data_10281_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10281
_Entry.PDB_ID 2CUE
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 GLN H H 8 8.925 7.848 1.077 1
1 2 . 1 1 1 A 8 8 GLN HA H 8 4.398 4.793 -0.395 1
1 8 . 1 1 1 A 8 8 GLN CA C 8 56.051 53.931 2.120 1
1 9 . 1 1 1 A 8 8 GLN CB C 8 29.491 31.570 -2.079 1
1 12 . 1 1 1 A 12 12 THR HA H 12 4.352 5.186 -0.834 1
1 17 . 1 1 1 A 12 12 THR CA C 12 61.819 59.605 2.214 1
1 18 . 1 1 1 A 12 12 THR CB C 12 69.783 71.044 -1.261 1
1 20 . 1 1 1 A 13 13 SER HA H 13 4.465 4.497 -0.032 1
1 23 . 1 1 1 A 13 13 SER C C 13 173.828 174.772 -0.944 1
1 24 . 1 1 1 A 13 13 SER CA C 13 57.973 60.372 -2.399 1
1 25 . 1 1 1 A 13 13 SER CB C 13 64.246 63.940 0.306 1
1 26 . 1 1 1 A 14 14 PHE H H 14 8.322 7.867 0.455 1
1 27 . 1 1 1 A 14 14 PHE HA H 14 5.035 4.573 0.462 1
1 35 . 1 1 1 A 14 14 PHE C C 14 176.750 175.310 1.440 1
1 36 . 1 1 1 A 14 14 PHE CA C 14 56.624 58.446 -1.822 1
1 37 . 1 1 1 A 14 14 PHE CB C 14 41.174 39.513 1.661 1
1 43 . 1 1 1 A 14 14 PHE N N 14 121.036 119.109 1.927 1
1 44 . 1 1 1 A 15 15 THR H H 15 8.944 8.295 0.649 1
1 45 . 1 1 1 A 15 15 THR HA H 15 4.529 5.082 -0.553 1
1 50 . 1 1 1 A 15 15 THR C C 15 175.433 175.264 0.169 1
1 51 . 1 1 1 A 15 15 THR CA C 15 60.644 59.376 1.268 1
1 52 . 1 1 1 A 15 15 THR CB C 15 70.784 71.798 -1.014 1
1 54 . 1 1 1 A 15 15 THR N N 15 113.618 111.997 1.621 1
1 55 . 1 1 1 A 16 16 GLN H H 16 9.086 8.974 0.112 1
1 56 . 1 1 1 A 16 16 GLN HA H 16 4.016 4.044 -0.028 1
1 63 . 1 1 1 A 16 16 GLN C C 16 178.149 177.429 0.720 1
1 64 . 1 1 1 A 16 16 GLN CA C 16 59.283 59.256 0.027 1
1 65 . 1 1 1 A 16 16 GLN CB C 16 27.943 28.568 -0.625 1
1 67 . 1 1 1 A 16 16 GLN N N 16 121.415 121.438 -0.023 1
1 69 . 1 1 1 A 17 17 GLU H H 17 8.837 8.393 0.444 1
1 70 . 1 1 1 A 17 17 GLU HA H 17 4.048 4.084 -0.036 1
1 75 . 1 1 1 A 17 17 GLU C C 17 180.248 179.212 1.036 1
1 76 . 1 1 1 A 17 17 GLU CA C 17 60.156 59.269 0.887 1
1 77 . 1 1 1 A 17 17 GLU CB C 17 29.125 29.248 -0.123 1
1 79 . 1 1 1 A 17 17 GLU N N 17 117.930 119.299 -1.369 1
1 80 . 1 1 1 A 18 18 GLN H H 18 7.738 8.111 -0.373 1
1 81 . 1 1 1 A 18 18 GLN HA H 18 3.809 4.155 -0.346 1
1 88 . 1 1 1 A 18 18 GLN C C 18 177.079 178.537 -1.458 1
1 89 . 1 1 1 A 18 18 GLN CA C 18 59.358 58.272 1.086 1
1 90 . 1 1 1 A 18 18 GLN CB C 18 27.338 28.816 -1.478 1
1 92 . 1 1 1 A 18 18 GLN N N 18 119.421 119.020 0.401 1
1 94 . 1 1 1 A 19 19 ILE H H 19 8.265 8.568 -0.303 1
1 95 . 1 1 1 A 19 19 ILE HA H 19 3.240 3.340 -0.100 1
1 105 . 1 1 1 A 19 19 ILE C C 19 177.409 177.772 -0.363 1
1 106 . 1 1 1 A 19 19 ILE CA C 19 64.693 65.190 -0.497 1
1 107 . 1 1 1 A 19 19 ILE CB C 19 37.544 37.507 0.037 1
1 111 . 1 1 1 A 19 19 ILE N N 19 118.326 121.469 -3.143 1
1 112 . 1 1 1 A 20 20 GLU H H 20 8.304 8.476 -0.172 1
1 113 . 1 1 1 A 20 20 GLU HA H 20 3.916 4.068 -0.152 1
1 118 . 1 1 1 A 20 20 GLU C C 20 179.281 178.411 0.870 1
1 119 . 1 1 1 A 20 20 GLU CA C 20 59.674 58.927 0.747 1
1 120 . 1 1 1 A 20 20 GLU CB C 20 29.369 29.375 -0.006 1
1 122 . 1 1 1 A 20 20 GLU N N 20 117.948 119.970 -2.022 1
1 123 . 1 1 1 A 21 21 ALA H H 21 7.335 7.866 -0.531 1
1 124 . 1 1 1 A 21 21 ALA HA H 21 4.095 4.050 0.045 1
1 128 . 1 1 1 A 21 21 ALA C C 21 180.825 180.301 0.524 1
1 129 . 1 1 1 A 21 21 ALA CA C 21 54.885 54.367 0.518 1
1 130 . 1 1 1 A 21 21 ALA CB C 21 19.190 18.395 0.795 1
1 131 . 1 1 1 A 21 21 ALA N N 21 120.460 122.254 -1.794 1
1 132 . 1 1 1 A 22 22 LEU H H 22 8.100 7.955 0.145 1
1 133 . 1 1 1 A 22 22 LEU HA H 22 3.490 3.787 -0.297 1
1 143 . 1 1 1 A 22 22 LEU C C 22 177.861 179.012 -1.151 1
1 144 . 1 1 1 A 22 22 LEU CA C 22 58.530 57.132 1.398 1
1 145 . 1 1 1 A 22 22 LEU CB C 22 37.691 40.251 -2.560 1
1 149 . 1 1 1 A 22 22 LEU N N 22 122.412 120.324 2.088 1
1 150 . 1 1 1 A 23 23 GLU H H 23 8.534 8.547 -0.013 1
1 151 . 1 1 1 A 23 23 GLU HA H 23 4.360 4.150 0.210 1
1 156 . 1 1 1 A 23 23 GLU C C 23 180.413 179.748 0.665 1
1 157 . 1 1 1 A 23 23 GLU CA C 23 59.072 59.469 -0.397 1
1 158 . 1 1 1 A 23 23 GLU CB C 23 28.905 29.267 -0.362 1
1 160 . 1 1 1 A 23 23 GLU N N 23 118.309 119.689 -1.380 1
1 161 . 1 1 1 A 24 24 LYS H H 24 7.898 7.749 0.149 1
1 162 . 1 1 1 A 24 24 LYS HA H 24 4.170 4.037 0.133 1
1 170 . 1 1 1 A 24 24 LYS C C 24 179.672 178.151 1.521 1
1 171 . 1 1 1 A 24 24 LYS CA C 24 59.144 59.249 -0.105 1
1 172 . 1 1 1 A 24 24 LYS CB C 24 32.082 31.956 0.126 1
1 176 . 1 1 1 A 24 24 LYS N N 24 119.449 121.115 -1.666 1
1 177 . 1 1 1 A 25 25 GLU H H 25 7.887 7.622 0.265 1
1 178 . 1 1 1 A 25 25 GLU HA H 25 4.596 4.172 0.424 1
1 183 . 1 1 1 A 25 25 GLU C C 25 177.923 179.046 -1.123 1
1 184 . 1 1 1 A 25 25 GLU CA C 25 58.799 58.993 -0.194 1
1 185 . 1 1 1 A 25 25 GLU CB C 25 28.787 29.487 -0.700 1
1 187 . 1 1 1 A 25 25 GLU N N 25 121.941 118.689 3.252 1
1 188 . 1 1 1 A 26 26 PHE H H 26 8.843 8.430 0.413 1
1 189 . 1 1 1 A 26 26 PHE HA H 26 4.865 4.440 0.425 1
1 197 . 1 1 1 A 26 26 PHE C C 26 176.380 177.841 -1.461 1
1 198 . 1 1 1 A 26 26 PHE CA C 26 60.798 61.177 -0.379 1
1 199 . 1 1 1 A 26 26 PHE CB C 26 38.969 38.785 0.184 1
1 205 . 1 1 1 A 26 26 PHE N N 26 121.919 120.953 0.966 1
1 206 . 1 1 1 A 27 27 GLU H H 27 7.839 8.793 -0.954 1
1 207 . 1 1 1 A 27 27 GLU HA H 27 3.952 4.182 -0.230 1
1 212 . 1 1 1 A 27 27 GLU C C 27 178.335 178.602 -0.267 1
1 213 . 1 1 1 A 27 27 GLU CA C 27 58.650 59.224 -0.574 1
1 214 . 1 1 1 A 27 27 GLU CB C 27 29.772 28.766 1.006 1
1 216 . 1 1 1 A 27 27 GLU N N 27 115.144 117.582 -2.438 1
1 217 . 1 1 1 A 28 28 ARG H H 28 7.573 7.882 -0.309 1
1 218 . 1 1 1 A 28 28 ARG HA H 28 4.109 4.241 -0.132 1
1 225 . 1 1 1 A 28 28 ARG C C 28 177.059 175.650 1.409 1
1 226 . 1 1 1 A 28 28 ARG CA C 28 58.740 57.694 1.046 1
1 227 . 1 1 1 A 28 28 ARG CB C 28 30.995 31.552 -0.557 1
1 230 . 1 1 1 A 28 28 ARG N N 28 120.497 120.223 0.274 1
1 231 . 1 1 1 A 29 29 THR H H 29 8.786 7.655 1.131 1
1 232 . 1 1 1 A 29 29 THR HA H 29 4.291 4.526 -0.235 1
1 237 . 1 1 1 A 29 29 THR C C 29 170.391 173.604 -3.213 1
1 238 . 1 1 1 A 29 29 THR CA C 29 59.674 60.279 -0.605 1
1 239 . 1 1 1 A 29 29 THR CB C 29 68.880 71.471 -2.591 1
1 241 . 1 1 1 A 29 29 THR N N 29 114.915 111.847 3.068 1
1 242 . 1 1 1 A 30 30 HIS H H 30 8.292 8.478 -0.186 1
1 243 . 1 1 1 A 30 30 HIS HA H 30 4.420 3.509 0.911 1
1 248 . 1 1 1 A 30 30 HIS C C 30 174.569 174.350 0.219 1
1 249 . 1 1 1 A 30 30 HIS CA C 30 54.798 56.915 -2.117 1
1 250 . 1 1 1 A 30 30 HIS CB C 30 30.629 29.115 1.514 1
1 253 . 1 1 1 A 30 30 HIS N N 30 122.126 125.525 -3.399 1
1 254 . 1 1 1 A 31 31 TYR H H 31 8.179 7.352 0.827 1
1 255 . 1 1 1 A 31 31 TYR HA H 31 4.731 4.926 -0.195 1
1 262 . 1 1 1 A 31 31 TYR C C 31 172.551 172.925 -0.374 1
1 263 . 1 1 1 A 31 31 TYR CA C 31 55.259 55.047 0.212 1
1 264 . 1 1 1 A 31 31 TYR CB C 31 39.362 38.389 0.973 1
1 269 . 1 1 1 A 31 31 TYR N N 31 115.063 117.488 -2.425 1
1 270 . 1 1 1 A 32 32 PRO HA H 32 4.256 4.619 -0.363 1
1 277 . 1 1 1 A 32 32 PRO C C 32 177.388 176.999 0.389 1
1 278 . 1 1 1 A 32 32 PRO CA C 32 62.903 62.434 0.469 1
1 279 . 1 1 1 A 32 32 PRO CB C 32 30.896 31.463 -0.567 1
1 282 . 1 1 1 A 33 33 ASP H H 33 8.457 8.623 -0.166 1
1 283 . 1 1 1 A 33 33 ASP HA H 33 4.495 4.653 -0.158 1
1 286 . 1 1 1 A 33 33 ASP C C 33 175.824 177.587 -1.763 1
1 287 . 1 1 1 A 33 33 ASP CA C 33 52.776 54.564 -1.788 1
1 288 . 1 1 1 A 33 33 ASP CB C 33 41.174 41.867 -0.693 1
1 289 . 1 1 1 A 33 33 ASP N N 33 124.636 122.253 2.383 1
1 290 . 1 1 1 A 34 34 VAL H H 34 8.331 8.502 -0.171 1
1 291 . 1 1 1 A 34 34 VAL HA H 34 3.488 3.808 -0.320 1
1 299 . 1 1 1 A 34 34 VAL C C 34 176.133 177.462 -1.329 1
1 300 . 1 1 1 A 34 34 VAL CA C 34 66.176 65.148 1.028 1
1 301 . 1 1 1 A 34 34 VAL CB C 34 31.401 31.428 -0.027 1
1 304 . 1 1 1 A 34 34 VAL N N 34 117.908 123.815 -5.907 1
1 305 . 1 1 1 A 35 35 PHE H H 35 7.127 7.816 -0.689 1
1 306 . 1 1 1 A 35 35 PHE HA H 35 4.339 4.138 0.201 1
1 314 . 1 1 1 A 35 35 PHE C C 35 178.808 177.177 1.631 1
1 315 . 1 1 1 A 35 35 PHE CA C 35 60.335 61.526 -1.191 1
1 316 . 1 1 1 A 35 35 PHE CB C 35 37.927 37.757 0.170 1
1 322 . 1 1 1 A 35 35 PHE N N 35 120.263 120.242 0.021 1
1 323 . 1 1 1 A 36 36 ALA H H 36 8.428 7.870 0.558 1
1 324 . 1 1 1 A 36 36 ALA HA H 36 4.094 4.370 -0.276 1
1 328 . 1 1 1 A 36 36 ALA C C 36 181.812 179.118 2.694 1
1 329 . 1 1 1 A 36 36 ALA CA C 36 55.062 54.358 0.704 1
1 330 . 1 1 1 A 36 36 ALA CB C 36 18.484 19.319 -0.835 1
1 331 . 1 1 1 A 36 36 ALA N N 36 123.569 121.821 1.748 1
1 332 . 1 1 1 A 37 37 ARG H H 37 8.695 8.164 0.531 1
1 333 . 1 1 1 A 37 37 ARG HA H 37 3.920 4.019 -0.099 1
1 341 . 1 1 1 A 37 37 ARG C C 37 178.232 178.745 -0.513 1
1 342 . 1 1 1 A 37 37 ARG CA C 37 61.034 59.742 1.292 1
1 343 . 1 1 1 A 37 37 ARG CB C 37 31.263 29.796 1.467 1
1 346 . 1 1 1 A 37 37 ARG N N 37 117.907 117.387 0.520 1
1 348 . 1 1 1 A 38 38 GLU H H 38 8.531 8.286 0.245 1
1 349 . 1 1 1 A 38 38 GLU HA H 38 4.051 4.090 -0.039 1
1 354 . 1 1 1 A 38 38 GLU C C 38 179.940 179.437 0.503 1
1 355 . 1 1 1 A 38 38 GLU CA C 38 59.765 59.300 0.465 1
1 356 . 1 1 1 A 38 38 GLU CB C 38 29.456 29.231 0.225 1
1 358 . 1 1 1 A 38 38 GLU N N 38 119.688 119.487 0.201 1
1 359 . 1 1 1 A 39 39 ARG H H 39 8.096 8.064 0.032 1
1 360 . 1 1 1 A 39 39 ARG HA H 39 4.130 4.085 0.045 1
1 366 . 1 1 1 A 39 39 ARG C C 39 179.425 178.949 0.476 1
1 367 . 1 1 1 A 39 39 ARG CA C 39 59.368 59.028 0.340 1
1 368 . 1 1 1 A 39 39 ARG CB C 39 30.300 29.818 0.482 1
1 371 . 1 1 1 A 39 39 ARG N N 39 120.527 120.357 0.170 1
1 372 . 1 1 1 A 40 40 LEU H H 40 7.933 8.184 -0.251 1
1 373 . 1 1 1 A 40 40 LEU HA H 40 4.121 4.111 0.010 1
1 383 . 1 1 1 A 40 40 LEU C C 40 177.861 178.263 -0.402 1
1 384 . 1 1 1 A 40 40 LEU CA C 40 57.807 57.416 0.391 1
1 385 . 1 1 1 A 40 40 LEU CB C 40 42.446 41.438 1.008 1
1 389 . 1 1 1 A 40 40 LEU N N 40 121.371 121.489 -0.118 1
1 390 . 1 1 1 A 41 41 ALA H H 41 8.537 8.207 0.330 1
1 391 . 1 1 1 A 41 41 ALA HA H 41 4.102 4.125 -0.023 1
1 395 . 1 1 1 A 41 41 ALA C C 41 180.372 179.305 1.067 1
1 396 . 1 1 1 A 41 41 ALA CA C 41 56.060 55.445 0.615 1
1 397 . 1 1 1 A 41 41 ALA CB C 41 18.892 18.443 0.449 1
1 398 . 1 1 1 A 41 41 ALA N N 41 121.892 120.592 1.300 1
1 399 . 1 1 1 A 42 42 ALA H H 42 7.400 7.260 0.140 1
1 400 . 1 1 1 A 42 42 ALA HA H 42 4.242 4.215 0.027 1
1 404 . 1 1 1 A 42 42 ALA C C 42 179.631 180.177 -0.546 1
1 405 . 1 1 1 A 42 42 ALA CA C 42 53.951 53.506 0.445 1
1 406 . 1 1 1 A 42 42 ALA CB C 42 18.484 19.069 -0.585 1
1 407 . 1 1 1 A 42 42 ALA N N 42 116.807 119.682 -2.875 1
1 408 . 1 1 1 A 43 43 LYS H H 43 7.781 8.136 -0.355 1
1 409 . 1 1 1 A 43 43 LYS HA H 43 4.229 4.074 0.155 1
1 417 . 1 1 1 A 43 43 LYS C C 43 178.746 177.928 0.818 1
1 418 . 1 1 1 A 43 43 LYS CA C 43 58.710 58.579 0.131 1
1 419 . 1 1 1 A 43 43 LYS CB C 43 33.610 32.610 1.000 1
1 423 . 1 1 1 A 43 43 LYS N N 43 118.433 118.605 -0.172 1
1 424 . 1 1 1 A 44 44 ILE H H 44 8.094 7.425 0.669 1
1 425 . 1 1 1 A 44 44 ILE HA H 44 4.655 4.414 0.241 1
1 435 . 1 1 1 A 44 44 ILE C C 44 175.042 174.989 0.053 1
1 436 . 1 1 1 A 44 44 ILE CA C 44 60.606 60.027 0.579 1
1 437 . 1 1 1 A 44 44 ILE CB C 44 38.341 38.130 0.211 1
1 441 . 1 1 1 A 44 44 ILE N N 44 108.112 111.546 -3.434 1
1 442 . 1 1 1 A 45 45 ASP H H 45 7.811 7.948 -0.137 1
1 443 . 1 1 1 A 45 45 ASP HA H 45 4.333 4.216 0.117 1
1 446 . 1 1 1 A 45 45 ASP C C 45 173.848 174.576 -0.728 1
1 447 . 1 1 1 A 45 45 ASP CA C 45 55.065 55.321 -0.256 1
1 448 . 1 1 1 A 45 45 ASP CB C 45 39.031 38.992 0.039 1
1 449 . 1 1 1 A 45 45 ASP N N 45 121.798 118.527 3.271 1
1 450 . 1 1 1 A 46 46 LEU H H 46 7.550 8.061 -0.511 1
1 451 . 1 1 1 A 46 46 LEU HA H 46 4.990 4.834 0.156 1
1 461 . 1 1 1 A 46 46 LEU C C 46 173.536 174.222 -0.686 1
1 462 . 1 1 1 A 46 46 LEU CA C 46 51.364 51.287 0.077 1
1 463 . 1 1 1 A 46 46 LEU CB C 46 47.443 44.936 2.507 1
1 467 . 1 1 1 A 46 46 LEU N N 46 118.454 118.985 -0.531 1
1 468 . 1 1 1 A 47 47 PRO HA H 47 4.548 4.704 -0.156 1
1 475 . 1 1 1 A 47 47 PRO C C 47 178.417 177.882 0.535 1
1 476 . 1 1 1 A 47 47 PRO CA C 47 62.268 62.876 -0.608 1
1 477 . 1 1 1 A 47 47 PRO CB C 47 32.600 32.038 0.562 1
1 480 . 1 1 1 A 48 48 GLU H H 48 9.253 9.063 0.190 1
1 481 . 1 1 1 A 48 48 GLU HA H 48 3.799 4.032 -0.233 1
1 486 . 1 1 1 A 48 48 GLU C C 48 178.273 178.353 -0.080 1
1 487 . 1 1 1 A 48 48 GLU CA C 48 61.083 59.512 1.571 1
1 488 . 1 1 1 A 48 48 GLU CB C 48 28.815 29.372 -0.557 1
1 490 . 1 1 1 A 48 48 GLU N N 48 126.081 124.581 1.500 1
1 491 . 1 1 1 A 49 49 ALA H H 49 8.923 8.157 0.766 1
1 492 . 1 1 1 A 49 49 ALA HA H 49 4.128 4.141 -0.013 1
1 496 . 1 1 1 A 49 49 ALA C C 49 181.277 179.501 1.776 1
1 497 . 1 1 1 A 49 49 ALA CA C 49 55.569 55.050 0.519 1
1 498 . 1 1 1 A 49 49 ALA CB C 49 18.681 18.320 0.361 1
1 499 . 1 1 1 A 49 49 ALA N N 49 119.313 122.303 -2.990 1
1 500 . 1 1 1 A 50 50 ARG H H 50 7.417 8.255 -0.838 1
1 501 . 1 1 1 A 50 50 ARG HA H 50 4.348 4.186 0.162 1
1 508 . 1 1 1 A 50 50 ARG C C 50 179.425 178.676 0.749 1
1 509 . 1 1 1 A 50 50 ARG CA C 50 57.978 59.593 -1.615 1
1 510 . 1 1 1 A 50 50 ARG CB C 50 29.723 30.076 -0.353 1
1 513 . 1 1 1 A 50 50 ARG N N 50 114.567 117.817 -3.250 1
1 514 . 1 1 1 A 51 51 ILE H H 51 7.785 7.943 -0.158 1
1 515 . 1 1 1 A 51 51 ILE HA H 51 3.816 3.855 -0.039 1
1 525 . 1 1 1 A 51 51 ILE C C 51 178.088 178.139 -0.051 1
1 526 . 1 1 1 A 51 51 ILE CA C 51 65.848 65.468 0.380 1
1 527 . 1 1 1 A 51 51 ILE CB C 51 37.785 37.712 0.073 1
1 531 . 1 1 1 A 51 51 ILE N N 51 121.669 120.846 0.823 1
1 532 . 1 1 1 A 52 52 GLN H H 52 8.478 8.132 0.346 1
1 533 . 1 1 1 A 52 52 GLN HA H 52 4.423 4.021 0.402 1
1 539 . 1 1 1 A 52 52 GLN C C 52 179.364 179.049 0.315 1
1 540 . 1 1 1 A 52 52 GLN CA C 52 60.232 58.939 1.293 1
1 541 . 1 1 1 A 52 52 GLN CB C 52 28.945 28.404 0.541 1
1 543 . 1 1 1 A 52 52 GLN N N 52 118.943 118.081 0.862 1
1 545 . 1 1 1 A 53 53 VAL H H 53 7.582 8.031 -0.449 1
1 546 . 1 1 1 A 53 53 VAL HA H 53 3.842 3.679 0.163 1
1 554 . 1 1 1 A 53 53 VAL C C 53 177.800 178.215 -0.415 1
1 555 . 1 1 1 A 53 53 VAL CA C 53 66.633 66.777 -0.144 1
1 556 . 1 1 1 A 53 53 VAL CB C 53 32.241 31.817 0.424 1
1 559 . 1 1 1 A 53 53 VAL N N 53 120.375 120.361 0.014 1
1 560 . 1 1 1 A 54 54 TRP H H 54 8.390 8.451 -0.061 1
1 561 . 1 1 1 A 54 54 TRP HA H 54 4.050 4.114 -0.064 1
1 570 . 1 1 1 A 54 54 TRP C C 54 180.084 178.445 1.639 1
1 571 . 1 1 1 A 54 54 TRP CA C 54 63.229 61.089 2.140 1
1 572 . 1 1 1 A 54 54 TRP CB C 54 28.726 29.427 -0.701 1
1 578 . 1 1 1 A 54 54 TRP N N 54 121.414 121.289 0.125 1
1 580 . 1 1 1 A 55 55 PHE H H 55 9.127 8.578 0.549 1
1 581 . 1 1 1 A 55 55 PHE HA H 55 3.771 4.499 -0.728 1
1 589 . 1 1 1 A 55 55 PHE C C 55 178.170 178.198 -0.028 1
1 590 . 1 1 1 A 55 55 PHE CA C 55 63.826 62.080 1.746 1
1 591 . 1 1 1 A 55 55 PHE CB C 55 39.195 38.206 0.989 1
1 597 . 1 1 1 A 55 55 PHE N N 55 118.358 117.207 1.151 1
1 598 . 1 1 1 A 56 56 SER H H 56 8.267 8.455 -0.188 1
1 599 . 1 1 1 A 56 56 SER HA H 56 4.148 4.161 -0.013 1
1 602 . 1 1 1 A 56 56 SER C C 56 178.376 177.465 0.911 1
1 603 . 1 1 1 A 56 56 SER CA C 56 62.578 61.864 0.714 1
1 604 . 1 1 1 A 56 56 SER CB C 56 62.412 63.225 -0.813 1
1 605 . 1 1 1 A 56 56 SER N N 56 115.049 115.585 -0.536 1
1 606 . 1 1 1 A 57 57 ASN H H 57 8.231 8.274 -0.043 1
1 607 . 1 1 1 A 57 57 ASN HA H 57 4.411 4.418 -0.007 1
1 612 . 1 1 1 A 57 57 ASN C C 57 177.573 178.420 -0.847 1
1 613 . 1 1 1 A 57 57 ASN CA C 57 55.698 56.097 -0.399 1
1 614 . 1 1 1 A 57 57 ASN CB C 57 37.827 37.821 0.006 1
1 615 . 1 1 1 A 57 57 ASN N N 57 120.846 120.306 0.540 1
1 617 . 1 1 1 A 58 58 ARG H H 58 8.531 7.349 1.182 1
1 618 . 1 1 1 A 58 58 ARG HA H 58 3.533 3.583 -0.050 1
1 626 . 1 1 1 A 58 58 ARG C C 58 179.919 179.326 0.593 1
1 627 . 1 1 1 A 58 58 ARG CA C 58 56.451 59.529 -3.078 1
1 628 . 1 1 1 A 58 58 ARG CB C 58 27.981 29.485 -1.504 1
1 631 . 1 1 1 A 58 58 ARG N N 58 124.704 119.979 4.725 1
1 633 . 1 1 1 A 59 59 ARG H H 59 8.496 8.019 0.477 1
1 634 . 1 1 1 A 59 59 ARG HA H 59 4.072 4.235 -0.163 1
1 641 . 1 1 1 A 59 59 ARG C C 59 178.520 179.411 -0.891 1
1 642 . 1 1 1 A 59 59 ARG CA C 59 60.970 59.715 1.255 1
1 643 . 1 1 1 A 59 59 ARG CB C 59 31.601 29.849 1.752 1
1 646 . 1 1 1 A 59 59 ARG N N 59 120.108 119.608 0.500 1
1 647 . 1 1 1 A 60 60 ALA H H 60 7.487 7.421 0.066 1
1 648 . 1 1 1 A 60 60 ALA HA H 60 4.197 4.098 0.099 1
1 652 . 1 1 1 A 60 60 ALA C C 60 180.475 180.045 0.430 1
1 653 . 1 1 1 A 60 60 ALA CA C 60 55.547 54.658 0.889 1
1 654 . 1 1 1 A 60 60 ALA CB C 60 17.635 18.312 -0.677 1
1 655 . 1 1 1 A 60 60 ALA N N 60 121.949 121.439 0.510 1
1 656 . 1 1 1 A 61 61 LYS H H 61 7.733 8.110 -0.377 1
1 657 . 1 1 1 A 61 61 LYS HA H 61 3.927 4.018 -0.091 1
1 666 . 1 1 1 A 61 61 LYS C C 61 177.656 178.617 -0.961 1
1 667 . 1 1 1 A 61 61 LYS CA C 61 59.590 58.595 0.995 1
1 668 . 1 1 1 A 61 61 LYS CB C 61 32.903 32.050 0.853 1
1 672 . 1 1 1 A 61 61 LYS N N 61 120.311 117.814 2.497 1
1 673 . 1 1 1 A 62 62 TRP H H 62 8.235 8.198 0.037 1
1 674 . 1 1 1 A 62 62 TRP HA H 62 4.475 4.277 0.198 1
1 683 . 1 1 1 A 62 62 TRP C C 62 178.088 178.302 -0.214 1
1 684 . 1 1 1 A 62 62 TRP CA C 62 61.043 60.495 0.548 1
1 685 . 1 1 1 A 62 62 TRP CB C 62 29.113 29.531 -0.418 1
1 691 . 1 1 1 A 62 62 TRP N N 62 120.161 121.933 -1.772 1
1 693 . 1 1 1 A 63 63 ARG H H 63 8.579 8.712 -0.133 1
1 694 . 1 1 1 A 63 63 ARG HA H 63 3.762 3.784 -0.022 1
1 701 . 1 1 1 A 63 63 ARG C C 63 179.220 178.771 0.449 1
1 702 . 1 1 1 A 63 63 ARG CA C 63 59.644 59.276 0.368 1
1 703 . 1 1 1 A 63 63 ARG CB C 63 30.498 29.804 0.694 1
1 706 . 1 1 1 A 63 63 ARG N N 63 117.951 119.373 -1.422 1
1 707 . 1 1 1 A 64 64 ARG H H 64 7.754 7.679 0.075 1
1 708 . 1 1 1 A 64 64 ARG HA H 64 4.075 4.039 0.036 1
1 715 . 1 1 1 A 64 64 ARG C C 64 178.643 178.497 0.146 1
1 716 . 1 1 1 A 64 64 ARG CA C 64 59.313 59.009 0.304 1
