 1 A 89 89 LEU CB C 89 41.460 41.863 -0.403 1
1 1116 . 20 1 1 A 89 89 LEU N N 89 128.295 128.563 -0.268 1
1 1117 . 20 1 1 A 90 90 VAL H H 90 7.665 8.815 -1.150 1
1 1118 . 20 1 1 A 90 90 VAL HA H 90 3.785 3.852 -0.067 1
1 1126 . 20 1 1 A 90 90 VAL C C 90 178.510 177.714 0.796 1
1 1127 . 20 1 1 A 90 90 VAL CA C 90 66.833 66.463 0.370 1
1 1128 . 20 1 1 A 90 90 VAL CB C 90 31.330 31.640 -0.310 1
1 1131 . 20 1 1 A 90 90 VAL N N 90 122.696 124.093 -1.397 1
1 1132 . 20 1 1 A 91 91 SER H H 91 8.134 8.204 -0.070 1
1 1133 . 20 1 1 A 91 91 SER HA H 91 4.280 4.408 -0.128 1
1 1136 . 20 1 1 A 91 91 SER C C 91 175.328 175.708 -0.380 1
1 1137 . 20 1 1 A 91 91 SER CA C 91 59.822 60.252 -0.430 1
1 1138 . 20 1 1 A 91 91 SER CB C 91 62.512 62.647 -0.135 1
1 1139 . 20 1 1 A 91 91 SER N N 91 112.443 115.627 -3.184 1
1 1140 . 20 1 1 A 92 92 GLU H H 92 7.598 8.068 -0.470 1
1 1141 . 20 1 1 A 92 92 GLU HA H 92 4.221 4.441 -0.220 1
1 1146 . 20 1 1 A 92 92 GLU C C 92 175.722 176.962 -1.240 1
1 1147 . 20 1 1 A 92 92 GLU CA C 92 56.594 57.487 -0.893 1
1 1148 . 20 1 1 A 92 92 GLU CB C 92 29.511 30.136 -0.625 1
1 1150 . 20 1 1 A 92 92 GLU N N 92 120.359 120.735 -0.376 1
1 1151 . 20 1 1 A 93 93 VAL H H 93 7.486 7.337 0.149 1
1 1152 . 20 1 1 A 93 93 VAL HA H 93 4.046 4.038 0.008 1
1 1160 . 20 1 1 A 93 93 VAL C C 93 176.093 176.194 -0.101 1
1 1161 . 20 1 1 A 93 93 VAL CA C 93 63.242 63.484 -0.242 1
1 1162 . 20 1 1 A 93 93 VAL CB C 93 32.306 32.007 0.299 1
1 1165 . 20 1 1 A 93 93 VAL N N 93 121.222 120.532 0.690 1
1 1166 . 20 1 1 A 94 94 THR H H 94 9.003 8.518 0.485 1
1 1167 . 20 1 1 A 94 94 THR HA H 94 4.264 4.115 0.149 1
1 1172 . 20 1 1 A 94 94 THR C C 94 174.664 174.757 -0.093 1
1 1173 . 20 1 1 A 94 94 THR CA C 94 64.438 64.680 -0.242 1
1 1174 . 20 1 1 A 94 94 THR CB C 94 69.317 69.100 0.217 1
1 1176 . 20 1 1 A 94 94 THR N N 94 124.794 121.845 2.949 1
1 1177 . 20 1 1 A 95 95 ARG H H 95 7.514 7.351 0.163 1
1 1178 . 20 1 1 A 95 95 ARG HA H 95 4.646 4.689 -0.043 1
1 1186 . 20 1 1 A 95 95 ARG C C 95 172.989 173.929 -0.940 1
1 1187 . 20 1 1 A 95 95 ARG CA C 95 55.872 55.532 0.340 1
1 1188 . 20 1 1 A 95 95 ARG CB C 95 33.789 33.805 -0.016 1
1 1191 . 20 1 1 A 95 95 ARG N N 95 118.660 118.155 0.505 1
1 1193 . 20 1 1 A 96 96 GLU H H 96 8.545 8.634 -0.089 1
1 1194 . 20 1 1 A 96 96 GLU HA H 96 5.329 4.487 0.842 1
1 1199 . 20 1 1 A 96 96 GLU C C 96 174.480 174.472 0.008 1
1 1200 . 20 1 1 A 96 96 GLU CA C 96 53.415 55.697 -2.282 1
1 1201 . 20 1 1 A 96 96 GLU CB C 96 33.592 29.153 4.439 1
1 1203 . 20 1 1 A 96 96 GLU N N 96 121.828 124.014 -2.186 1
1 1204 . 20 1 1 A 97 97 ALA H H 97 8.276 8.678 -0.402 1
1 1205 . 20 1 1 A 97 97 ALA HA H 97 4.537 4.226 0.311 1
1 1209 . 20 1 1 A 97 97 ALA C C 97 175.233 176.276 -1.043 1
1 1210 . 20 1 1 A 97 97 ALA CA C 97 51.368 51.715 -0.347 1
1 1211 . 20 1 1 A 97 97 ALA CB C 97 22.101 18.114 3.987 1
1 1212 . 20 1 1 A 97 97 ALA N N 97 123.211 128.675 -5.464 1
1 1213 . 20 1 1 A 98 98 ASP H H 98 8.399 8.645 -0.246 1
1 1214 . 20 1 1 A 98 98 ASP HA H 98 4.850 4.612 0.238 1
1 1217 . 20 1 1 A 98 98 ASP C C 98 176.085 175.688 0.397 1
1 1218 . 20 1 1 A 98 98 ASP CA C 98 54.824 54.525 0.299 1
1 1219 . 20 1 1 A 98 98 ASP CB C 98 41.694 41.779 -0.085 1
1 1220 . 20 1 1 A 98 98 ASP N N 98 122.093 125.321 -3.228 1
1 1221 . 20 1 1 A 99 99 LEU H H 99 7.854 8.314 -0.460 1
1 1222 . 20 1 1 A 99 99 LEU HA H 99 4.766 4.885 -0.119 1
1 1232 . 20 1 1 A 99 99 LEU C C 99 176.250 174.504 1.746 1
1 1233 . 20 1 1 A 99 99 LEU CA C 99 53.544 53.156 0.388 1
1 1234 . 20 1 1 A 99 99 LEU CB C 99 44.229 45.890 -1.661 1
1 1238 . 20 1 1 A 99 99 LEU N N 99 120.272 120.546 -0.274 1
1 1239 . 20 1 1 A 100 100 ASP H H 100 9.215 8.463 0.752 1
1 1240 . 20 1 1 A 100 100 ASP HA H 100 4.935 4.944 -0.009 1
1 1243 . 20 1 1 A 100 100 ASP C C 100 174.956 176.424 -1.468 1
1 1244 . 20 1 1 A 100 100 ASP CA C 100 52.684 53.811 -1.127 1
1 1245 . 20 1 1 A 100 100 ASP CB C 100 43.362 41.990 1.372 1
1 1246 . 20 1 1 A 100 100 ASP N N 100 123.325 120.951 2.374 1
1 1247 . 20 1 1 A 101 101 LEU H H 101 8.526 8.625 -0.099 1
1 1248 . 20 1 1 A 101 101 LEU HA H 101 4.639 4.259 0.380 1
1 1258 . 20 1 1 A 101 101 LEU C C 101 178.204 176.442 1.762 1
1 1259 . 20 1 1 A 101 101 LEU CA C 101 53.490 54.859 -1.369 1
1 1260 . 20 1 1 A 101 101 LEU CB C 101 44.374 42.313 2.061 1
1 1264 . 20 1 1 A 101 101 LEU N N 101 118.539 123.255 -4.716 1
1 1265 . 20 1 1 A 102 102 ASP H H 102 8.029 8.274 -0.245 1
1 1266 . 20 1 1 A 102 102 ASP HA H 102 4.615 4.593 0.022 1
1 1269 . 20 1 1 A 102 102 ASP C C 102 178.176 177.494 0.682 1
1 1270 . 20 1 1 A 102 102 ASP CA C 102 52.297 54.100 -1.803 1
1 1271 . 20 1 1 A 102 102 ASP CB C 102 41.108 42.354 -1.246 1
1 1272 . 20 1 1 A 102 102 ASP N N 102 121.008 123.927 -2.919 1
1 1273 . 20 1 1 A 103 103 ALA H H 103 8.384 8.905 -0.521 1
1 1274 . 20 1 1 A 103 103 ALA HA H 103 4.099 3.964 0.135 1
1 1278 . 20 1 1 A 103 103 ALA C C 103 178.527 178.369 0.158 1
1 1279 . 20 1 1 A 103 103 ALA CA C 103 54.648 55.014 -0.366 1
1 1280 . 20 1 1 A 103 103 ALA CB C 103 18.604 18.318 0.286 1
1 1281 . 20 1 1 A 103 103 ALA N N 103 120.139 127.071 -6.932 1
1 1282 . 20 1 1 A 104 104 ASP H H 104 8.033 7.798 0.235 1
1 1283 . 20 1 1 A 104 104 ASP HA H 104 4.811 4.737 0.074 1
1 1286 . 20 1 1 A 104 104 ASP C C 104 176.113 176.365 -0.252 1
1 1287 . 20 1 1 A 104 104 ASP CA C 104 54.077 54.023 0.054 1
1 1288 . 20 1 1 A 104 104 ASP CB C 104 41.899 41.370 0.529 1
1 1289 . 20 1 1 A 104 104 ASP N N 104 116.590 116.161 0.429 1
1 1290 . 20 1 1 A 105 105 GLY H H 105 8.196 8.206 -0.010 1
1 1291 . 20 1 1 A 105 105 GLY HA2 H 105 4.293 3.928 0.365 1
1 1292 . 20 1 1 A 105 105 GLY HA3 H 105 3.657 3.931 -0.274 1
1 1293 . 20 1 1 A 105 105 GLY C C 105 173.635 174.467 -0.832 1
1 1294 . 20 1 1 A 105 105 GLY CA C 105 45.741 46.161 -0.420 1
1 1295 . 20 1 1 A 105 105 GLY N N 105 107.882 107.984 -0.102 1
1 1296 . 20 1 1 A 106 106 VAL H H 106 8.886 7.843 1.043 1
1 1297 . 20 1 1 A 106 106 VAL HA H 106 4.082 4.336 -0.254 1
1 1305 . 20 1 1 A 106 106 VAL C C 106 175.529 175.122 0.407 1
1 1306 . 20 1 1 A 106 106 VAL CA C 106 61.360 59.026 2.334 1
1 1307 . 20 1 1 A 106 106 VAL CB C 106 32.373 33.058 -0.685 1
1 1310 . 20 1 1 A 106 106 VAL N N 106 125.585 121.028 4.557 1
1 1311 . 20 1 1 A 107 107 PRO HA H 107 4.737 4.725 0.012 1
1 1318 . 20 1 1 A 107 107 PRO C C 107 176.029 176.513 -0.484 1
1 1319 . 20 1 1 A 107 107 PRO CA C 107 62.674 62.190 0.484 1