1 717 . 1 1 1 A 64 64 ARG CB C 64 30.254 29.821 0.433 1
1 720 . 1 1 1 A 64 64 ARG N N 64 119.265 118.818 0.447 1
1 721 . 1 1 1 A 65 65 GLU H H 65 8.134 7.982 0.152 1
1 722 . 1 1 1 A 65 65 GLU HA H 65 3.988 4.052 -0.064 1
1 727 . 1 1 1 A 65 65 GLU C C 65 178.890 178.680 0.210 1
1 728 . 1 1 1 A 65 65 GLU CA C 65 58.891 59.075 -0.184 1
1 729 . 1 1 1 A 65 65 GLU CB C 65 29.228 29.632 -0.404 1
1 731 . 1 1 1 A 65 65 GLU N N 65 119.336 119.306 0.030 1
1 732 . 1 1 1 A 66 66 GLU H H 66 8.212 7.945 0.267 1
1 733 . 1 1 1 A 66 66 GLU HA H 66 3.804 3.747 0.057 1
1 738 . 1 1 1 A 66 66 GLU C C 66 178.273 178.659 -0.386 1
1 739 . 1 1 1 A 66 66 GLU CA C 66 58.714 59.372 -0.658 1
1 740 . 1 1 1 A 66 66 GLU CB C 66 29.493 28.841 0.652 1
1 742 . 1 1 1 A 66 66 GLU N N 66 121.135 120.328 0.807 1
1 743 . 1 1 1 A 67 67 LYS H H 67 7.663 7.726 -0.063 1
1 744 . 1 1 1 A 67 67 LYS HA H 67 4.044 4.011 0.033 1
1 752 . 1 1 1 A 67 67 LYS C C 67 178.787 178.793 -0.006 1
1 753 . 1 1 1 A 67 67 LYS CA C 67 58.801 59.326 -0.525 1
1 754 . 1 1 1 A 67 67 LYS CB C 67 32.239 32.172 0.067 1
1 758 . 1 1 1 A 67 67 LYS N N 67 119.200 119.449 -0.249 1
1 759 . 1 1 1 A 68 68 LEU H H 68 7.631 8.190 -0.559 1
1 760 . 1 1 1 A 68 68 LEU HA H 68 4.155 3.918 0.237 1
1 770 . 1 1 1 A 68 68 LEU C C 68 179.055 179.423 -0.368 1
1 771 . 1 1 1 A 68 68 LEU CA C 68 56.903 57.630 -0.727 1
1 772 . 1 1 1 A 68 68 LEU CB C 68 41.850 41.523 0.327 1
1 776 . 1 1 1 A 68 68 LEU N N 68 118.976 119.635 -0.659 1
1 777 . 1 1 1 A 69 69 ARG H H 69 7.900 7.564 0.336 1
1 778 . 1 1 1 A 69 69 ARG HA H 69 4.089 3.969 0.120 1
1 785 . 1 1 1 A 69 69 ARG C C 69 177.985 178.491 -0.506 1
1 786 . 1 1 1 A 69 69 ARG CA C 69 58.551 58.860 -0.309 1
1 787 . 1 1 1 A 69 69 ARG CB C 69 30.430 29.661 0.769 1
1 790 . 1 1 1 A 69 69 ARG N N 69 119.387 121.009 -1.622 1
1 791 . 1 1 1 A 70 70 ASN H H 70 8.088 8.217 -0.129 1
1 792 . 1 1 1 A 70 70 ASN HA H 70 4.633 4.441 0.192 1
1 797 . 1 1 1 A 70 70 ASN C C 70 176.194 177.330 -1.136 1
1 798 . 1 1 1 A 70 70 ASN CA C 70 54.463 56.558 -2.095 1
1 799 . 1 1 1 A 70 70 ASN CB C 70 38.805 38.399 0.406 1
1 800 . 1 1 1 A 70 70 ASN N N 70 117.289 118.450 -1.161 1
1 802 . 1 1 1 A 71 71 GLN H H 71 8.017 8.657 -0.640 1
1 803 . 1 1 1 A 71 71 GLN HA H 71 4.263 4.066 0.197 1
1 810 . 1 1 1 A 71 71 GLN C C 71 176.750 177.942 -1.192 1
1 811 . 1 1 1 A 71 71 GLN CA C 71 57.031 57.963 -0.932 1
1 812 . 1 1 1 A 71 71 GLN CB C 71 29.122 27.194 1.928 1
1 814 . 1 1 1 A 71 71 GLN N N 71 119.838 116.667 3.171 1
1 816 . 1 1 1 A 72 72 ARG H H 72 8.125 7.859 0.266 1
1 817 . 1 1 1 A 72 72 ARG HA H 72 4.312 4.182 0.130 1
1 823 . 1 1 1 A 72 72 ARG C C 72 176.729 176.783 -0.054 1
1 824 . 1 1 1 A 72 72 ARG CA C 72 56.840 58.629 -1.789 1
1 825 . 1 1 1 A 72 72 ARG CB C 72 30.500 30.088 0.412 1
1 828 . 1 1 1 A 72 72 ARG N N 72 120.534 119.683 0.851 1
1 829 . 1 1 1 A 73 73 ARG H H 73 8.148 7.797 0.351 1
1 830 . 1 1 1 A 73 73 ARG HA H 73 4.412 4.093 0.319 1
1 836 . 1 1 1 A 73 73 ARG C C 73 176.552 175.061 1.491 1
1 837 . 1 1 1 A 73 73 ARG CA C 73 56.445 56.753 -0.308 1
1 838 . 1 1 1 A 73 73 ARG CB C 73 30.676 30.820 -0.144 1
1 841 . 1 1 1 A 73 73 ARG N N 73 121.356 119.961 1.395 1
1 842 . 1 1 1 A 74 74 GLN HA H 74 4.334 4.694 -0.360 1
1 846 . 1 1 1 A 74 74 GLN CA C 74 56.127 54.398 1.729 1
1 847 . 1 1 1 A 74 74 GLN CB C 74 29.362 30.297 -0.935 1
1 849 . 1 1 1 A 76 76 GLY HA2 H 76 4.168 4.028 0.140 1
1 850 . 1 1 1 A 76 76 GLY HA3 H 76 4.168 4.029 0.139 1
1 851 . 1 1 1 A 76 76 GLY CA C 76 44.736 45.053 -0.317 1
1 852 . 1 1 1 A 77 77 PRO HA H 77 4.502 4.644 -0.142 1
1 859 . 1 1 1 A 77 77 PRO CA C 77 63.330 62.450 0.880 1
1 860 . 1 1 1 A 77 77 PRO CB C 77 32.217 30.779 1.438 1
1 863 . 1 1 1 A 79 79 SER HA H 79 4.524 5.212 -0.688 1
1 865 . 1 1 1 A 79 79 SER C C 79 173.931 174.848 -0.917 1
1 866 . 1 1 1 A 79 79 SER CA C 79 58.409 56.613 1.796 1
1 867 . 1 1 1 A 79 79 SER CB C 79 64.147 65.860 -1.713 1
1 1 . 2 1 1 A 8 8 GLN H H 8 8.925 9.199 -0.274 1
1 2 . 2 1 1 A 8 8 GLN HA H 8 4.398 5.075 -0.677 1
1 8 . 2 1 1 A 8 8 GLN CA C 8 56.051 53.934 2.117 1
1 9 . 2 1 1 A 8 8 GLN CB C 8 29.491 31.918 -2.427 1
1 12 . 2 1 1 A 12 12 THR HA H 12 4.352 4.853 -0.501 1
1 17 . 2 1 1 A 12 12 THR CA C 12 61.819 61.073 0.746 1
1 18 . 2 1 1 A 12 12 THR CB C 12 69.783 70.959 -1.176 1
1 20 . 2 1 1 A 13 13 SER HA H 13 4.465 4.022 0.443 1
1 23 . 2 1 1 A 13 13 SER C C 13 173.828 175.528 -1.700 1
1 24 . 2 1 1 A 13 13 SER CA C 13 57.973 62.421 -4.448 1
1 25 . 2 1 1 A 13 13 SER CB C 13 64.246 62.679 1.567 1
1 26 . 2 1 1 A 14 14 PHE H H 14 8.322 7.831 0.491 1
1 27 . 2 1 1 A 14 14 PHE HA H 14 5.035 4.628 0.407 1
1 35 . 2 1 1 A 14 14 PHE C C 14 176.750 175.321 1.429 1
1 36 . 2 1 1 A 14 14 PHE CA C 14 56.624 58.568 -1.944 1
1 37 . 2 1 1 A 14 14 PHE CB C 14 41.174 39.576 1.598 1
1 43 . 2 1 1 A 14 14 PHE N N 14 121.036 119.233 1.803 1
1 44 . 2 1 1 A 15 15 THR H H 15 8.944 8.348 0.596 1
1 45 . 2 1 1 A 15 15 THR HA H 15 4.529 5.018 -0.489 1
1 50 . 2 1 1 A 15 15 THR C C 15 175.433 175.385 0.048 1
1 51 . 2 1 1 A 15 15 THR CA C 15 60.644 59.417 1.227 1
1 52 . 2 1 1 A 15 15 THR CB C 15 70.784 71.876 -1.092 1
1 54 . 2 1 1 A 15 15 THR N N 15 113.618 111.778 1.840 1
1 55 . 2 1 1 A 16 16 GLN H H 16 9.086 8.906 0.180 1
1 56 . 2 1 1 A 16 16 GLN HA H 16 4.016 4.087 -0.071 1
1 63 . 2 1 1 A 16 16 GLN C C 16 178.149 177.456 0.693 1
1 64 . 2 1 1 A 16 16 GLN CA C 16 59.283 59.130 0.153 1
1 65 . 2 1 1 A 16 16 GLN CB C 16 27.943 28.873 -0.930 1
1 67 . 2 1 1 A 16 16 GLN N N 16 121.415 120.583 0.832 1
1 69 . 2 1 1 A 17 17 GLU H H 17 8.837 8.652 0.185 1
1 70 . 2 1 1 A 17 17 GLU HA H 17 4.048 4.095 -0.047 1
1 75 . 2 1 1 A 17 17 GLU C C 17 180.248 178.914 1.334 1
1 76 . 2 1 1 A 17 17 GLU CA C 17 60.156 59.492 0.664 1
1 77 . 2 1 1 A 17 17 GLU CB C 17 29.125 29.165 -0.040 1
1 79 . 2 1 1 A 17 17 GLU N N 17 117.930 119.068 -1.138 1
1 80 . 2 1 1 A 18 18 GLN H H 18 7.738 8.324 -0.586 1
1 81 . 2 1 1 A 18 18 GLN HA H 18 3.809 4.262 -0.453 1
1 88 . 2 1 1 A 18 18 GLN C C 18 177.079 178.079 -1.000 1
1 89 . 2 1 1 A 18 18 GLN CA C 18 59.358 57.965 1.393 1
1 90 . 2 1 1 A 18 18 GLN CB C 18 27.338 29.226 -1.888 1
1 92 . 2 1 1 A 18 18 GLN N N 18 119.421 118.954 0.467 1
1 94 . 2 1 1 A 19 19 ILE H H 19 8.265 8.488 -0.223 1
1 95 . 2 1 1 A 19 19 ILE HA H 19 3.240 3.584 -0.344 1
1 105 . 2 1 1 A 19 19 ILE C C 19 177.409 177.850 -0.441 1
1 106 . 2 1 1 A 19 19 ILE CA C 19 64.693 65.065 -0.372 1
1 107 . 2 1 1 A 19 19 ILE CB C 19 37.544 37.499 0.045 1
1 111 . 2 1 1 A 19 19 ILE N N 19 118.326 120.628 -2.302 1
1 112 . 2 1 1 A 20 20 GLU H H 20 8.304 8.670 -0.366 1
1 113 . 2 1 1 A 20 20 GLU HA H 20 3.916 4.021 -0.105 1
1 118 . 2 1 1 A 20 20 GLU C C 20 179.281 178.209 1.072 1
1 119 . 2 1 1 A 20 20 GLU CA C 20 59.674 59.111 0.563 1
1 120 . 2 1 1 A 20 20 GLU CB C 20 29.369 29.273 0.096 1
1 122 . 2 1 1 A 20 20 GLU N N 20 117.948 119.870 -1.922 1
1 123 . 2 1 1 A 21 21 ALA H H 21 7.335 7.526 -0.191 1
1 124 . 2 1 1 A 21 21 ALA HA H 21 4.095 4.077 0.018 1
1 128 . 2 1 1 A 21 21 ALA C C 21 180.825 179.992 0.833 1
1 129 . 2 1 1 A 21 21 ALA CA C 21 54.885 54.274 0.611 1
1 130 . 2 1 1 A 21 21 ALA CB C 21 19.190 18.298 0.892 1
1 131 . 2 1 1 A 21 21 ALA N N 21 120.460 122.245 -1.785 1
1 132 . 2 1 1 A 22 22 LEU H H 22 8.100 8.044 0.056 1
1 133 . 2 1 1 A 22 22 LEU HA H 22 3.490 3.783 -0.293 1
1 143 . 2 1 1 A 22 22 LEU C C 22 177.861 178.663 -0.802 1
1 144 . 2 1 1 A 22 22 LEU CA C 22 58.530 56.922 1.608 1
1 145 . 2 1 1 A 22 22 LEU CB C 22 37.691 40.392 -2.701 1
1 149 . 2 1 1 A 22 22 LEU N N 22 122.412 119.706 2.706 1
1 150 . 2 1 1 A 23 23 GLU H H 23 8.534 8.256 0.278 1
1 151 . 2 1 1 A 23 23 GLU HA H 23 4.360 4.080 0.280 1
1 156 . 2 1 1 A 23 23 GLU C C 23 180.413 179.755 0.658 1
1 157 . 2 1 1 A 23 23 GLU CA C 23 59.072 59.633 -0.561 1
1 158 . 2 1 1 A 23 23 GLU CB C 23 28.905 29.777 -0.872 1
1 160 . 2 1 1 A 23 23 GLU N N 23 118.309 119.753 -1.444 1
1 161 . 2 1 1 A 24 24 LYS H H 24 7.898 7.813 0.085 1
1 162 . 2 1 1 A 24 24 LYS HA H 24 4.170 4.016 0.154 1
1 170 . 2 1 1 A 24 24 LYS C C 24 179.672 178.831 0.841 1
1 171 . 2 1 1 A 24 24 LYS CA C 24 59.144 59.446 -0.302 1
1 172 . 2 1 1 A 24 24 LYS CB C 24 32.082 32.107 -0.025 1
1 176 . 2 1 1 A 24 24 LYS N N 24 119.449 120.459 -1.010 1
1 177 . 2 1 1 A 25 25 GLU H H 25 7.887 7.514 0.373 1
1 178 . 2 1 1 A 25 25 GLU HA H 25 4.596 4.134 0.462 1
1 183 . 2 1 1 A 25 25 GLU C C 25 177.923 179.265 -1.342 1
1 184 . 2 1 1 A 25 25 GLU CA C 25 58.799 59.144 -0.345 1
1 185 . 2 1 1 A 25 25 GLU CB C 25 28.787 29.316 -0.529 1
1 187 . 2 1 1 A 25 25 GLU N N 25 121.941 119.100 2.841 1
1 188 . 2 1 1 A 26 26 PHE H H 26 8.843 8.008 0.835 1
1 189 . 2 1 1 A 26 26 PHE HA H 26 4.865 4.561 0.304 1
1 197 . 2 1 1 A 26 26 PHE C C 26 176.380 177.669 -1.289 1
1 198 . 2 1 1 A 26 26 PHE CA C 26 60.798 60.773 0.025 1
1 199 . 2 1 1 A 26 26 PHE CB C 26 38.969 39.044 -0.075 1
1 205 . 2 1 1 A 26 26 PHE N N 26 121.919 120.795 1.124 1
1 206 . 2 1 1 A 27 27 GLU H H 27 7.839 8.449 -0.610 1
1 207 . 2 1 1 A 27 27 GLU HA H 27 3.952 4.067 -0.115 1
1 212 . 2 1 1 A 27 27 GLU C C 27 178.335 178.539 -0.204 1
1 213 . 2 1 1 A 27 27 GLU CA C 27 58.650 60.318 -1.668 1
1 214 . 2 1 1 A 27 27 GLU CB C 27 29.772 29.420 0.352 1
1 216 . 2 1 1 A 27 27 GLU N N 27 115.144 117.640 -2.496 1
1 217 . 2 1 1 A 28 28 ARG H H 28 7.573 7.319 0.254 1
1 218 . 2 1 1 A 28 28 ARG HA H 28 4.109 4.177 -0.068 1
1 225 . 2 1 1 A 28 28 ARG C C 28 177.059 175.826 1.233 1
1 226 . 2 1 1 A 28 28 ARG CA C 28 58.740 57.990 0.750 1
1 227 . 2 1 1 A 28 28 ARG CB C 28 30.995 31.773 -0.778 1
1 230 . 2 1 1 A 28 28 ARG N N 28 120.497 119.160 1.337 1
1 231 . 2 1 1 A 29 29 THR H H 29 8.786 7.678 1.108 1
1 232 . 2 1 1 A 29 29 THR HA H 29 4.291 4.478 -0.187 1
1 237 . 2 1 1 A 29 29 THR C C 29 170.391 173.616 -3.225 1
1 238 . 2 1 1 A 29 29 THR CA C 29 59.674 60.611 -0.937 1
1 239 . 2 1 1 A 29 29 THR CB C 29 68.880 71.433 -2.553 1
1 241 . 2 1 1 A 29 29 THR N N 29 114.915 111.742 3.173 1
1 242 . 2 1 1 A 30 30 HIS H H 30 8.292 8.476 -0.184 1
1 243 . 2 1 1 A 30 30 HIS HA H 30 4.420 3.255 1.165 1
1 248 . 2 1 1 A 30 30 HIS C C 30 174.569 174.287 0.282 1
1 249 . 2 1 1 A 30 30 HIS CA C 30 54.798 56.995 -2.197 1
1 250 . 2 1 1 A 30 30 HIS CB C 30 30.629 28.958 1.671 1
1 253 . 2 1 1 A 30 30 HIS N N 30 122.126 125.016 -2.890 1
1 254 . 2 1 1 A 31 31 TYR H H 31 8.179 7.277 0.902 1
1 255 . 2 1 1 A 31 31 TYR HA H 31 4.731 4.894 -0.163 1
1 262 . 2 1 1 A 31 31 TYR C C 31 172.551 173.014 -0.463 1
1 263 . 2 1 1 A 31 31 TYR CA C 31 55.259 54.987 0.272 1
1 264 . 2 1 1 A 31 31 TYR CB C 31 39.362 38.344 1.018 1
1 269 . 2 1 1 A 31 31 TYR N N 31 115.063 117.704 -2.641 1
1 270 . 2 1 1 A 32 32 PRO HA H 32 4.256 4.615 -0.359 1
1 277 . 2 1 1 A 32 32 PRO C C 32 177.388 176.977 0.411 1
1 278 . 2 1 1 A 32 32 PRO CA C 32 62.903 62.382 0.521 1
1 279 . 2 1 1 A 32 32 PRO CB C 32 30.896 31.292 -0.396 1
1 282 . 2 1 1 A 33 33 ASP H H 33 8.457 8.647 -0.190 1
1 283 . 2 1 1 A 33 33 ASP HA H 33 4.495 4.636 -0.141 1
1 286 . 2 1 1 A 33 33 ASP C C 33 175.824 177.524 -1.700 1
1 287 . 2 1 1 A 33 33 ASP CA C 33 52.776 54.551 -1.775 1
1 288 . 2 1 1 A 33 33 ASP CB C 33 41.174 41.856 -0.682 1
1 289 . 2 1 1 A 33 33 ASP N N 33 124.636 122.707 1.929 1
1 290 . 2 1 1 A 34 34 VAL H H 34 8.331 8.485 -0.154 1
1 291 . 2 1 1 A 34 34 VAL HA H 34 3.488 3.811 -0.323 1
1 299 . 2 1 1 A 34 34 VAL C C 34 176.133 177.453 -1.320 1
1 300 . 2 1 1 A 34 34 VAL CA C 34 66.176 65.159 1.017 1
1 301 . 2 1 1 A 34 34 VAL CB C 34 31.401 31.392 0.009 1
1 304 . 2 1 1 A 34 34 VAL N N 34 117.908 123.784 -5.876 1
1 305 . 2 1 1 A 35 35 PHE H H 35 7.127 7.818 -0.691 1
1 306 . 2 1 1 A 35 35 PHE HA H 35 4.339 4.175 0.164 1
1 314 . 2 1 1 A 35 35 PHE C C 35 178.808 177.040 1.768 1
1 315 . 2 1 1 A 35 35 PHE CA C 35 60.335 61.304 -0.969 1
1 316 . 2 1 1 A 35 35 PHE CB C 35 37.927 37.842 0.085 1
1 322 . 2 1 1 A 35 35 PHE N N 35 120.263 120.378 -0.115 1
1 323 . 2 1 1 A 36 36 ALA H H 36 8.428 7.983 0.445 1
1 324 . 2 1 1 A 36 36 ALA HA H 36 4.094 4.424 -0.330 1
1 328 . 2 1 1 A 36 36 ALA C C 36 181.812 179.092 2.720 1
1 329 . 2 1 1 A 36 36 ALA CA C 36 55.062 54.275 0.787 1
1 330 . 2 1 1 A 36 36 ALA CB C 36 18.484 19.512 -1.028 1
1 331 . 2 1 1 A 36 36 ALA N N 36 123.569 121.806 1.763 1
1 332 . 2 1 1 A 37 37 ARG H H 37 8.695 8.119 0.576 1
1 333 . 2 1 1 A 37 37 ARG HA H 37 3.920 4.027 -0.107 1
1 341 . 2 1 1 A 37 37 ARG C C 37 178.232 178.823 -0.591 1
1 342 . 2 1 1 A 37 37 ARG CA C 37 61.034 59.723 1.311 1
1 343 . 2 1 1 A 37 37 ARG CB C 37 31.263 29.852 1.411 1
1 346 . 2 1 1 A 37 37 ARG N N 37 117.907 117.616 0.291 1
1 348 . 2 1 1 A 38 38 GLU H H 38 8.531 8.291 0.240 1
1 349 . 2 1 1 A 38 38 GLU HA H 38 4.051 4.071 -0.020 1
1 354 . 2 1 1 A 38 38 GLU C C 38 179.940 179.314 0.626 1
1 355 . 2 1 1 A 38 38 GLU CA C 38 59.765 59.300 0.465 1
1 356 . 2 1 1 A 38 38 GLU CB C 38 29.456 29.143 0.313 1
1 358 . 2 1 1 A 38 38 GLU N N 38 119.688 119.494 0.194 1
1 359 . 2 1 1 A 39 39 ARG H H 39 8.096 8.047 0.049 1
1 360 . 2 1 1 A 39 39 ARG HA H 39 4.130 4.106 0.024 1
1 366 . 2 1 1 A 39 39 ARG C C 39 179.425 178.982 0.443 1
1 367 . 2 1 1 A 39 39 ARG CA C 39 59.368 58.824 0.544 1
1 368 . 2 1 1 A 39 39 ARG CB C 39 30.300 29.748 0.552 1
1 371 . 2 1 1 A 39 39 ARG N N 39 120.527 120.176 0.351 1
1 372 . 2 1 1 A 40 40 LEU H H 40 7.933 8.245 -0.312 1
1 373 . 2 1 1 A 40 40 LEU HA H 40 4.121 4.088 0.033 1
1 383 . 2 1 1 A 40 40 LEU C C 40 177.861 178.280 -0.419 1
1 384 . 2 1 1 A 40 40 LEU CA C 40 57.807 57.559 0.248 1
1 385 . 2 1 1 A 40 40 LEU CB C 40 42.446 41.371 1.075 1
1 389 . 2 1 1 A 40 40 LEU N N 40 121.371 121.394 -0.023 1
1 390 . 2 1 1 A 41 41 ALA H H 41 8.537 8.539 -0.002 1
1 391 . 2 1 1 A 41 41 ALA HA H 41 4.102 4.187 -0.085 1
1 395 . 2 1 1 A 41 41 ALA C C 41 180.372 179.185 1.187 1
1 396 . 2 1 1 A 41 41 ALA CA C 41 56.060 55.423 0.637 1
1 397 . 2 1 1 A 41 41 ALA CB C 41 18.892 18.449 0.443 1
1 398 . 2 1 1 A 41 41 ALA N N 41 121.892 120.482 1.410 1
1 399 . 2 1 1 A 42 42 ALA H H 42 7.400 7.294 0.106 1
1 400 . 2 1 1 A 42 42 ALA HA H 42 4.242 4.213 0.029 1
1 404 . 2 1 1 A 42 42 ALA C C 42 179.631 180.246 -0.615 1
1 405 . 2 1 1 A 42 42 ALA CA C 42 53.951 53.156 0.795 1
1 406 . 2 1 1 A 42 42 ALA CB C 42 18.484 19.089 -0.605 1
1 407 . 2 1 1 A 42 42 ALA N N 42 116.807 119.502 -2.695 1
1 408 . 2 1 1 A 43 43 LYS H H 43 7.781 8.311 -0.530 1
1 409 . 2 1 1 A 43 43 LYS HA H 43 4.229 4.069 0.160 1
1 417 . 2 1 1 A 43 43 LYS C C 43 178.746 177.997 0.749 1
1 418 . 2 1 1 A 43 43 LYS CA C 43 58.710 58.569 0.141 1
1 419 . 2 1 1 A 43 43 LYS CB C 43 33.610 32.652 0.958 1
1 423 . 2 1 1 A 43 43 LYS N N 43 118.433 118.108 0.325 1
1 424 . 2 1 1 A 44 44 ILE H H 44 8.094 7.526 0.568 1
1 425 . 2 1 1 A 44 44 ILE HA H 44 4.655 4.362 0.293 1
1 435 . 2 1 1 A 44 44 ILE C C 44 175.042 175.412 -0.370 1
1 436 . 2 1 1 A 44 44 ILE CA C 44 60.606 60.084 0.522 1
1 437 . 2 1 1 A 44 44 ILE CB C 44 38.341 38.644 -0.303 1
1 441 . 2 1 1 A 44 44 ILE N N 44 108.112 111.453 -3.341 1
1 442 . 2 1 1 A 45 45 ASP H H 45 7.811 8.183 -0.372 1
1 443 . 2 1 1 A 45 45 ASP HA H 45 4.333 4.236 0.097 1
1 446 . 2 1 1 A 45 45 ASP C C 45 173.848 174.559 -0.711 1
1 447 . 2 1 1 A 45 45 ASP CA C 45 55.065 55.045 0.020 1
1 448 . 2 1 1 A 45 45 ASP CB C 45 39.031 39.591 -0.560 1
1 449 . 2 1 1 A 45 45 ASP N N 45 121.798 121.924 -0.126 1
1 450 . 2 1 1 A 46 46 LEU H H 46 7.550 8.061 -0.511 1
1 451 . 2 1 1 A 46 46 LEU HA H 46 4.990 4.834 0.156 1
1 461 . 2 1 1 A 46 46 LEU C C 46 173.536 174.411 -0.875 1
1 462 . 2 1 1 A 46 46 LEU CA C 46 51.364 51.297 0.067 1
1 463 . 2 1 1 A 46 46 LEU CB C 46 47.443 44.874 2.569 1
1 467 . 2 1 1 A 46 46 LEU N N 46 118.454 118.922 -0.468 1
1 468 . 2 1 1 A 47 47 PRO HA H 47 4.548 4.709 -0.161 1
1 475 . 2 1 1 A 47 47 PRO C C 47 178.417 177.868 0.549 1
1 476 . 2 1 1 A 47 47 PRO CA C 47 62.268 62.840 -0.572 1
1 477 . 2 1 1 A 47 47 PRO CB C 47 32.600 32.049 0.551 1
1 480 . 2 1 1 A 48 48 GLU H H 48 9.253 9.062 0.191 1
1 481 . 2 1 1 A 48 48 GLU HA H 48 3.799 4.016 -0.217 1
1 486 . 2 1 1 A 48 48 GLU C C 48 178.273 178.156 0.117 1
1 487 . 2 1 1 A 48 48 GLU CA C 48 61.083 59.620 1.463 1
1 488 . 2 1 1 A 48 48 GLU CB C 48 28.815 29.333 -0.518 1
1 490 . 2 1 1 A 48 48 GLU N N 48 126.081 124.567 1.514 1
1 491 . 2 1 1 A 49 49 ALA H H 49 8.923 8.261 0.662 1
1 492 . 2 1 1 A 49 49 ALA HA H 49 4.128 4.105 0.023 1
1 496 . 2 1 1 A 49 49 ALA C C 49 181.277 179.444 1.833 1
1 497 . 2 1 1 A 49 49 ALA CA C 49 55.569 55.191 0.378 1
1 498 . 2 1 1 A 49 49 ALA CB C 49 18.681 18.336 0.345 1
1 499 . 2 1 1 A 49 49 ALA N N 49 119.313 122.243 -2.930 1
1 500 . 2 1 1 A 50 50 ARG H H 50 7.417 8.213 -0.796 1
1 501 . 2 1 1 A 50 50 ARG HA H 50 4.348 4.199 0.149 1
1 508 . 2 1 1 A 50 50 ARG C C 50 179.425 178.756 0.669 1
1 509 . 2 1 1 A 50 50 ARG CA C 50 57.978 59.646 -1.668 1
1 510 . 2 1 1 A 50 50 ARG CB C 50 29.723 30.149 -0.426 1
1 513 . 2 1 1 A 50 50 ARG N N 50 114.567 117.705 -3.138 1
1 514 . 2 1 1 A 51 51 ILE H H 51 7.785 7.914 -0.129 1
1 515 . 2 1 1 A 51 51 ILE HA H 51 3.816 3.826 -0.010 1
1 525 . 2 1 1 A 51 51 ILE C C 51 178.088 178.164 -0.076 1
1 526 . 2 1 1 A 51 51 ILE CA C 51 65.848 65.361 0.487 1
1 527 . 2 1 1 A 51 51 ILE CB C 51 37.785 37.734 0.051 1
1 531 . 2 1 1 A 51 51 ILE N N 51 121.669 120.807 0.862 1
1 532 . 2 1 1 A 52 52 GLN H H 52 8.478 7.729 0.749 1
1 533 . 2 1 1 A 52 52 GLN HA H 52 4.423 4.073 0.350 1
1 539 . 2 1 1 A 52 52 GLN C C 52 179.364 178.860 0.504 1
1 540 . 2 1 1 A 52 52 GLN CA C 52 60.232 58.970 1.262 1
1 541 . 2 1 1 A 52 52 GLN CB C 52 28.945 28.402 0.543 1
1 543 . 2 1 1 A 52 52 GLN N N 52 118.943 118.022 0.921 1
1 545 . 2 1 1 A 53 53 VAL H H 53 7.582 8.284 -0.702 1
1 546 . 2 1 1 A 53 53 VAL HA H 53 3.842 3.695 0.147 1
1 554 . 2 1 1 A 53 53 VAL C C 53 177.800 178.105 -0.305 1
1 555 . 2 1 1 A 53 53 VAL CA C 53 66.633 66.549 0.084 1
1 556 . 2 1 1 A 53 53 VAL CB C 53 32.241 31.849 0.392 1
1 559 . 2 1 1 A 53 53 VAL N N 53 120.375 120.286 0.089 1
1 560 . 2 1 1 A 54 54 TRP H H 54 8.390 8.453 -0.063 1
1 561 . 2 1 1 A 54 54 TRP HA H 54 4.050 4.171 -0.121 1
1 570 . 2 1 1 A 54 54 TRP C C 54 180.084 177.587 2.497 1
1 571 . 2 1 1 A 54 54 TRP CA C 54 63.229 60.597 2.632 1
1 572 . 2 1 1 A 54 54 TRP CB C 54 28.726 29.655 -0.929 1
1 578 . 2 1 1 A 54 54 TRP N N 54 121.414 121.140 0.274 1
1 580 . 2 1 1 A 55 55 PHE H H 55 9.127 7.985 1.142 1
1 581 . 2 1 1 A 55 55 PHE HA H 55 3.771 4.763 -0.992 1
1 589 . 2 1 1 A 55 55 PHE C C 55 178.170 178.308 -0.138 1
1 590 . 2 1 1 A 55 55 PHE CA C 55 63.826 60.823 3.003 1
1 591 . 2 1 1 A 55 55 PHE CB C 55 39.195 39.816 -0.621 1
1 597 . 2 1 1 A 55 55 PHE N N 55 118.358 116.104 2.254 1
1 598 . 2 1 1 A 56 56 SER H H 56 8.267 8.459 -0.192 1
1 599 . 2 1 1 A 56 56 SER HA H 56 4.148 4.214 -0.066 1
1 602 . 2 1 1 A 56 56 SER C C 56 178.376 177.209 1.167 1
1 603 . 2 1 1 A 56 56 SER CA C 56 62.578 61.524 1.054 1
1 604 . 2 1 1 A 56 56 SER CB C 56 62.412 63.119 -0.707 1
1 605 . 2 1 1 A 56 56 SER N N 56 115.049 115.978 -0.929 1
1 606 . 2 1 1 A 57 57 ASN H H 57 8.231 8.104 0.127 1
1 607 . 2 1 1 A 57 57 ASN HA H 57 4.411 4.516 -0.105 1
1 612 . 2 1 1 A 57 57 ASN C C 57 177.573 178.322 -0.749 1
1 613 . 2 1 1 A 57 57 ASN CA C 57 55.698 56.036 -0.338 1
1 614 . 2 1 1 A 57 57 ASN CB C 57 37.827 37.947 -0.120 1
1 615 . 2 1 1 A 57 57 ASN N N 57 120.846 120.144 0.702 1
1 617 . 2 1 1 A 58 58 ARG H H 58 8.531 7.983 0.548 1
1 618 . 2 1 1 A 58 58 ARG HA H 58 3.533 3.664 -0.131 1
1 626 . 2 1 1 A 58 58 ARG C C 58 179.919 179.274 0.645 1
1 627 . 2 1 1 A 58 58 ARG CA C 58 56.451 59.776 -3.325 1
1 628 . 2 1 1 A 58 58 ARG CB C 58 27.981 29.598 -1.617 1
1 631 . 2 1 1 A 58 58 ARG N N 58 124.704 119.677 5.027 1
1 633 . 2 1 1 A 59 59 ARG H H 59 8.496 8.034 0.462 1
1 634 . 2 1 1 A 59 59 ARG HA H 59 4.072 4.254 -0.182 1
1 641 . 2 1 1 A 59 59 ARG C C 59 178.520 179.466 -0.946 1
1 642 . 2 1 1 A 59 59 ARG CA C 59 60.970 59.553 1.417 1
1 643 . 2 1 1 A 59 59 ARG CB C 59 31.601 29.968 1.633 1
1 646 . 2 1 1 A 59 59 ARG N N 59 120.108 119.536 0.572 1
1 647 . 2 1 1 A 60 60 ALA H H 60 7.487 7.805 -0.318 1
1 648 . 2 1 1 A 60 60 ALA HA H 60 4.197 4.127 0.070 1
1 652 . 2 1 1 A 60 60 ALA C C 60 180.475 179.876 0.599 1
1 653 . 2 1 1 A 60 60 ALA CA C 60 55.547 54.712 0.835 1
1 654 . 2 1 1 A 60 60 ALA CB C 60 17.635 18.413 -0.778 1
1 655 . 2 1 1 A 60 60 ALA N N 60 121.949 121.715 0.234 1
1 656 . 2 1 1 A 61 61 LYS H H 61 7.733 7.749 -0.016 1
1 657 . 2 1 1 A 61 61 LYS HA H 61 3.927 4.035 -0.108 1
1 666 . 2 1 1 A 61 61 LYS C C 61 177.656 178.593 -0.937 1
1 667 . 2 1 1 A 61 61 LYS CA C 61 59.590 58.620 0.970 1
1 668 . 2 1 1 A 61 61 LYS CB C 61 32.903 31.987 0.916 1
1 672 . 2 1 1 A 61 61 LYS N N 61 120.311 117.937 2.374 1
1 673 . 2 1 1 A 62 62 TRP H H 62 8.235 8.461 -0.226 1
1 674 . 2 1 1 A 62 62 TRP HA H 62 4.475 4.244 0.231 1
1 683 . 2 1 1 A 62 62 TRP C C 62 178.088 178.336 -0.248 1
1 684 . 2 1 1 A 62 62 TRP CA C 62 61.043 60.396 0.647 1
1 685 . 2 1 1 A 62 62 TRP CB C 62 29.113 29.376 -0.263 1
1 691 . 2 1 1 A 62 62 TRP N N 62 120.161 121.925 -1.764 1
1 693 . 2 1 1 A 63 63 ARG H H 63 8.579 8.681 -0.102 1
1 694 . 2 1 1 A 63 63 ARG HA H 63 3.762 3.887 -0.125 1
1 701 . 2 1 1 A 63 63 ARG C C 63 179.220 178.610 0.610 1
1 702 . 2 1 1 A 63 63 ARG CA C 63 59.644 59.185 0.459 1
1 703 . 2 1 1 A 63 63 ARG CB C 63 30.498 29.841 0.657 1
1 706 . 2 1 1 A 63 63 ARG N N 63 117.951 119.087 -1.136 1
1 707 . 2 1 1 A 64 64 ARG H H 64 7.754 7.583 0.171 1
1 708 . 2 1 1 A 64 64 ARG HA H 64 4.075 4.047 0.028 1
1 715 . 2 1 1 A 64 64 ARG C C 64 178.643 178.463 0.180 1
1 716 . 2 1 1 A 64 64 ARG CA C 64 59.313 58.970 0.343 1
1 717 . 2 1 1 A 64 64 ARG CB C 64 30.254 29.838 0.416 1
1 720 . 2 1 1 A 64 64 ARG N N 64 119.265 118.426 0.839 1
1 721 . 2 1 1 A 65 65 GLU H H 65 8.134 7.740 0.394 1
1 722 . 2 1 1 A 65 65 GLU HA H 65 3.988 4.090 -0.102 1
1 727 . 2 1 1 A 65 65 GLU C C 65 178.890 178.771 0.119 1
1 728 . 2 1 1 A 65 65 GLU CA C 65 58.891 59.061 -0.170 1
1 729 . 2 1 1 A 65 65 GLU CB C 65 29.228 29.471 -0.243 1
1 731 . 2 1 1 A 65 65 GLU N N 65 119.336 119.279 0.057 1
1 732 . 2 1 1 A 66 66 GLU H H 66 8.212 7.957 0.255 1
1 733 . 2 1 1 A 66 66 GLU HA H 66 3.804 3.738 0.066 1
1 738 . 2 1 1 A 66 66 GLU C C 66 178.273 178.496 -0.223 1
1 739 . 2 1 1 A 66 66 GLU CA C 66 58.714 58.786 -0.072 1
1 740 . 2 1 1 A 66 66 GLU CB C 66 29.493 28.805 0.688 1
1 742 . 2 1 1 A 66 66 GLU N N 66 121.135 119.843 1.292 1
1 743 . 2 1 1 A 67 67 LYS H H 67 7.663 7.543 0.120 1
1 744 . 2 1 1 A 67 67 LYS HA H 67 4.044 4.022 0.022 1
1 752 . 2 1 1 A 67 67 LYS C C 67 178.787 179.033 -0.246 1
1 753 . 2 1 1 A 67 67 LYS CA C 67 58.801 59.211 -0.410 1
1 754 . 2 1 1 A 67 67 LYS CB C 67 32.239 32.243 -0.004 1
1 758 . 2 1 1 A 67 67 LYS N N 67 119.200 119.739 -0.539 1
1 759 . 2 1 1 A 68 68 LEU H H 68 7.631 7.887 -0.256 1
1 760 . 2 1 1 A 68 68 LEU HA H 68 4.155 3.873 0.282 1
1 770 . 2 1 1 A 68 68 LEU C C 68 179.055 179.193 -0.138 1
1 771 . 2 1 1 A 68 68 LEU CA C 68 56.903 57.847 -0.944 1
1 772 . 2 1 1 A 68 68 LEU CB C 68 41.850 41.598 0.252 1
1 776 . 2 1 1 A 68 68 LEU N N 68 118.976 119.690 -0.714 1
1 777 . 2 1 1 A 69 69 ARG H H 69 7.900 8.258 -0.358 1
1 778 . 2 1 1 A 69 69 ARG HA H 69 4.089 3.865 0.224 1
1 785 . 2 1 1 A 69 69 ARG C C 69 177.985 178.588 -0.603 1
1 786 . 2 1 1 A 69 69 ARG CA C 69 58.551 59.741 -1.190 1
1 787 . 2 1 1 A 69 69 ARG CB C 69 30.430 29.877 0.553 1
1 790 . 2 1 1 A 69 69 ARG N N 69 119.387 120.140 -0.753 1
1 791 . 2 1 1 A 70 70 ASN H H 70 8.088 8.085 0.003 1
1 792 . 2 1 1 A 70 70 ASN HA H 70 4.633 4.465 0.168 1
1 797 . 2 1 1 A 70 70 ASN C C 70 176.194 177.312 -1.118 1
1 798 . 2 1 1 A 70 70 ASN CA C 70 54.463 56.533 -2.070 1
1 799 . 2 1 1 A 70 70 ASN CB C 70 38.805 39.900 -1.095 1
1 800 . 2 1 1 A 70 70 ASN N N 70 117.289 117.983 -0.694 1
1 802 . 2 1 1 A 71 71 GLN H H 71 8.017 7.676 0.341 1
1 803 . 2 1 1 A 71 71 GLN HA H 71 4.263 4.157 0.106 1
1 810 . 2 1 1 A 71 71 GLN C C 71 176.750 176.867 -0.117 1
1 811 . 2 1 1 A 71 71 GLN CA C 71 57.031 58.450 -1.419 1
1 812 . 2 1 1 A 71 71 GLN CB C 71 29.122 28.684 0.438 1
1 814 . 2 1 1 A 71 71 GLN N N 71 119.838 118.386 1.452 1
1 816 . 2 1 1 A 72 72 ARG H H 72 8.125 7.593 0.532 1
1 817 . 2 1 1 A 72 72 ARG HA H 72 4.312 4.400 -0.088 1
1 823 . 2 1 1 A 72 72 ARG C C 72 176.729 176.563 0.166 1
1 824 . 2 1 1 A 72 72 ARG CA C 72 56.840 55.506 1.334 1
1 825 . 2 1 1 A 72 72 ARG CB C 72 30.500 30.389 0.111 1
1 828 . 2 1 1 A 72 72 ARG N N 72 120.534 118.888 1.646 1
1 829 . 2 1 1 A 73 73 ARG H H 73 8.148 7.432 0.716 1
1 830 . 2 1 1 A 73 73 ARG HA H 73 4.412 4.103 0.309 1
1 836 . 2 1 1 A 73 73 ARG C C 73 176.552 176.399 0.153 1
1 837 . 2 1 1 A 73 73 ARG CA C 73 56.445 56.680 -0.235 1
1 838 . 2 1 1 A 73 73 ARG CB C 73 30.676 30.432 0.244 1
1 841 . 2 1 1 A 73 73 ARG N N 73 121.356 120.341 1.015 1
1 842 . 2 1 1 A 74 74 GLN HA H 74 4.334 4.414 -0.080 1
1 846 . 2 1 1 A 74 74 GLN CA C 74 56.127 56.081 0.046 1
1 847 . 2 1 1 A 74 74 GLN CB C 74 29.362 29.485 -0.123 1
1 849 . 2 1 1 A 76 76 GLY HA2 H 76 4.168 4.011 0.157 1
1 850 . 2 1 1 A 76 76 GLY HA3 H 76 4.168 4.012 0.156 1
1 851 . 2 1 1 A 76 76 GLY CA C 76 44.736 45.278 -0.542 1
1 852 . 2 1 1 A 77 77 PRO HA H 77 4.502 4.659 -0.157 1
1 859 . 2 1 1 A 77 77 PRO CA C 77 63.330 62.788 0.542 1
1 860 . 2 1 1 A 77 77 PRO CB C 77 32.217 32.700 -0.483 1
1 863 . 2 1 1 A 79 79 SER HA H 79 4.524 5.189 -0.665 1
1 865 . 2 1 1 A 79 79 SER C C 79 173.931 173.579 0.352 1
1 866 . 2 1 1 A 79 79 SER CA C 79 58.409 56.542 1.867 1
1 867 . 2 1 1 A 79 79 SER CB C 79 64.147 65.440 -1.293 1
1 1 . 3 1 1 A 8 8 GLN H H 8 8.925 7.645 1.280 1
1 2 . 3 1 1 A 8 8 GLN HA H 8 4.398 4.777 -0.379 1
1 8 . 3 1 1 A 8 8 GLN CA C 8 56.051 54.475 1.576 1
1 9 . 3 1 1 A 8 8 GLN CB C 8 29.491 31.335 -1.844 1
1 12 . 3 1 1 A 12 12 THR HA H 12 4.352 5.103 -0.751 1
1 17 . 3 1 1 A 12 12 THR CA C 12 61.819 60.806 1.013 1
1 18 . 3 1 1 A 12 12 THR CB C 12 69.783 70.215 -0.432 1
1 20 . 3 1 1 A 13 13 SER HA H 13 4.465 4.540 -0.075 1
1 23 . 3 1 1 A 13 13 SER C C 13 173.828 175.075 -1.247 1
1 24 . 3 1 1 A 13 13 SER CA C 13 57.973 61.526 -3.553 1
1 25 . 3 1 1 A 13 13 SER CB C 13 64.246 64.083 0.163 1
1 26 . 3 1 1 A 14 14 PHE H H 14 8.322 7.864 0.458 1
1 27 . 3 1 1 A 14 14 PHE HA H 14 5.035 4.641 0.394 1
1 35 . 3 1 1 A 14 14 PHE C C 14 176.750 175.180 1.570 1
1 36 . 3 1 1 A 14 14 PHE CA C 14 56.624 58.620 -1.996 1
1 37 . 3 1 1 A 14 14 PHE CB C 14 41.174 39.582 1.592 1
1 43 . 3 1 1 A 14 14 PHE N N 14 121.036 119.506 1.530 1
1 44 . 3 1 1 A 15 15 THR H H 15 8.944 8.495 0.449 1
1 45 . 3 1 1 A 15 15 THR HA H 15 4.529 5.011 -0.482 1
1 50 . 3 1 1 A 15 15 THR C C 15 175.433 175.456 -0.023 1
1 51 . 3 1 1 A 15 15 THR CA C 15 60.644 59.356 1.288 1
1 52 . 3 1 1 A 15 15 THR CB C 15 70.784 71.908 -1.124 1
1 54 . 3 1 1 A 15 15 THR N N 15 113.618 111.729 1.889 1
1 55 . 3 1 1 A 16 16 GLN H H 16 9.086 8.958 0.128 1
1 56 . 3 1 1 A 16 16 GLN HA H 16 4.016 4.023 -0.007 1
1 63 . 3 1 1 A 16 16 GLN C C 16 178.149 177.540 0.609 1
1 64 . 3 1 1 A 16 16 GLN CA C 16 59.283 59.293 -0.010 1
1 65 . 3 1 1 A 16 16 GLN CB C 16 27.943 28.294 -0.351 1
1 67 . 3 1 1 A 16 16 GLN N N 16 121.415 121.133 0.282 1
1 69 . 3 1 1 A 17 17 GLU H H 17 8.837 8.304 0.533 1
1 70 . 3 1 1 A 17 17 GLU HA H 17 4.048 4.330 -0.282 1
1 75 . 3 1 1 A 17 17 GLU C C 17 180.248 178.508 1.740 1
1 76 . 3 1 1 A 17 17 GLU CA C 17 60.156 59.189 0.967 1
1 77 . 3 1 1 A 17 17 GLU CB C 17 29.125 29.315 -0.190 1
1 79 . 3 1 1 A 17 17 GLU N N 17 117.930 119.305 -1.375 1
1 80 . 3 1 1 A 18 18 GLN H H 18 7.738 8.244 -0.506 1
1 81 . 3 1 1 A 18 18 GLN HA H 18 3.809 4.272 -0.463 1
1 88 . 3 1 1 A 18 18 GLN C C 18 177.079 178.060 -0.981 1
1 89 . 3 1 1 A 18 18 GLN CA C 18 59.358 57.718 1.640 1
1 90 . 3 1 1 A 18 18 GLN CB C 18 27.338 29.313 -1.975 1
1 92 . 3 1 1 A 18 18 GLN N N 18 119.421 118.749 0.672 1
1 94 . 3 1 1 A 19 19 ILE H H 19 8.265 8.419 -0.154 1
1 95 . 3 1 1 A 19 19 ILE HA H 19 3.240 3.467 -0.227 1
1 105 . 3 1 1 A 19 19 ILE C C 19 177.409 177.818 -0.409 1
1 106 . 3 1 1 A 19 19 ILE CA C 19 64.693 65.186 -0.493 1
1 107 . 3 1 1 A 19 19 ILE CB C 19 37.544 37.515 0.029 1
1 111 . 3 1 1 A 19 19 ILE N N 19 118.326 120.967 -2.641 1
1 112 . 3 1 1 A 20 20 GLU H H 20 8.304 8.282 0.022 1
1 113 . 3 1 1 A 20 20 GLU HA H 20 3.916 4.035 -0.119 1
1 118 . 3 1 1 A 20 20 GLU C C 20 179.281 178.488 0.793 1
1 119 . 3 1 1 A 20 20 GLU CA C 20 59.674 59.067 0.607 1
1 120 . 3 1 1 A 20 20 GLU CB C 20 29.369 29.318 0.051 1
1 122 . 3 1 1 A 20 20 GLU N N 20 117.948 120.070 -2.122 1
1 123 . 3 1 1 A 21 21 ALA H H 21 7.335 7.778 -0.443 1
1 124 . 3 1 1 A 21 21 ALA HA H 21 4.095 4.034 0.061 1
1 128 . 3 1 1 A 21 21 ALA C C 21 180.825 180.379 0.446 1
1 129 . 3 1 1 A 21 21 ALA CA C 21 54.885 54.596 0.289 1
1 130 . 3 1 1 A 21 21 ALA CB C 21 19.190 18.495 0.695 1
1 131 . 3 1 1 A 21 21 ALA N N 21 120.460 122.339 -1.879 1
1 132 . 3 1 1 A 22 22 LEU H H 22 8.100 8.260 -0.160 1
1 133 . 3 1 1 A 22 22 LEU HA H 22 3.490 3.707 -0.217 1
1 143 . 3 1 1 A 22 22 LEU C C 22 177.861 178.983 -1.122 1
1 144 . 3 1 1 A 22 22 LEU CA C 22 58.530 57.217 1.313 1
1 145 . 3 1 1 A 22 22 LEU CB C 22 37.691 40.043 -2.352 1
1 149 . 3 1 1 A 22 22 LEU N N 22 122.412 119.824 2.588 1
1 150 . 3 1 1 A 23 23 GLU H H 23 8.534 8.185 0.349 1
1 151 . 3 1 1 A 23 23 GLU HA H 23 4.360 4.235 0.125 1
1 156 . 3 1 1 A 23 23 GLU C C 23 180.413 179.186 1.227 1
1 157 . 3 1 1 A 23 23 GLU CA C 23 59.072 59.459 -0.387 1
1 158 . 3 1 1 A 23 23 GLU CB C 23 28.905 29.973 -1.068 1
1 160 . 3 1 1 A 23 23 GLU N N 23 118.309 120.077 -1.768 1
1 161 . 3 1 1 A 24 24 LYS H H 24 7.898 7.874 0.024 1
1 162 . 3 1 1 A 24 24 LYS HA H 24 4.170 4.022 0.148 1
1 170 . 3 1 1 A 24 24 LYS C C 24 179.672 179.304 0.368 1
1 171 . 3 1 1 A 24 24 LYS CA C 24 59.144 59.608 -0.464 1
1 172 . 3 1 1 A 24 24 LYS CB C 24 32.082 32.240 -0.158 1
1 176 . 3 1 1 A 24 24 LYS N N 24 119.449 121.147 -1.698 1
1 177 . 3 1 1 A 25 25 GLU H H 25 7.887 7.968 -0.081 1
1 178 . 3 1 1 A 25 25 GLU HA H 25 4.596 4.127 0.469 1
1 183 . 3 1 1 A 25 25 GLU C C 25 177.923 179.413 -1.490 1
1 184 . 3 1 1 A 25 25 GLU CA C 25 58.799 59.393 -0.594 1
1 185 . 3 1 1 A 25 25 GLU CB C 25 28.787 29.338 -0.551 1
1 187 . 3 1 1 A 25 25 GLU N N 25 121.941 119.006 2.935 1
1 188 . 3 1 1 A 26 26 PHE H H 26 8.843 8.320 0.523 1
1 189 . 3 1 1 A 26 26 PHE HA H 26 4.865 4.588 0.277 1
1 197 . 3 1 1 A 26 26 PHE C C 26 176.380 177.949 -1.569 1
1 198 . 3 1 1 A 26 26 PHE CA C 26 60.798 60.956 -0.158 1
1 199 . 3 1 1 A 26 26 PHE CB C 26 38.969 39.170 -0.201 1
1 205 . 3 1 1 A 26 26 PHE N N 26 121.919 120.792 1.127 1
1 206 . 3 1 1 A 27 27 GLU H H 27 7.839 8.483 -0.644 1
1 207 . 3 1 1 A 27 27 GLU HA H 27 3.952 4.082 -0.130 1
1 212 . 3 1 1 A 27 27 GLU C C 27 178.335 178.680 -0.345 1
1 213 . 3 1 1 A 27 27 GLU CA C 27 58.650 60.518 -1.868 1
1 214 . 3 1 1 A 27 27 GLU CB C 27 29.772 29.318 0.454 1
1 216 . 3 1 1 A 27 27 GLU N N 27 115.144 117.519 -2.375 1
1 217 . 3 1 1 A 28 28 ARG H H 28 7.573 7.391 0.182 1
1 218 . 3 1 1 A 28 28 ARG HA H 28 4.109 4.205 -0.096 1
1 225 . 3 1 1 A 28 28 ARG C C 28 177.059 175.820 1.239 1
1 226 . 3 1 1 A 28 28 ARG CA C 28 58.740 57.938 0.802 1
1 227 . 3 1 1 A 28 28 ARG CB C 28 30.995 31.792 -0.797 1
1 230 . 3 1 1 A 28 28 ARG N N 28 120.497 119.136 1.361 1
1 231 . 3 1 1 A 29 29 THR H H 29 8.786 7.766 1.020 1
1 232 . 3 1 1 A 29 29 THR HA H 29 4.291 4.545 -0.254 1
1 237 . 3 1 1 A 29 29 THR C C 29 170.391 173.779 -3.388 1
1 238 . 3 1 1 A 29 29 THR CA C 29 59.674 60.485 -0.811 1
1 239 . 3 1 1 A 29 29 THR CB C 29 68.880 71.534 -2.654 1
1 241 . 3 1 1 A 29 29 THR N N 29 114.915 111.780 3.135 1
1 242 . 3 1 1 A 30 30 HIS H H 30 8.292 8.525 -0.233 1
1 243 . 3 1 1 A 30 30 HIS HA H 30 4.420 3.197 1.223 1
1 248 . 3 1 1 A 30 30 HIS C C 30 174.569 174.134 0.435 1
1 249 . 3 1 1 A 30 30 HIS CA C 30 54.798 57.209 -2.411 1
1 250 . 3 1 1 A 30 30 HIS CB C 30 30.629 29.064 1.565 1
1 253 . 3 1 1 A 30 30 HIS N N 30 122.126 125.307 -3.181 1
1 254 . 3 1 1 A 31 31 TYR H H 31 8.179 7.317 0.862 1
1 255 . 3 1 1 A 31 31 TYR HA H 31 4.731 4.823 -0.092 1
1 262 . 3 1 1 A 31 31 TYR C C 31 172.551 172.854 -0.303 1
1 263 . 3 1 1 A 31 31 TYR CA C 31 55.259 54.991 0.268 1
1 264 . 3 1 1 A 31 31 TYR CB C 31 39.362 38.341 1.021 1
1 269 . 3 1 1 A 31 31 TYR N N 31 115.063 117.524 -2.461 1
1 270 . 3 1 1 A 32 32 PRO HA H 32 4.256 4.555 -0.299 1
1 277 . 3 1 1 A 32 32 PRO C C 32 177.388 176.968 0.420 1
1 278 . 3 1 1 A 32 32 PRO CA C 32 62.903 62.378 0.525 1
1 279 . 3 1 1 A 32 32 PRO CB C 32 30.896 31.393 -0.497 1
1 282 . 3 1 1 A 33 33 ASP H H 33 8.457 8.594 -0.137 1
1 283 . 3 1 1 A 33 33 ASP HA H 33 4.495 4.635 -0.140 1
1 286 . 3 1 1 A 33 33 ASP C C 33 175.824 177.461 -1.637 1
1 287 . 3 1 1 A 33 33 ASP CA C 33 52.776 54.548 -1.772 1
1 288 . 3 1 1 A 33 33 ASP CB C 33 41.174 41.854 -0.680 1
1 289 . 3 1 1 A 33 33 ASP N N 33 124.636 122.203 2.433 1
1 290 . 3 1 1 A 34 34 VAL H H 34 8.331 8.480 -0.149 1
1 291 . 3 1 1 A 34 34 VAL HA H 34 3.488 3.797 -0.309 1
1 299 . 3 1 1 A 34 34 VAL C C 34 176.133 177.383 -1.250 1
1 300 . 3 1 1 A 34 34 VAL CA C 34 66.176 65.252 0.924 1
1 301 . 3 1 1 A 34 34 VAL CB C 34 31.401 31.473 -0.072 1
1 304 . 3 1 1 A 34 34 VAL N N 34 117.908 123.802 -5.894 1
1 305 . 3 1 1 A 35 35 PHE H H 35 7.127 7.864 -0.737 1
1 306 . 3 1 1 A 35 35 PHE HA H 35 4.339 4.196 0.143 1
1 314 . 3 1 1 A 35 35 PHE C C 35 178.808 177.308 1.500 1
1 315 . 3 1 1 A 35 35 PHE CA C 35 60.335 61.348 -1.013 1
1 316 . 3 1 1 A 35 35 PHE CB C 35 37.927 37.872 0.055 1
1 322 . 3 1 1 A 35 35 PHE N N 35 120.263 120.409 -0.146 1
1 323 . 3 1 1 A 36 36 ALA H H 36 8.428 7.916 0.512 1
1 324 . 3 1 1 A 36 36 ALA HA H 36 4.094 4.363 -0.269 1
1 328 . 3 1 1 A 36 36 ALA C C 36 181.812 179.055 2.757 1
1 329 . 3 1 1 A 36 36 ALA CA C 36 55.062 54.360 0.702 1
1 330 . 3 1 1 A 36 36 ALA CB C 36 18.484 19.288 -0.804 1
1 331 . 3 1 1 A 36 36 ALA N N 36 123.569 121.809 1.760 1
1 332 . 3 1 1 A 37 37 ARG H H 37 8.695 8.252 0.443 1
1 333 . 3 1 1 A 37 37 ARG HA H 37 3.920 4.046 -0.126 1
1 341 . 3 1 1 A 37 37 ARG C C 37 178.232 178.822 -0.590 1
1 342 . 3 1 1 A 37 37 ARG CA C 37 61.034 59.724 1.310 1
1 343 . 3 1 1 A 37 37 ARG CB C 37 31.263 29.868 1.395 1
1 346 . 3 1 1 A 37 37 ARG N N 37 117.907 117.384 0.523 1
1 348 . 3 1 1 A 38 38 GLU H H 38 8.531 8.329 0.202 1
1 349 . 3 1 1 A 38 38 GLU HA H 38 4.051 4.094 -0.043 1
1 354 . 3 1 1 A 38 38 GLU C C 38 179.940 179.425 0.515 1
1 355 . 3 1 1 A 38 38 GLU CA C 38 59.765 59.306 0.459 1
1 356 . 3 1 1 A 38 38 GLU CB C 38 29.456 29.234 0.222 1
1 358 . 3 1 1 A 38 38 GLU N N 38 119.688 119.505 0.183 1
1 359 . 3 1 1 A 39 39 ARG H H 39 8.096 8.046 0.050 1
1 360 . 3 1 1 A 39 39 ARG HA H 39 4.130 4.083 0.047 1
1 366 . 3 1 1 A 39 39 ARG C C 39 179.425 179.001 0.424 1
1 367 . 3 1 1 A 39 39 ARG CA C 39 59.368 58.980 0.388 1
1 368 . 3 1 1 A 39 39 ARG CB C 39 30.300 29.785 0.515 1
1 371 . 3 1 1 A 39 39 ARG N N 39 120.527 120.203 0.324 1
1 372 . 3 1 1 A 40 40 LEU H H 40 7.933 8.156 -0.223 1
1 373 . 3 1 1 A 40 40 LEU HA H 40 4.121 4.111 0.010 1
1 383 . 3 1 1 A 40 40 LEU C C 40 177.861 178.269 -0.408 1
1 384 . 3 1 1 A 40 40 LEU CA C 40 57.807 57.419 0.388 1
1 385 . 3 1 1 A 40 40 LEU CB C 40 42.446 41.439 1.007 1
1 389 . 3 1 1 A 40 40 LEU N N 40 121.371 121.467 -0.096 1
1 390 . 3 1 1 A 41 41 ALA H H 41 8.537 8.239 0.298 1
1 391 . 3 1 1 A 41 41 ALA HA H 41 4.102 4.110 -0.008 1
1 395 . 3 1 1 A 41 41 ALA C C 41 180.372 179.217 1.155 1
1 396 . 3 1 1 A 41 41 ALA CA C 41 56.060 55.422 0.638 1
1 397 . 3 1 1 A 41 41 ALA CB C 41 18.892 18.368 0.524 1
1 398 . 3 1 1 A 41 41 ALA N N 41 121.892 120.569 1.323 1
1 399 . 3 1 1 A 42 42 ALA H H 42 7.400 7.261 0.139 1