1 1320 . 20 1 1 A 107 107 PRO CB C 107 31.789 29.298 2.491 1
1 1323 . 20 1 1 A 108 108 GLN H H 108 8.563 7.925 0.638 1
1 1324 . 20 1 1 A 108 108 GLN HA H 108 4.498 4.426 0.072 1
1 1331 . 20 1 1 A 108 108 GLN C C 108 176.218 175.684 0.534 1
1 1332 . 20 1 1 A 108 108 GLN CA C 108 54.901 55.775 -0.874 1
1 1333 . 20 1 1 A 108 108 GLN CB C 108 29.514 28.728 0.786 1
1 1336 . 20 1 1 A 108 108 GLN N N 108 122.641 119.514 3.127 1
1 1338 . 20 1 1 A 109 109 LEU H H 109 8.853 8.539 0.314 1
1 1339 . 20 1 1 A 109 109 LEU HA H 109 4.330 4.184 0.146 1
1 1349 . 20 1 1 A 109 109 LEU C C 109 178.151 179.134 -0.983 1
1 1350 . 20 1 1 A 109 109 LEU CA C 109 56.522 57.648 -1.126 1
1 1351 . 20 1 1 A 109 109 LEU CB C 109 41.883 41.783 0.100 1
1 1355 . 20 1 1 A 109 109 LEU N N 109 125.974 124.553 1.421 1
1 1356 . 20 1 1 A 110 110 GLY H H 110 8.809 8.348 0.461 1
1 1357 . 20 1 1 A 110 110 GLY HA2 H 110 3.952 3.780 0.172 1
1 1358 . 20 1 1 A 110 110 GLY HA3 H 110 3.551 3.781 -0.230 1
1 1359 . 20 1 1 A 110 110 GLY C C 110 176.002 175.365 0.637 1
1 1360 . 20 1 1 A 110 110 GLY CA C 110 48.748 47.542 1.206 1
1 1361 . 20 1 1 A 110 110 GLY N N 110 109.442 106.233 3.209 1
1 1362 . 20 1 1 A 111 111 ASP H H 111 8.674 8.325 0.349 1
1 1363 . 20 1 1 A 111 111 ASP HA H 111 4.317 4.376 -0.059 1
1 1366 . 20 1 1 A 111 111 ASP C C 111 177.159 178.416 -1.257 1
1 1367 . 20 1 1 A 111 111 ASP CA C 111 56.239 57.048 -0.809 1
1 1368 . 20 1 1 A 111 111 ASP CB C 111 39.791 41.008 -1.217 1
1 1369 . 20 1 1 A 111 111 ASP N N 111 119.503 121.945 -2.442 1
1 1370 . 20 1 1 A 112 112 HIS H H 112 7.471 7.773 -0.302 1
1 1371 . 20 1 1 A 112 112 HIS HA H 112 4.481 4.170 0.311 1
1 1376 . 20 1 1 A 112 112 HIS C C 112 177.121 176.537 0.584 1
1 1377 . 20 1 1 A 112 112 HIS CA C 112 56.692 58.487 -1.795 1
1 1378 . 20 1 1 A 112 112 HIS CB C 112 31.648 30.150 1.498 1
1 1381 . 20 1 1 A 112 112 HIS N N 112 116.681 118.983 -2.302 1
1 1382 . 20 1 1 A 113 113 LEU H H 113 7.526 7.976 -0.450 1
1 1383 . 20 1 1 A 113 113 LEU HA H 113 4.148 4.067 0.081 1
1 1393 . 20 1 1 A 113 113 LEU C C 113 177.363 177.231 0.132 1
1 1394 . 20 1 1 A 113 113 LEU CA C 113 55.509 56.424 -0.915 1
1 1395 . 20 1 1 A 113 113 LEU CB C 113 42.009 42.266 -0.257 1
1 1399 . 20 1 1 A 113 113 LEU N N 113 118.976 119.100 -0.124 1
1 1400 . 20 1 1 A 114 114 ALA H H 114 7.648 7.992 -0.344 1
1 1401 . 20 1 1 A 114 114 ALA HA H 114 4.227 3.976 0.251 1
1 1405 . 20 1 1 A 114 114 ALA C C 114 177.692 176.705 0.987 1
1 1406 . 20 1 1 A 114 114 ALA CA C 114 52.828 54.365 -1.537 1
1 1407 . 20 1 1 A 114 114 ALA CB C 114 18.497 17.338 1.159 1
1 1408 . 20 1 1 A 114 114 ALA N N 114 121.893 120.735 1.158 1
1 1409 . 20 1 1 A 115 115 LEU H H 115 7.764 8.638 -0.874 1
1 1410 . 20 1 1 A 115 115 LEU HA H 115 4.146 3.897 0.249 1
1 1420 . 20 1 1 A 115 115 LEU C C 115 177.819 175.386 2.433 1
1 1421 . 20 1 1 A 115 115 LEU CA C 115 55.771 56.334 -0.563 1
1 1422 . 20 1 1 A 115 115 LEU CB C 115 42.000 40.372 1.628 1
1 1426 . 20 1 1 A 115 115 LEU N N 115 119.576 115.143 4.433 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 113 1.221 1
2 1 1 1 "RMS(OBS, PRED)" CA 113 1.442 1
3 1 1 1 "RMS(OBS, PRED)" CB 104 1.335 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.613 1
5 1 1 1 "RMS(OBS, PRED)" HA 122 0.273 1
6 1 1 1 "RMS(OBS, PRED)" N 106 2.952 1
7 1 2 1 "RMS(OBS, PRED)" C 113 1.213 1
8 1 2 1 "RMS(OBS, PRED)" CA 113 1.531 1
9 1 2 1 "RMS(OBS, PRED)" CB 104 1.502 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.640 1
11 1 2 1 "RMS(OBS, PRED)" HA 122 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 106 3.029 1
13 1 3 1 "RMS(OBS, PRED)" C 113 1.235 1
14 1 3 1 "RMS(OBS, PRED)" CA 113 1.570 1
15 1 3 1 "RMS(OBS, PRED)" CB 104 1.445 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.560 1
17 1 3 1 "RMS(OBS, PRED)" HA 122 0.315 1
18 1 3 1 "RMS(OBS, PRED)" N 106 2.976 1
19 1 4 1 "RMS(OBS, PRED)" C 113 1.196 1
20 1 4 1 "RMS(OBS, PRED)" CA 113 1.332 1
21 1 4 1 "RMS(OBS, PRED)" CB 104 1.501 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.605 1
23 1 4 1 "RMS(OBS, PRED)" HA 122 0.303 1
24 1 4 1 "RMS(OBS, PRED)" N 106 3.078 1
25 1 5 1 "RMS(OBS, PRED)" C 113 1.269 1
26 1 5 1 "RMS(OBS, PRED)" CA 113 1.428 1
27 1 5 1 "RMS(OBS, PRED)" CB 104 1.545 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.572 1
29 1 5 1 "RMS(OBS, PRED)" HA 122 0.319 1
30 1 5 1 "RMS(OBS, PRED)" N 106 3.017 1
31 1 6 1 "RMS(OBS, PRED)" C 113 1.219 1
32 1 6 1 "RMS(OBS, PRED)" CA 113 1.355 1
33 1 6 1 "RMS(OBS, PRED)" CB 104 1.532 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.534 1
35 1 6 1 "RMS(OBS, PRED)" HA 122 0.299 1
36 1 6 1 "RMS(OBS, PRED)" N 106 3.192 1
37 1 7 1 "RMS(OBS, PRED)" C 113 1.199 1
38 1 7 1 "RMS(OBS, PRED)" CA 113 1.337 1
39 1 7 1 "RMS(OBS, PRED)" CB 104 1.521 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.624 1
41 1 7 1 "RMS(OBS, PRED)" HA 122 0.330 1
42 1 7 1 "RMS(OBS, PRED)" N 106 2.947 1
43 1 8 1 "RMS(OBS, PRED)" C 113 1.212 1
44 1 8 1 "RMS(OBS, PRED)" CA 113 1.435 1
45 1 8 1 "RMS(OBS, PRED)" CB 104 1.460 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.611 1
47 1 8 1 "RMS(OBS, PRED)" HA 122 0.295 1
48 1 8 1 "RMS(OBS, PRED)" N 106 2.906 1
49 1 9 1 "RMS(OBS, PRED)" C 113 1.291 1
50 1 9 1 "RMS(OBS, PRED)" CA 113 1.424 1
51 1 9 1 "RMS(OBS, PRED)" CB 104 1.471 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.600 1
53 1 9 1 "RMS(OBS, PRED)" HA 122 0.327 1
54 1 9 1 "RMS(OBS, PRED)" N 106 3.011 1
55 1 10 1 "RMS(OBS, PRED)" C 113 1.244 1
56 1 10 1 "RMS(OBS, PRED)" CA 113 1.211 1
57 1 10 1 "RMS(OBS, PRED)" CB 104 1.462 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.633 1
59 1 10 1 "RMS(OBS, PRED)" HA 122 0.309 1
60 1 10 1 "RMS(OBS, PRED)" N 106 3.089 1
61 1 11 1 "RMS(OBS, PRED)" C 113 1.278 1
62 1 11 1 "RMS(OBS, PRED)" CA 113 1.214 1
63 1 11 1 "RMS(OBS, PRED)" CB 104 1.507 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.612 1
65 1 11 1 "RMS(OBS, PRED)" HA 122 0.303 1
66 1 11 1 "RMS(OBS, PRED)" N 106 3.192 1
67 1 12 1 "RMS(OBS, PRED)" C 113 1.251 1
68 1 12 1 "RMS(OBS, PRED)" CA 113 1.391 1
69 1 12 1 "RMS(OBS, PRED)" CB 104 1.580 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.615 1
71 1 12 1 "RMS(OBS, PRED)" HA 122 0.293 1
72 1 12 1 "RMS(OBS, PRED)" N 106 3.019 1
73 1 13 1 "RMS(OBS, PRED)" C 113 1.248 1
74 1 13 1 "RMS(OBS, PRED)" CA 113 1.394 1
75 1 13 1 "RMS(OBS, PRED)" CB 104 1.482 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.658 1
77 1 13 1 "RMS(OBS, PRED)" HA 122 0.328 1