1 400 . 3 1 1 A 42 42 ALA HA H 42 4.242 4.218 0.024 1
1 404 . 3 1 1 A 42 42 ALA C C 42 179.631 180.180 -0.549 1
1 405 . 3 1 1 A 42 42 ALA CA C 42 53.951 53.248 0.703 1
1 406 . 3 1 1 A 42 42 ALA CB C 42 18.484 19.153 -0.669 1
1 407 . 3 1 1 A 42 42 ALA N N 42 116.807 119.494 -2.687 1
1 408 . 3 1 1 A 43 43 LYS H H 43 7.781 8.149 -0.368 1
1 409 . 3 1 1 A 43 43 LYS HA H 43 4.229 4.087 0.142 1
1 417 . 3 1 1 A 43 43 LYS C C 43 178.746 177.915 0.831 1
1 418 . 3 1 1 A 43 43 LYS CA C 43 58.710 58.571 0.139 1
1 419 . 3 1 1 A 43 43 LYS CB C 43 33.610 32.586 1.024 1
1 423 . 3 1 1 A 43 43 LYS N N 43 118.433 118.531 -0.098 1
1 424 . 3 1 1 A 44 44 ILE H H 44 8.094 7.327 0.767 1
1 425 . 3 1 1 A 44 44 ILE HA H 44 4.655 4.415 0.240 1
1 435 . 3 1 1 A 44 44 ILE C C 44 175.042 175.363 -0.321 1
1 436 . 3 1 1 A 44 44 ILE CA C 44 60.606 60.053 0.553 1
1 437 . 3 1 1 A 44 44 ILE CB C 44 38.341 38.728 -0.387 1
1 441 . 3 1 1 A 44 44 ILE N N 44 108.112 111.639 -3.527 1
1 442 . 3 1 1 A 45 45 ASP H H 45 7.811 8.194 -0.383 1
1 443 . 3 1 1 A 45 45 ASP HA H 45 4.333 4.235 0.098 1
1 446 . 3 1 1 A 45 45 ASP C C 45 173.848 174.555 -0.707 1
1 447 . 3 1 1 A 45 45 ASP CA C 45 55.065 55.021 0.044 1
1 448 . 3 1 1 A 45 45 ASP CB C 45 39.031 39.605 -0.574 1
1 449 . 3 1 1 A 45 45 ASP N N 45 121.798 121.952 -0.154 1
1 450 . 3 1 1 A 46 46 LEU H H 46 7.550 8.028 -0.478 1
1 451 . 3 1 1 A 46 46 LEU HA H 46 4.990 4.822 0.168 1
1 461 . 3 1 1 A 46 46 LEU C C 46 173.536 174.252 -0.716 1
1 462 . 3 1 1 A 46 46 LEU CA C 46 51.364 51.286 0.078 1
1 463 . 3 1 1 A 46 46 LEU CB C 46 47.443 44.858 2.585 1
1 467 . 3 1 1 A 46 46 LEU N N 46 118.454 118.877 -0.423 1
1 468 . 3 1 1 A 47 47 PRO HA H 47 4.548 4.674 -0.126 1
1 475 . 3 1 1 A 47 47 PRO C C 47 178.417 177.904 0.513 1
1 476 . 3 1 1 A 47 47 PRO CA C 47 62.268 62.800 -0.532 1
1 477 . 3 1 1 A 47 47 PRO CB C 47 32.600 32.168 0.432 1
1 480 . 3 1 1 A 48 48 GLU H H 48 9.253 9.043 0.210 1
1 481 . 3 1 1 A 48 48 GLU HA H 48 3.799 4.025 -0.226 1
1 486 . 3 1 1 A 48 48 GLU C C 48 178.273 178.318 -0.045 1
1 487 . 3 1 1 A 48 48 GLU CA C 48 61.083 59.407 1.676 1
1 488 . 3 1 1 A 48 48 GLU CB C 48 28.815 29.458 -0.643 1
1 490 . 3 1 1 A 48 48 GLU N N 48 126.081 124.438 1.643 1
1 491 . 3 1 1 A 49 49 ALA H H 49 8.923 8.087 0.836 1
1 492 . 3 1 1 A 49 49 ALA HA H 49 4.128 4.193 -0.065 1
1 496 . 3 1 1 A 49 49 ALA C C 49 181.277 179.537 1.740 1
1 497 . 3 1 1 A 49 49 ALA CA C 49 55.569 54.958 0.611 1
1 498 . 3 1 1 A 49 49 ALA CB C 49 18.681 18.460 0.221 1
1 499 . 3 1 1 A 49 49 ALA N N 49 119.313 122.545 -3.232 1
1 500 . 3 1 1 A 50 50 ARG H H 50 7.417 8.153 -0.736 1
1 501 . 3 1 1 A 50 50 ARG HA H 50 4.348 4.191 0.157 1
1 508 . 3 1 1 A 50 50 ARG C C 50 179.425 178.639 0.786 1
1 509 . 3 1 1 A 50 50 ARG CA C 50 57.978 59.678 -1.700 1
1 510 . 3 1 1 A 50 50 ARG CB C 50 29.723 30.194 -0.471 1
1 513 . 3 1 1 A 50 50 ARG N N 50 114.567 117.873 -3.306 1
1 514 . 3 1 1 A 51 51 ILE H H 51 7.785 8.007 -0.222 1
1 515 . 3 1 1 A 51 51 ILE HA H 51 3.816 3.822 -0.006 1
1 525 . 3 1 1 A 51 51 ILE C C 51 178.088 178.000 0.088 1
1 526 . 3 1 1 A 51 51 ILE CA C 51 65.848 65.262 0.586 1
1 527 . 3 1 1 A 51 51 ILE CB C 51 37.785 37.827 -0.042 1
1 531 . 3 1 1 A 51 51 ILE N N 51 121.669 120.903 0.766 1
1 532 . 3 1 1 A 52 52 GLN H H 52 8.478 8.308 0.170 1
1 533 . 3 1 1 A 52 52 GLN HA H 52 4.423 4.017 0.406 1
1 539 . 3 1 1 A 52 52 GLN C C 52 179.364 179.002 0.362 1
1 540 . 3 1 1 A 52 52 GLN CA C 52 60.232 58.973 1.259 1
1 541 . 3 1 1 A 52 52 GLN CB C 52 28.945 28.404 0.541 1
1 543 . 3 1 1 A 52 52 GLN N N 52 118.943 118.132 0.811 1
1 545 . 3 1 1 A 53 53 VAL H H 53 7.582 7.999 -0.417 1
1 546 . 3 1 1 A 53 53 VAL HA H 53 3.842 3.673 0.169 1
1 554 . 3 1 1 A 53 53 VAL C C 53 177.800 178.245 -0.445 1
1 555 . 3 1 1 A 53 53 VAL CA C 53 66.633 66.757 -0.124 1
1 556 . 3 1 1 A 53 53 VAL CB C 53 32.241 31.808 0.433 1
1 559 . 3 1 1 A 53 53 VAL N N 53 120.375 120.367 0.008 1
1 560 . 3 1 1 A 54 54 TRP H H 54 8.390 8.514 -0.124 1
1 561 . 3 1 1 A 54 54 TRP HA H 54 4.050 4.089 -0.039 1
1 570 . 3 1 1 A 54 54 TRP C C 54 180.084 178.355 1.729 1
1 571 . 3 1 1 A 54 54 TRP CA C 54 63.229 61.341 1.888 1
1 572 . 3 1 1 A 54 54 TRP CB C 54 28.726 29.375 -0.649 1
1 578 . 3 1 1 A 54 54 TRP N N 54 121.414 121.336 0.078 1
1 580 . 3 1 1 A 55 55 PHE H H 55 9.127 8.573 0.554 1
1 581 . 3 1 1 A 55 55 PHE HA H 55 3.771 4.473 -0.702 1
1 589 . 3 1 1 A 55 55 PHE C C 55 178.170 178.165 0.005 1
1 590 . 3 1 1 A 55 55 PHE CA C 55 63.826 62.091 1.735 1
1 591 . 3 1 1 A 55 55 PHE CB C 55 39.195 38.070 1.125 1
1 597 . 3 1 1 A 55 55 PHE N N 55 118.358 117.653 0.705 1
1 598 . 3 1 1 A 56 56 SER H H 56 8.267 8.622 -0.355 1
1 599 . 3 1 1 A 56 56 SER HA H 56 4.148 4.061 0.087 1
1 602 . 3 1 1 A 56 56 SER C C 56 178.376 177.263 1.113 1
1 603 . 3 1 1 A 56 56 SER CA C 56 62.578 61.754 0.824 1
1 604 . 3 1 1 A 56 56 SER CB C 56 62.412 63.066 -0.654 1
1 605 . 3 1 1 A 56 56 SER N N 56 115.049 115.301 -0.252 1
1 606 . 3 1 1 A 57 57 ASN H H 57 8.231 8.199 0.032 1
1 607 . 3 1 1 A 57 57 ASN HA H 57 4.411 4.436 -0.025 1
1 612 . 3 1 1 A 57 57 ASN C C 57 177.573 178.323 -0.750 1
1 613 . 3 1 1 A 57 57 ASN CA C 57 55.698 56.048 -0.350 1
1 614 . 3 1 1 A 57 57 ASN CB C 57 37.827 37.593 0.234 1
1 615 . 3 1 1 A 57 57 ASN N N 57 120.846 119.968 0.878 1
1 617 . 3 1 1 A 58 58 ARG H H 58 8.531 7.355 1.176 1
1 618 . 3 1 1 A 58 58 ARG HA H 58 3.533 3.621 -0.088 1
1 626 . 3 1 1 A 58 58 ARG C C 58 179.919 179.120 0.799 1
1 627 . 3 1 1 A 58 58 ARG CA C 58 56.451 59.569 -3.118 1
1 628 . 3 1 1 A 58 58 ARG CB C 58 27.981 29.702 -1.721 1
1 631 . 3 1 1 A 58 58 ARG N N 58 124.704 120.142 4.562 1
1 633 . 3 1 1 A 59 59 ARG H H 59 8.496 8.256 0.240 1
1 634 . 3 1 1 A 59 59 ARG HA H 59 4.072 4.226 -0.154 1
1 641 . 3 1 1 A 59 59 ARG C C 59 178.520 179.228 -0.708 1
1 642 . 3 1 1 A 59 59 ARG CA C 59 60.970 59.605 1.365 1
1 643 . 3 1 1 A 59 59 ARG CB C 59 31.601 30.193 1.408 1
1 646 . 3 1 1 A 59 59 ARG N N 59 120.108 119.900 0.208 1
1 647 . 3 1 1 A 60 60 ALA H H 60 7.487 7.616 -0.129 1
1 648 . 3 1 1 A 60 60 ALA HA H 60 4.197 4.125 0.072 1
1 652 . 3 1 1 A 60 60 ALA C C 60 180.475 179.697 0.778 1
1 653 . 3 1 1 A 60 60 ALA CA C 60 55.547 54.949 0.598 1
1 654 . 3 1 1 A 60 60 ALA CB C 60 17.635 18.400 -0.765 1
1 655 . 3 1 1 A 60 60 ALA N N 60 121.949 121.654 0.295 1
1 656 . 3 1 1 A 61 61 LYS H H 61 7.733 8.092 -0.359 1
1 657 . 3 1 1 A 61 61 LYS HA H 61 3.927 4.022 -0.095 1
1 666 . 3 1 1 A 61 61 LYS C C 61 177.656 178.944 -1.288 1
1 667 . 3 1 1 A 61 61 LYS CA C 61 59.590 58.855 0.735 1
1 668 . 3 1 1 A 61 61 LYS CB C 61 32.903 31.764 1.139 1
1 672 . 3 1 1 A 61 61 LYS N N 61 120.311 118.322 1.989 1
1 673 . 3 1 1 A 62 62 TRP H H 62 8.235 8.509 -0.274 1
1 674 . 3 1 1 A 62 62 TRP HA H 62 4.475 4.213 0.262 1
1 683 . 3 1 1 A 62 62 TRP C C 62 178.088 178.315 -0.227 1
1 684 . 3 1 1 A 62 62 TRP CA C 62 61.043 60.261 0.782 1
1 685 . 3 1 1 A 62 62 TRP CB C 62 29.113 29.576 -0.463 1
1 691 . 3 1 1 A 62 62 TRP N N 62 120.161 121.749 -1.588 1
1 693 . 3 1 1 A 63 63 ARG H H 63 8.579 8.723 -0.144 1
1 694 . 3 1 1 A 63 63 ARG HA H 63 3.762 3.729 0.033 1
1 701 . 3 1 1 A 63 63 ARG C C 63 179.220 178.601 0.619 1
1 702 . 3 1 1 A 63 63 ARG CA C 63 59.644 59.407 0.237 1
1 703 . 3 1 1 A 63 63 ARG CB C 63 30.498 30.292 0.206 1
1 706 . 3 1 1 A 63 63 ARG N N 63 117.951 119.007 -1.056 1
1 707 . 3 1 1 A 64 64 ARG H H 64 7.754 7.961 -0.207 1
1 708 . 3 1 1 A 64 64 ARG HA H 64 4.075 3.998 0.077 1
1 715 . 3 1 1 A 64 64 ARG C C 64 178.643 178.588 0.055 1
1 716 . 3 1 1 A 64 64 ARG CA C 64 59.313 58.977 0.336 1
1 717 . 3 1 1 A 64 64 ARG CB C 64 30.254 30.042 0.212 1
1 720 . 3 1 1 A 64 64 ARG N N 64 119.265 118.384 0.881 1
1 721 . 3 1 1 A 65 65 GLU H H 65 8.134 7.854 0.280 1
1 722 . 3 1 1 A 65 65 GLU HA H 65 3.988 3.998 -0.010 1
1 727 . 3 1 1 A 65 65 GLU C C 65 178.890 179.173 -0.283 1
1 728 . 3 1 1 A 65 65 GLU CA C 65 58.891 59.074 -0.183 1
1 729 . 3 1 1 A 65 65 GLU CB C 65 29.228 29.000 0.228 1
1 731 . 3 1 1 A 65 65 GLU N N 65 119.336 119.400 -0.064 1
1 732 . 3 1 1 A 66 66 GLU H H 66 8.212 8.252 -0.040 1
1 733 . 3 1 1 A 66 66 GLU HA H 66 3.804 3.736 0.068 1
1 738 . 3 1 1 A 66 66 GLU C C 66 178.273 178.888 -0.615 1
1 739 . 3 1 1 A 66 66 GLU CA C 66 58.714 59.121 -0.407 1
1 740 . 3 1 1 A 66 66 GLU CB C 66 29.493 28.860 0.633 1
1 742 . 3 1 1 A 66 66 GLU N N 66 121.135 119.909 1.226 1
1 743 . 3 1 1 A 67 67 LYS H H 67 7.663 7.396 0.267 1
1 744 . 3 1 1 A 67 67 LYS HA H 67 4.044 4.021 0.023 1
1 752 . 3 1 1 A 67 67 LYS C C 67 178.787 178.451 0.336 1
1 753 . 3 1 1 A 67 67 LYS CA C 67 58.801 59.408 -0.607 1
1 754 . 3 1 1 A 67 67 LYS CB C 67 32.239 32.087 0.152 1
1 758 . 3 1 1 A 67 67 LYS N N 67 119.200 121.244 -2.044 1
1 759 . 3 1 1 A 68 68 LEU H H 68 7.631 7.900 -0.269 1
1 760 . 3 1 1 A 68 68 LEU HA H 68 4.155 3.919 0.236 1
1 770 . 3 1 1 A 68 68 LEU C C 68 179.055 179.148 -0.093 1
1 771 . 3 1 1 A 68 68 LEU CA C 68 56.903 57.845 -0.942 1
1 772 . 3 1 1 A 68 68 LEU CB C 68 41.850 41.746 0.104 1
1 776 . 3 1 1 A 68 68 LEU N N 68 118.976 119.833 -0.857 1
1 777 . 3 1 1 A 69 69 ARG H H 69 7.900 7.753 0.147 1
1 778 . 3 1 1 A 69 69 ARG HA H 69 4.089 4.048 0.041 1
1 785 . 3 1 1 A 69 69 ARG C C 69 177.985 178.861 -0.876 1
1 786 . 3 1 1 A 69 69 ARG CA C 69 58.551 58.574 -0.023 1
1 787 . 3 1 1 A 69 69 ARG CB C 69 30.430 29.988 0.442 1
1 790 . 3 1 1 A 69 69 ARG N N 69 119.387 121.025 -1.638 1
1 791 . 3 1 1 A 70 70 ASN H H 70 8.088 8.144 -0.056 1
1 792 . 3 1 1 A 70 70 ASN HA H 70 4.633 4.495 0.138 1
1 797 . 3 1 1 A 70 70 ASN C C 70 176.194 178.484 -2.290 1
1 798 . 3 1 1 A 70 70 ASN CA C 70 54.463 55.645 -1.182 1
1 799 . 3 1 1 A 70 70 ASN CB C 70 38.805 37.948 0.857 1
1 800 . 3 1 1 A 70 70 ASN N N 70 117.289 118.343 -1.054 1
1 802 . 3 1 1 A 71 71 GLN H H 71 8.017 8.011 0.006 1
1 803 . 3 1 1 A 71 71 GLN HA H 71 4.263 4.103 0.160 1
1 810 . 3 1 1 A 71 71 GLN C C 71 176.750 179.123 -2.373 1
1 811 . 3 1 1 A 71 71 GLN CA C 71 57.031 58.730 -1.699 1
1 812 . 3 1 1 A 71 71 GLN CB C 71 29.122 28.247 0.875 1
1 814 . 3 1 1 A 71 71 GLN N N 71 119.838 120.352 -0.514 1
1 816 . 3 1 1 A 72 72 ARG H H 72 8.125 8.015 0.110 1
1 817 . 3 1 1 A 72 72 ARG HA H 72 4.312 4.005 0.307 1
1 823 . 3 1 1 A 72 72 ARG C C 72 176.729 177.286 -0.557 1
1 824 . 3 1 1 A 72 72 ARG CA C 72 56.840 58.928 -2.088 1
1 825 . 3 1 1 A 72 72 ARG CB C 72 30.500 29.659 0.841 1
1 828 . 3 1 1 A 72 72 ARG N N 72 120.534 120.165 0.369 1
1 829 . 3 1 1 A 73 73 ARG H H 73 8.148 7.648 0.500 1
1 830 . 3 1 1 A 73 73 ARG HA H 73 4.412 4.215 0.197 1
1 836 . 3 1 1 A 73 73 ARG C C 73 176.552 177.537 -0.985 1
1 837 . 3 1 1 A 73 73 ARG CA C 73 56.445 56.086 0.359 1
1 838 . 3 1 1 A 73 73 ARG CB C 73 30.676 31.125 -0.449 1
1 841 . 3 1 1 A 73 73 ARG N N 73 121.356 119.710 1.646 1
1 842 . 3 1 1 A 74 74 GLN HA H 74 4.334 4.497 -0.163 1
1 846 . 3 1 1 A 74 74 GLN CA C 74 56.127 55.701 0.426 1
1 847 . 3 1 1 A 74 74 GLN CB C 74 29.362 28.492 0.870 1
1 849 . 3 1 1 A 76 76 GLY HA2 H 76 4.168 4.086 0.082 1
1 850 . 3 1 1 A 76 76 GLY HA3 H 76 4.168 4.086 0.082 1
1 851 . 3 1 1 A 76 76 GLY CA C 76 44.736 46.015 -1.279 1
1 852 . 3 1 1 A 77 77 PRO HA H 77 4.502 4.730 -0.228 1
1 859 . 3 1 1 A 77 77 PRO CA C 77 63.330 62.738 0.592 1
1 860 . 3 1 1 A 77 77 PRO CB C 77 32.217 31.413 0.804 1
1 863 . 3 1 1 A 79 79 SER HA H 79 4.524 4.060 0.464 1
1 865 . 3 1 1 A 79 79 SER C C 79 173.931 177.361 -3.430 1
1 866 . 3 1 1 A 79 79 SER CA C 79 58.409 61.733 -3.324 1
1 867 . 3 1 1 A 79 79 SER CB C 79 64.147 62.913 1.234 1
1 1 . 4 1 1 A 8 8 GLN H H 8 8.925 8.557 0.368 1
1 2 . 4 1 1 A 8 8 GLN HA H 8 4.398 4.657 -0.259 1
1 8 . 4 1 1 A 8 8 GLN CA C 8 56.051 56.484 -0.433 1
1 9 . 4 1 1 A 8 8 GLN CB C 8 29.491 31.640 -2.149 1
1 12 . 4 1 1 A 12 12 THR HA H 12 4.352 4.230 0.122 1
1 17 . 4 1 1 A 12 12 THR CA C 12 61.819 62.731 -0.912 1
1 18 . 4 1 1 A 12 12 THR CB C 12 69.783 69.391 0.392 1
1 20 . 4 1 1 A 13 13 SER HA H 13 4.465 4.771 -0.306 1
1 23 . 4 1 1 A 13 13 SER C C 13 173.828 173.899 -0.071 1
1 24 . 4 1 1 A 13 13 SER CA C 13 57.973 56.240 1.733 1
1 25 . 4 1 1 A 13 13 SER CB C 13 64.246 65.257 -1.011 1
1 26 . 4 1 1 A 14 14 PHE H H 14 8.322 7.838 0.484 1
1 27 . 4 1 1 A 14 14 PHE HA H 14 5.035 4.987 0.048 1
1 35 . 4 1 1 A 14 14 PHE C C 14 176.750 175.556 1.194 1
1 36 . 4 1 1 A 14 14 PHE CA C 14 56.624 58.787 -2.163 1
1 37 . 4 1 1 A 14 14 PHE CB C 14 41.174 39.654 1.520 1
1 43 . 4 1 1 A 14 14 PHE N N 14 121.036 121.521 -0.485 1
1 44 . 4 1 1 A 15 15 THR H H 15 8.944 8.652 0.292 1
1 45 . 4 1 1 A 15 15 THR HA H 15 4.529 5.103 -0.574 1
1 50 . 4 1 1 A 15 15 THR C C 15 175.433 175.455 -0.022 1
1 51 . 4 1 1 A 15 15 THR CA C 15 60.644 59.463 1.181 1
1 52 . 4 1 1 A 15 15 THR CB C 15 70.784 72.082 -1.298 1
1 54 . 4 1 1 A 15 15 THR N N 15 113.618 111.394 2.224 1
1 55 . 4 1 1 A 16 16 GLN H H 16 9.086 8.908 0.178 1
1 56 . 4 1 1 A 16 16 GLN HA H 16 4.016 3.976 0.040 1
1 63 . 4 1 1 A 16 16 GLN C C 16 178.149 177.295 0.854 1
1 64 . 4 1 1 A 16 16 GLN CA C 16 59.283 59.008 0.275 1
1 65 . 4 1 1 A 16 16 GLN CB C 16 27.943 28.312 -0.369 1
1 67 . 4 1 1 A 16 16 GLN N N 16 121.415 121.531 -0.116 1
1 69 . 4 1 1 A 17 17 GLU H H 17 8.837 8.165 0.672 1
1 70 . 4 1 1 A 17 17 GLU HA H 17 4.048 4.174 -0.126 1
1 75 . 4 1 1 A 17 17 GLU C C 17 180.248 178.312 1.936 1
1 76 . 4 1 1 A 17 17 GLU CA C 17 60.156 59.101 1.055 1
1 77 . 4 1 1 A 17 17 GLU CB C 17 29.125 29.572 -0.447 1
1 79 . 4 1 1 A 17 17 GLU N N 17 117.930 118.355 -0.425 1
1 80 . 4 1 1 A 18 18 GLN H H 18 7.738 8.238 -0.500 1
1 81 . 4 1 1 A 18 18 GLN HA H 18 3.809 4.165 -0.356 1
1 88 . 4 1 1 A 18 18 GLN C C 18 177.079 178.420 -1.341 1
1 89 . 4 1 1 A 18 18 GLN CA C 18 59.358 58.075 1.283 1
1 90 . 4 1 1 A 18 18 GLN CB C 18 27.338 28.972 -1.634 1
1 92 . 4 1 1 A 18 18 GLN N N 18 119.421 118.727 0.694 1
1 94 . 4 1 1 A 19 19 ILE H H 19 8.265 8.627 -0.362 1
1 95 . 4 1 1 A 19 19 ILE HA H 19 3.240 3.507 -0.267 1
1 105 . 4 1 1 A 19 19 ILE C C 19 177.409 177.997 -0.588 1
1 106 . 4 1 1 A 19 19 ILE CA C 19 64.693 65.136 -0.443 1
1 107 . 4 1 1 A 19 19 ILE CB C 19 37.544 37.177 0.367 1
1 111 . 4 1 1 A 19 19 ILE N N 19 118.326 121.570 -3.244 1
1 112 . 4 1 1 A 20 20 GLU H H 20 8.304 8.757 -0.453 1
1 113 . 4 1 1 A 20 20 GLU HA H 20 3.916 4.019 -0.103 1
1 118 . 4 1 1 A 20 20 GLU C C 20 179.281 178.616 0.665 1
1 119 . 4 1 1 A 20 20 GLU CA C 20 59.674 59.179 0.495 1
1 120 . 4 1 1 A 20 20 GLU CB C 20 29.369 29.039 0.330 1
1 122 . 4 1 1 A 20 20 GLU N N 20 117.948 120.442 -2.494 1
1 123 . 4 1 1 A 21 21 ALA H H 21 7.335 7.799 -0.464 1
1 124 . 4 1 1 A 21 21 ALA HA H 21 4.095 4.035 0.060 1
1 128 . 4 1 1 A 21 21 ALA C C 21 180.825 180.423 0.402 1
1 129 . 4 1 1 A 21 21 ALA CA C 21 54.885 54.674 0.211 1
1 130 . 4 1 1 A 21 21 ALA CB C 21 19.190 18.515 0.675 1
1 131 . 4 1 1 A 21 21 ALA N N 21 120.460 122.374 -1.914 1
1 132 . 4 1 1 A 22 22 LEU H H 22 8.100 8.142 -0.042 1
1 133 . 4 1 1 A 22 22 LEU HA H 22 3.490 3.818 -0.328 1
1 143 . 4 1 1 A 22 22 LEU C C 22 177.861 179.219 -1.358 1
1 144 . 4 1 1 A 22 22 LEU CA C 22 58.530 57.259 1.271 1
1 145 . 4 1 1 A 22 22 LEU CB C 22 37.691 40.232 -2.541 1
1 149 . 4 1 1 A 22 22 LEU N N 22 122.412 120.275 2.137 1
1 150 . 4 1 1 A 23 23 GLU H H 23 8.534 8.026 0.508 1
1 151 . 4 1 1 A 23 23 GLU HA H 23 4.360 4.156 0.204 1
1 156 . 4 1 1 A 23 23 GLU C C 23 180.413 179.474 0.939 1
1 157 . 4 1 1 A 23 23 GLU CA C 23 59.072 59.685 -0.613 1
1 158 . 4 1 1 A 23 23 GLU CB C 23 28.905 29.439 -0.534 1
1 160 . 4 1 1 A 23 23 GLU N N 23 118.309 119.809 -1.500 1
1 161 . 4 1 1 A 24 24 LYS H H 24 7.898 7.784 0.114 1
1 162 . 4 1 1 A 24 24 LYS HA H 24 4.170 4.026 0.144 1
1 170 . 4 1 1 A 24 24 LYS C C 24 179.672 178.667 1.005 1
1 171 . 4 1 1 A 24 24 LYS CA C 24 59.144 59.768 -0.624 1
1 172 . 4 1 1 A 24 24 LYS CB C 24 32.082 32.189 -0.107 1
1 176 . 4 1 1 A 24 24 LYS N N 24 119.449 121.366 -1.917 1
1 177 . 4 1 1 A 25 25 GLU H H 25 7.887 7.880 0.007 1
1 178 . 4 1 1 A 25 25 GLU HA H 25 4.596 4.053 0.543 1
1 183 . 4 1 1 A 25 25 GLU C C 25 177.923 178.994 -1.071 1
1 184 . 4 1 1 A 25 25 GLU CA C 25 58.799 59.429 -0.630 1
1 185 . 4 1 1 A 25 25 GLU CB C 25 28.787 29.392 -0.605 1
1 187 . 4 1 1 A 25 25 GLU N N 25 121.941 119.358 2.583 1
1 188 . 4 1 1 A 26 26 PHE H H 26 8.843 8.014 0.829 1
1 189 . 4 1 1 A 26 26 PHE HA H 26 4.865 4.664 0.201 1
1 197 . 4 1 1 A 26 26 PHE C C 26 176.380 177.420 -1.040 1
1 198 . 4 1 1 A 26 26 PHE CA C 26 60.798 61.059 -0.261 1
1 199 . 4 1 1 A 26 26 PHE CB C 26 38.969 38.902 0.067 1
1 205 . 4 1 1 A 26 26 PHE N N 26 121.919 120.644 1.275 1
1 206 . 4 1 1 A 27 27 GLU H H 27 7.839 8.269 -0.430 1
1 207 . 4 1 1 A 27 27 GLU HA H 27 3.952 4.107 -0.155 1
1 212 . 4 1 1 A 27 27 GLU C C 27 178.335 178.785 -0.450 1
1 213 . 4 1 1 A 27 27 GLU CA C 27 58.650 60.171 -1.521 1
1 214 . 4 1 1 A 27 27 GLU CB C 27 29.772 29.503 0.269 1
1 216 . 4 1 1 A 27 27 GLU N N 27 115.144 117.540 -2.396 1
1 217 . 4 1 1 A 28 28 ARG H H 28 7.573 7.337 0.236 1
1 218 . 4 1 1 A 28 28 ARG HA H 28 4.109 4.156 -0.047 1
1 225 . 4 1 1 A 28 28 ARG C C 28 177.059 175.894 1.165 1
1 226 . 4 1 1 A 28 28 ARG CA C 28 58.740 58.221 0.519 1
1 227 . 4 1 1 A 28 28 ARG CB C 28 30.995 31.548 -0.553 1
1 230 . 4 1 1 A 28 28 ARG N N 28 120.497 119.443 1.054 1
1 231 . 4 1 1 A 29 29 THR H H 29 8.786 7.680 1.106 1
1 232 . 4 1 1 A 29 29 THR HA H 29 4.291 4.447 -0.156 1
1 237 . 4 1 1 A 29 29 THR C C 29 170.391 173.525 -3.134 1
1 238 . 4 1 1 A 29 29 THR CA C 29 59.674 60.629 -0.955 1
1 239 . 4 1 1 A 29 29 THR CB C 29 68.880 71.393 -2.513 1
1 241 . 4 1 1 A 29 29 THR N N 29 114.915 112.036 2.879 1
1 242 . 4 1 1 A 30 30 HIS H H 30 8.292 8.451 -0.159 1
1 243 . 4 1 1 A 30 30 HIS HA H 30 4.420 3.048 1.372 1
1 248 . 4 1 1 A 30 30 HIS C C 30 174.569 174.202 0.367 1
1 249 . 4 1 1 A 30 30 HIS CA C 30 54.798 57.244 -2.446 1