78 1 13 1 "RMS(OBS, PRED)" N 106 3.309 1
79 1 14 1 "RMS(OBS, PRED)" C 113 1.293 1
80 1 14 1 "RMS(OBS, PRED)" CA 113 1.475 1
81 1 14 1 "RMS(OBS, PRED)" CB 104 1.612 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.547 1
83 1 14 1 "RMS(OBS, PRED)" HA 122 0.309 1
84 1 14 1 "RMS(OBS, PRED)" N 106 2.840 1
85 1 15 1 "RMS(OBS, PRED)" C 113 1.135 1
86 1 15 1 "RMS(OBS, PRED)" CA 113 1.264 1
87 1 15 1 "RMS(OBS, PRED)" CB 104 1.604 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.644 1
89 1 15 1 "RMS(OBS, PRED)" HA 122 0.296 1
90 1 15 1 "RMS(OBS, PRED)" N 106 2.968 1
91 1 16 1 "RMS(OBS, PRED)" C 113 1.271 1
92 1 16 1 "RMS(OBS, PRED)" CA 113 1.438 1
93 1 16 1 "RMS(OBS, PRED)" CB 104 1.543 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.619 1
95 1 16 1 "RMS(OBS, PRED)" HA 122 0.297 1
96 1 16 1 "RMS(OBS, PRED)" N 106 3.393 1
97 1 17 1 "RMS(OBS, PRED)" C 113 1.398 1
98 1 17 1 "RMS(OBS, PRED)" CA 113 1.329 1
99 1 17 1 "RMS(OBS, PRED)" CB 104 1.421 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.652 1
101 1 17 1 "RMS(OBS, PRED)" HA 122 0.308 1
102 1 17 1 "RMS(OBS, PRED)" N 106 3.210 1
103 1 18 1 "RMS(OBS, PRED)" C 113 1.254 1
104 1 18 1 "RMS(OBS, PRED)" CA 113 1.293 1
105 1 18 1 "RMS(OBS, PRED)" CB 104 1.563 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.665 1
107 1 18 1 "RMS(OBS, PRED)" HA 122 0.320 1
108 1 18 1 "RMS(OBS, PRED)" N 106 3.479 1
109 1 19 1 "RMS(OBS, PRED)" C 113 1.161 1
110 1 19 1 "RMS(OBS, PRED)" CA 113 1.342 1
111 1 19 1 "RMS(OBS, PRED)" CB 104 1.514 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.644 1
113 1 19 1 "RMS(OBS, PRED)" HA 122 0.322 1
114 1 19 1 "RMS(OBS, PRED)" N 106 3.163 1
115 1 20 1 "RMS(OBS, PRED)" C 113 1.228 1
116 1 20 1 "RMS(OBS, PRED)" CA 113 1.269 1
117 1 20 1 "RMS(OBS, PRED)" CB 104 1.596 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.697 1
119 1 20 1 "RMS(OBS, PRED)" HA 122 0.310 1
120 1 20 1 "RMS(OBS, PRED)" N 106 3.267 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 12 . 1 1 A 2 2 THR HA H 2 3.833 4.566 -0.733 2
1 17 . 1 1 A 2 2 THR C C 2 170.665 173.451 -2.786 2
1 18 . 1 1 A 2 2 THR CA C 2 62.154 62.009 0.145 2
1 19 . 1 1 A 2 2 THR CB C 2 69.580 69.361 0.220 2
1 21 . 1 1 A 3 3 LEU H H 3 9.068 8.638 0.430 2
1 22 . 1 1 A 3 3 LEU HA H 3 4.887 4.845 0.042 2
1 32 . 1 1 A 3 3 LEU C C 3 175.859 176.139 -0.280 2
1 33 . 1 1 A 3 3 LEU CA C 3 54.426 53.738 0.688 2
1 34 . 1 1 A 3 3 LEU CB C 3 43.222 43.164 0.058 2
1 38 . 1 1 A 3 3 LEU N N 3 129.030 124.919 4.111 2
1 39 . 1 1 A 4 4 ILE H H 4 8.897 8.905 -0.008 2
1 40 . 1 1 A 4 4 ILE HA H 4 4.753 4.949 -0.196 2
1 50 . 1 1 A 4 4 ILE C C 4 174.211 174.196 0.015 2
1 51 . 1 1 A 4 4 ILE CA C 4 59.998 59.410 0.588 2
1 52 . 1 1 A 4 4 ILE CB C 4 41.129 39.978 1.151 2
1 56 . 1 1 A 4 4 ILE N N 4 115.702 121.627 -5.925 2
1 57 . 1 1 A 5 5 TYR H H 5 9.050 9.198 -0.148 2
1 58 . 1 1 A 5 5 TYR HA H 5 5.770 5.538 0.232 2
1 65 . 1 1 A 5 5 TYR C C 5 175.987 174.454 1.533 2
1 66 . 1 1 A 5 5 TYR CA C 5 57.923 56.258 1.665 2
1 67 . 1 1 A 5 5 TYR CB C 5 42.963 42.224 0.739 2
1 72 . 1 1 A 5 5 TYR N N 5 114.414 122.828 -8.414 2
1 73 . 1 1 A 6 6 LYS H H 6 8.858 8.577 0.281 2
1 74 . 1 1 A 6 6 LYS HA H 6 4.813 4.848 -0.035 2
1 83 . 1 1 A 6 6 LYS C C 6 172.801 174.615 -1.814 2
1 84 . 1 1 A 6 6 LYS CA C 6 52.969 55.002 -2.033 2
1 85 . 1 1 A 6 6 LYS CB C 6 37.109 35.733 1.376 2
1 89 . 1 1 A 6 6 LYS N N 6 121.597 122.682 -1.085 2
1 90 . 1 1 A 7 7 ILE H H 7 8.277 8.740 -0.463 2
1 91 . 1 1 A 7 7 ILE HA H 7 4.702 4.788 -0.086 2
1 101 . 1 1 A 7 7 ILE C C 7 173.742 174.678 -0.936 2
1 102 . 1 1 A 7 7 ILE CA C 7 60.340 59.952 0.388 2
1 103 . 1 1 A 7 7 ILE CB C 7 38.941 38.614 0.327 2
1 107 . 1 1 A 7 7 ILE N N 7 128.212 127.866 0.346 2
1 108 . 1 1 A 8 8 LEU H H 8 8.627 8.476 0.151 2
1 109 . 1 1 A 8 8 LEU HA H 8 4.757 4.833 -0.076 2
1 119 . 1 1 A 8 8 LEU C C 8 173.661 175.233 -1.572 2
1 120 . 1 1 A 8 8 LEU CA C 8 54.530 53.541 0.989 2
1 121 . 1 1 A 8 8 LEU CB C 8 43.617 45.010 -1.393 2
1 125 . 1 1 A 8 8 LEU N N 8 126.590 124.055 2.535 2
1 126 . 1 1 A 9 9 SER H H 9 8.546 8.762 -0.216 2
1 127 . 1 1 A 9 9 SER HA H 9 4.765 4.752 0.014 2
1 130 . 1 1 A 9 9 SER C C 9 175.160 175.450 -0.290 2
1 131 . 1 1 A 9 9 SER CA C 9 58.520 58.052 0.468 2
1 132 . 1 1 A 9 9 SER CB C 9 65.227 64.246 0.981 2
1 133 . 1 1 A 9 9 SER N N 9 115.543 116.106 -0.563 2
1 134 . 1 1 A 10 10 ARG H H 10 9.080 8.975 0.105 2
1 135 . 1 1 A 10 10 ARG HA H 10 4.037 4.054 -0.017 2
1 143 . 1 1 A 10 10 ARG C C 10 177.847 178.091 -0.244 2
1 144 . 1 1 A 10 10 ARG CA C 10 59.210 59.894 -0.684 2
1 145 . 1 1 A 10 10 ARG CB C 10 28.776 29.819 -1.043 2
1 148 . 1 1 A 10 10 ARG N N 10 123.688 124.136 -0.448 2
1 150 . 1 1 A 11 11 ALA H H 11 8.753 8.120 0.633 2
1 151 . 1 1 A 11 11 ALA HA H 11 4.248 4.097 0.151 2
1 155 . 1 1 A 11 11 ALA C C 11 181.848 179.855 1.993 2
1 156 . 1 1 A 11 11 ALA CA C 11 55.483 55.046 0.437 2
1 157 . 1 1 A 11 11 ALA CB C 11 18.209 18.373 -0.164 2
1 158 . 1 1 A 11 11 ALA N N 11 119.698 121.554 -1.856 2
1 159 . 1 1 A 12 12 GLU H H 12 7.957 7.890 0.067 2
1 160 . 1 1 A 12 12 GLU HA H 12 4.183 4.168 0.015 2
1 165 . 1 1 A 12 12 GLU C C 12 179.576 178.984 0.592 2
1 166 . 1 1 A 12 12 GLU CA C 12 59.103 59.139 -0.036 2
1 167 . 1 1 A 12 12 GLU CB C 12 31.077 29.690 1.387 2
1 169 . 1 1 A 12 12 GLU N N 12 118.210 118.214 -0.004 2
1 170 . 1 1 A 13 13 TRP H H 13 8.585 8.153 0.432 2
1 171 . 1 1 A 13 13 TRP HA H 13 4.937 4.176 0.760 2
1 180 . 1 1 A 13 13 TRP C C 13 176.827 178.045 -1.218 2
1 181 . 1 1 A 13 13 TRP CA C 13 57.845 60.850 -3.005 2
1 182 . 1 1 A 13 13 TRP CB C 13 31.010 29.493 1.517 2
1 188 . 1 1 A 13 13 TRP N N 13 123.646 122.308 1.338 2
1 190 . 1 1 A 14 14 ASP H H 14 9.260 8.568 0.693 2
1 191 . 1 1 A 14 14 ASP HA H 14 4.048 4.028 0.020 2
1 194 . 1 1 A 14 14 ASP C C 14 180.120 178.357 1.763 2
1 195 . 1 1 A 14 14 ASP CA C 14 57.767 57.261 0.506 2
1 196 . 1 1 A 14 14 ASP CB C 14 39.467 40.461 -0.994 2
1 197 . 1 1 A 14 14 ASP N N 14 120.253 118.833 1.420 2
1 198 . 1 1 A 15 15 ALA H H 15 7.599 7.946 -0.347 2
1 199 . 1 1 A 15 15 ALA HA H 15 4.163 4.061 0.102 2
1 203 . 1 1 A 15 15 ALA C C 15 180.115 179.760 0.355 2
1 204 . 1 1 A 15 15 ALA CA C 15 55.016 54.998 0.018 2
1 205 . 1 1 A 15 15 ALA CB C 15 17.871 18.225 -0.354 2
1 206 . 1 1 A 15 15 ALA N N 15 122.164 122.231 -0.067 2
1 207 . 1 1 A 16 16 ALA H H 16 7.944 8.041 -0.097 2
1 208 . 1 1 A 16 16 ALA HA H 16 4.334 4.096 0.238 2
1 212 . 1 1 A 16 16 ALA C C 16 180.101 179.724 0.377 2
1 213 . 1 1 A 16 16 ALA CA C 16 54.659 55.206 -0.547 2
1 214 . 1 1 A 16 16 ALA CB C 16 19.107 18.435 0.672 2
1 215 . 1 1 A 16 16 ALA N N 16 122.526 120.191 2.335 2
1 216 . 1 1 A 17 17 LYS H H 17 8.317 7.877 0.440 2
1 217 . 1 1 A 17 17 LYS HA H 17 3.462 3.740 -0.278 2
1 226 . 1 1 A 17 17 LYS C C 17 179.126 178.655 0.471 2
1 227 . 1 1 A 17 17 LYS CA C 17 60.077 58.903 1.174 2
1 228 . 1 1 A 17 17 LYS CB C 17 31.431 31.755 -0.324 2
1 232 . 1 1 A 17 17 LYS N N 17 117.572 117.497 0.075 2
1 233 . 1 1 A 18 18 ALA H H 18 7.296 7.986 -0.690 2
1 234 . 1 1 A 18 18 ALA HA H 18 4.100 3.998 0.102 2
1 238 . 1 1 A 18 18 ALA C C 18 178.940 179.319 -0.379 2
1 239 . 1 1 A 18 18 ALA CA C 18 54.513 54.847 -0.334 2
1 240 . 1 1 A 18 18 ALA CB C 18 18.132 18.219 -0.087 2
1 241 . 1 1 A 18 18 ALA N N 18 119.644 121.479 -1.835 2
1 242 . 1 1 A 19 19 GLN H H 19 7.443 7.645 -0.202 2
1 243 . 1 1 A 19 19 GLN HA H 19 4.535 4.245 0.290 2
1 250 . 1 1 A 19 19 GLN C C 19 176.607 176.721 -0.114 2
1 251 . 1 1 A 19 19 GLN CA C 19 55.755 55.740 0.015 2
1 252 . 1 1 A 19 19 GLN CB C 19 30.075 28.773 1.302 2
1 255 . 1 1 A 19 19 GLN N N 19 113.538 114.496 -0.958 2
1 257 . 1 1 A 20 20 GLY H H 20 8.277 9.011 -0.734 2
1 258 . 1 1 A 20 20 GLY HA2 H 20 4.450 3.833 0.617 2
1 259 . 1 1 A 20 20 GLY HA3 H 20 3.627 3.859 -0.232 2
1 260 . 1 1 A 20 20 GLY C C 20 174.006 173.502 0.504 2
1 261 . 1 1 A 20 20 GLY CA C 20 45.567 45.585 -0.018 2
1 262 . 1 1 A 20 20 GLY N N 20 108.233 109.746 -1.513 2
1 263 . 1 1 A 21 21 ARG H H 21 7.786 7.498 0.288 2
1 264 . 1 1 A 21 21 ARG HA H 21 5.123 4.942 0.181 2
1 272 . 1 1 A 21 21 ARG C C 21 171.553 174.160 -2.607 2
1 273 . 1 1 A 21 21 ARG CA C 21 54.882 54.522 0.360 2
1 274 . 1 1 A 21 21 ARG CB C 21 32.114 33.469 -1.355 2
1 277 . 1 1 A 21 21 ARG N N 21 116.837 118.583 -1.746 2
1 279 . 1 1 A 22 22 PHE H H 22 9.821 9.340 0.481 2
1 280 . 1 1 A 22 22 PHE HA H 22 5.185 5.081 0.104 2
1 285 . 1 1 A 22 22 PHE C C 22 173.825 174.924 -1.099 2
1 286 . 1 1 A 22 22 PHE CA C 22 54.913 56.715 -1.802 2
1 287 . 1 1 A 22 22 PHE CB C 22 41.568 41.047 0.521 2
1 290 . 1 1 A 22 22 PHE N N 22 121.680 124.796 -3.116 2
1 291 . 1 1 A 23 23 GLU H H 23 9.053 8.487 0.566 2
1 292 . 1 1 A 23 23 GLU HA H 23 3.893 4.323 -0.430 2
1 297 . 1 1 A 23 23 GLU C C 23 174.856 176.210 -1.354 2
1 298 . 1 1 A 23 23 GLU CA C 23 56.781 55.972 0.809 2
1 299 . 1 1 A 23 23 GLU CB C 23 29.990 29.977 0.013 2
1 301 . 1 1 A 23 23 GLU N N 23 125.059 125.552 -0.493 2
1 302 . 1 1 A 24 24 GLY HA2 H 24 4.212 3.652 0.560 2
1 303 . 1 1 A 24 24 GLY HA3 H 24 3.112 3.831 -0.719 2
1 304 . 1 1 A 24 24 GLY C C 24 173.311 173.056 0.255 2
1 305 . 1 1 A 24 24 GLY CA C 24 45.104 45.008 0.096 2
1 306 . 1 1 A 25 25 SER H H 25 9.877 8.198 1.679 2
1 307 . 1 1 A 25 25 SER HA H 25 4.884 4.623 0.261 2
1 310 . 1 1 A 25 25 SER C C 25 173.788 175.163 -1.375 2
1 311 . 1 1 A 25 25 SER CA C 25 57.549 57.283 0.266 2
1 312 . 1 1 A 25 25 SER CB C 25 65.383 64.987 0.396 2
1 313 . 1 1 A 25 25 SER N N 25 121.073 115.369 5.704 2
1 314 . 1 1 A 26 26 ALA H H 26 9.097 8.919 0.178 2
1 315 . 1 1 A 26 26 ALA HA H 26 3.964 3.974 -0.010 2
1 319 . 1 1 A 26 26 ALA C C 26 181.102 179.743 1.359 2
1 320 . 1 1 A 26 26 ALA CA C 26 56.670 55.476 1.194 2
1 321 . 1 1 A 26 26 ALA CB C 26 17.927 18.264 -0.337 2
1 322 . 1 1 A 26 26 ALA N N 26 123.398 125.296 -1.898 2
1 323 . 1 1 A 27 27 VAL H H 27 7.928 7.849 0.079 2
1 324 . 1 1 A 27 27 VAL HA H 27 3.593 3.513 0.080 2
1 332 . 1 1 A 27 27 VAL C C 27 176.628 177.568 -0.940 2
1 333 . 1 1 A 27 27 VAL CA C 27 65.257 66.374 -1.117 2
1 334 . 1 1 A 27 27 VAL CB C 27 31.688 31.499 0.189 2
1 337 . 1 1 A 27 27 VAL N N 27 117.697 117.873 -0.176 2
1 338 . 1 1 A 28 28 ASP H H 28 6.927 8.164 -1.236 2
1 339 . 1 1 A 28 28 ASP HA H 28 4.512 4.431 0.081 2
1 342 . 1 1 A 28 28 ASP C C 28 178.402 178.868 -0.466 2
1 343 . 1 1 A 28 28 ASP CA C 28 56.586 57.279 -0.693 2
1 344 . 1 1 A 28 28 ASP CB C 28 41.317 40.653 0.664 2
1 345 . 1 1 A 28 28 ASP N N 28 121.516 120.851 0.665 2
1 346 . 1 1 A 29 29 LEU H H 29 8.309 8.201 0.108 2
1 347 . 1 1 A 29 29 LEU HA H 29 3.764 3.967 -0.203 2
1 357 . 1 1 A 29 29 LEU C C 29 180.093 179.183 0.910 2
1 358 . 1 1 A 29 29 LEU CA C 29 57.091 57.542 -0.451 2
1 359 . 1 1 A 29 29 LEU CB C 29 41.418 40.991 0.427 2
1 363 . 1 1 A 29 29 LEU N N 29 118.648 120.315 -1.667 2
1 364 . 1 1 A 30 30 ALA H H 30 7.458 7.987 -0.529 2
1 365 . 1 1 A 30 30 ALA HA H 30 4.000 3.986 0.014 2
1 369 . 1 1 A 30 30 ALA C C 30 179.371 179.306 0.065 2
1 370 . 1 1 A 30 30 ALA CA C 30 54.526 55.289 -0.763 2
1 371 . 1 1 A 30 30 ALA CB C 30 18.102 18.075 0.027 2
1 372 . 1 1 A 30 30 ALA N N 30 120.814 122.011 -1.198 2
1 373 . 1 1 A 31 31 ASP H H 31 7.682 7.830 -0.148 2
1 374 . 1 1 A 31 31 ASP HA H 31 4.410 4.463 -0.053 2
1 377 . 1 1 A 31 31 ASP C C 31 176.610 176.249 0.361 2
1 378 . 1 1 A 31 31 ASP CA C 31 55.271 54.781 0.490 2
1 379 . 1 1 A 31 31 ASP CB C 31 40.083 41.230 -1.147 2
1 380 . 1 1 A 31 31 ASP N N 31 117.191 116.158 1.033 2
1 381 . 1 1 A 32 32 GLY H H 32 7.909 8.138 -0.229 2
1 382 . 1 1 A 32 32 GLY HA2 H 32 4.090 3.773 0.317 2
1 383 . 1 1 A 32 32 GLY HA3 H 32 3.597 3.891 -0.294 2
1 384 . 1 1 A 32 32 GLY C C 32 173.168 173.523 -0.355 2
1 385 . 1 1 A 32 32 GLY CA C 32 45.112 45.205 -0.093 2
1 386 . 1 1 A 32 32 GLY N N 32 106.983 106.881 0.102 2
1 387 . 1 1 A 33 33 PHE H H 33 7.233 7.516 -0.283 2
1 388 . 1 1 A 33 33 PHE HA H 33 4.212 4.828 -0.616 2
1 396 . 1 1 A 33 33 PHE C C 33 171.389 174.479 -3.090 2
1 397 . 1 1 A 33 33 PHE CA C 33 55.383 56.804 -1.421 2
1 398 . 1 1 A 33 33 PHE CB C 33 37.177 40.787 -3.610 2
1 404 . 1 1 A 33 33 PHE N N 33 115.364 116.400 -1.036 2
1 405 . 1 1 A 34 34 ILE H H 34 8.637 8.516 0.121 2
1 406 . 1 1 A 34 34 ILE HA H 34 3.817 4.075 -0.258 2
1 416 . 1 1 A 34 34 ILE C C 34 177.018 175.836 1.182 2
1 417 . 1 1 A 34 34 ILE CA C 34 60.724 62.312 -1.588 2
1 418 . 1 1 A 34 34 ILE CB C 34 39.266 37.582 1.684 2
1 422 . 1 1 A 34 34 ILE N N 34 114.086 122.696 -8.610 2
1 423 . 1 1 A 35 35 HIS H H 35 9.203 8.578 0.625 2
1 424 . 1 1 A 35 35 HIS HA H 35 4.448 5.089 -0.641 2
1 428 . 1 1 A 35 35 HIS C C 35 175.740 174.659 1.081 2
1 429 . 1 1 A 35 35 HIS CA C 35 57.757 54.940 2.817 2
1 430 . 1 1 A 35 35 HIS CB C 35 29.758 30.786 -1.028 2
1 432 . 1 1 A 35 35 HIS N N 35 127.988 124.891 3.097 2
1 433 . 1 1 A 36 36 LEU H H 36 8.454 8.946 -0.492 2
1 434 . 1 1 A 36 36 LEU HA H 36 5.190 4.664 0.526 2