1 250 . 4 1 1 A 30 30 HIS CB C 30 30.629 28.913 1.716 1
1 253 . 4 1 1 A 30 30 HIS N N 30 122.126 124.993 -2.867 1
1 254 . 4 1 1 A 31 31 TYR H H 31 8.179 7.240 0.939 1
1 255 . 4 1 1 A 31 31 TYR HA H 31 4.731 4.879 -0.148 1
1 262 . 4 1 1 A 31 31 TYR C C 31 172.551 172.889 -0.338 1
1 263 . 4 1 1 A 31 31 TYR CA C 31 55.259 55.020 0.239 1
1 264 . 4 1 1 A 31 31 TYR CB C 31 39.362 38.343 1.019 1
1 269 . 4 1 1 A 31 31 TYR N N 31 115.063 117.650 -2.587 1
1 270 . 4 1 1 A 32 32 PRO HA H 32 4.256 4.554 -0.298 1
1 277 . 4 1 1 A 32 32 PRO C C 32 177.388 176.984 0.404 1
1 278 . 4 1 1 A 32 32 PRO CA C 32 62.903 62.394 0.509 1
1 279 . 4 1 1 A 32 32 PRO CB C 32 30.896 31.330 -0.434 1
1 282 . 4 1 1 A 33 33 ASP H H 33 8.457 8.649 -0.192 1
1 283 . 4 1 1 A 33 33 ASP HA H 33 4.495 4.653 -0.158 1
1 286 . 4 1 1 A 33 33 ASP C C 33 175.824 177.510 -1.686 1
1 287 . 4 1 1 A 33 33 ASP CA C 33 52.776 54.317 -1.541 1
1 288 . 4 1 1 A 33 33 ASP CB C 33 41.174 41.847 -0.673 1
1 289 . 4 1 1 A 33 33 ASP N N 33 124.636 122.502 2.134 1
1 290 . 4 1 1 A 34 34 VAL H H 34 8.331 8.470 -0.139 1
1 291 . 4 1 1 A 34 34 VAL HA H 34 3.488 3.756 -0.268 1
1 299 . 4 1 1 A 34 34 VAL C C 34 176.133 177.314 -1.181 1
1 300 . 4 1 1 A 34 34 VAL CA C 34 66.176 65.283 0.893 1
1 301 . 4 1 1 A 34 34 VAL CB C 34 31.401 31.512 -0.111 1
1 304 . 4 1 1 A 34 34 VAL N N 34 117.908 123.784 -5.876 1
1 305 . 4 1 1 A 35 35 PHE H H 35 7.127 7.992 -0.865 1
1 306 . 4 1 1 A 35 35 PHE HA H 35 4.339 4.204 0.135 1
1 314 . 4 1 1 A 35 35 PHE C C 35 178.808 177.245 1.563 1
1 315 . 4 1 1 A 35 35 PHE CA C 35 60.335 61.245 -0.910 1
1 316 . 4 1 1 A 35 35 PHE CB C 35 37.927 38.075 -0.148 1
1 322 . 4 1 1 A 35 35 PHE N N 35 120.263 120.267 -0.004 1
1 323 . 4 1 1 A 36 36 ALA H H 36 8.428 8.113 0.315 1
1 324 . 4 1 1 A 36 36 ALA HA H 36 4.094 4.385 -0.291 1
1 328 . 4 1 1 A 36 36 ALA C C 36 181.812 179.115 2.697 1
1 329 . 4 1 1 A 36 36 ALA CA C 36 55.062 54.224 0.838 1
1 330 . 4 1 1 A 36 36 ALA CB C 36 18.484 19.334 -0.850 1
1 331 . 4 1 1 A 36 36 ALA N N 36 123.569 121.648 1.921 1
1 332 . 4 1 1 A 37 37 ARG H H 37 8.695 8.182 0.513 1
1 333 . 4 1 1 A 37 37 ARG HA H 37 3.920 3.968 -0.048 1
1 341 . 4 1 1 A 37 37 ARG C C 37 178.232 178.779 -0.547 1
1 342 . 4 1 1 A 37 37 ARG CA C 37 61.034 59.429 1.605 1
1 343 . 4 1 1 A 37 37 ARG CB C 37 31.263 29.666 1.597 1
1 346 . 4 1 1 A 37 37 ARG N N 37 117.907 117.558 0.349 1
1 348 . 4 1 1 A 38 38 GLU H H 38 8.531 8.573 -0.042 1
1 349 . 4 1 1 A 38 38 GLU HA H 38 4.051 4.105 -0.054 1
1 354 . 4 1 1 A 38 38 GLU C C 38 179.940 179.316 0.624 1
1 355 . 4 1 1 A 38 38 GLU CA C 38 59.765 59.210 0.555 1
1 356 . 4 1 1 A 38 38 GLU CB C 38 29.456 29.207 0.249 1
1 358 . 4 1 1 A 38 38 GLU N N 38 119.688 119.859 -0.171 1
1 359 . 4 1 1 A 39 39 ARG H H 39 8.096 8.002 0.094 1
1 360 . 4 1 1 A 39 39 ARG HA H 39 4.130 4.106 0.024 1
1 366 . 4 1 1 A 39 39 ARG C C 39 179.425 179.075 0.350 1
1 367 . 4 1 1 A 39 39 ARG CA C 39 59.368 58.922 0.446 1
1 368 . 4 1 1 A 39 39 ARG CB C 39 30.300 29.832 0.468 1
1 371 . 4 1 1 A 39 39 ARG N N 39 120.527 120.069 0.458 1
1 372 . 4 1 1 A 40 40 LEU H H 40 7.933 8.179 -0.246 1
1 373 . 4 1 1 A 40 40 LEU HA H 40 4.121 4.069 0.052 1
1 383 . 4 1 1 A 40 40 LEU C C 40 177.861 178.201 -0.340 1
1 384 . 4 1 1 A 40 40 LEU CA C 40 57.807 57.701 0.106 1
1 385 . 4 1 1 A 40 40 LEU CB C 40 42.446 41.237 1.209 1
1 389 . 4 1 1 A 40 40 LEU N N 40 121.371 121.564 -0.193 1
1 390 . 4 1 1 A 41 41 ALA H H 41 8.537 8.286 0.251 1
1 391 . 4 1 1 A 41 41 ALA HA H 41 4.102 3.955 0.147 1
1 395 . 4 1 1 A 41 41 ALA C C 41 180.372 179.112 1.260 1
1 396 . 4 1 1 A 41 41 ALA CA C 41 56.060 55.312 0.748 1
1 397 . 4 1 1 A 41 41 ALA CB C 41 18.892 18.362 0.530 1
1 398 . 4 1 1 A 41 41 ALA N N 41 121.892 120.404 1.488 1
1 399 . 4 1 1 A 42 42 ALA H H 42 7.400 7.367 0.033 1
1 400 . 4 1 1 A 42 42 ALA HA H 42 4.242 4.222 0.020 1
1 404 . 4 1 1 A 42 42 ALA C C 42 179.631 180.206 -0.575 1
1 405 . 4 1 1 A 42 42 ALA CA C 42 53.951 53.472 0.479 1
1 406 . 4 1 1 A 42 42 ALA CB C 42 18.484 19.149 -0.665 1
1 407 . 4 1 1 A 42 42 ALA N N 42 116.807 119.491 -2.684 1
1 408 . 4 1 1 A 43 43 LYS H H 43 7.781 8.308 -0.527 1
1 409 . 4 1 1 A 43 43 LYS HA H 43 4.229 4.078 0.151 1
1 417 . 4 1 1 A 43 43 LYS C C 43 178.746 177.911 0.835 1
1 418 . 4 1 1 A 43 43 LYS CA C 43 58.710 58.403 0.307 1
1 419 . 4 1 1 A 43 43 LYS CB C 43 33.610 32.572 1.038 1
1 423 . 4 1 1 A 43 43 LYS N N 43 118.433 118.491 -0.058 1
1 424 . 4 1 1 A 44 44 ILE H H 44 8.094 7.351 0.743 1
1 425 . 4 1 1 A 44 44 ILE HA H 44 4.655 4.408 0.247 1
1 435 . 4 1 1 A 44 44 ILE C C 44 175.042 175.065 -0.023 1
1 436 . 4 1 1 A 44 44 ILE CA C 44 60.606 60.017 0.589 1
1 437 . 4 1 1 A 44 44 ILE CB C 44 38.341 38.832 -0.491 1
1 441 . 4 1 1 A 44 44 ILE N N 44 108.112 111.655 -3.543 1
1 442 . 4 1 1 A 45 45 ASP H H 45 7.811 7.997 -0.186 1
1 443 . 4 1 1 A 45 45 ASP HA H 45 4.333 4.232 0.101 1
1 446 . 4 1 1 A 45 45 ASP C C 45 173.848 174.441 -0.593 1
1 447 . 4 1 1 A 45 45 ASP CA C 45 55.065 55.419 -0.354 1
1 448 . 4 1 1 A 45 45 ASP CB C 45 39.031 38.896 0.135 1
1 449 . 4 1 1 A 45 45 ASP N N 45 121.798 118.711 3.087 1
1 450 . 4 1 1 A 46 46 LEU H H 46 7.550 8.063 -0.513 1
1 451 . 4 1 1 A 46 46 LEU HA H 46 4.990 4.841 0.149 1
1 461 . 4 1 1 A 46 46 LEU C C 46 173.536 174.457 -0.921 1
1 462 . 4 1 1 A 46 46 LEU CA C 46 51.364 51.172 0.192 1
1 463 . 4 1 1 A 46 46 LEU CB C 46 47.443 44.882 2.561 1
1 467 . 4 1 1 A 46 46 LEU N N 46 118.454 119.166 -0.712 1
1 468 . 4 1 1 A 47 47 PRO HA H 47 4.548 4.728 -0.180 1
1 475 . 4 1 1 A 47 47 PRO C C 47 178.417 177.881 0.536 1
1 476 . 4 1 1 A 47 47 PRO CA C 47 62.268 62.876 -0.608 1
1 477 . 4 1 1 A 47 47 PRO CB C 47 32.600 32.038 0.562 1
1 480 . 4 1 1 A 48 48 GLU H H 48 9.253 9.059 0.194 1
1 481 . 4 1 1 A 48 48 GLU HA H 48 3.799 4.021 -0.222 1
1 486 . 4 1 1 A 48 48 GLU C C 48 178.273 178.357 -0.084 1
1 487 . 4 1 1 A 48 48 GLU CA C 48 61.083 59.511 1.572 1
1 488 . 4 1 1 A 48 48 GLU CB C 48 28.815 29.373 -0.558 1
1 490 . 4 1 1 A 48 48 GLU N N 48 126.081 124.576 1.505 1
1 491 . 4 1 1 A 49 49 ALA H H 49 8.923 8.218 0.705 1
1 492 . 4 1 1 A 49 49 ALA HA H 49 4.128 4.128 0.000 1
1 496 . 4 1 1 A 49 49 ALA C C 49 181.277 179.490 1.787 1
1 497 . 4 1 1 A 49 49 ALA CA C 49 55.569 55.040 0.529 1
1 498 . 4 1 1 A 49 49 ALA CB C 49 18.681 18.444 0.237 1
1 499 . 4 1 1 A 49 49 ALA N N 49 119.313 122.222 -2.909 1
1 500 . 4 1 1 A 50 50 ARG H H 50 7.417 8.296 -0.879 1
1 501 . 4 1 1 A 50 50 ARG HA H 50 4.348 4.178 0.170 1
1 508 . 4 1 1 A 50 50 ARG C C 50 179.425 178.578 0.847 1
1 509 . 4 1 1 A 50 50 ARG CA C 50 57.978 59.751 -1.773 1
1 510 . 4 1 1 A 50 50 ARG CB C 50 29.723 30.194 -0.471 1
1 513 . 4 1 1 A 50 50 ARG N N 50 114.567 117.953 -3.386 1
1 514 . 4 1 1 A 51 51 ILE H H 51 7.785 7.844 -0.059 1
1 515 . 4 1 1 A 51 51 ILE HA H 51 3.816 3.822 -0.006 1
1 525 . 4 1 1 A 51 51 ILE C C 51 178.088 178.157 -0.069 1
1 526 . 4 1 1 A 51 51 ILE CA C 51 65.848 65.414 0.434 1
1 527 . 4 1 1 A 51 51 ILE CB C 51 37.785 37.770 0.015 1
1 531 . 4 1 1 A 51 51 ILE N N 51 121.669 120.697 0.972 1
1 532 . 4 1 1 A 52 52 GLN H H 52 8.478 8.231 0.247 1
1 533 . 4 1 1 A 52 52 GLN HA H 52 4.423 4.037 0.386 1
1 539 . 4 1 1 A 52 52 GLN C C 52 179.364 178.842 0.522 1
1 540 . 4 1 1 A 52 52 GLN CA C 52 60.232 58.871 1.361 1
1 541 . 4 1 1 A 52 52 GLN CB C 52 28.945 28.195 0.750 1
1 543 . 4 1 1 A 52 52 GLN N N 52 118.943 118.119 0.824 1
1 545 . 4 1 1 A 53 53 VAL H H 53 7.582 8.335 -0.753 1
1 546 . 4 1 1 A 53 53 VAL HA H 53 3.842 3.724 0.118 1
1 554 . 4 1 1 A 53 53 VAL C C 53 177.800 178.223 -0.423 1
1 555 . 4 1 1 A 53 53 VAL CA C 53 66.633 66.499 0.134 1
1 556 . 4 1 1 A 53 53 VAL CB C 53 32.241 31.792 0.449 1
1 559 . 4 1 1 A 53 53 VAL N N 53 120.375 120.179 0.196 1
1 560 . 4 1 1 A 54 54 TRP H H 54 8.390 8.330 0.060 1
1 561 . 4 1 1 A 54 54 TRP HA H 54 4.050 4.194 -0.144 1
1 570 . 4 1 1 A 54 54 TRP C C 54 180.084 177.684 2.400 1
1 571 . 4 1 1 A 54 54 TRP CA C 54 63.229 60.731 2.498 1
1 572 . 4 1 1 A 54 54 TRP CB C 54 28.726 29.775 -1.049 1
1 578 . 4 1 1 A 54 54 TRP N N 54 121.414 121.442 -0.028 1
1 580 . 4 1 1 A 55 55 PHE H H 55 9.127 7.974 1.153 1
1 581 . 4 1 1 A 55 55 PHE HA H 55 3.771 4.670 -0.899 1
1 589 . 4 1 1 A 55 55 PHE C C 55 178.170 178.301 -0.131 1
1 590 . 4 1 1 A 55 55 PHE CA C 55 63.826 61.249 2.577 1
1 591 . 4 1 1 A 55 55 PHE CB C 55 39.195 39.574 -0.379 1
1 597 . 4 1 1 A 55 55 PHE N N 55 118.358 116.440 1.918 1
1 598 . 4 1 1 A 56 56 SER H H 56 8.267 8.610 -0.343 1
1 599 . 4 1 1 A 56 56 SER HA H 56 4.148 4.133 0.015 1
1 602 . 4 1 1 A 56 56 SER C C 56 178.376 177.286 1.090 1
1 603 . 4 1 1 A 56 56 SER CA C 56 62.578 61.755 0.823 1
1 604 . 4 1 1 A 56 56 SER CB C 56 62.412 63.021 -0.609 1
1 605 . 4 1 1 A 56 56 SER N N 56 115.049 116.026 -0.977 1
1 606 . 4 1 1 A 57 57 ASN H H 57 8.231 8.187 0.044 1
1 607 . 4 1 1 A 57 57 ASN HA H 57 4.411 4.527 -0.116 1
1 612 . 4 1 1 A 57 57 ASN C C 57 177.573 178.206 -0.633 1
1 613 . 4 1 1 A 57 57 ASN CA C 57 55.698 56.202 -0.504 1
1 614 . 4 1 1 A 57 57 ASN CB C 57 37.827 37.781 0.046 1
1 615 . 4 1 1 A 57 57 ASN N N 57 120.846 120.038 0.808 1
1 617 . 4 1 1 A 58 58 ARG H H 58 8.531 7.760 0.771 1
1 618 . 4 1 1 A 58 58 ARG HA H 58 3.533 3.675 -0.142 1
1 626 . 4 1 1 A 58 58 ARG C C 58 179.919 179.102 0.817 1
1 627 . 4 1 1 A 58 58 ARG CA C 58 56.451 59.626 -3.175 1
1 628 . 4 1 1 A 58 58 ARG CB C 58 27.981 29.773 -1.792 1
1 631 . 4 1 1 A 58 58 ARG N N 58 124.704 120.055 4.649 1
1 633 . 4 1 1 A 59 59 ARG H H 59 8.496 8.253 0.243 1
1 634 . 4 1 1 A 59 59 ARG HA H 59 4.072 4.222 -0.150 1
1 641 . 4 1 1 A 59 59 ARG C C 59 178.520 179.235 -0.715 1
1 642 . 4 1 1 A 59 59 ARG CA C 59 60.970 59.616 1.354 1
1 643 . 4 1 1 A 59 59 ARG CB C 59 31.601 30.235 1.366 1
1 646 . 4 1 1 A 59 59 ARG N N 59 120.108 119.799 0.309 1
1 647 . 4 1 1 A 60 60 ALA H H 60 7.487 8.143 -0.656 1
1 648 . 4 1 1 A 60 60 ALA HA H 60 4.197 4.131 0.066 1
1 652 . 4 1 1 A 60 60 ALA C C 60 180.475 179.932 0.543 1
1 653 . 4 1 1 A 60 60 ALA CA C 60 55.547 54.963 0.584 1
1 654 . 4 1 1 A 60 60 ALA CB C 60 17.635 18.369 -0.734 1
1 655 . 4 1 1 A 60 60 ALA N N 60 121.949 121.598 0.351 1
1 656 . 4 1 1 A 61 61 LYS H H 61 7.733 8.109 -0.376 1
1 657 . 4 1 1 A 61 61 LYS HA H 61 3.927 4.012 -0.085 1
1 666 . 4 1 1 A 61 61 LYS C C 61 177.656 178.773 -1.117 1
1 667 . 4 1 1 A 61 61 LYS CA C 61 59.590 58.799 0.791 1
1 668 . 4 1 1 A 61 61 LYS CB C 61 32.903 31.788 1.115 1
1 672 . 4 1 1 A 61 61 LYS N N 61 120.311 118.412 1.899 1
1 673 . 4 1 1 A 62 62 TRP H H 62 8.235 8.257 -0.022 1
1 674 . 4 1 1 A 62 62 TRP HA H 62 4.475 4.209 0.266 1
1 683 . 4 1 1 A 62 62 TRP C C 62 178.088 178.285 -0.197 1
1 684 . 4 1 1 A 62 62 TRP CA C 62 61.043 60.400 0.643 1
1 685 . 4 1 1 A 62 62 TRP CB C 62 29.113 29.608 -0.495 1
1 691 . 4 1 1 A 62 62 TRP N N 62 120.161 121.863 -1.702 1
1 693 . 4 1 1 A 63 63 ARG H H 63 8.579 8.951 -0.372 1
1 694 . 4 1 1 A 63 63 ARG HA H 63 3.762 3.875 -0.113 1
1 701 . 4 1 1 A 63 63 ARG C C 63 179.220 178.448 0.772 1
1 702 . 4 1 1 A 63 63 ARG CA C 63 59.644 59.384 0.260 1
1 703 . 4 1 1 A 63 63 ARG CB C 63 30.498 30.001 0.497 1
1 706 . 4 1 1 A 63 63 ARG N N 63 117.951 118.726 -0.775 1
1 707 . 4 1 1 A 64 64 ARG H H 64 7.754 7.688 0.066 1
1 708 . 4 1 1 A 64 64 ARG HA H 64 4.075 4.058 0.017 1
1 715 . 4 1 1 A 64 64 ARG C C 64 178.643 178.448 0.195 1
1 716 . 4 1 1 A 64 64 ARG CA C 64 59.313 58.930 0.383 1
1 717 . 4 1 1 A 64 64 ARG CB C 64 30.254 30.066 0.188 1
1 720 . 4 1 1 A 64 64 ARG N N 64 119.265 118.535 0.730 1
1 721 . 4 1 1 A 65 65 GLU H H 65 8.134 7.692 0.442 1
1 722 . 4 1 1 A 65 65 GLU HA H 65 3.988 4.049 -0.061 1
1 727 . 4 1 1 A 65 65 GLU C C 65 178.890 178.770 0.120 1
1 728 . 4 1 1 A 65 65 GLU CA C 65 58.891 59.056 -0.165 1
1 729 . 4 1 1 A 65 65 GLU CB C 65 29.228 29.606 -0.378 1
1 731 . 4 1 1 A 65 65 GLU N N 65 119.336 119.302 0.034 1
1 732 . 4 1 1 A 66 66 GLU H H 66 8.212 7.998 0.214 1
1 733 . 4 1 1 A 66 66 GLU HA H 66 3.804 3.733 0.071 1
1 738 . 4 1 1 A 66 66 GLU C C 66 178.273 178.420 -0.147 1
1 739 . 4 1 1 A 66 66 GLU CA C 66 58.714 58.761 -0.047 1
1 740 . 4 1 1 A 66 66 GLU CB C 66 29.493 28.870 0.623 1
1 742 . 4 1 1 A 66 66 GLU N N 66 121.135 119.834 1.301 1
1 743 . 4 1 1 A 67 67 LYS H H 67 7.663 7.568 0.095 1
1 744 . 4 1 1 A 67 67 LYS HA H 67 4.044 4.016 0.028 1
1 752 . 4 1 1 A 67 67 LYS C C 67 178.787 179.102 -0.315 1
1 753 . 4 1 1 A 67 67 LYS CA C 67 58.801 59.188 -0.387 1
1 754 . 4 1 1 A 67 67 LYS CB C 67 32.239 32.401 -0.162 1
1 758 . 4 1 1 A 67 67 LYS N N 67 119.200 119.739 -0.539 1
1 759 . 4 1 1 A 68 68 LEU H H 68 7.631 7.871 -0.240 1
1 760 . 4 1 1 A 68 68 LEU HA H 68 4.155 3.914 0.241 1
1 770 . 4 1 1 A 68 68 LEU C C 68 179.055 178.710 0.345 1
1 771 . 4 1 1 A 68 68 LEU CA C 68 56.903 57.787 -0.884 1
1 772 . 4 1 1 A 68 68 LEU CB C 68 41.850 41.400 0.450 1
1 776 . 4 1 1 A 68 68 LEU N N 68 118.976 119.586 -0.610 1
1 777 . 4 1 1 A 69 69 ARG H H 69 7.900 8.514 -0.614 1
1 778 . 4 1 1 A 69 69 ARG HA H 69 4.089 3.889 0.200 1
1 785 . 4 1 1 A 69 69 ARG C C 69 177.985 178.434 -0.449 1
1 786 . 4 1 1 A 69 69 ARG CA C 69 58.551 59.848 -1.297 1
1 787 . 4 1 1 A 69 69 ARG CB C 69 30.430 29.939 0.491 1
1 790 . 4 1 1 A 69 69 ARG N N 69 119.387 119.807 -0.420 1
1 791 . 4 1 1 A 70 70 ASN H H 70 8.088 8.216 -0.128 1
1 792 . 4 1 1 A 70 70 ASN HA H 70 4.633 4.404 0.229 1
1 797 . 4 1 1 A 70 70 ASN C C 70 176.194 177.444 -1.250 1
1 798 . 4 1 1 A 70 70 ASN CA C 70 54.463 56.437 -1.974 1
1 799 . 4 1 1 A 70 70 ASN CB C 70 38.805 38.882 -0.077 1
1 800 . 4 1 1 A 70 70 ASN N N 70 117.289 117.979 -0.690 1
1 802 . 4 1 1 A 71 71 GLN H H 71 8.017 8.020 -0.003 1
1 803 . 4 1 1 A 71 71 GLN HA H 71 4.263 3.888 0.375 1
1 810 . 4 1 1 A 71 71 GLN C C 71 176.750 177.597 -0.847 1
1 811 . 4 1 1 A 71 71 GLN CA C 71 57.031 59.237 -2.206 1
1 812 . 4 1 1 A 71 71 GLN CB C 71 29.122 28.296 0.826 1
1 814 . 4 1 1 A 71 71 GLN N N 71 119.838 117.833 2.005 1
1 816 . 4 1 1 A 72 72 ARG H H 72 8.125 7.634 0.491 1
1 817 . 4 1 1 A 72 72 ARG HA H 72 4.312 4.104 0.208 1
1 823 . 4 1 1 A 72 72 ARG C C 72 176.729 176.854 -0.125 1
1 824 . 4 1 1 A 72 72 ARG CA C 72 56.840 58.938 -2.098 1
1 825 . 4 1 1 A 72 72 ARG CB C 72 30.500 29.671 0.829 1
1 828 . 4 1 1 A 72 72 ARG N N 72 120.534 118.852 1.682 1
1 829 . 4 1 1 A 73 73 ARG H H 73 8.148 7.684 0.464 1
1 830 . 4 1 1 A 73 73 ARG HA H 73 4.412 4.011 0.401 1
1 836 . 4 1 1 A 73 73 ARG C C 73 176.552 177.413 -0.861 1
1 837 . 4 1 1 A 73 73 ARG CA C 73 56.445 56.831 -0.386 1
1 838 . 4 1 1 A 73 73 ARG CB C 73 30.676 31.180 -0.504 1
1 841 . 4 1 1 A 73 73 ARG N N 73 121.356 119.758 1.598 1
1 842 . 4 1 1 A 74 74 GLN HA H 74 4.334 3.959 0.375 1
1 846 . 4 1 1 A 74 74 GLN CA C 74 56.127 59.519 -3.392 1
1 847 . 4 1 1 A 74 74 GLN CB C 74 29.362 28.842 0.520 1
1 849 . 4 1 1 A 76 76 GLY HA2 H 76 4.168 4.092 0.076 1
1 850 . 4 1 1 A 76 76 GLY HA3 H 76 4.168 4.094 0.074 1
1 851 . 4 1 1 A 76 76 GLY CA C 76 44.736 45.024 -0.288 1
1 852 . 4 1 1 A 77 77 PRO HA H 77 4.502 4.725 -0.223 1
1 859 . 4 1 1 A 77 77 PRO CA C 77 63.330 62.660 0.670 1
1 860 . 4 1 1 A 77 77 PRO CB C 77 32.217 31.416 0.801 1
1 863 . 4 1 1 A 79 79 SER HA H 79 4.524 5.139 -0.615 1
1 865 . 4 1 1 A 79 79 SER C C 79 173.931 173.150 0.781 1
1 866 . 4 1 1 A 79 79 SER CA C 79 58.409 57.858 0.551 1
1 867 . 4 1 1 A 79 79 SER CB C 79 64.147 66.706 -2.559 1
1 1 . 5 1 1 A 8 8 GLN H H 8 8.925 8.672 0.253 1
1 2 . 5 1 1 A 8 8 GLN HA H 8 4.398 3.789 0.609 1
1 8 . 5 1 1 A 8 8 GLN CA C 8 56.051 57.011 -0.960 1
1 9 . 5 1 1 A 8 8 GLN CB C 8 29.491 26.715 2.776 1
1 12 . 5 1 1 A 12 12 THR HA H 12 4.352 4.580 -0.228 1
1 17 . 5 1 1 A 12 12 THR CA C 12 61.819 61.552 0.267 1
1 18 . 5 1 1 A 12 12 THR CB C 12 69.783 68.928 0.855 1
1 20 . 5 1 1 A 13 13 SER HA H 13 4.465 4.064 0.401 1
1 23 . 5 1 1 A 13 13 SER C C 13 173.828 174.813 -0.985 1
1 24 . 5 1 1 A 13 13 SER CA C 13 57.973 61.022 -3.049 1
1 25 . 5 1 1 A 13 13 SER CB C 13 64.246 62.882 1.364 1
1 26 . 5 1 1 A 14 14 PHE H H 14 8.322 8.095 0.227 1
1 27 . 5 1 1 A 14 14 PHE HA H 14 5.035 4.653 0.382 1
1 35 . 5 1 1 A 14 14 PHE C C 14 176.750 175.322 1.428 1
1 36 . 5 1 1 A 14 14 PHE CA C 14 56.624 58.257 -1.633 1
1 37 . 5 1 1 A 14 14 PHE CB C 14 41.174 39.789 1.385 1
1 43 . 5 1 1 A 14 14 PHE N N 14 121.036 118.594 2.442 1
1 44 . 5 1 1 A 15 15 THR H H 15 8.944 8.276 0.668 1
1 45 . 5 1 1 A 15 15 THR HA H 15 4.529 5.087 -0.558 1
1 50 . 5 1 1 A 15 15 THR C C 15 175.433 175.416 0.017 1
1 51 . 5 1 1 A 15 15 THR CA C 15 60.644 59.348 1.296 1
1 52 . 5 1 1 A 15 15 THR CB C 15 70.784 71.872 -1.088 1
1 54 . 5 1 1 A 15 15 THR N N 15 113.618 111.303 2.315 1
1 55 . 5 1 1 A 16 16 GLN H H 16 9.086 8.922 0.164 1
1 56 . 5 1 1 A 16 16 GLN HA H 16 4.016 4.023 -0.007 1
1 63 . 5 1 1 A 16 16 GLN C C 16 178.149 177.541 0.608 1
1 64 . 5 1 1 A 16 16 GLN CA C 16 59.283 59.257 0.026 1
1 65 . 5 1 1 A 16 16 GLN CB C 16 27.943 28.297 -0.354 1
1 67 . 5 1 1 A 16 16 GLN N N 16 121.415 121.235 0.180 1
1 69 . 5 1 1 A 17 17 GLU H H 17 8.837 8.287 0.550 1
1 70 . 5 1 1 A 17 17 GLU HA H 17 4.048 4.226 -0.178 1
1 75 . 5 1 1 A 17 17 GLU C C 17 180.248 178.635 1.613 1
1 76 . 5 1 1 A 17 17 GLU CA C 17 60.156 59.156 1.000 1
1 77 . 5 1 1 A 17 17 GLU CB C 17 29.125 29.309 -0.184 1
1 79 . 5 1 1 A 17 17 GLU N N 17 117.930 119.094 -1.164 1
1 80 . 5 1 1 A 18 18 GLN H H 18 7.738 8.234 -0.496 1
1 81 . 5 1 1 A 18 18 GLN HA H 18 3.809 4.248 -0.439 1
1 88 . 5 1 1 A 18 18 GLN C C 18 177.079 178.207 -1.128 1
1 89 . 5 1 1 A 18 18 GLN CA C 18 59.358 57.818 1.540 1
1 90 . 5 1 1 A 18 18 GLN CB C 18 27.338 29.253 -1.915 1
1 92 . 5 1 1 A 18 18 GLN N N 18 119.421 118.723 0.698 1
1 94 . 5 1 1 A 19 19 ILE H H 19 8.265 8.414 -0.149 1
1 95 . 5 1 1 A 19 19 ILE HA H 19 3.240 3.459 -0.219 1
1 105 . 5 1 1 A 19 19 ILE C C 19 177.409 177.782 -0.373 1