1 444 . 1 1 A 36 36 LEU C C 36 174.813 176.156 -1.343 2
1 445 . 1 1 A 36 36 LEU CA C 36 56.019 54.289 1.730 2
1 446 . 1 1 A 36 36 LEU CB C 36 44.541 43.241 1.300 2
1 450 . 1 1 A 36 36 LEU N N 36 126.075 125.446 0.629 2
1 451 . 1 1 A 37 37 SER H H 37 9.128 8.488 0.640 2
1 452 . 1 1 A 37 37 SER HA H 37 5.277 4.976 0.301 2
1 455 . 1 1 A 37 37 SER C C 37 174.433 173.443 0.990 2
1 456 . 1 1 A 37 37 SER CA C 37 57.990 58.265 -0.275 2
1 457 . 1 1 A 37 37 SER CB C 37 66.778 65.092 1.686 2
1 458 . 1 1 A 37 37 SER N N 37 112.795 114.942 -2.147 2
1 459 . 1 1 A 38 38 ALA H H 38 9.665 8.623 1.042 2
1 460 . 1 1 A 38 38 ALA HA H 38 4.973 4.783 0.190 2
1 464 . 1 1 A 38 38 ALA C C 38 179.640 178.371 1.269 2
1 465 . 1 1 A 38 38 ALA CA C 38 52.303 51.697 0.606 2
1 466 . 1 1 A 38 38 ALA CB C 38 19.350 20.383 -1.033 2
1 467 . 1 1 A 38 38 ALA N N 38 127.103 126.082 1.021 2
1 468 . 1 1 A 39 39 GLY H H 39 10.159 8.892 1.267 2
1 469 . 1 1 A 39 39 GLY HA2 H 39 4.249 3.653 0.596 2
1 470 . 1 1 A 39 39 GLY HA3 H 39 3.720 3.838 -0.118 2
1 471 . 1 1 A 39 39 GLY C C 39 176.229 175.599 0.630 2
1 472 . 1 1 A 39 39 GLY CA C 39 49.163 47.255 1.908 2
1 473 . 1 1 A 39 39 GLY N N 39 112.007 109.027 2.980 2
1 474 . 1 1 A 40 40 GLU H H 40 9.367 8.509 0.858 2
1 475 . 1 1 A 40 40 GLU HA H 40 4.234 3.998 0.236 2
1 480 . 1 1 A 40 40 GLU C C 40 176.417 179.030 -2.613 2
1 481 . 1 1 A 40 40 GLU CA C 40 58.622 59.432 -0.810 2
1 482 . 1 1 A 40 40 GLU CB C 40 28.796 29.322 -0.525 2
1 484 . 1 1 A 40 40 GLU N N 40 117.243 123.121 -5.878 2
1 485 . 1 1 A 41 41 GLN H H 41 7.503 8.057 -0.554 2
1 486 . 1 1 A 41 41 GLN HA H 41 4.752 4.141 0.611 2
1 493 . 1 1 A 41 41 GLN C C 41 177.730 178.507 -0.777 2
1 494 . 1 1 A 41 41 GLN CA C 41 55.626 58.682 -3.056 2
1 495 . 1 1 A 41 41 GLN CB C 41 30.653 28.496 2.157 2
1 498 . 1 1 A 41 41 GLN N N 41 115.837 118.993 -3.156 2
1 500 . 1 1 A 42 42 ALA H H 42 7.519 8.329 -0.810 2
1 501 . 1 1 A 42 42 ALA HA H 42 3.927 4.090 -0.163 2
1 505 . 1 1 A 42 42 ALA C C 42 177.826 179.113 -1.287 2
1 506 . 1 1 A 42 42 ALA CA C 42 56.706 55.415 1.291 2
1 507 . 1 1 A 42 42 ALA CB C 42 18.247 18.250 -0.003 2
1 508 . 1 1 A 42 42 ALA N N 42 123.105 122.615 0.490 2
1 509 . 1 1 A 43 43 GLN H H 43 9.203 7.886 1.317 2
1 510 . 1 1 A 43 43 GLN HA H 43 3.942 3.969 -0.027 2
1 517 . 1 1 A 43 43 GLN C C 43 177.913 178.105 -0.192 2
1 518 . 1 1 A 43 43 GLN CA C 43 58.678 59.224 -0.546 2
1 519 . 1 1 A 43 43 GLN CB C 43 28.815 28.346 0.469 2
1 522 . 1 1 A 43 43 GLN N N 43 118.650 117.826 0.824 2
1 524 . 1 1 A 44 44 GLU H H 44 8.611 8.109 0.502 2
1 525 . 1 1 A 44 44 GLU HA H 44 4.207 4.106 0.101 2
1 530 . 1 1 A 44 44 GLU C C 44 179.090 179.413 -0.323 2
1 531 . 1 1 A 44 44 GLU CA C 44 59.246 59.270 -0.024 2
1 532 . 1 1 A 44 44 GLU CB C 44 28.850 29.567 -0.717 2
1 534 . 1 1 A 44 44 GLU N N 44 122.042 119.563 2.479 2
1 535 . 1 1 A 45 45 THR H H 45 8.292 8.385 -0.093 2
1 536 . 1 1 A 45 45 THR HA H 45 4.123 4.152 -0.029 2
1 541 . 1 1 A 45 45 THR C C 45 176.228 176.624 -0.396 2
1 542 . 1 1 A 45 45 THR CA C 45 66.902 66.300 0.602 2
1 543 . 1 1 A 45 45 THR CB C 45 68.949 68.615 0.334 2
1 545 . 1 1 A 45 45 THR N N 45 117.583 116.504 1.079 2
1 546 . 1 1 A 46 46 ALA H H 46 8.275 8.739 -0.464 2
1 547 . 1 1 A 46 46 ALA HA H 46 4.255 4.316 -0.061 2
1 551 . 1 1 A 46 46 ALA C C 46 178.630 179.883 -1.253 2
1 552 . 1 1 A 46 46 ALA CA C 46 55.406 55.586 -0.180 2
1 553 . 1 1 A 46 46 ALA CB C 46 18.482 18.206 0.276 2
1 554 . 1 1 A 46 46 ALA N N 46 123.184 123.639 -0.455 2
1 555 . 1 1 A 47 47 ALA H H 47 8.066 8.121 -0.055 2
1 556 . 1 1 A 47 47 ALA HA H 47 3.953 4.113 -0.160 2
1 560 . 1 1 A 47 47 ALA C C 47 178.552 179.628 -1.076 2
1 561 . 1 1 A 47 47 ALA CA C 47 55.030 54.817 0.213 2
1 562 . 1 1 A 47 47 ALA CB C 47 18.899 18.507 0.392 2
1 563 . 1 1 A 47 47 ALA N N 47 117.129 120.275 -3.146 2
1 564 . 1 1 A 48 48 LYS H H 48 8.089 7.765 0.324 2
1 565 . 1 1 A 48 48 LYS HA H 48 3.936 4.087 -0.151 2
1 574 . 1 1 A 48 48 LYS C C 48 179.130 178.216 0.914 2
1 575 . 1 1 A 48 48 LYS CA C 48 58.560 58.360 0.200 2
1 576 . 1 1 A 48 48 LYS CB C 48 33.122 33.078 0.044 2
1 580 . 1 1 A 48 48 LYS N N 48 115.322 117.098 -1.776 2
1 581 . 1 1 A 49 49 TRP H H 49 7.978 8.153 -0.175 2
1 582 . 1 1 A 49 49 TRP HA H 49 4.807 4.490 0.317 2
1 591 . 1 1 A 49 49 TRP C C 49 176.923 177.186 -0.263 2
1 592 . 1 1 A 49 49 TRP CA C 49 57.157 58.790 -1.633 2
1 593 . 1 1 A 49 49 TRP CB C 49 31.461 30.484 0.977 2
1 599 . 1 1 A 49 49 TRP N N 49 114.492 117.392 -2.900 2
1 601 . 1 1 A 50 50 PHE H H 50 7.740 7.950 -0.210 2
1 602 . 1 1 A 50 50 PHE HA H 50 4.925 4.826 0.099 2
1 608 . 1 1 A 50 50 PHE C C 50 174.160 175.755 -1.595 2
1 609 . 1 1 A 50 50 PHE CA C 50 57.772 57.680 0.092 2
1 610 . 1 1 A 50 50 PHE CB C 50 39.610 38.404 1.206 2
1 614 . 1 1 A 50 50 PHE N N 50 116.540 116.411 0.129 2
1 615 . 1 1 A 51 51 ARG H H 51 7.389 7.920 -0.531 2
1 616 . 1 1 A 51 51 ARG HA H 51 4.198 4.236 -0.038 2
1 624 . 1 1 A 51 51 ARG C C 51 179.130 176.885 2.245 2
1 625 . 1 1 A 51 51 ARG CA C 51 58.224 57.539 0.685 2
1 626 . 1 1 A 51 51 ARG CB C 51 30.032 30.218 -0.186 2
1 629 . 1 1 A 51 51 ARG N N 51 119.136 120.213 -1.077 2
1 631 . 1 1 A 52 52 GLY H H 52 10.264 8.335 1.929 2
1 632 . 1 1 A 52 52 GLY HA2 H 52 4.180 4.026 0.154 2
1 633 . 1 1 A 52 52 GLY HA3 H 52 3.745 4.033 -0.288 2
1 634 . 1 1 A 52 52 GLY C C 52 173.980 174.033 -0.053 2
1 635 . 1 1 A 52 52 GLY CA C 52 45.517 45.782 -0.264 2
1 636 . 1 1 A 52 52 GLY N N 52 114.192 110.220 3.972 2
1 637 . 1 1 A 53 53 GLN H H 53 7.597 7.852 -0.255 2
1 638 . 1 1 A 53 53 GLN HA H 53 4.437 4.579 -0.142 2
1 645 . 1 1 A 53 53 GLN C C 53 172.934 175.210 -2.276 2
1 646 . 1 1 A 53 53 GLN CA C 53 56.280 55.153 1.127 2
1 647 . 1 1 A 53 53 GLN CB C 53 29.123 29.970 -0.847 2
1 650 . 1 1 A 53 53 GLN N N 53 120.438 119.220 1.218 2
1 652 . 1 1 A 54 54 ALA H H 54 8.190 8.581 -0.391 2
1 653 . 1 1 A 54 54 ALA HA H 54 4.344 4.515 -0.171 2
1 657 . 1 1 A 54 54 ALA C C 54 177.278 177.247 0.031 2
1 658 . 1 1 A 54 54 ALA CA C 54 51.377 51.887 -0.510 2
1 659 . 1 1 A 54 54 ALA CB C 54 20.525 19.902 0.623 2
1 660 . 1 1 A 54 54 ALA N N 54 124.528 124.769 -0.241 2
1 661 . 1 1 A 55 55 ASN H H 55 8.903 8.499 0.404 2
1 662 . 1 1 A 55 55 ASN HA H 55 4.598 4.558 0.040 2
1 667 . 1 1 A 55 55 ASN C C 55 174.075 174.554 -0.479 2
1 668 . 1 1 A 55 55 ASN CA C 55 53.986 53.460 0.526 2
1 669 . 1 1 A 55 55 ASN CB C 55 37.654 37.688 -0.034 2
1 671 . 1 1 A 55 55 ASN N N 55 113.776 115.627 -1.851 2
1 673 . 1 1 A 56 56 LEU H H 56 8.543 7.803 0.740 2
1 674 . 1 1 A 56 56 LEU HA H 56 4.677 4.673 0.004 2
1 684 . 1 1 A 56 56 LEU C C 56 176.806 175.805 1.001 2
1 685 . 1 1 A 56 56 LEU CA C 56 54.383 53.670 0.713 2
1 686 . 1 1 A 56 56 LEU CB C 56 45.328 43.174 2.154 2
1 690 . 1 1 A 56 56 LEU N N 56 117.411 120.751 -3.340 2
1 691 . 1 1 A 57 57 VAL H H 57 9.207 9.039 0.168 2
1 692 . 1 1 A 57 57 VAL HA H 57 4.633 4.574 0.059 2
1 700 . 1 1 A 57 57 VAL C C 57 172.465 174.039 -1.574 2
1 701 . 1 1 A 57 57 VAL CA C 57 59.970 61.068 -1.098 2
1 702 . 1 1 A 57 57 VAL CB C 57 35.376 33.873 1.503 2
1 705 . 1 1 A 57 57 VAL N N 57 121.448 123.855 -2.407 2
1 706 . 1 1 A 58 58 LEU H H 58 8.855 9.028 -0.173 2
1 707 . 1 1 A 58 58 LEU HA H 58 4.763 4.804 -0.041 2
1 717 . 1 1 A 58 58 LEU C C 58 175.349 174.665 0.684 2
1 718 . 1 1 A 58 58 LEU CA C 58 52.286 53.553 -1.267 2
1 719 . 1 1 A 58 58 LEU CB C 58 46.390 44.069 2.321 2
1 723 . 1 1 A 58 58 LEU N N 58 124.476 129.389 -4.913 2
1 724 . 1 1 A 59 59 LEU H H 59 9.265 8.960 0.305 2
1 725 . 1 1 A 59 59 LEU HA H 59 4.714 4.425 0.289 2
1 735 . 1 1 A 59 59 LEU C C 59 175.262 175.516 -0.254 2
1 736 . 1 1 A 59 59 LEU CA C 59 52.753 54.093 -1.340 2
1 737 . 1 1 A 59 59 LEU CB C 59 42.431 41.239 1.192 2
1 741 . 1 1 A 59 59 LEU N N 59 125.973 128.363 -2.390 2
1 742 . 1 1 A 60 60 ALA H H 60 8.331 8.812 -0.481 2
1 743 . 1 1 A 60 60 ALA HA H 60 4.739 4.838 -0.099 2
1 747 . 1 1 A 60 60 ALA C C 60 175.631 175.984 -0.353 2
1 748 . 1 1 A 60 60 ALA CA C 60 50.320 50.385 -0.065 2
1 749 . 1 1 A 60 60 ALA CB C 60 21.744 20.513 1.231 2
1 750 . 1 1 A 60 60 ALA N N 60 124.617 127.860 -3.243 2
1 751 . 1 1 A 61 61 VAL H H 61 8.944 8.688 0.256 2
1 752 . 1 1 A 61 61 VAL HA H 61 4.244 4.654 -0.410 2
1 760 . 1 1 A 61 61 VAL C C 61 174.674 174.931 -0.257 2
1 761 . 1 1 A 61 61 VAL CA C 61 60.770 60.642 0.128 2
1 762 . 1 1 A 61 61 VAL CB C 61 36.636 34.891 1.745 2
1 765 . 1 1 A 61 61 VAL N N 61 124.079 123.197 0.882 2
1 766 . 1 1 A 62 62 GLU H H 62 8.490 8.681 -0.191 2
1 767 . 1 1 A 62 62 GLU HA H 62 4.551 4.403 0.148 2
1 772 . 1 1 A 62 62 GLU C C 62 177.700 176.979 0.721 2
1 773 . 1 1 A 62 62 GLU CA C 62 56.879 56.434 0.446 2
1 774 . 1 1 A 62 62 GLU CB C 62 29.372 29.741 -0.369 2
1 776 . 1 1 A 62 62 GLU N N 62 127.752 126.806 0.946 2
1 777 . 1 1 A 63 63 ALA H H 63 9.173 8.913 0.260 2
1 778 . 1 1 A 63 63 ALA HA H 63 3.991 4.182 -0.191 2
1 782 . 1 1 A 63 63 ALA C C 63 180.311 178.199 2.112 2
1 783 . 1 1 A 63 63 ALA CA C 63 54.850 54.103 0.747 2
1 784 . 1 1 A 63 63 ALA CB C 63 19.495 18.668 0.827 2
1 785 . 1 1 A 63 63 ALA N N 63 127.466 127.348 0.118 2
1 786 . 1 1 A 64 64 GLU H H 64 9.571 8.044 1.527 2
1 787 . 1 1 A 64 64 GLU HA H 64 4.146 4.298 -0.152 2
1 792 . 1 1 A 64 64 GLU C C 64 177.102 176.217 0.885 2
1 793 . 1 1 A 64 64 GLU CA C 64 63.532 59.336 4.196 2
1 794 . 1 1 A 64 64 GLU CB C 64 25.742 28.797 -3.055 2
1 796 . 1 1 A 64 64 GLU N N 64 120.368 117.636 2.732 2
1 797 . 1 1 A 65 65 PRO HA H 65 4.440 4.426 0.014 2
1 804 . 1 1 A 65 65 PRO C C 65 177.332 177.618 -0.286 2
1 805 . 1 1 A 65 65 PRO CA C 65 64.973 64.577 0.396 2
1 806 . 1 1 A 65 65 PRO CB C 65 31.341 30.924 0.417 2
1 809 . 1 1 A 66 66 LEU H H 66 7.412 8.236 -0.824 2
1 810 . 1 1 A 66 66 LEU HA H 66 4.023 4.167 -0.144 2
1 820 . 1 1 A 66 66 LEU C C 66 178.533 177.069 1.464 2
1 821 . 1 1 A 66 66 LEU CA C 66 55.861 56.101 -0.240 2
1 822 . 1 1 A 66 66 LEU CB C 66 41.349 41.645 -0.297 2
1 826 . 1 1 A 66 66 LEU N N 66 114.991 118.535 -3.544 2
1 827 . 1 1 A 67 67 GLY H H 67 7.733 7.949 -0.216 2
1 828 . 1 1 A 67 67 GLY HA2 H 67 4.018 4.011 0.007 2
1 829 . 1 1 A 67 67 GLY HA3 H 67 3.909 4.020 -0.111 2
1 830 . 1 1 A 67 67 GLY C C 67 175.925 174.722 1.203 2
1 831 . 1 1 A 67 67 GLY CA C 67 46.054 46.140 -0.086 2
1 832 . 1 1 A 67 67 GLY N N 67 104.242 107.396 -3.154 2
1 833 . 1 1 A 68 68 GLU H H 68 8.887 8.607 0.280 2
1 834 . 1 1 A 68 68 GLU HA H 68 4.219 4.330 -0.111 2
1 839 . 1 1 A 68 68 GLU C C 68 176.314 177.405 -1.091 2
1 840 . 1 1 A 68 68 GLU CA C 68 57.652 57.356 0.296 2
1 841 . 1 1 A 68 68 GLU CB C 68 29.306 29.684 -0.378 2
1 843 . 1 1 A 68 68 GLU N N 68 121.253 122.317 -1.064 2
1 844 . 1 1 A 69 69 ASP H H 69 7.630 8.071 -0.441 2
1 845 . 1 1 A 69 69 ASP HA H 69 4.587 4.589 -0.002 2
1 848 . 1 1 A 69 69 ASP C C 69 174.665 176.017 -1.352 2
1 849 . 1 1 A 69 69 ASP CA C 69 56.078 55.970 0.108 2
1 850 . 1 1 A 69 69 ASP CB C 69 41.572 40.926 0.646 2
1 851 . 1 1 A 69 69 ASP N N 69 116.486 118.731 -2.245 2
1 852 . 1 1 A 70 70 LEU H H 70 7.433 7.460 -0.027 2
1 853 . 1 1 A 70 70 LEU HA H 70 4.854 4.774 0.080 2
1 863 . 1 1 A 70 70 LEU C C 70 174.259 175.256 -0.997 2
1 864 . 1 1 A 70 70 LEU CA C 70 53.281 54.068 -0.786 2
1 865 . 1 1 A 70 70 LEU CB C 70 43.024 44.123 -1.099 2
1 869 . 1 1 A 70 70 LEU N N 70 121.585 120.674 0.910 2
1 870 . 1 1 A 71 71 LYS H H 71 9.114 8.832 0.282 2
1 871 . 1 1 A 71 71 LYS HA H 71 4.724 4.930 -0.206 2
1 880 . 1 1 A 71 71 LYS C C 71 175.146 175.061 0.085 2
1 881 . 1 1 A 71 71 LYS CA C 71 54.024 54.899 -0.875 2
1 882 . 1 1 A 71 71 LYS CB C 71 35.469 35.050 0.419 2
1 886 . 1 1 A 71 71 LYS N N 71 126.179 126.371 -0.192 2
1 887 . 1 1 A 72 72 TRP H H 72 8.981 9.016 -0.035 2
1 888 . 1 1 A 72 72 TRP HA H 72 4.720 4.831 -0.111 2
1 897 . 1 1 A 72 72 TRP C C 72 176.394 175.780 0.613 2
1 898 . 1 1 A 72 72 TRP CA C 72 55.876 56.989 -1.113 2
1 899 . 1 1 A 72 72 TRP CB C 72 27.789 28.640 -0.851 2
1 905 . 1 1 A 72 72 TRP N N 72 125.904 127.939 -2.035 2
1 907 . 1 1 A 73 73 GLU H H 73 8.558 8.822 -0.264 2
1 908 . 1 1 A 73 73 GLU HA H 73 4.762 4.858 -0.096 2
1 913 . 1 1 A 73 73 GLU C C 73 175.459 175.575 -0.116 2
1 914 . 1 1 A 73 73 GLU CA C 73 55.208 55.541 -0.333 2
1 915 . 1 1 A 73 73 GLU CB C 73 32.615 31.761 0.855 2
1 917 . 1 1 A 73 73 GLU N N 73 123.290 125.240 -1.950 2
1 918 . 1 1 A 74 74 ALA H H 74 8.962 8.717 0.245 2
1 919 . 1 1 A 74 74 ALA HA H 74 4.738 4.958 -0.220 2
1 923 . 1 1 A 74 74 ALA C C 74 177.803 177.105 0.698 2
1 924 . 1 1 A 74 74 ALA CA C 74 52.246 51.547 0.699 2
1 925 . 1 1 A 74 74 ALA CB C 74 20.070 19.826 0.244 2
1 926 . 1 1 A 74 74 ALA N N 74 127.315 129.025 -1.710 2
1 927 . 1 1 A 75 75 SER H H 75 8.762 8.751 0.011 2
1 928 . 1 1 A 75 75 SER HA H 75 4.850 4.721 0.129 2
1 931 . 1 1 A 75 75 SER C C 75 176.080 174.407 1.673 2
1 932 . 1 1 A 75 75 SER CA C 75 56.954 58.260 -1.306 2
1 933 . 1 1 A 75 75 SER CB C 75 65.244 64.355 0.889 2
1 934 . 1 1 A 75 75 SER N N 75 117.745 117.074 0.671 2