1 106 . 5 1 1 A 19 19 ILE CA C 19 64.693 65.194 -0.501 1
1 107 . 5 1 1 A 19 19 ILE CB C 19 37.544 37.476 0.068 1
1 111 . 5 1 1 A 19 19 ILE N N 19 118.326 121.092 -2.766 1
1 112 . 5 1 1 A 20 20 GLU H H 20 8.304 8.472 -0.168 1
1 113 . 5 1 1 A 20 20 GLU HA H 20 3.916 4.028 -0.112 1
1 118 . 5 1 1 A 20 20 GLU C C 20 179.281 178.349 0.932 1
1 119 . 5 1 1 A 20 20 GLU CA C 20 59.674 59.183 0.491 1
1 120 . 5 1 1 A 20 20 GLU CB C 20 29.369 29.181 0.188 1
1 122 . 5 1 1 A 20 20 GLU N N 20 117.948 120.118 -2.170 1
1 123 . 5 1 1 A 21 21 ALA H H 21 7.335 7.822 -0.487 1
1 124 . 5 1 1 A 21 21 ALA HA H 21 4.095 4.096 -0.001 1
1 128 . 5 1 1 A 21 21 ALA C C 21 180.825 179.915 0.910 1
1 129 . 5 1 1 A 21 21 ALA CA C 21 54.885 54.249 0.636 1
1 130 . 5 1 1 A 21 21 ALA CB C 21 19.190 18.339 0.851 1
1 131 . 5 1 1 A 21 21 ALA N N 21 120.460 122.189 -1.729 1
1 132 . 5 1 1 A 22 22 LEU H H 22 8.100 8.250 -0.150 1
1 133 . 5 1 1 A 22 22 LEU HA H 22 3.490 3.811 -0.321 1
1 143 . 5 1 1 A 22 22 LEU C C 22 177.861 178.917 -1.056 1
1 144 . 5 1 1 A 22 22 LEU CA C 22 58.530 57.093 1.437 1
1 145 . 5 1 1 A 22 22 LEU CB C 22 37.691 40.253 -2.562 1
1 149 . 5 1 1 A 22 22 LEU N N 22 122.412 119.886 2.526 1
1 150 . 5 1 1 A 23 23 GLU H H 23 8.534 8.271 0.263 1
1 151 . 5 1 1 A 23 23 GLU HA H 23 4.360 4.260 0.100 1
1 156 . 5 1 1 A 23 23 GLU C C 23 180.413 179.703 0.710 1
1 157 . 5 1 1 A 23 23 GLU CA C 23 59.072 59.644 -0.572 1
1 158 . 5 1 1 A 23 23 GLU CB C 23 28.905 29.889 -0.984 1
1 160 . 5 1 1 A 23 23 GLU N N 23 118.309 120.125 -1.816 1
1 161 . 5 1 1 A 24 24 LYS H H 24 7.898 7.856 0.042 1
1 162 . 5 1 1 A 24 24 LYS HA H 24 4.170 4.080 0.090 1
1 170 . 5 1 1 A 24 24 LYS C C 24 179.672 178.456 1.216 1
1 171 . 5 1 1 A 24 24 LYS CA C 24 59.144 59.271 -0.127 1
1 172 . 5 1 1 A 24 24 LYS CB C 24 32.082 32.083 -0.001 1
1 176 . 5 1 1 A 24 24 LYS N N 24 119.449 121.355 -1.906 1
1 177 . 5 1 1 A 25 25 GLU H H 25 7.887 7.596 0.291 1
1 178 . 5 1 1 A 25 25 GLU HA H 25 4.596 4.185 0.411 1
1 183 . 5 1 1 A 25 25 GLU C C 25 177.923 179.075 -1.152 1
1 184 . 5 1 1 A 25 25 GLU CA C 25 58.799 59.040 -0.241 1
1 185 . 5 1 1 A 25 25 GLU CB C 25 28.787 29.459 -0.672 1
1 187 . 5 1 1 A 25 25 GLU N N 25 121.941 118.736 3.205 1
1 188 . 5 1 1 A 26 26 PHE H H 26 8.843 8.246 0.597 1
1 189 . 5 1 1 A 26 26 PHE HA H 26 4.865 4.548 0.317 1
1 197 . 5 1 1 A 26 26 PHE C C 26 176.380 177.888 -1.508 1
1 198 . 5 1 1 A 26 26 PHE CA C 26 60.798 61.003 -0.205 1
1 199 . 5 1 1 A 26 26 PHE CB C 26 38.969 38.866 0.103 1
1 205 . 5 1 1 A 26 26 PHE N N 26 121.919 121.060 0.859 1
1 206 . 5 1 1 A 27 27 GLU H H 27 7.839 9.009 -1.170 1
1 207 . 5 1 1 A 27 27 GLU HA H 27 3.952 4.238 -0.286 1
1 212 . 5 1 1 A 27 27 GLU C C 27 178.335 178.238 0.097 1
1 213 . 5 1 1 A 27 27 GLU CA C 27 58.650 58.648 0.002 1
1 214 . 5 1 1 A 27 27 GLU CB C 27 29.772 28.228 1.544 1
1 216 . 5 1 1 A 27 27 GLU N N 27 115.144 117.372 -2.228 1
1 217 . 5 1 1 A 28 28 ARG H H 28 7.573 8.016 -0.443 1
1 218 . 5 1 1 A 28 28 ARG HA H 28 4.109 4.288 -0.179 1
1 225 . 5 1 1 A 28 28 ARG C C 28 177.059 175.606 1.453 1
1 226 . 5 1 1 A 28 28 ARG CA C 28 58.740 57.368 1.372 1
1 227 . 5 1 1 A 28 28 ARG CB C 28 30.995 31.618 -0.623 1
1 230 . 5 1 1 A 28 28 ARG N N 28 120.497 119.959 0.538 1
1 231 . 5 1 1 A 29 29 THR H H 29 8.786 7.398 1.388 1
1 232 . 5 1 1 A 29 29 THR HA H 29 4.291 4.422 -0.131 1
1 237 . 5 1 1 A 29 29 THR C C 29 170.391 173.561 -3.170 1
1 238 . 5 1 1 A 29 29 THR CA C 29 59.674 60.536 -0.862 1
1 239 . 5 1 1 A 29 29 THR CB C 29 68.880 71.376 -2.496 1
1 241 . 5 1 1 A 29 29 THR N N 29 114.915 111.827 3.088 1
1 242 . 5 1 1 A 30 30 HIS H H 30 8.292 8.378 -0.086 1
1 243 . 5 1 1 A 30 30 HIS HA H 30 4.420 3.723 0.697 1
1 248 . 5 1 1 A 30 30 HIS C C 30 174.569 174.462 0.107 1
1 249 . 5 1 1 A 30 30 HIS CA C 30 54.798 57.259 -2.461 1
1 250 . 5 1 1 A 30 30 HIS CB C 30 30.629 29.108 1.521 1
1 253 . 5 1 1 A 30 30 HIS N N 30 122.126 124.637 -2.511 1
1 254 . 5 1 1 A 31 31 TYR H H 31 8.179 7.278 0.901 1
1 255 . 5 1 1 A 31 31 TYR HA H 31 4.731 4.953 -0.222 1
1 262 . 5 1 1 A 31 31 TYR C C 31 172.551 173.040 -0.489 1
1 263 . 5 1 1 A 31 31 TYR CA C 31 55.259 54.952 0.307 1
1 264 . 5 1 1 A 31 31 TYR CB C 31 39.362 38.387 0.975 1
1 269 . 5 1 1 A 31 31 TYR N N 31 115.063 117.815 -2.752 1
1 270 . 5 1 1 A 32 32 PRO HA H 32 4.256 4.577 -0.321 1
1 277 . 5 1 1 A 32 32 PRO C C 32 177.388 176.906 0.482 1
1 278 . 5 1 1 A 32 32 PRO CA C 32 62.903 62.417 0.486 1
1 279 . 5 1 1 A 32 32 PRO CB C 32 30.896 31.324 -0.428 1
1 282 . 5 1 1 A 33 33 ASP H H 33 8.457 8.661 -0.204 1
1 283 . 5 1 1 A 33 33 ASP HA H 33 4.495 4.647 -0.152 1
1 286 . 5 1 1 A 33 33 ASP C C 33 175.824 177.539 -1.715 1
1 287 . 5 1 1 A 33 33 ASP CA C 33 52.776 54.516 -1.740 1
1 288 . 5 1 1 A 33 33 ASP CB C 33 41.174 41.983 -0.809 1
1 289 . 5 1 1 A 33 33 ASP N N 33 124.636 122.542 2.094 1
1 290 . 5 1 1 A 34 34 VAL H H 34 8.331 8.496 -0.165 1
1 291 . 5 1 1 A 34 34 VAL HA H 34 3.488 3.803 -0.315 1
1 299 . 5 1 1 A 34 34 VAL C C 34 176.133 177.431 -1.298 1
1 300 . 5 1 1 A 34 34 VAL CA C 34 66.176 65.270 0.906 1
1 301 . 5 1 1 A 34 34 VAL CB C 34 31.401 31.470 -0.069 1
1 304 . 5 1 1 A 34 34 VAL N N 34 117.908 123.823 -5.915 1
1 305 . 5 1 1 A 35 35 PHE H H 35 7.127 7.749 -0.622 1
1 306 . 5 1 1 A 35 35 PHE HA H 35 4.339 4.178 0.161 1
1 314 . 5 1 1 A 35 35 PHE C C 35 178.808 177.133 1.675 1
1 315 . 5 1 1 A 35 35 PHE CA C 35 60.335 61.577 -1.242 1
1 316 . 5 1 1 A 35 35 PHE CB C 35 37.927 37.811 0.116 1
1 322 . 5 1 1 A 35 35 PHE N N 35 120.263 120.381 -0.118 1
1 323 . 5 1 1 A 36 36 ALA H H 36 8.428 8.108 0.320 1
1 324 . 5 1 1 A 36 36 ALA HA H 36 4.094 4.419 -0.325 1
1 328 . 5 1 1 A 36 36 ALA C C 36 181.812 179.190 2.622 1
1 329 . 5 1 1 A 36 36 ALA CA C 36 55.062 54.375 0.687 1
1 330 . 5 1 1 A 36 36 ALA CB C 36 18.484 19.384 -0.900 1
1 331 . 5 1 1 A 36 36 ALA N N 36 123.569 121.801 1.768 1
1 332 . 5 1 1 A 37 37 ARG H H 37 8.695 8.092 0.603 1
1 333 . 5 1 1 A 37 37 ARG HA H 37 3.920 4.039 -0.119 1
1 341 . 5 1 1 A 37 37 ARG C C 37 178.232 178.759 -0.527 1
1 342 . 5 1 1 A 37 37 ARG CA C 37 61.034 59.689 1.345 1
1 343 . 5 1 1 A 37 37 ARG CB C 37 31.263 29.789 1.474 1
1 346 . 5 1 1 A 37 37 ARG N N 37 117.907 117.509 0.398 1
1 348 . 5 1 1 A 38 38 GLU H H 38 8.531 8.227 0.304 1
1 349 . 5 1 1 A 38 38 GLU HA H 38 4.051 4.085 -0.034 1
1 354 . 5 1 1 A 38 38 GLU C C 38 179.940 179.382 0.558 1
1 355 . 5 1 1 A 38 38 GLU CA C 38 59.765 59.298 0.467 1
1 356 . 5 1 1 A 38 38 GLU CB C 38 29.456 29.241 0.215 1
1 358 . 5 1 1 A 38 38 GLU N N 38 119.688 119.754 -0.066 1
1 359 . 5 1 1 A 39 39 ARG H H 39 8.096 8.069 0.027 1
1 360 . 5 1 1 A 39 39 ARG HA H 39 4.130 4.057 0.073 1
1 366 . 5 1 1 A 39 39 ARG C C 39 179.425 178.937 0.488 1
1 367 . 5 1 1 A 39 39 ARG CA C 39 59.368 58.966 0.402 1
1 368 . 5 1 1 A 39 39 ARG CB C 39 30.300 29.895 0.405 1
1 371 . 5 1 1 A 39 39 ARG N N 39 120.527 120.409 0.118 1
1 372 . 5 1 1 A 40 40 LEU H H 40 7.933 8.225 -0.292 1
1 373 . 5 1 1 A 40 40 LEU HA H 40 4.121 4.077 0.044 1
1 383 . 5 1 1 A 40 40 LEU C C 40 177.861 178.283 -0.422 1
1 384 . 5 1 1 A 40 40 LEU CA C 40 57.807 57.723 0.084 1
1 385 . 5 1 1 A 40 40 LEU CB C 40 42.446 41.295 1.151 1
1 389 . 5 1 1 A 40 40 LEU N N 40 121.371 121.476 -0.105 1
1 390 . 5 1 1 A 41 41 ALA H H 41 8.537 8.347 0.190 1
1 391 . 5 1 1 A 41 41 ALA HA H 41 4.102 4.189 -0.087 1
1 395 . 5 1 1 A 41 41 ALA C C 41 180.372 179.619 0.753 1
1 396 . 5 1 1 A 41 41 ALA CA C 41 56.060 55.604 0.456 1
1 397 . 5 1 1 A 41 41 ALA CB C 41 18.892 18.542 0.350 1
1 398 . 5 1 1 A 41 41 ALA N N 41 121.892 120.507 1.385 1
1 399 . 5 1 1 A 42 42 ALA H H 42 7.400 7.485 -0.085 1
1 400 . 5 1 1 A 42 42 ALA HA H 42 4.242 4.175 0.067 1
1 404 . 5 1 1 A 42 42 ALA C C 42 179.631 180.214 -0.583 1
1 405 . 5 1 1 A 42 42 ALA CA C 42 53.951 53.903 0.048 1
1 406 . 5 1 1 A 42 42 ALA CB C 42 18.484 18.758 -0.274 1
1 407 . 5 1 1 A 42 42 ALA N N 42 116.807 120.282 -3.475 1
1 408 . 5 1 1 A 43 43 LYS H H 43 7.781 8.265 -0.484 1
1 409 . 5 1 1 A 43 43 LYS HA H 43 4.229 4.079 0.150 1
1 417 . 5 1 1 A 43 43 LYS C C 43 178.746 178.021 0.725 1
1 418 . 5 1 1 A 43 43 LYS CA C 43 58.710 58.733 -0.023 1
1 419 . 5 1 1 A 43 43 LYS CB C 43 33.610 32.820 0.790 1
1 423 . 5 1 1 A 43 43 LYS N N 43 118.433 118.086 0.347 1
1 424 . 5 1 1 A 44 44 ILE H H 44 8.094 7.712 0.382 1
1 425 . 5 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 1
1 435 . 5 1 1 A 44 44 ILE C C 44 175.042 175.555 -0.513 1
1 436 . 5 1 1 A 44 44 ILE CA C 44 60.606 59.968 0.638 1
1 437 . 5 1 1 A 44 44 ILE CB C 44 38.341 37.562 0.779 1
1 441 . 5 1 1 A 44 44 ILE N N 44 108.112 111.393 -3.281 1
1 442 . 5 1 1 A 45 45 ASP H H 45 7.811 8.130 -0.319 1
1 443 . 5 1 1 A 45 45 ASP HA H 45 4.333 4.228 0.105 1
1 446 . 5 1 1 A 45 45 ASP C C 45 173.848 174.540 -0.692 1
1 447 . 5 1 1 A 45 45 ASP CA C 45 55.065 55.069 -0.004 1
1 448 . 5 1 1 A 45 45 ASP CB C 45 39.031 39.680 -0.649 1
1 449 . 5 1 1 A 45 45 ASP N N 45 121.798 121.638 0.160 1
1 450 . 5 1 1 A 46 46 LEU H H 46 7.550 7.984 -0.434 1
1 451 . 5 1 1 A 46 46 LEU HA H 46 4.990 4.833 0.157 1
1 461 . 5 1 1 A 46 46 LEU C C 46 173.536 174.689 -1.153 1
1 462 . 5 1 1 A 46 46 LEU CA C 46 51.364 51.126 0.238 1
1 463 . 5 1 1 A 46 46 LEU CB C 46 47.443 44.704 2.739 1
1 467 . 5 1 1 A 46 46 LEU N N 46 118.454 119.230 -0.776 1
1 468 . 5 1 1 A 47 47 PRO HA H 47 4.548 4.670 -0.122 1
1 475 . 5 1 1 A 47 47 PRO C C 47 178.417 177.894 0.523 1
1 476 . 5 1 1 A 47 47 PRO CA C 47 62.268 62.782 -0.514 1
1 477 . 5 1 1 A 47 47 PRO CB C 47 32.600 32.148 0.452 1
1 480 . 5 1 1 A 48 48 GLU H H 48 9.253 9.039 0.214 1
1 481 . 5 1 1 A 48 48 GLU HA H 48 3.799 4.024 -0.225 1
1 486 . 5 1 1 A 48 48 GLU C C 48 178.273 178.318 -0.045 1
1 487 . 5 1 1 A 48 48 GLU CA C 48 61.083 59.406 1.677 1
1 488 . 5 1 1 A 48 48 GLU CB C 48 28.815 29.461 -0.646 1
1 490 . 5 1 1 A 48 48 GLU N N 48 126.081 124.430 1.651 1
1 491 . 5 1 1 A 49 49 ALA H H 49 8.923 8.080 0.843 1
1 492 . 5 1 1 A 49 49 ALA HA H 49 4.128 4.203 -0.075 1
1 496 . 5 1 1 A 49 49 ALA C C 49 181.277 179.471 1.806 1
1 497 . 5 1 1 A 49 49 ALA CA C 49 55.569 54.947 0.622 1
1 498 . 5 1 1 A 49 49 ALA CB C 49 18.681 18.512 0.169 1
1 499 . 5 1 1 A 49 49 ALA N N 49 119.313 122.534 -3.221 1
1 500 . 5 1 1 A 50 50 ARG H H 50 7.417 8.102 -0.685 1
1 501 . 5 1 1 A 50 50 ARG HA H 50 4.348 4.182 0.166 1
1 508 . 5 1 1 A 50 50 ARG C C 50 179.425 178.659 0.766 1
1 509 . 5 1 1 A 50 50 ARG CA C 50 57.978 59.691 -1.713 1
1 510 . 5 1 1 A 50 50 ARG CB C 50 29.723 30.337 -0.614 1
1 513 . 5 1 1 A 50 50 ARG N N 50 114.567 117.978 -3.411 1
1 514 . 5 1 1 A 51 51 ILE H H 51 7.785 8.015 -0.230 1
1 515 . 5 1 1 A 51 51 ILE HA H 51 3.816 3.928 -0.112 1
1 525 . 5 1 1 A 51 51 ILE C C 51 178.088 178.264 -0.176 1
1 526 . 5 1 1 A 51 51 ILE CA C 51 65.848 65.468 0.380 1
1 527 . 5 1 1 A 51 51 ILE CB C 51 37.785 37.788 -0.003 1
1 531 . 5 1 1 A 51 51 ILE N N 51 121.669 120.871 0.798 1
1 532 . 5 1 1 A 52 52 GLN H H 52 8.478 8.209 0.269 1
1 533 . 5 1 1 A 52 52 GLN HA H 52 4.423 4.042 0.381 1
1 539 . 5 1 1 A 52 52 GLN C C 52 179.364 179.061 0.303 1
1 540 . 5 1 1 A 52 52 GLN CA C 52 60.232 58.880 1.352 1
1 541 . 5 1 1 A 52 52 GLN CB C 52 28.945 28.338 0.607 1
1 543 . 5 1 1 A 52 52 GLN N N 52 118.943 118.322 0.621 1
1 545 . 5 1 1 A 53 53 VAL H H 53 7.582 8.149 -0.567 1
1 546 . 5 1 1 A 53 53 VAL HA H 53 3.842 3.685 0.157 1
1 554 . 5 1 1 A 53 53 VAL C C 53 177.800 178.255 -0.455 1
1 555 . 5 1 1 A 53 53 VAL CA C 53 66.633 66.874 -0.241 1
1 556 . 5 1 1 A 53 53 VAL CB C 53 32.241 31.797 0.444 1
1 559 . 5 1 1 A 53 53 VAL N N 53 120.375 120.328 0.047 1
1 560 . 5 1 1 A 54 54 TRP H H 54 8.390 8.394 -0.004 1
1 561 . 5 1 1 A 54 54 TRP HA H 54 4.050 4.030 0.020 1
1 570 . 5 1 1 A 54 54 TRP C C 54 180.084 178.001 2.083 1
1 571 . 5 1 1 A 54 54 TRP CA C 54 63.229 60.939 2.290 1
1 572 . 5 1 1 A 54 54 TRP CB C 54 28.726 29.627 -0.901 1
1 578 . 5 1 1 A 54 54 TRP N N 54 121.414 121.385 0.029 1
1 580 . 5 1 1 A 55 55 PHE H H 55 9.127 8.229 0.898 1
1 581 . 5 1 1 A 55 55 PHE HA H 55 3.771 4.487 -0.716 1
1 589 . 5 1 1 A 55 55 PHE C C 55 178.170 178.392 -0.222 1
1 590 . 5 1 1 A 55 55 PHE CA C 55 63.826 61.795 2.031 1
1 591 . 5 1 1 A 55 55 PHE CB C 55 39.195 38.966 0.229 1
1 597 . 5 1 1 A 55 55 PHE N N 55 118.358 116.956 1.402 1
1 598 . 5 1 1 A 56 56 SER H H 56 8.267 8.531 -0.264 1
1 599 . 5 1 1 A 56 56 SER HA H 56 4.148 4.154 -0.006 1
1 602 . 5 1 1 A 56 56 SER C C 56 178.376 177.367 1.009 1
1 603 . 5 1 1 A 56 56 SER CA C 56 62.578 61.751 0.827 1
1 604 . 5 1 1 A 56 56 SER CB C 56 62.412 62.963 -0.551 1
1 605 . 5 1 1 A 56 56 SER N N 56 115.049 115.817 -0.768 1
1 606 . 5 1 1 A 57 57 ASN H H 57 8.231 8.304 -0.073 1
1 607 . 5 1 1 A 57 57 ASN HA H 57 4.411 4.465 -0.054 1
1 612 . 5 1 1 A 57 57 ASN C C 57 177.573 178.224 -0.651 1
1 613 . 5 1 1 A 57 57 ASN CA C 57 55.698 56.150 -0.452 1
1 614 . 5 1 1 A 57 57 ASN CB C 57 37.827 37.751 0.076 1
1 615 . 5 1 1 A 57 57 ASN N N 57 120.846 119.959 0.887 1
1 617 . 5 1 1 A 58 58 ARG H H 58 8.531 7.418 1.113 1
1 618 . 5 1 1 A 58 58 ARG HA H 58 3.533 3.534 -0.001 1
1 626 . 5 1 1 A 58 58 ARG C C 58 179.919 178.986 0.933 1
1 627 . 5 1 1 A 58 58 ARG CA C 58 56.451 59.533 -3.082 1
1 628 . 5 1 1 A 58 58 ARG CB C 58 27.981 29.480 -1.499 1
1 631 . 5 1 1 A 58 58 ARG N N 58 124.704 119.881 4.823 1
1 633 . 5 1 1 A 59 59 ARG H H 59 8.496 8.078 0.418 1
1 634 . 5 1 1 A 59 59 ARG HA H 59 4.072 4.178 -0.106 1
1 641 . 5 1 1 A 59 59 ARG C C 59 178.520 179.203 -0.683 1
1 642 . 5 1 1 A 59 59 ARG CA C 59 60.970 59.593 1.377 1
1 643 . 5 1 1 A 59 59 ARG CB C 59 31.601 30.061 1.540 1
1 646 . 5 1 1 A 59 59 ARG N N 59 120.108 119.603 0.505 1
1 647 . 5 1 1 A 60 60 ALA H H 60 7.487 8.156 -0.669 1
1 648 . 5 1 1 A 60 60 ALA HA H 60 4.197 4.107 0.090 1
1 652 . 5 1 1 A 60 60 ALA C C 60 180.475 179.980 0.495 1
1 653 . 5 1 1 A 60 60 ALA CA C 60 55.547 54.994 0.553 1
1 654 . 5 1 1 A 60 60 ALA CB C 60 17.635 18.258 -0.623 1
1 655 . 5 1 1 A 60 60 ALA N N 60 121.949 121.500 0.449 1
1 656 . 5 1 1 A 61 61 LYS H H 61 7.733 8.146 -0.413 1
1 657 . 5 1 1 A 61 61 LYS HA H 61 3.927 4.010 -0.083 1
1 666 . 5 1 1 A 61 61 LYS C C 61 177.656 178.681 -1.025 1
1 667 . 5 1 1 A 61 61 LYS CA C 61 59.590 58.824 0.766 1
1 668 . 5 1 1 A 61 61 LYS CB C 61 32.903 31.800 1.103 1
1 672 . 5 1 1 A 61 61 LYS N N 61 120.311 118.152 2.159 1
1 673 . 5 1 1 A 62 62 TRP H H 62 8.235 8.140 0.095 1
1 674 . 5 1 1 A 62 62 TRP HA H 62 4.475 4.253 0.222 1
1 683 . 5 1 1 A 62 62 TRP C C 62 178.088 178.417 -0.329 1
1 684 . 5 1 1 A 62 62 TRP CA C 62 61.043 60.437 0.606 1
1 685 . 5 1 1 A 62 62 TRP CB C 62 29.113 29.455 -0.342 1
1 691 . 5 1 1 A 62 62 TRP N N 62 120.161 121.735 -1.574 1
1 693 . 5 1 1 A 63 63 ARG H H 63 8.579 8.640 -0.061 1
1 694 . 5 1 1 A 63 63 ARG HA H 63 3.762 3.767 -0.005 1
1 701 . 5 1 1 A 63 63 ARG C C 63 179.220 178.705 0.515 1
1 702 . 5 1 1 A 63 63 ARG CA C 63 59.644 59.413 0.231 1
1 703 . 5 1 1 A 63 63 ARG CB C 63 30.498 29.962 0.536 1
1 706 . 5 1 1 A 63 63 ARG N N 63 117.951 119.369 -1.418 1
1 707 . 5 1 1 A 64 64 ARG H H 64 7.754 7.994 -0.240 1
1 708 . 5 1 1 A 64 64 ARG HA H 64 4.075 4.012 0.063 1
1 715 . 5 1 1 A 64 64 ARG C C 64 178.643 178.628 0.015 1
1 716 . 5 1 1 A 64 64 ARG CA C 64 59.313 59.064 0.249 1
1 717 . 5 1 1 A 64 64 ARG CB C 64 30.254 29.813 0.441 1
1 720 . 5 1 1 A 64 64 ARG N N 64 119.265 118.713 0.552 1
1 721 . 5 1 1 A 65 65 GLU H H 65 8.134 7.670 0.464 1
1 722 . 5 1 1 A 65 65 GLU HA H 65 3.988 4.062 -0.074 1
1 727 . 5 1 1 A 65 65 GLU C C 65 178.890 178.815 0.075 1
1 728 . 5 1 1 A 65 65 GLU CA C 65 58.891 59.068 -0.177 1
1 729 . 5 1 1 A 65 65 GLU CB C 65 29.228 29.532 -0.304 1
1 731 . 5 1 1 A 65 65 GLU N N 65 119.336 119.202 0.134 1
1 732 . 5 1 1 A 66 66 GLU H H 66 8.212 8.007 0.205 1
1 733 . 5 1 1 A 66 66 GLU HA H 66 3.804 3.743 0.061 1
1 738 . 5 1 1 A 66 66 GLU C C 66 178.273 178.551 -0.278 1
1 739 . 5 1 1 A 66 66 GLU CA C 66 58.714 58.888 -0.174 1
1 740 . 5 1 1 A 66 66 GLU CB C 66 29.493 28.773 0.720 1
1 742 . 5 1 1 A 66 66 GLU N N 66 121.135 119.853 1.282 1
1 743 . 5 1 1 A 67 67 LYS H H 67 7.663 7.690 -0.027 1
1 744 . 5 1 1 A 67 67 LYS HA H 67 4.044 4.004 0.040 1
1 752 . 5 1 1 A 67 67 LYS C C 67 178.787 178.562 0.225 1
1 753 . 5 1 1 A 67 67 LYS CA C 67 58.801 59.215 -0.414 1
1 754 . 5 1 1 A 67 67 LYS CB C 67 32.239 32.085 0.154 1
1 758 . 5 1 1 A 67 67 LYS N N 67 119.200 119.735 -0.535 1
1 759 . 5 1 1 A 68 68 LEU H H 68 7.631 7.737 -0.106 1
1 760 . 5 1 1 A 68 68 LEU HA H 68 4.155 3.869 0.286 1
1 770 . 5 1 1 A 68 68 LEU C C 68 179.055 179.276 -0.221 1
1 771 . 5 1 1 A 68 68 LEU CA C 68 56.903 57.976 -1.073 1
1 772 . 5 1 1 A 68 68 LEU CB C 68 41.850 41.537 0.313 1
1 776 . 5 1 1 A 68 68 LEU N N 68 118.976 119.540 -0.564 1
1 777 . 5 1 1 A 69 69 ARG H H 69 7.900 7.940 -0.040 1
1 778 . 5 1 1 A 69 69 ARG HA H 69 4.089 4.073 0.016 1
1 785 . 5 1 1 A 69 69 ARG C C 69 177.985 179.490 -1.505 1
1 786 . 5 1 1 A 69 69 ARG CA C 69 58.551 59.354 -0.803 1
1 787 . 5 1 1 A 69 69 ARG CB C 69 30.430 30.186 0.244 1
1 790 . 5 1 1 A 69 69 ARG N N 69 119.387 119.169 0.218 1
1 791 . 5 1 1 A 70 70 ASN H H 70 8.088 8.077 0.011 1
1 792 . 5 1 1 A 70 70 ASN HA H 70 4.633 4.413 0.220 1
1 797 . 5 1 1 A 70 70 ASN C C 70 176.194 178.640 -2.446 1
1 798 . 5 1 1 A 70 70 ASN CA C 70 54.463 55.734 -1.271 1
1 799 . 5 1 1 A 70 70 ASN CB C 70 38.805 38.253 0.552 1
1 800 . 5 1 1 A 70 70 ASN N N 70 117.289 118.286 -0.997 1
1 802 . 5 1 1 A 71 71 GLN H H 71 8.017 7.907 0.110 1
1 803 . 5 1 1 A 71 71 GLN HA H 71 4.263 4.045 0.218 1
1 810 . 5 1 1 A 71 71 GLN C C 71 176.750 179.107 -2.357 1
1 811 . 5 1 1 A 71 71 GLN CA C 71 57.031 58.860 -1.829 1
1 812 . 5 1 1 A 71 71 GLN CB C 71 29.122 28.271 0.851 1
1 814 . 5 1 1 A 71 71 GLN N N 71 119.838 120.731 -0.893 1
1 816 . 5 1 1 A 72 72 ARG H H 72 8.125 7.746 0.379 1
1 817 . 5 1 1 A 72 72 ARG HA H 72 4.312 4.016 0.296 1
1 823 . 5 1 1 A 72 72 ARG C C 72 176.729 175.807 0.922 1
1 824 . 5 1 1 A 72 72 ARG CA C 72 56.840 58.829 -1.989 1
1 825 . 5 1 1 A 72 72 ARG CB C 72 30.500 29.912 0.588 1
1 828 . 5 1 1 A 72 72 ARG N N 72 120.534 120.250 0.284 1
1 829 . 5 1 1 A 73 73 ARG H H 73 8.148 7.214 0.934 1
1 830 . 5 1 1 A 73 73 ARG HA H 73 4.412 4.735 -0.323 1
1 836 . 5 1 1 A 73 73 ARG C C 73 176.552 175.738 0.814 1
1 837 . 5 1 1 A 73 73 ARG CA C 73 56.445 55.145 1.300 1
1 838 . 5 1 1 A 73 73 ARG CB C 73 30.676 32.102 -1.426 1
1 841 . 5 1 1 A 73 73 ARG N N 73 121.356 115.224 6.132 1
1 842 . 5 1 1 A 74 74 GLN HA H 74 4.334 4.434 -0.100 1
1 846 . 5 1 1 A 74 74 GLN CA C 74 56.127 55.953 0.174 1
1 847 . 5 1 1 A 74 74 GLN CB C 74 29.362 29.001 0.361 1
1 849 . 5 1 1 A 76 76 GLY HA2 H 76 4.168 4.030 0.138 1
1 850 . 5 1 1 A 76 76 GLY HA3 H 76 4.168 4.032 0.136 1
1 851 . 5 1 1 A 76 76 GLY CA C 76 44.736 44.547 0.189 1
1 852 . 5 1 1 A 77 77 PRO HA H 77 4.502 4.615 -0.113 1
1 859 . 5 1 1 A 77 77 PRO CA C 77 63.330 62.637 0.693 1
1 860 . 5 1 1 A 77 77 PRO CB C 77 32.217 32.337 -0.120 1
1 863 . 5 1 1 A 79 79 SER HA H 79 4.524 4.420 0.104 1
1 865 . 5 1 1 A 79 79 SER C C 79 173.931 175.803 -1.872 1
1 866 . 5 1 1 A 79 79 SER CA C 79 58.409 58.001 0.408 1
1 867 . 5 1 1 A 79 79 SER CB C 79 64.147 64.338 -0.191 1
1 1 . 6 1 1 A 8 8 GLN H H 8 8.925 8.486 0.439 1
1 2 . 6 1 1 A 8 8 GLN HA H 8 4.398 4.687 -0.289 1
1 8 . 6 1 1 A 8 8 GLN CA C 8 56.051 55.881 0.170 1
1 9 . 6 1 1 A 8 8 GLN CB C 8 29.491 31.181 -1.690 1
1 12 . 6 1 1 A 12 12 THR HA H 12 4.352 4.327 0.025 1
1 17 . 6 1 1 A 12 12 THR CA C 12 61.819 62.938 -1.119 1
1 18 . 6 1 1 A 12 12 THR CB C 12 69.783 68.157 1.626 1
1 20 . 6 1 1 A 13 13 SER HA H 13 4.465 4.244 0.221 1
1 23 . 6 1 1 A 13 13 SER C C 13 173.828 175.306 -1.478 1
1 24 . 6 1 1 A 13 13 SER CA C 13 57.973 62.132 -4.159 1
1 25 . 6 1 1 A 13 13 SER CB C 13 64.246 63.061 1.185 1
1 26 . 6 1 1 A 14 14 PHE H H 14 8.322 7.808 0.514 1
1 27 . 6 1 1 A 14 14 PHE HA H 14 5.035 4.606 0.429 1
1 35 . 6 1 1 A 14 14 PHE C C 14 176.750 175.372 1.378 1
1 36 . 6 1 1 A 14 14 PHE CA C 14 56.624 58.501 -1.877 1
1 37 . 6 1 1 A 14 14 PHE CB C 14 41.174 39.327 1.847 1
1 43 . 6 1 1 A 14 14 PHE N N 14 121.036 118.815 2.221 1
1 44 . 6 1 1 A 15 15 THR H H 15 8.944 8.392 0.552 1
1 45 . 6 1 1 A 15 15 THR HA H 15 4.529 5.085 -0.556 1
1 50 . 6 1 1 A 15 15 THR C C 15 175.433 175.447 -0.014 1
1 51 . 6 1 1 A 15 15 THR CA C 15 60.644 59.349 1.295 1
1 52 . 6 1 1 A 15 15 THR CB C 15 70.784 71.873 -1.089 1
1 54 . 6 1 1 A 15 15 THR N N 15 113.618 110.980 2.638 1
1 55 . 6 1 1 A 16 16 GLN H H 16 9.086 8.947 0.139 1
1 56 . 6 1 1 A 16 16 GLN HA H 16 4.016 4.016 0.000 1
1 63 . 6 1 1 A 16 16 GLN C C 16 178.149 177.544 0.605 1
1 64 . 6 1 1 A 16 16 GLN CA C 16 59.283 59.255 0.028 1
1 65 . 6 1 1 A 16 16 GLN CB C 16 27.943 28.234 -0.291 1
1 67 . 6 1 1 A 16 16 GLN N N 16 121.415 121.285 0.130 1
1 69 . 6 1 1 A 17 17 GLU H H 17 8.837 8.289 0.548 1
1 70 . 6 1 1 A 17 17 GLU HA H 17 4.048 4.111 -0.063 1
1 75 . 6 1 1 A 17 17 GLU C C 17 180.248 178.881 1.367 1
1 76 . 6 1 1 A 17 17 GLU CA C 17 60.156 59.105 1.051 1
1 77 . 6 1 1 A 17 17 GLU CB C 17 29.125 29.372 -0.247 1
1 79 . 6 1 1 A 17 17 GLU N N 17 117.930 119.327 -1.397 1
1 80 . 6 1 1 A 18 18 GLN H H 18 7.738 8.172 -0.434 1
1 81 . 6 1 1 A 18 18 GLN HA H 18 3.809 4.236 -0.427 1
1 88 . 6 1 1 A 18 18 GLN C C 18 177.079 178.033 -0.954 1
1 89 . 6 1 1 A 18 18 GLN CA C 18 59.358 57.851 1.507 1
1 90 . 6 1 1 A 18 18 GLN CB C 18 27.338 29.296 -1.958 1
1 92 . 6 1 1 A 18 18 GLN N N 18 119.421 118.729 0.692 1
1 94 . 6 1 1 A 19 19 ILE H H 19 8.265 8.457 -0.192 1
1 95 . 6 1 1 A 19 19 ILE HA H 19 3.240 3.520 -0.280 1
1 105 . 6 1 1 A 19 19 ILE C C 19 177.409 177.845 -0.436 1
1 106 . 6 1 1 A 19 19 ILE CA C 19 64.693 65.106 -0.413 1
1 107 . 6 1 1 A 19 19 ILE CB C 19 37.544 37.441 0.103 1
1 111 . 6 1 1 A 19 19 ILE N N 19 118.326 120.609 -2.283 1
1 112 . 6 1 1 A 20 20 GLU H H 20 8.304 8.434 -0.130 1
1 113 . 6 1 1 A 20 20 GLU HA H 20 3.916 4.018 -0.102 1
1 118 . 6 1 1 A 20 20 GLU C C 20 179.281 178.413 0.868 1
1 119 . 6 1 1 A 20 20 GLU CA C 20 59.674 59.097 0.577 1
1 120 . 6 1 1 A 20 20 GLU CB C 20 29.369 29.240 0.129 1
1 122 . 6 1 1 A 20 20 GLU N N 20 117.948 120.064 -2.116 1
1 123 . 6 1 1 A 21 21 ALA H H 21 7.335 7.794 -0.459 1
1 124 . 6 1 1 A 21 21 ALA HA H 21 4.095 4.078 0.017 1
1 128 . 6 1 1 A 21 21 ALA C C 21 180.825 179.840 0.985 1
1 129 . 6 1 1 A 21 21 ALA CA C 21 54.885 54.267 0.618 1
1 130 . 6 1 1 A 21 21 ALA CB C 21 19.190 18.411 0.779 1
1 131 . 6 1 1 A 21 21 ALA N N 21 120.460 122.201 -1.741 1
1 132 . 6 1 1 A 22 22 LEU H H 22 8.100 8.209 -0.109 1
1 133 . 6 1 1 A 22 22 LEU HA H 22 3.490 3.729 -0.239 1
1 143 . 6 1 1 A 22 22 LEU C C 22 177.861 178.902 -1.041 1
1 144 . 6 1 1 A 22 22 LEU CA C 22 58.530 57.012 1.518 1
1 145 . 6 1 1 A 22 22 LEU CB C 22 37.691 40.366 -2.675 1
1 149 . 6 1 1 A 22 22 LEU N N 22 122.412 119.929 2.483 1
1 150 . 6 1 1 A 23 23 GLU H H 23 8.534 8.123 0.411 1
1 151 . 6 1 1 A 23 23 GLU HA H 23 4.360 4.240 0.120 1
1 156 . 6 1 1 A 23 23 GLU C C 23 180.413 179.540 0.873 1
1 157 . 6 1 1 A 23 23 GLU CA C 23 59.072 59.267 -0.195 1
1 158 . 6 1 1 A 23 23 GLU CB C 23 28.905 29.929 -1.024 1
1 160 . 6 1 1 A 23 23 GLU N N 23 118.309 120.010 -1.701 1
1 161 . 6 1 1 A 24 24 LYS H H 24 7.898 7.921 -0.023 1
1 162 . 6 1 1 A 24 24 LYS HA H 24 4.170 4.080 0.090 1
1 170 . 6 1 1 A 24 24 LYS C C 24 179.672 178.464 1.208 1
1 171 . 6 1 1 A 24 24 LYS CA C 24 59.144 59.140 0.004 1
1 172 . 6 1 1 A 24 24 LYS CB C 24 32.082 32.119 -0.037 1
1 176 . 6 1 1 A 24 24 LYS N N 24 119.449 121.362 -1.913 1
1 177 . 6 1 1 A 25 25 GLU H H 25 7.887 7.584 0.303 1
1 178 . 6 1 1 A 25 25 GLU HA H 25 4.596 4.161 0.435 1
1 183 . 6 1 1 A 25 25 GLU C C 25 177.923 179.124 -1.201 1
1 184 . 6 1 1 A 25 25 GLU CA C 25 58.799 59.075 -0.276 1
1 185 . 6 1 1 A 25 25 GLU CB C 25 28.787 29.304 -0.517 1
1 187 . 6 1 1 A 25 25 GLU N N 25 121.941 118.769 3.172 1
1 188 . 6 1 1 A 26 26 PHE H H 26 8.843 8.471 0.372 1
1 189 . 6 1 1 A 26 26 PHE HA H 26 4.865 4.662 0.203 1
1 197 . 6 1 1 A 26 26 PHE C C 26 176.380 177.665 -1.285 1
1 198 . 6 1 1 A 26 26 PHE CA C 26 60.798 61.291 -0.493 1
1 199 . 6 1 1 A 26 26 PHE CB C 26 38.969 38.840 0.129 1
1 205 . 6 1 1 A 26 26 PHE N N 26 121.919 121.004 0.915 1
1 206 . 6 1 1 A 27 27 GLU H H 27 7.839 8.999 -1.160 1
1 207 . 6 1 1 A 27 27 GLU HA H 27 3.952 4.224 -0.272 1
1 212 . 6 1 1 A 27 27 GLU C C 27 178.335 178.531 -0.196 1
1 213 . 6 1 1 A 27 27 GLU CA C 27 58.650 59.200 -0.550 1
1 214 . 6 1 1 A 27 27 GLU CB C 27 29.772 28.573 1.199 1
1 216 . 6 1 1 A 27 27 GLU N N 27 115.144 117.625 -2.481 1
1 217 . 6 1 1 A 28 28 ARG H H 28 7.573 7.935 -0.362 1
1 218 . 6 1 1 A 28 28 ARG HA H 28 4.109 4.253 -0.144 1
1 225 . 6 1 1 A 28 28 ARG C C 28 177.059 175.621 1.438 1
1 226 . 6 1 1 A 28 28 ARG CA C 28 58.740 57.545 1.195 1
1 227 . 6 1 1 A 28 28 ARG CB C 28 30.995 31.723 -0.728 1
1 230 . 6 1 1 A 28 28 ARG N N 28 120.497 120.179 0.318 1
1 231 . 6 1 1 A 29 29 THR H H 29 8.786 7.655 1.131 1
1 232 . 6 1 1 A 29 29 THR HA H 29 4.291 4.467 -0.176 1
1 237 . 6 1 1 A 29 29 THR C C 29 170.391 173.344 -2.953 1
1 238 . 6 1 1 A 29 29 THR CA C 29 59.674 60.357 -0.683 1
1 239 . 6 1 1 A 29 29 THR CB C 29 68.880 71.504 -2.624 1
1 241 . 6 1 1 A 29 29 THR N N 29 114.915 111.741 3.174 1
1 242 . 6 1 1 A 30 30 HIS H H 30 8.292 8.385 -0.093 1
1 243 . 6 1 1 A 30 30 HIS HA H 30 4.420 3.733 0.687 1
1 248 . 6 1 1 A 30 30 HIS C C 30 174.569 174.488 0.081 1
1 249 . 6 1 1 A 30 30 HIS CA C 30 54.798 56.884 -2.086 1
1 250 . 6 1 1 A 30 30 HIS CB C 30 30.629 29.155 1.474 1
1 253 . 6 1 1 A 30 30 HIS N N 30 122.126 124.418 -2.292 1
1 254 . 6 1 1 A 31 31 TYR H H 31 8.179 7.272 0.907 1
1 255 . 6 1 1 A 31 31 TYR HA H 31 4.731 4.899 -0.168 1
1 262 . 6 1 1 A 31 31 TYR C C 31 172.551 173.016 -0.465 1
1 263 . 6 1 1 A 31 31 TYR CA C 31 55.259 54.995 0.264 1
1 264 . 6 1 1 A 31 31 TYR CB C 31 39.362 38.347 1.015 1
1 269 . 6 1 1 A 31 31 TYR N N 31 115.063 117.717 -2.654 1
1 270 . 6 1 1 A 32 32 PRO HA H 32 4.256 4.618 -0.362 1
1 277 . 6 1 1 A 32 32 PRO C C 32 177.388 176.895 0.493 1
1 278 . 6 1 1 A 32 32 PRO CA C 32 62.903 62.400 0.503 1
1 279 . 6 1 1 A 32 32 PRO CB C 32 30.896 31.331 -0.435 1
1 282 . 6 1 1 A 33 33 ASP H H 33 8.457 8.603 -0.146 1
1 283 . 6 1 1 A 33 33 ASP HA H 33 4.495 4.638 -0.143 1
1 286 . 6 1 1 A 33 33 ASP C C 33 175.824 177.537 -1.713 1
1 287 . 6 1 1 A 33 33 ASP CA C 33 52.776 54.517 -1.741 1
1 288 . 6 1 1 A 33 33 ASP CB C 33 41.174 41.911 -0.737 1
1 289 . 6 1 1 A 33 33 ASP N N 33 124.636 122.591 2.045 1
1 290 . 6 1 1 A 34 34 VAL H H 34 8.331 8.500 -0.169 1
1 291 . 6 1 1 A 34 34 VAL HA H 34 3.488 3.832 -0.344 1
1 299 . 6 1 1 A 34 34 VAL C C 34 176.133 177.444 -1.311 1
1 300 . 6 1 1 A 34 34 VAL CA C 34 66.176 65.172 1.004 1
1 301 . 6 1 1 A 34 34 VAL CB C 34 31.401 31.471 -0.070 1
1 304 . 6 1 1 A 34 34 VAL N N 34 117.908 124.147 -6.239 1
1 305 . 6 1 1 A 35 35 PHE H H 35 7.127 7.737 -0.610 1
1 306 . 6 1 1 A 35 35 PHE HA H 35 4.339 4.184 0.155 1
1 314 . 6 1 1 A 35 35 PHE C C 35 178.808 177.051 1.757 1
1 315 . 6 1 1 A 35 35 PHE CA C 35 60.335 61.301 -0.966 1
1 316 . 6 1 1 A 35 35 PHE CB C 35 37.927 37.740 0.187 1
1 322 . 6 1 1 A 35 35 PHE N N 35 120.263 120.369 -0.106 1
1 323 . 6 1 1 A 36 36 ALA H H 36 8.428 8.015 0.413 1
1 324 . 6 1 1 A 36 36 ALA HA H 36 4.094 4.410 -0.316 1
1 328 . 6 1 1 A 36 36 ALA C C 36 181.812 179.220 2.592 1
1 329 . 6 1 1 A 36 36 ALA CA C 36 55.062 54.312 0.750 1
1 330 . 6 1 1 A 36 36 ALA CB C 36 18.484 19.540 -1.056 1
1 331 . 6 1 1 A 36 36 ALA N N 36 123.569 122.072 1.497 1
1 332 . 6 1 1 A 37 37 ARG H H 37 8.695 8.070 0.625 1
1 333 . 6 1 1 A 37 37 ARG HA H 37 3.920 4.022 -0.102 1
1 341 . 6 1 1 A 37 37 ARG C C 37 178.232 178.821 -0.589 1
1 342 . 6 1 1 A 37 37 ARG CA C 37 61.034 59.689 1.345 1
1 343 . 6 1 1 A 37 37 ARG CB C 37 31.263 29.877 1.386 1
1 346 . 6 1 1 A 37 37 ARG N N 37 117.907 117.639 0.268 1
1 348 . 6 1 1 A 38 38 GLU H H 38 8.531 8.129 0.402 1
1 349 . 6 1 1 A 38 38 GLU HA H 38 4.051 4.099 -0.048 1
1 354 . 6 1 1 A 38 38 GLU C C 38 179.940 179.372 0.568 1
1 355 . 6 1 1 A 38 38 GLU CA C 38 59.765 59.268 0.497 1
1 356 . 6 1 1 A 38 38 GLU CB C 38 29.456 29.363 0.093 1
1 358 . 6 1 1 A 38 38 GLU N N 38 119.688 119.813 -0.125 1
1 359 . 6 1 1 A 39 39 ARG H H 39 8.096 8.072 0.024 1
1 360 . 6 1 1 A 39 39 ARG HA H 39 4.130 4.064 0.066 1
1 366 . 6 1 1 A 39 39 ARG C C 39 179.425 178.973 0.452 1
1 367 . 6 1 1 A 39 39 ARG CA C 39 59.368 59.014 0.354 1
1 368 . 6 1 1 A 39 39 ARG CB C 39 30.300 29.879 0.421 1
1 371 . 6 1 1 A 39 39 ARG N N 39 120.527 120.433 0.094 1
1 372 . 6 1 1 A 40 40 LEU H H 40 7.933 8.178 -0.245 1
1 373 . 6 1 1 A 40 40 LEU HA H 40 4.121 4.106 0.015 1
1 383 . 6 1 1 A 40 40 LEU C C 40 177.861 178.259 -0.398 1
1 384 . 6 1 1 A 40 40 LEU CA C 40 57.807 57.415 0.392 1
1 385 . 6 1 1 A 40 40 LEU CB C 40 42.446 41.434 1.012 1
1 389 . 6 1 1 A 40 40 LEU N N 40 121.371 121.491 -0.120 1
1 390 . 6 1 1 A 41 41 ALA H H 41 8.537 8.204 0.333 1
1 391 . 6 1 1 A 41 41 ALA HA H 41 4.102 4.161 -0.059 1
1 395 . 6 1 1 A 41 41 ALA C C 41 180.372 179.181 1.191 1
1 396 . 6 1 1 A 41 41 ALA CA C 41 56.060 55.418 0.642 1
1 397 . 6 1 1 A 41 41 ALA CB C 41 18.892 18.451 0.441 1
1 398 . 6 1 1 A 41 41 ALA N N 41 121.892 120.588 1.304 1
1 399 . 6 1 1 A 42 42 ALA H H 42 7.400 7.273 0.127 1
1 400 . 6 1 1 A 42 42 ALA HA H 42 4.242 4.217 0.025 1
1 404 . 6 1 1 A 42 42 ALA C C 42 179.631 180.180 -0.549 1
1 405 . 6 1 1 A 42 42 ALA CA C 42 53.951 53.282 0.669 1
1 406 . 6 1 1 A 42 42 ALA CB C 42 18.484 19.222 -0.738 1
1 407 . 6 1 1 A 42 42 ALA N N 42 116.807 119.506 -2.699 1
1 408 . 6 1 1 A 43 43 LYS H H 43 7.781 8.270 -0.489 1
1 409 . 6 1 1 A 43 43 LYS HA H 43 4.229 4.072 0.157 1
1 417 . 6 1 1 A 43 43 LYS C C 43 178.746 177.882 0.864 1
1 418 . 6 1 1 A 43 43 LYS CA C 43 58.710 58.650 0.060 1
1 419 . 6 1 1 A 43 43 LYS CB C 43 33.610 32.473 1.137 1
1 423 . 6 1 1 A 43 43 LYS N N 43 118.433 118.481 -0.048 1
1 424 . 6 1 1 A 44 44 ILE H H 44 8.094 7.309 0.785 1
1 425 . 6 1 1 A 44 44 ILE HA H 44 4.655 4.398 0.257 1
1 435 . 6 1 1 A 44 44 ILE C C 44 175.042 175.322 -0.280 1
1 436 . 6 1 1 A 44 44 ILE CA C 44 60.606 60.288 0.318 1
1 437 . 6 1 1 A 44 44 ILE CB C 44 38.341 39.322 -0.981 1
1 441 . 6 1 1 A 44 44 ILE N N 44 108.112 111.673 -3.561 1
1 442 . 6 1 1 A 45 45 ASP H H 45 7.811 8.217 -0.406 1
1 443 . 6 1 1 A 45 45 ASP HA H 45 4.333 4.238 0.095 1
1 446 . 6 1 1 A 45 45 ASP C C 45 173.848 174.617 -0.769 1
1 447 . 6 1 1 A 45 45 ASP CA C 45 55.065 55.131 -0.066 1
1 448 . 6 1 1 A 45 45 ASP CB C 45 39.031 39.547 -0.516 1
1 449 . 6 1 1 A 45 45 ASP N N 45 121.798 121.994 -0.196 1
1 450 . 6 1 1 A 46 46 LEU H H 46 7.550 7.895 -0.345 1
1 451 . 6 1 1 A 46 46 LEU HA H 46 4.990 4.859 0.131 1
1 461 . 6 1 1 A 46 46 LEU C C 46 173.536 174.433 -0.897 1
1 462 . 6 1 1 A 46 46 LEU CA C 46 51.364 51.177 0.187 1
1 463 . 6 1 1 A 46 46 LEU CB C 46 47.443 44.840 2.603 1
1 467 . 6 1 1 A 46 46 LEU N N 46 118.454 119.152 -0.698 1
1 468 . 6 1 1 A 47 47 PRO HA H 47 4.548 4.679 -0.131 1
1 475 . 6 1 1 A 47 47 PRO C C 47 178.417 177.898 0.519 1
1 476 . 6 1 1 A 47 47 PRO CA C 47 62.268 62.798 -0.530 1
1 477 . 6 1 1 A 47 47 PRO CB C 47 32.600 32.177 0.423 1
1 480 . 6 1 1 A 48 48 GLU H H 48 9.253 9.041 0.212 1
1 481 . 6 1 1 A 48 48 GLU HA H 48 3.799 4.028 -0.229 1
1 486 . 6 1 1 A 48 48 GLU C C 48 178.273 178.386 -0.113 1
1 487 . 6 1 1 A 48 48 GLU CA C 48 61.083 59.406 1.677 1
1 488 . 6 1 1 A 48 48 GLU CB C 48 28.815 29.460 -0.645 1
1 490 . 6 1 1 A 48 48 GLU N N 48 126.081 124.426 1.655 1
1 491 . 6 1 1 A 49 49 ALA H H 49 8.923 8.088 0.835 1
1 492 . 6 1 1 A 49 49 ALA HA H 49 4.128 4.182 -0.054 1
1 496 . 6 1 1 A 49 49 ALA C C 49 181.277 179.591 1.686 1
1 497 . 6 1 1 A 49 49 ALA CA C 49 55.569 55.049 0.520 1
1 498 . 6 1 1 A 49 49 ALA CB C 49 18.681 18.295 0.386 1
1 499 . 6 1 1 A 49 49 ALA N N 49 119.313 122.469 -3.156 1
1 500 . 6 1 1 A 50 50 ARG H H 50 7.417 8.098 -0.681 1
1 501 . 6 1 1 A 50 50 ARG HA H 50 4.348 4.176 0.172 1
1 508 . 6 1 1 A 50 50 ARG C C 50 179.425 178.554 0.871 1
1 509 . 6 1 1 A 50 50 ARG CA C 50 57.978 59.664 -1.686 1
1 510 . 6 1 1 A 50 50 ARG CB C 50 29.723 30.293 -0.570 1
1 513 . 6 1 1 A 50 50 ARG N N 50 114.567 117.952 -3.385 1
1 514 . 6 1 1 A 51 51 ILE H H 51 7.785 7.939 -0.154 1
1 515 . 6 1 1 A 51 51 ILE HA H 51 3.816 3.828 -0.012 1
1 525 . 6 1 1 A 51 51 ILE C C 51 178.088 178.113 -0.025 1
1 526 . 6 1 1 A 51 51 ILE CA C 51 65.848 65.326 0.522 1
1 527 . 6 1 1 A 51 51 ILE CB C 51 37.785 37.838 -0.053 1
1 531 . 6 1 1 A 51 51 ILE N N 51 121.669 121.108 0.561 1
1 532 . 6 1 1 A 52 52 GLN H H 52 8.478 8.250 0.228 1
1 533 . 6 1 1 A 52 52 GLN HA H 52 4.423 4.017 0.406 1
1 539 . 6 1 1 A 52 52 GLN C C 52 179.364 178.877 0.487 1
1 540 . 6 1 1 A 52 52 GLN CA C 52 60.232 58.882 1.350 1
1 541 . 6 1 1 A 52 52 GLN CB C 52 28.945 28.361 0.584 1
1 543 . 6 1 1 A 52 52 GLN N N 52 118.943 118.316 0.627 1
1 545 . 6 1 1 A 53 53 VAL H H 53 7.582 8.095 -0.513 1
1 546 . 6 1 1 A 53 53 VAL HA H 53 3.842 3.725 0.117 1
1 554 . 6 1 1 A 53 53 VAL C C 53 177.800 178.199 -0.399 1
1 555 . 6 1 1 A 53 53 VAL CA C 53 66.633 66.867 -0.234 1
1 556 . 6 1 1 A 53 53 VAL CB C 53 32.241 31.736 0.505 1
1 559 . 6 1 1 A 53 53 VAL N N 53 120.375 120.463 -0.088 1
1 560 . 6 1 1 A 54 54 TRP H H 54 8.390 8.483 -0.093 1
1 561 . 6 1 1 A 54 54 TRP HA H 54 4.050 4.179 -0.129 1
1 570 . 6 1 1 A 54 54 TRP C C 54 180.084 178.300 1.784 1
1 571 . 6 1 1 A 54 54 TRP CA C 54 63.229 61.019 2.210 1
1 572 . 6 1 1 A 54 54 TRP CB C 54 28.726 29.765 -1.039 1
1 578 . 6 1 1 A 54 54 TRP N N 54 121.414 121.199 0.215 1
1 580 . 6 1 1 A 55 55 PHE H H 55 9.127 8.390 0.737 1
1 581 . 6 1 1 A 55 55 PHE HA H 55 3.771 4.519 -0.748 1
1 589 . 6 1 1 A 55 55 PHE C C 55 178.170 178.389 -0.219 1
1 590 . 6 1 1 A 55 55 PHE CA C 55 63.826 61.647 2.179 1
1 591 . 6 1 1 A 55 55 PHE CB C 55 39.195 38.944 0.251 1
1 597 . 6 1 1 A 55 55 PHE N N 55 118.358 116.944 1.414 1
1 598 . 6 1 1 A 56 56 SER H H 56 8.267 8.385 -0.118 1
1 599 . 6 1 1 A 56 56 SER HA H 56 4.148 4.226 -0.078 1
1 602 . 6 1 1 A 56 56 SER C C 56 178.376 177.429 0.947 1
1 603 . 6 1 1 A 56 56 SER CA C 56 62.578 61.730 0.848 1
1 604 . 6 1 1 A 56 56 SER CB C 56 62.412 63.044 -0.632 1
1 605 . 6 1 1 A 56 56 SER N N 56 115.049 115.839 -0.790 1
1 606 . 6 1 1 A 57 57 ASN H H 57 8.231 8.315 -0.084 1
1 607 . 6 1 1 A 57 57 ASN HA H 57 4.411 4.396 0.015 1
1 612 . 6 1 1 A 57 57 ASN C C 57 177.573 178.247 -0.674 1
1 613 . 6 1 1 A 57 57 ASN CA C 57 55.698 56.285 -0.587 1
1 614 . 6 1 1 A 57 57 ASN CB C 57 37.827 37.671 0.156 1
1 615 . 6 1 1 A 57 57 ASN N N 57 120.846 119.987 0.859 1
1 617 . 6 1 1 A 58 58 ARG H H 58 8.531 7.548 0.983 1
1 618 . 6 1 1 A 58 58 ARG HA H 58 3.533 3.522 0.011 1
1 626 . 6 1 1 A 58 58 ARG C C 58 179.919 179.116 0.803 1
1 627 . 6 1 1 A 58 58 ARG CA C 58 56.451 59.616 -3.165 1
1 628 . 6 1 1 A 58 58 ARG CB C 58 27.981 29.441 -1.460 1
1 631 . 6 1 1 A 58 58 ARG N N 58 124.704 119.094 5.610 1
1 633 . 6 1 1 A 59 59 ARG H H 59 8.496 8.084 0.412 1
1 634 . 6 1 1 A 59 59 ARG HA H 59 4.072 4.229 -0.157 1
1 641 . 6 1 1 A 59 59 ARG C C 59 178.520 179.155 -0.635 1
1 642 . 6 1 1 A 59 59 ARG CA C 59 60.970 59.668 1.302 1
1 643 . 6 1 1 A 59 59 ARG CB C 59 31.601 29.871 1.730 1
1 646 . 6 1 1 A 59 59 ARG N N 59 120.108 119.699 0.409 1
1 647 . 6 1 1 A 60 60 ALA H H 60 7.487 8.073 -0.586 1
1 648 . 6 1 1 A 60 60 ALA HA H 60 4.197 4.118 0.079 1
1 652 . 6 1 1 A 60 60 ALA C C 60 180.475 179.530 0.945 1
1 653 . 6 1 1 A 60 60 ALA CA C 60 55.547 55.095 0.452 1
1 654 . 6 1 1 A 60 60 ALA CB C 60 17.635 18.308 -0.673 1
1 655 . 6 1 1 A 60 60 ALA N N 60 121.949 121.728 0.221 1
1 656 . 6 1 1 A 61 61 LYS H H 61 7.733 7.906 -0.173 1