1 935 . 1 1 A 76 76 ARG HA H 76 4.193 4.219 -0.026 2
1 943 . 1 1 A 76 76 ARG CA C 76 58.895 57.547 1.348 2
1 944 . 1 1 A 76 76 ARG CB C 76 29.877 29.916 -0.039 2
1 947 . 1 1 A 77 77 GLY C C 77 175.277 174.694 0.583 2
1 948 . 1 1 A 78 78 GLY H H 78 8.045 8.263 -0.218 2
1 949 . 1 1 A 78 78 GLY HA2 H 78 4.390 4.039 0.351 2
1 950 . 1 1 A 78 78 GLY HA3 H 78 3.786 4.048 -0.261 2
1 951 . 1 1 A 78 78 GLY C C 78 173.503 173.989 -0.486 2
1 952 . 1 1 A 78 78 GLY CA C 78 45.296 45.518 -0.222 2
1 953 . 1 1 A 78 78 GLY N N 78 110.323 108.739 1.584 2
1 954 . 1 1 A 79 79 ALA H H 79 7.879 8.145 -0.266 2
1 955 . 1 1 A 79 79 ALA HA H 79 4.357 4.165 0.192 2
1 959 . 1 1 A 79 79 ALA C C 79 176.674 176.609 0.065 2
1 960 . 1 1 A 79 79 ALA CA C 79 52.151 52.412 -0.261 2
1 961 . 1 1 A 79 79 ALA CB C 79 20.171 18.814 1.357 2
1 962 . 1 1 A 79 79 ALA N N 79 123.865 123.377 0.488 2
1 963 . 1 1 A 80 80 ARG H H 80 8.375 8.508 -0.134 2
1 964 . 1 1 A 80 80 ARG HA H 80 4.629 4.734 -0.105 2
1 972 . 1 1 A 80 80 ARG C C 80 175.713 175.031 0.682 2
1 973 . 1 1 A 80 80 ARG CA C 80 55.622 55.358 0.264 2
1 974 . 1 1 A 80 80 ARG CB C 80 32.074 31.215 0.859 2
1 977 . 1 1 A 80 80 ARG N N 80 119.145 122.045 -2.900 2
1 979 . 1 1 A 81 81 PHE H H 81 8.722 8.870 -0.148 2
1 980 . 1 1 A 81 81 PHE HA H 81 5.156 4.874 0.282 2
1 988 . 1 1 A 81 81 PHE C C 81 172.806 173.976 -1.170 2
1 989 . 1 1 A 81 81 PHE CA C 81 54.950 55.587 -0.637 2
1 990 . 1 1 A 81 81 PHE CB C 81 42.240 40.042 2.198 2
1 996 . 1 1 A 81 81 PHE N N 81 123.774 123.391 0.383 2
1 997 . 1 1 A 82 82 PRO HA H 82 3.635 4.183 -0.548 2
1 1004 . 1 1 A 82 82 PRO C C 82 174.511 175.777 -1.266 2
1 1005 . 1 1 A 82 82 PRO CA C 82 61.347 62.405 -1.058 2
1 1006 . 1 1 A 82 82 PRO CB C 82 29.495 30.826 -1.331 2
1 1009 . 1 1 A 83 83 HIS H H 83 8.831 8.769 0.062 2
1 1010 . 1 1 A 83 83 HIS HA H 83 5.330 4.971 0.359 2
1 1014 . 1 1 A 83 83 HIS C C 83 172.952 174.040 -1.088 2
1 1015 . 1 1 A 83 83 HIS CA C 83 50.700 55.160 -4.460 2
1 1016 . 1 1 A 83 83 HIS CB C 83 33.238 31.376 1.862 2
1 1018 . 1 1 A 83 83 HIS N N 83 124.483 122.989 1.494 2
1 1019 . 1 1 A 84 84 LEU H H 84 9.063 8.886 0.177 2
1 1020 . 1 1 A 84 84 LEU HA H 84 5.163 4.823 0.340 2
1 1030 . 1 1 A 84 84 LEU C C 84 176.699 176.323 0.376 2
1 1031 . 1 1 A 84 84 LEU CA C 84 53.829 53.485 0.344 2
1 1032 . 1 1 A 84 84 LEU CB C 84 45.366 43.752 1.614 2
1 1036 . 1 1 A 84 84 LEU N N 84 125.218 125.460 -0.242 2
1 1037 . 1 1 A 85 85 TYR H H 85 9.058 8.859 0.199 2
1 1038 . 1 1 A 85 85 TYR HA H 85 4.508 4.673 -0.165 2
1 1045 . 1 1 A 85 85 TYR C C 85 173.624 175.123 -1.499 2
1 1046 . 1 1 A 85 85 TYR CA C 85 60.034 57.928 2.106 2
1 1047 . 1 1 A 85 85 TYR CB C 85 36.073 38.212 -2.139 2
1 1052 . 1 1 A 85 85 TYR N N 85 131.339 125.715 5.624 2
1 1053 . 1 1 A 86 86 ARG H H 86 7.432 7.609 -0.177 2
1 1054 . 1 1 A 86 86 ARG HA H 86 4.682 4.869 -0.187 2
1 1062 . 1 1 A 86 86 ARG C C 86 171.917 173.735 -1.818 2
1 1063 . 1 1 A 86 86 ARG CA C 86 54.953 53.494 1.459 2
1 1064 . 1 1 A 86 86 ARG CB C 86 28.209 32.404 -4.195 2
1 1067 . 1 1 A 86 86 ARG N N 86 114.399 118.500 -4.101 2
1 1069 . 1 1 A 87 87 PRO HA H 87 4.303 4.503 -0.200 2
1 1076 . 1 1 A 87 87 PRO C C 87 175.771 176.168 -0.397 2
1 1077 . 1 1 A 87 87 PRO CA C 87 63.497 63.015 0.482 2
1 1078 . 1 1 A 87 87 PRO CB C 87 32.253 31.898 0.355 2
1 1081 . 1 1 A 88 88 LEU H H 88 8.095 8.245 -0.150 2
1 1082 . 1 1 A 88 88 LEU HA H 88 4.286 4.645 -0.359 2
1 1092 . 1 1 A 88 88 LEU C C 88 175.946 175.745 0.201 2
1 1093 . 1 1 A 88 88 LEU CA C 88 53.675 54.497 -0.822 2
1 1094 . 1 1 A 88 88 LEU CB C 88 45.548 43.067 2.481 2
1 1098 . 1 1 A 88 88 LEU N N 88 125.942 123.269 2.673 2
1 1099 . 1 1 A 89 89 LEU H H 89 9.224 8.544 0.680 2
1 1100 . 1 1 A 89 89 LEU HA H 89 4.561 4.368 0.193 2
1 1110 . 1 1 A 89 89 LEU C C 89 179.295 178.066 1.229 2
1 1111 . 1 1 A 89 89 LEU CA C 89 55.212 55.238 -0.026 2
1 1112 . 1 1 A 89 89 LEU CB C 89 41.460 41.906 -0.446 2
1 1116 . 1 1 A 89 89 LEU N N 89 128.295 127.979 0.316 2
1 1117 . 1 1 A 90 90 VAL H H 90 7.665 8.699 -1.034 2
1 1118 . 1 1 A 90 90 VAL HA H 90 3.785 3.858 -0.073 2
1 1126 . 1 1 A 90 90 VAL C C 90 178.510 177.471 1.039 2
1 1127 . 1 1 A 90 90 VAL CA C 90 66.833 65.948 0.885 2
1 1128 . 1 1 A 90 90 VAL CB C 90 31.330 31.560 -0.230 2
1 1131 . 1 1 A 90 90 VAL N N 90 122.696 123.912 -1.216 2
1 1132 . 1 1 A 91 91 SER H H 91 8.134 8.194 -0.060 2
1 1133 . 1 1 A 91 91 SER HA H 91 4.280 4.288 -0.008 2
1 1136 . 1 1 A 91 91 SER C C 91 175.328 175.722 -0.394 2
1 1137 . 1 1 A 91 91 SER CA C 91 59.822 60.711 -0.889 2
1 1138 . 1 1 A 91 91 SER CB C 91 62.512 62.854 -0.342 2
1 1139 . 1 1 A 91 91 SER N N 91 112.443 115.545 -3.102 2
1 1140 . 1 1 A 92 92 GLU H H 92 7.598 8.154 -0.556 2
1 1141 . 1 1 A 92 92 GLU HA H 92 4.221 4.310 -0.089 2
1 1146 . 1 1 A 92 92 GLU C C 92 175.722 176.902 -1.180 2
1 1147 . 1 1 A 92 92 GLU CA C 92 56.594 57.725 -1.131 2
1 1148 . 1 1 A 92 92 GLU CB C 92 29.511 29.827 -0.316 2
1 1150 . 1 1 A 92 92 GLU N N 92 120.359 119.890 0.469 2
1 1151 . 1 1 A 93 93 VAL H H 93 7.486 7.398 0.088 2
1 1152 . 1 1 A 93 93 VAL HA H 93 4.046 4.063 -0.017 2
1 1160 . 1 1 A 93 93 VAL C C 93 176.093 175.952 0.141 2
1 1161 . 1 1 A 93 93 VAL CA C 93 63.242 63.403 -0.161 2
1 1162 . 1 1 A 93 93 VAL CB C 93 32.306 31.598 0.708 2
1 1165 . 1 1 A 93 93 VAL N N 93 121.222 120.597 0.625 2
1 1166 . 1 1 A 94 94 THR H H 94 9.003 8.748 0.255 2
1 1167 . 1 1 A 94 94 THR HA H 94 4.264 4.131 0.133 2
1 1172 . 1 1 A 94 94 THR C C 94 174.664 174.721 -0.057 2
1 1173 . 1 1 A 94 94 THR CA C 94 64.438 64.798 -0.360 2
1 1174 . 1 1 A 94 94 THR CB C 94 69.317 69.049 0.268 2
1 1176 . 1 1 A 94 94 THR N N 94 124.794 121.928 2.866 2
1 1177 . 1 1 A 95 95 ARG H H 95 7.514 7.612 -0.098 2
1 1178 . 1 1 A 95 95 ARG HA H 95 4.646 4.781 -0.135 2
1 1186 . 1 1 A 95 95 ARG C C 95 172.989 174.147 -1.157 2
1 1187 . 1 1 A 95 95 ARG CA C 95 55.872 54.828 1.044 2
1 1188 . 1 1 A 95 95 ARG CB C 95 33.789 33.941 -0.152 2
1 1191 . 1 1 A 95 95 ARG N N 95 118.660 118.332 0.328 2
1 1193 . 1 1 A 96 96 GLU H H 96 8.545 8.843 -0.298 2
1 1194 . 1 1 A 96 96 GLU HA H 96 5.329 4.935 0.394 2
1 1199 . 1 1 A 96 96 GLU C C 96 174.480 174.804 -0.324 2
1 1200 . 1 1 A 96 96 GLU CA C 96 53.415 54.898 -1.483 2
1 1201 . 1 1 A 96 96 GLU CB C 96 33.592 31.743 1.849 2
1 1203 . 1 1 A 96 96 GLU N N 96 121.828 121.994 -0.166 2
1 1204 . 1 1 A 97 97 ALA H H 97 8.276 8.428 -0.152 2
1 1205 . 1 1 A 97 97 ALA HA H 97 4.537 4.741 -0.204 2
1 1209 . 1 1 A 97 97 ALA C C 97 175.233 175.990 -0.757 2
1 1210 . 1 1 A 97 97 ALA CA C 97 51.368 51.253 0.115 2
1 1211 . 1 1 A 97 97 ALA CB C 97 22.101 20.642 1.459 2
1 1212 . 1 1 A 97 97 ALA N N 97 123.211 125.814 -2.603 2
1 1213 . 1 1 A 98 98 ASP H H 98 8.399 8.677 -0.278 2
1 1214 . 1 1 A 98 98 ASP HA H 98 4.850 4.766 0.084 2
1 1217 . 1 1 A 98 98 ASP C C 98 176.085 175.777 0.308 2
1 1218 . 1 1 A 98 98 ASP CA C 98 54.824 54.219 0.605 2
1 1219 . 1 1 A 98 98 ASP CB C 98 41.694 41.310 0.384 2
1 1220 . 1 1 A 98 98 ASP N N 98 122.093 123.169 -1.076 2
1 1221 . 1 1 A 99 99 LEU H H 99 7.854 8.661 -0.807 2
1 1222 . 1 1 A 99 99 LEU HA H 99 4.766 4.708 0.058 2
1 1232 . 1 1 A 99 99 LEU C C 99 176.250 175.504 0.746 2
1 1233 . 1 1 A 99 99 LEU CA C 99 53.544 54.120 -0.576 2
1 1234 . 1 1 A 99 99 LEU CB C 99 44.229 43.093 1.136 2
1 1238 . 1 1 A 99 99 LEU N N 99 120.272 123.926 -3.654 2
1 1239 . 1 1 A 100 100 ASP H H 100 9.215 8.726 0.489 2
1 1240 . 1 1 A 100 100 ASP HA H 100 4.935 5.035 -0.100 2
1 1243 . 1 1 A 100 100 ASP C C 100 174.956 175.459 -0.504 2
1 1244 . 1 1 A 100 100 ASP CA C 100 52.684 53.511 -0.828 2
1 1245 . 1 1 A 100 100 ASP CB C 100 43.362 42.270 1.092 2
1 1246 . 1 1 A 100 100 ASP N N 100 123.325 124.375 -1.050 2
1 1247 . 1 1 A 101 101 LEU H H 101 8.526 8.622 -0.096 2
1 1248 . 1 1 A 101 101 LEU HA H 101 4.639 4.802 -0.163 2
1 1258 . 1 1 A 101 101 LEU C C 101 178.204 175.526 2.678 2
1 1259 . 1 1 A 101 101 LEU CA C 101 53.490 54.248 -0.758 2
1 1260 . 1 1 A 101 101 LEU CB C 101 44.374 43.554 0.820 2
1 1264 . 1 1 A 101 101 LEU N N 101 118.539 122.182 -3.643 2
1 1265 . 1 1 A 102 102 ASP H H 102 8.029 8.570 -0.541 2
1 1266 . 1 1 A 102 102 ASP HA H 102 4.615 4.930 -0.315 2
1 1269 . 1 1 A 102 102 ASP C C 102 178.176 176.432 1.744 2
1 1270 . 1 1 A 102 102 ASP CA C 102 52.297 52.654 -0.357 2
1 1271 . 1 1 A 102 102 ASP CB C 102 41.108 43.261 -2.153 2
1 1272 . 1 1 A 102 102 ASP N N 102 121.008 121.451 -0.443 2
1 1273 . 1 1 A 103 103 ALA H H 103 8.384 8.700 -0.316 2
1 1274 . 1 1 A 103 103 ALA HA H 103 4.099 3.976 0.123 2
1 1278 . 1 1 A 103 103 ALA C C 103 178.527 177.671 0.856 2
1 1279 . 1 1 A 103 103 ALA CA C 103 54.648 54.682 -0.034 2
1 1280 . 1 1 A 103 103 ALA CB C 103 18.604 18.234 0.370 2
1 1281 . 1 1 A 103 103 ALA N N 103 120.139 123.263 -3.124 2
1 1282 . 1 1 A 104 104 ASP H H 104 8.033 8.027 0.006 2
1 1283 . 1 1 A 104 104 ASP HA H 104 4.811 4.733 0.078 2
1 1286 . 1 1 A 104 104 ASP C C 104 176.113 176.683 -0.570 2
1 1287 . 1 1 A 104 104 ASP CA C 104 54.077 54.016 0.061 2
1 1288 . 1 1 A 104 104 ASP CB C 104 41.899 41.543 0.356 2
1 1289 . 1 1 A 104 104 ASP N N 104 116.590 117.143 -0.553 2
1 1290 . 1 1 A 105 105 GLY H H 105 8.196 8.258 -0.062 2
1 1291 . 1 1 A 105 105 GLY HA2 H 105 4.293 3.963 0.330 2
1 1292 . 1 1 A 105 105 GLY HA3 H 105 3.657 3.966 -0.309 2
1 1293 . 1 1 A 105 105 GLY C C 105 173.635 174.323 -0.688 2
1 1294 . 1 1 A 105 105 GLY CA C 105 45.741 46.014 -0.273 2
1 1295 . 1 1 A 105 105 GLY N N 105 107.882 108.293 -0.411 2
1 1296 . 1 1 A 106 106 VAL H H 106 8.886 7.764 1.122 2
1 1297 . 1 1 A 106 106 VAL HA H 106 4.082 4.375 -0.293 2
1 1305 . 1 1 A 106 106 VAL C C 106 175.529 174.903 0.626 2
1 1306 . 1 1 A 106 106 VAL CA C 106 61.360 60.159 1.201 2
1 1307 . 1 1 A 106 106 VAL CB C 106 32.373 33.165 -0.792 2
1 1310 . 1 1 A 106 106 VAL N N 106 125.585 120.402 5.183 2
1 1311 . 1 1 A 107 107 PRO HA H 107 4.737 4.636 0.101 2
1 1318 . 1 1 A 107 107 PRO C C 107 176.029 176.657 -0.628 2
1 1319 . 1 1 A 107 107 PRO CA C 107 62.674 63.202 -0.528 2
1 1320 . 1 1 A 107 107 PRO CB C 107 31.789 31.230 0.559 2
1 1323 . 1 1 A 108 108 GLN H H 108 8.563 8.500 0.063 2
1 1324 . 1 1 A 108 108 GLN HA H 108 4.498 4.392 0.106 2
1 1331 . 1 1 A 108 108 GLN C C 108 176.218 175.992 0.226 2
1 1332 . 1 1 A 108 108 GLN CA C 108 54.901 55.272 -0.371 2
1 1333 . 1 1 A 108 108 GLN CB C 108 29.514 27.506 2.008 2
1 1336 . 1 1 A 108 108 GLN N N 108 122.641 121.800 0.841 2
1 1338 . 1 1 A 109 109 LEU H H 109 8.853 8.205 0.648 2
1 1339 . 1 1 A 109 109 LEU HA H 109 4.330 4.353 -0.022 2
1 1349 . 1 1 A 109 109 LEU C C 109 178.151 178.747 -0.596 2
1 1350 . 1 1 A 109 109 LEU CA C 109 56.522 56.352 0.170 2
1 1351 . 1 1 A 109 109 LEU CB C 109 41.883 41.897 -0.014 2
1 1355 . 1 1 A 109 109 LEU N N 109 125.974 124.179 1.795 2
1 1356 . 1 1 A 110 110 GLY H H 110 8.809 8.262 0.547 2
1 1357 . 1 1 A 110 110 GLY HA2 H 110 3.952 3.802 0.150 2
1 1358 . 1 1 A 110 110 GLY HA3 H 110 3.551 3.807 -0.256 2
1 1359 . 1 1 A 110 110 GLY C C 110 176.002 175.391 0.611 2
1 1360 . 1 1 A 110 110 GLY CA C 110 48.748 47.124 1.624 2
1 1361 . 1 1 A 110 110 GLY N N 110 109.442 107.369 2.073 2
1 1362 . 1 1 A 111 111 ASP H H 111 8.674 7.981 0.693 2
1 1363 . 1 1 A 111 111 ASP HA H 111 4.317 4.419 -0.102 2
1 1366 . 1 1 A 111 111 ASP C C 111 177.159 178.014 -0.855 2
1 1367 . 1 1 A 111 111 ASP CA C 111 56.239 56.040 0.199 2
1 1368 . 1 1 A 111 111 ASP CB C 111 39.791 40.575 -0.784 2
1 1369 . 1 1 A 111 111 ASP N N 111 119.503 121.051 -1.548 2
1 1370 . 1 1 A 112 112 HIS H H 112 7.471 7.817 -0.346 2
1 1371 . 1 1 A 112 112 HIS HA H 112 4.481 4.374 0.107 2
1 1376 . 1 1 A 112 112 HIS C C 112 177.121 175.647 1.474 2
1 1377 . 1 1 A 112 112 HIS CA C 112 56.692 58.648 -1.956 2
1 1378 . 1 1 A 112 112 HIS CB C 112 31.648 30.607 1.041 2
1 1381 . 1 1 A 112 112 HIS N N 112 116.681 117.124 -0.443 2
1 1382 . 1 1 A 113 113 LEU H H 113 7.526 7.723 -0.197 2
1 1383 . 1 1 A 113 113 LEU HA H 113 4.148 4.385 -0.237 2
1 1393 . 1 1 A 113 113 LEU C C 113 177.363 176.806 0.557 2
1 1394 . 1 1 A 113 113 LEU CA C 113 55.509 54.604 0.905 2
1 1395 . 1 1 A 113 113 LEU CB C 113 42.009 42.846 -0.837 2
1 1399 . 1 1 A 113 113 LEU N N 113 118.976 118.533 0.443 2
1 1400 . 1 1 A 114 114 ALA H H 114 7.648 8.392 -0.744 2
1 1401 . 1 1 A 114 114 ALA HA H 114 4.227 4.283 -0.056 2
1 1405 . 1 1 A 114 114 ALA C C 114 177.692 177.255 0.437 2
1 1406 . 1 1 A 114 114 ALA CA C 114 52.828 52.855 -0.027 2
1 1407 . 1 1 A 114 114 ALA CB C 114 18.497 18.976 -0.479 2
1 1408 . 1 1 A 114 114 ALA N N 114 121.893 121.774 0.119 2
1 1409 . 1 1 A 115 115 LEU H H 115 7.764 8.201 -0.437 2
1 1410 . 1 1 A 115 115 LEU HA H 115 4.146 4.260 -0.114 2
1 1420 . 1 1 A 115 115 LEU C C 115 177.819 176.508 1.311 2
1 1421 . 1 1 A 115 115 LEU CA C 115 55.771 55.586 0.185 2
1 1422 . 1 1 A 115 115 LEU CB C 115 42.000 41.417 0.583 2
1 1426 . 1 1 A 115 115 LEU N N 115 119.576 120.496 -0.920 2
stop_
save_