1 657 . 6 1 1 A 61 61 LYS HA H 61 3.927 4.034 -0.107 1
1 666 . 6 1 1 A 61 61 LYS C C 61 177.656 178.956 -1.300 1
1 667 . 6 1 1 A 61 61 LYS CA C 61 59.590 58.864 0.726 1
1 668 . 6 1 1 A 61 61 LYS CB C 61 32.903 31.870 1.033 1
1 672 . 6 1 1 A 61 61 LYS N N 61 120.311 118.392 1.919 1
1 673 . 6 1 1 A 62 62 TRP H H 62 8.235 8.502 -0.267 1
1 674 . 6 1 1 A 62 62 TRP HA H 62 4.475 4.202 0.273 1
1 683 . 6 1 1 A 62 62 TRP C C 62 178.088 178.672 -0.584 1
1 684 . 6 1 1 A 62 62 TRP CA C 62 61.043 60.512 0.531 1
1 685 . 6 1 1 A 62 62 TRP CB C 62 29.113 29.769 -0.656 1
1 691 . 6 1 1 A 62 62 TRP N N 62 120.161 121.786 -1.625 1
1 693 . 6 1 1 A 63 63 ARG H H 63 8.579 8.516 0.063 1
1 694 . 6 1 1 A 63 63 ARG HA H 63 3.762 3.830 -0.068 1
1 701 . 6 1 1 A 63 63 ARG C C 63 179.220 178.853 0.367 1
1 702 . 6 1 1 A 63 63 ARG CA C 63 59.644 59.032 0.612 1
1 703 . 6 1 1 A 63 63 ARG CB C 63 30.498 29.828 0.670 1
1 706 . 6 1 1 A 63 63 ARG N N 63 117.951 119.109 -1.158 1
1 707 . 6 1 1 A 64 64 ARG H H 64 7.754 7.907 -0.153 1
1 708 . 6 1 1 A 64 64 ARG HA H 64 4.075 4.042 0.033 1
1 715 . 6 1 1 A 64 64 ARG C C 64 178.643 178.516 0.127 1
1 716 . 6 1 1 A 64 64 ARG CA C 64 59.313 59.010 0.303 1
1 717 . 6 1 1 A 64 64 ARG CB C 64 30.254 29.880 0.374 1
1 720 . 6 1 1 A 64 64 ARG N N 64 119.265 118.776 0.489 1
1 721 . 6 1 1 A 65 65 GLU H H 65 8.134 8.268 -0.134 1
1 722 . 6 1 1 A 65 65 GLU HA H 65 3.988 4.050 -0.062 1
1 727 . 6 1 1 A 65 65 GLU C C 65 178.890 178.656 0.234 1
1 728 . 6 1 1 A 65 65 GLU CA C 65 58.891 59.065 -0.174 1
1 729 . 6 1 1 A 65 65 GLU CB C 65 29.228 29.364 -0.136 1
1 731 . 6 1 1 A 65 65 GLU N N 65 119.336 119.205 0.131 1
1 732 . 6 1 1 A 66 66 GLU H H 66 8.212 7.806 0.406 1
1 733 . 6 1 1 A 66 66 GLU HA H 66 3.804 3.770 0.034 1
1 738 . 6 1 1 A 66 66 GLU C C 66 178.273 178.547 -0.274 1
1 739 . 6 1 1 A 66 66 GLU CA C 66 58.714 59.107 -0.393 1
1 740 . 6 1 1 A 66 66 GLU CB C 66 29.493 28.817 0.676 1
1 742 . 6 1 1 A 66 66 GLU N N 66 121.135 119.973 1.162 1
1 743 . 6 1 1 A 67 67 LYS H H 67 7.663 7.627 0.036 1
1 744 . 6 1 1 A 67 67 LYS HA H 67 4.044 4.060 -0.016 1
1 752 . 6 1 1 A 67 67 LYS C C 67 178.787 178.886 -0.099 1
1 753 . 6 1 1 A 67 67 LYS CA C 67 58.801 59.241 -0.440 1
1 754 . 6 1 1 A 67 67 LYS CB C 67 32.239 32.058 0.181 1
1 758 . 6 1 1 A 67 67 LYS N N 67 119.200 119.837 -0.637 1
1 759 . 6 1 1 A 68 68 LEU H H 68 7.631 7.747 -0.116 1
1 760 . 6 1 1 A 68 68 LEU HA H 68 4.155 3.833 0.322 1
1 770 . 6 1 1 A 68 68 LEU C C 68 179.055 178.984 0.071 1
1 771 . 6 1 1 A 68 68 LEU CA C 68 56.903 57.799 -0.896 1
1 772 . 6 1 1 A 68 68 LEU CB C 68 41.850 41.315 0.535 1
1 776 . 6 1 1 A 68 68 LEU N N 68 118.976 119.792 -0.816 1
1 777 . 6 1 1 A 69 69 ARG H H 69 7.900 8.136 -0.236 1
1 778 . 6 1 1 A 69 69 ARG HA H 69 4.089 3.806 0.283 1
1 785 . 6 1 1 A 69 69 ARG C C 69 177.985 178.420 -0.435 1
1 786 . 6 1 1 A 69 69 ARG CA C 69 58.551 59.676 -1.125 1
1 787 . 6 1 1 A 69 69 ARG CB C 69 30.430 29.890 0.540 1
1 790 . 6 1 1 A 69 69 ARG N N 69 119.387 120.114 -0.727 1
1 791 . 6 1 1 A 70 70 ASN H H 70 8.088 8.334 -0.246 1
1 792 . 6 1 1 A 70 70 ASN HA H 70 4.633 4.446 0.187 1
1 797 . 6 1 1 A 70 70 ASN C C 70 176.194 177.999 -1.805 1
1 798 . 6 1 1 A 70 70 ASN CA C 70 54.463 56.480 -2.017 1
1 799 . 6 1 1 A 70 70 ASN CB C 70 38.805 38.646 0.159 1
1 800 . 6 1 1 A 70 70 ASN N N 70 117.289 117.684 -0.395 1
1 802 . 6 1 1 A 71 71 GLN H H 71 8.017 8.013 0.004 1
1 803 . 6 1 1 A 71 71 GLN HA H 71 4.263 4.163 0.100 1
1 810 . 6 1 1 A 71 71 GLN C C 71 176.750 176.467 0.283 1
1 811 . 6 1 1 A 71 71 GLN CA C 71 57.031 58.159 -1.128 1
1 812 . 6 1 1 A 71 71 GLN CB C 71 29.122 28.581 0.541 1
1 814 . 6 1 1 A 71 71 GLN N N 71 119.838 118.510 1.328 1
1 816 . 6 1 1 A 72 72 ARG H H 72 8.125 7.403 0.722 1
1 817 . 6 1 1 A 72 72 ARG HA H 72 4.312 4.503 -0.191 1
1 823 . 6 1 1 A 72 72 ARG C C 72 176.729 176.014 0.715 1
1 824 . 6 1 1 A 72 72 ARG CA C 72 56.840 55.089 1.751 1
1 825 . 6 1 1 A 72 72 ARG CB C 72 30.500 30.378 0.122 1
1 828 . 6 1 1 A 72 72 ARG N N 72 120.534 119.400 1.134 1
1 829 . 6 1 1 A 73 73 ARG H H 73 8.148 7.952 0.196 1
1 830 . 6 1 1 A 73 73 ARG HA H 73 4.412 3.984 0.428 1
1 836 . 6 1 1 A 73 73 ARG C C 73 176.552 176.514 0.038 1
1 837 . 6 1 1 A 73 73 ARG CA C 73 56.445 56.997 -0.552 1
1 838 . 6 1 1 A 73 73 ARG CB C 73 30.676 28.048 2.628 1
1 841 . 6 1 1 A 73 73 ARG N N 73 121.356 118.926 2.430 1
1 842 . 6 1 1 A 74 74 GLN HA H 74 4.334 4.250 0.084 1
1 846 . 6 1 1 A 74 74 GLN CA C 74 56.127 57.957 -1.830 1
1 847 . 6 1 1 A 74 74 GLN CB C 74 29.362 29.885 -0.523 1
1 849 . 6 1 1 A 76 76 GLY HA2 H 76 4.168 4.156 0.012 1
1 850 . 6 1 1 A 76 76 GLY HA3 H 76 4.168 4.157 0.011 1
1 851 . 6 1 1 A 76 76 GLY CA C 76 44.736 45.254 -0.518 1
1 852 . 6 1 1 A 77 77 PRO HA H 77 4.502 4.717 -0.215 1
1 859 . 6 1 1 A 77 77 PRO CA C 77 63.330 62.733 0.597 1
1 860 . 6 1 1 A 77 77 PRO CB C 77 32.217 31.561 0.656 1
1 863 . 6 1 1 A 79 79 SER HA H 79 4.524 4.891 -0.367 1
1 865 . 6 1 1 A 79 79 SER C C 79 173.931 173.839 0.092 1
1 866 . 6 1 1 A 79 79 SER CA C 79 58.409 56.705 1.704 1
1 867 . 6 1 1 A 79 79 SER CB C 79 64.147 64.437 -0.290 1
1 1 . 7 1 1 A 8 8 GLN H H 8 8.925 8.321 0.604 1
1 2 . 7 1 1 A 8 8 GLN HA H 8 4.398 4.559 -0.161 1
1 8 . 7 1 1 A 8 8 GLN CA C 8 56.051 54.583 1.468 1
1 9 . 7 1 1 A 8 8 GLN CB C 8 29.491 29.030 0.461 1
1 12 . 7 1 1 A 12 12 THR HA H 12 4.352 4.840 -0.488 1
1 17 . 7 1 1 A 12 12 THR CA C 12 61.819 60.911 0.908 1
1 18 . 7 1 1 A 12 12 THR CB C 12 69.783 69.931 -0.148 1
1 20 . 7 1 1 A 13 13 SER HA H 13 4.465 4.626 -0.161 1
1 23 . 7 1 1 A 13 13 SER C C 13 173.828 173.994 -0.166 1
1 24 . 7 1 1 A 13 13 SER CA C 13 57.973 59.890 -1.917 1
1 25 . 7 1 1 A 13 13 SER CB C 13 64.246 65.104 -0.858 1
1 26 . 7 1 1 A 14 14 PHE H H 14 8.322 8.127 0.195 1
1 27 . 7 1 1 A 14 14 PHE HA H 14 5.035 4.906 0.129 1
1 35 . 7 1 1 A 14 14 PHE C C 14 176.750 175.366 1.384 1
1 36 . 7 1 1 A 14 14 PHE CA C 14 56.624 57.542 -0.918 1
1 37 . 7 1 1 A 14 14 PHE CB C 14 41.174 40.934 0.240 1
1 43 . 7 1 1 A 14 14 PHE N N 14 121.036 116.599 4.437 1
1 44 . 7 1 1 A 15 15 THR H H 15 8.944 8.372 0.572 1
1 45 . 7 1 1 A 15 15 THR HA H 15 4.529 5.018 -0.489 1
1 50 . 7 1 1 A 15 15 THR C C 15 175.433 175.434 -0.001 1
1 51 . 7 1 1 A 15 15 THR CA C 15 60.644 59.343 1.301 1
1 52 . 7 1 1 A 15 15 THR CB C 15 70.784 71.877 -1.093 1
1 54 . 7 1 1 A 15 15 THR N N 15 113.618 112.258 1.360 1
1 55 . 7 1 1 A 16 16 GLN H H 16 9.086 8.992 0.094 1
1 56 . 7 1 1 A 16 16 GLN HA H 16 4.016 4.013 0.003 1
1 63 . 7 1 1 A 16 16 GLN C C 16 178.149 177.566 0.583 1
1 64 . 7 1 1 A 16 16 GLN CA C 16 59.283 59.289 -0.006 1
1 65 . 7 1 1 A 16 16 GLN CB C 16 27.943 28.289 -0.346 1
1 67 . 7 1 1 A 16 16 GLN N N 16 121.415 121.472 -0.057 1
1 69 . 7 1 1 A 17 17 GLU H H 17 8.837 8.253 0.584 1
1 70 . 7 1 1 A 17 17 GLU HA H 17 4.048 4.348 -0.300 1
1 75 . 7 1 1 A 17 17 GLU C C 17 180.248 178.587 1.661 1
1 76 . 7 1 1 A 17 17 GLU CA C 17 60.156 59.073 1.083 1
1 77 . 7 1 1 A 17 17 GLU CB C 17 29.125 29.303 -0.178 1
1 79 . 7 1 1 A 17 17 GLU N N 17 117.930 119.216 -1.286 1
1 80 . 7 1 1 A 18 18 GLN H H 18 7.738 8.152 -0.414 1
1 81 . 7 1 1 A 18 18 GLN HA H 18 3.809 4.254 -0.445 1
1 88 . 7 1 1 A 18 18 GLN C C 18 177.079 178.342 -1.263 1
1 89 . 7 1 1 A 18 18 GLN CA C 18 59.358 57.891 1.467 1
1 90 . 7 1 1 A 18 18 GLN CB C 18 27.338 29.278 -1.940 1
1 92 . 7 1 1 A 18 18 GLN N N 18 119.421 118.640 0.781 1
1 94 . 7 1 1 A 19 19 ILE H H 19 8.265 8.501 -0.236 1
1 95 . 7 1 1 A 19 19 ILE HA H 19 3.240 3.465 -0.225 1
1 105 . 7 1 1 A 19 19 ILE C C 19 177.409 177.999 -0.590 1
1 106 . 7 1 1 A 19 19 ILE CA C 19 64.693 65.036 -0.343 1
1 107 . 7 1 1 A 19 19 ILE CB C 19 37.544 37.143 0.401 1
1 111 . 7 1 1 A 19 19 ILE N N 19 118.326 121.449 -3.123 1
1 112 . 7 1 1 A 20 20 GLU H H 20 8.304 8.518 -0.214 1
1 113 . 7 1 1 A 20 20 GLU HA H 20 3.916 4.011 -0.095 1
1 118 . 7 1 1 A 20 20 GLU C C 20 179.281 178.481 0.800 1
1 119 . 7 1 1 A 20 20 GLU CA C 20 59.674 59.189 0.485 1
1 120 . 7 1 1 A 20 20 GLU CB C 20 29.369 29.010 0.359 1
1 122 . 7 1 1 A 20 20 GLU N N 20 117.948 120.456 -2.508 1
1 123 . 7 1 1 A 21 21 ALA H H 21 7.335 7.785 -0.450 1
1 124 . 7 1 1 A 21 21 ALA HA H 21 4.095 4.070 0.025 1
1 128 . 7 1 1 A 21 21 ALA C C 21 180.825 180.042 0.783 1
1 129 . 7 1 1 A 21 21 ALA CA C 21 54.885 54.261 0.624 1
1 130 . 7 1 1 A 21 21 ALA CB C 21 19.190 18.508 0.682 1
1 131 . 7 1 1 A 21 21 ALA N N 21 120.460 122.313 -1.853 1
1 132 . 7 1 1 A 22 22 LEU H H 22 8.100 8.092 0.008 1
1 133 . 7 1 1 A 22 22 LEU HA H 22 3.490 3.835 -0.345 1
1 143 . 7 1 1 A 22 22 LEU C C 22 177.861 178.950 -1.089 1
1 144 . 7 1 1 A 22 22 LEU CA C 22 58.530 57.228 1.302 1
1 145 . 7 1 1 A 22 22 LEU CB C 22 37.691 40.349 -2.658 1
1 149 . 7 1 1 A 22 22 LEU N N 22 122.412 120.177 2.235 1
1 150 . 7 1 1 A 23 23 GLU H H 23 8.534 7.944 0.590 1
1 151 . 7 1 1 A 23 23 GLU HA H 23 4.360 4.185 0.175 1
1 156 . 7 1 1 A 23 23 GLU C C 23 180.413 179.785 0.628 1
1 157 . 7 1 1 A 23 23 GLU CA C 23 59.072 59.587 -0.515 1
1 158 . 7 1 1 A 23 23 GLU CB C 23 28.905 29.928 -1.023 1
1 160 . 7 1 1 A 23 23 GLU N N 23 118.309 119.927 -1.618 1
1 161 . 7 1 1 A 24 24 LYS H H 24 7.898 7.799 0.099 1
1 162 . 7 1 1 A 24 24 LYS HA H 24 4.170 4.092 0.078 1
1 170 . 7 1 1 A 24 24 LYS C C 24 179.672 178.219 1.453 1
1 171 . 7 1 1 A 24 24 LYS CA C 24 59.144 58.900 0.244 1
1 172 . 7 1 1 A 24 24 LYS CB C 24 32.082 32.020 0.062 1
1 176 . 7 1 1 A 24 24 LYS N N 24 119.449 121.145 -1.696 1
1 177 . 7 1 1 A 25 25 GLU H H 25 7.887 7.553 0.334 1
1 178 . 7 1 1 A 25 25 GLU HA H 25 4.596 4.184 0.412 1
1 183 . 7 1 1 A 25 25 GLU C C 25 177.923 179.103 -1.180 1
1 184 . 7 1 1 A 25 25 GLU CA C 25 58.799 58.898 -0.099 1
1 185 . 7 1 1 A 25 25 GLU CB C 25 28.787 29.566 -0.779 1
1 187 . 7 1 1 A 25 25 GLU N N 25 121.941 118.711 3.230 1
1 188 . 7 1 1 A 26 26 PHE H H 26 8.843 8.393 0.450 1
1 189 . 7 1 1 A 26 26 PHE HA H 26 4.865 4.417 0.448 1
1 197 . 7 1 1 A 26 26 PHE C C 26 176.380 177.810 -1.430 1
1 198 . 7 1 1 A 26 26 PHE CA C 26 60.798 60.888 -0.090 1
1 199 . 7 1 1 A 26 26 PHE CB C 26 38.969 38.904 0.065 1
1 205 . 7 1 1 A 26 26 PHE N N 26 121.919 121.037 0.882 1
1 206 . 7 1 1 A 27 27 GLU H H 27 7.839 9.071 -1.232 1
1 207 . 7 1 1 A 27 27 GLU HA H 27 3.952 4.144 -0.192 1
1 212 . 7 1 1 A 27 27 GLU C C 27 178.335 178.651 -0.316 1
1 213 . 7 1 1 A 27 27 GLU CA C 27 58.650 59.217 -0.567 1
1 214 . 7 1 1 A 27 27 GLU CB C 27 29.772 28.737 1.035 1
1 216 . 7 1 1 A 27 27 GLU N N 27 115.144 117.458 -2.314 1
1 217 . 7 1 1 A 28 28 ARG H H 28 7.573 7.862 -0.289 1
1 218 . 7 1 1 A 28 28 ARG HA H 28 4.109 4.178 -0.069 1
1 225 . 7 1 1 A 28 28 ARG C C 28 177.059 175.606 1.453 1
1 226 . 7 1 1 A 28 28 ARG CA C 28 58.740 57.750 0.990 1
1 227 . 7 1 1 A 28 28 ARG CB C 28 30.995 31.628 -0.633 1
1 230 . 7 1 1 A 28 28 ARG N N 28 120.497 120.196 0.301 1
1 231 . 7 1 1 A 29 29 THR H H 29 8.786 7.543 1.243 1
1 232 . 7 1 1 A 29 29 THR HA H 29 4.291 4.499 -0.208 1
1 237 . 7 1 1 A 29 29 THR C C 29 170.391 173.736 -3.345 1
1 238 . 7 1 1 A 29 29 THR CA C 29 59.674 60.336 -0.662 1
1 239 . 7 1 1 A 29 29 THR CB C 29 68.880 71.209 -2.329 1
1 241 . 7 1 1 A 29 29 THR N N 29 114.915 111.696 3.219 1
1 242 . 7 1 1 A 30 30 HIS H H 30 8.292 8.470 -0.178 1
1 243 . 7 1 1 A 30 30 HIS HA H 30 4.420 3.758 0.662 1
1 248 . 7 1 1 A 30 30 HIS C C 30 174.569 174.668 -0.099 1
1 249 . 7 1 1 A 30 30 HIS CA C 30 54.798 57.440 -2.642 1
1 250 . 7 1 1 A 30 30 HIS CB C 30 30.629 29.091 1.538 1
1 253 . 7 1 1 A 30 30 HIS N N 30 122.126 125.905 -3.779 1
1 254 . 7 1 1 A 31 31 TYR H H 31 8.179 7.264 0.915 1
1 255 . 7 1 1 A 31 31 TYR HA H 31 4.731 4.981 -0.250 1
1 262 . 7 1 1 A 31 31 TYR C C 31 172.551 173.206 -0.655 1
1 263 . 7 1 1 A 31 31 TYR CA C 31 55.259 54.938 0.321 1
1 264 . 7 1 1 A 31 31 TYR CB C 31 39.362 38.408 0.954 1
1 269 . 7 1 1 A 31 31 TYR N N 31 115.063 117.747 -2.684 1
1 270 . 7 1 1 A 32 32 PRO HA H 32 4.256 4.703 -0.447 1
1 277 . 7 1 1 A 32 32 PRO C C 32 177.388 176.923 0.465 1
1 278 . 7 1 1 A 32 32 PRO CA C 32 62.903 62.175 0.728 1
1 279 . 7 1 1 A 32 32 PRO CB C 32 30.896 30.170 0.726 1
1 282 . 7 1 1 A 33 33 ASP H H 33 8.457 8.189 0.268 1
1 283 . 7 1 1 A 33 33 ASP HA H 33 4.495 4.662 -0.167 1
1 286 . 7 1 1 A 33 33 ASP C C 33 175.824 177.552 -1.728 1
1 287 . 7 1 1 A 33 33 ASP CA C 33 52.776 54.508 -1.732 1
1 288 . 7 1 1 A 33 33 ASP CB C 33 41.174 41.939 -0.765 1
1 289 . 7 1 1 A 33 33 ASP N N 33 124.636 122.636 2.000 1
1 290 . 7 1 1 A 34 34 VAL H H 34 8.331 8.502 -0.171 1
1 291 . 7 1 1 A 34 34 VAL HA H 34 3.488 3.832 -0.344 1
1 299 . 7 1 1 A 34 34 VAL C C 34 176.133 177.434 -1.301 1
1 300 . 7 1 1 A 34 34 VAL CA C 34 66.176 65.258 0.918 1
1 301 . 7 1 1 A 34 34 VAL CB C 34 31.401 31.466 -0.065 1
1 304 . 7 1 1 A 34 34 VAL N N 34 117.908 124.110 -6.202 1
1 305 . 7 1 1 A 35 35 PHE H H 35 7.127 7.845 -0.718 1
1 306 . 7 1 1 A 35 35 PHE HA H 35 4.339 4.194 0.145 1
1 314 . 7 1 1 A 35 35 PHE C C 35 178.808 176.942 1.866 1
1 315 . 7 1 1 A 35 35 PHE CA C 35 60.335 61.474 -1.139 1
1 316 . 7 1 1 A 35 35 PHE CB C 35 37.927 37.764 0.163 1
1 322 . 7 1 1 A 35 35 PHE N N 35 120.263 120.130 0.133 1
1 323 . 7 1 1 A 36 36 ALA H H 36 8.428 8.141 0.287 1
1 324 . 7 1 1 A 36 36 ALA HA H 36 4.094 4.410 -0.316 1
1 328 . 7 1 1 A 36 36 ALA C C 36 181.812 179.384 2.428 1
1 329 . 7 1 1 A 36 36 ALA CA C 36 55.062 54.330 0.732 1
1 330 . 7 1 1 A 36 36 ALA CB C 36 18.484 19.344 -0.860 1
1 331 . 7 1 1 A 36 36 ALA N N 36 123.569 121.835 1.734 1
1 332 . 7 1 1 A 37 37 ARG H H 37 8.695 8.007 0.688 1
1 333 . 7 1 1 A 37 37 ARG HA H 37 3.920 4.023 -0.103 1
1 341 . 7 1 1 A 37 37 ARG C C 37 178.232 178.771 -0.539 1
1 342 . 7 1 1 A 37 37 ARG CA C 37 61.034 59.673 1.361 1
1 343 . 7 1 1 A 37 37 ARG CB C 37 31.263 29.733 1.530 1
1 346 . 7 1 1 A 37 37 ARG N N 37 117.907 117.554 0.353 1
1 348 . 7 1 1 A 38 38 GLU H H 38 8.531 8.284 0.247 1
1 349 . 7 1 1 A 38 38 GLU HA H 38 4.051 4.069 -0.018 1
1 354 . 7 1 1 A 38 38 GLU C C 38 179.940 179.263 0.677 1
1 355 . 7 1 1 A 38 38 GLU CA C 38 59.765 59.297 0.468 1
1 356 . 7 1 1 A 38 38 GLU CB C 38 29.456 29.102 0.354 1
1 358 . 7 1 1 A 38 38 GLU N N 38 119.688 119.622 0.066 1
1 359 . 7 1 1 A 39 39 ARG H H 39 8.096 8.017 0.079 1
1 360 . 7 1 1 A 39 39 ARG HA H 39 4.130 4.122 0.008 1
1 366 . 7 1 1 A 39 39 ARG C C 39 179.425 179.009 0.416 1
1 367 . 7 1 1 A 39 39 ARG CA C 39 59.368 58.858 0.510 1
1 368 . 7 1 1 A 39 39 ARG CB C 39 30.300 29.749 0.551 1
1 371 . 7 1 1 A 39 39 ARG N N 39 120.527 120.081 0.446 1
1 372 . 7 1 1 A 40 40 LEU H H 40 7.933 8.251 -0.318 1
1 373 . 7 1 1 A 40 40 LEU HA H 40 4.121 4.064 0.057 1
1 383 . 7 1 1 A 40 40 LEU C C 40 177.861 178.293 -0.432 1
1 384 . 7 1 1 A 40 40 LEU CA C 40 57.807 57.550 0.257 1
1 385 . 7 1 1 A 40 40 LEU CB C 40 42.446 41.469 0.977 1
1 389 . 7 1 1 A 40 40 LEU N N 40 121.371 121.440 -0.069 1
1 390 . 7 1 1 A 41 41 ALA H H 41 8.537 8.308 0.229 1
1 391 . 7 1 1 A 41 41 ALA HA H 41 4.102 4.143 -0.041 1
1 395 . 7 1 1 A 41 41 ALA C C 41 180.372 179.296 1.076 1
1 396 . 7 1 1 A 41 41 ALA CA C 41 56.060 55.413 0.647 1
1 397 . 7 1 1 A 41 41 ALA CB C 41 18.892 18.107 0.785 1
1 398 . 7 1 1 A 41 41 ALA N N 41 121.892 120.355 1.537 1
1 399 . 7 1 1 A 42 42 ALA H H 42 7.400 7.764 -0.364 1
1 400 . 7 1 1 A 42 42 ALA HA H 42 4.242 4.180 0.062 1
1 404 . 7 1 1 A 42 42 ALA C C 42 179.631 180.126 -0.495 1
1 405 . 7 1 1 A 42 42 ALA CA C 42 53.951 53.573 0.378 1
1 406 . 7 1 1 A 42 42 ALA CB C 42 18.484 18.951 -0.467 1
1 407 . 7 1 1 A 42 42 ALA N N 42 116.807 119.570 -2.763 1
1 408 . 7 1 1 A 43 43 LYS H H 43 7.781 8.210 -0.429 1
1 409 . 7 1 1 A 43 43 LYS HA H 43 4.229 4.079 0.150 1
1 417 . 7 1 1 A 43 43 LYS C C 43 178.746 178.033 0.713 1
1 418 . 7 1 1 A 43 43 LYS CA C 43 58.710 58.501 0.209 1
1 419 . 7 1 1 A 43 43 LYS CB C 43 33.610 32.591 1.019 1
1 423 . 7 1 1 A 43 43 LYS N N 43 118.433 118.139 0.294 1
1 424 . 7 1 1 A 44 44 ILE H H 44 8.094 7.506 0.588 1
1 425 . 7 1 1 A 44 44 ILE HA H 44 4.655 4.380 0.275 1
1 435 . 7 1 1 A 44 44 ILE C C 44 175.042 174.832 0.210 1
1 436 . 7 1 1 A 44 44 ILE CA C 44 60.606 59.962 0.644 1
1 437 . 7 1 1 A 44 44 ILE CB C 44 38.341 37.840 0.501 1
1 441 . 7 1 1 A 44 44 ILE N N 44 108.112 111.448 -3.336 1
1 442 . 7 1 1 A 45 45 ASP H H 45 7.811 7.966 -0.155 1
1 443 . 7 1 1 A 45 45 ASP HA H 45 4.333 4.198 0.135 1
1 446 . 7 1 1 A 45 45 ASP C C 45 173.848 174.564 -0.716 1
1 447 . 7 1 1 A 45 45 ASP CA C 45 55.065 55.316 -0.251 1
1 448 . 7 1 1 A 45 45 ASP CB C 45 39.031 39.009 0.022 1
1 449 . 7 1 1 A 45 45 ASP N N 45 121.798 118.406 3.392 1
1 450 . 7 1 1 A 46 46 LEU H H 46 7.550 8.030 -0.480 1
1 451 . 7 1 1 A 46 46 LEU HA H 46 4.990 4.814 0.176 1
1 461 . 7 1 1 A 46 46 LEU C C 46 173.536 174.176 -0.640 1
1 462 . 7 1 1 A 46 46 LEU CA C 46 51.364 51.286 0.078 1
1 463 . 7 1 1 A 46 46 LEU CB C 46 47.443 44.936 2.507 1
1 467 . 7 1 1 A 46 46 LEU N N 46 118.454 119.185 -0.731 1
1 468 . 7 1 1 A 47 47 PRO HA H 47 4.548 4.657 -0.109 1
1 475 . 7 1 1 A 47 47 PRO C C 47 178.417 177.886 0.531 1
1 476 . 7 1 1 A 47 47 PRO CA C 47 62.268 62.797 -0.529 1
1 477 . 7 1 1 A 47 47 PRO CB C 47 32.600 32.140 0.460 1
1 480 . 7 1 1 A 48 48 GLU H H 48 9.253 9.033 0.220 1
1 481 . 7 1 1 A 48 48 GLU HA H 48 3.799 4.019 -0.220 1
1 486 . 7 1 1 A 48 48 GLU C C 48 178.273 178.349 -0.076 1
1 487 . 7 1 1 A 48 48 GLU CA C 48 61.083 59.414 1.669 1
1 488 . 7 1 1 A 48 48 GLU CB C 48 28.815 29.374 -0.559 1
1 490 . 7 1 1 A 48 48 GLU N N 48 126.081 124.429 1.652 1
1 491 . 7 1 1 A 49 49 ALA H H 49 8.923 8.092 0.831 1
1 492 . 7 1 1 A 49 49 ALA HA H 49 4.128 4.165 -0.037 1
1 496 . 7 1 1 A 49 49 ALA C C 49 181.277 179.484 1.793 1
1 497 . 7 1 1 A 49 49 ALA CA C 49 55.569 55.003 0.566 1
1 498 . 7 1 1 A 49 49 ALA CB C 49 18.681 18.367 0.314 1
1 499 . 7 1 1 A 49 49 ALA N N 49 119.313 122.321 -3.008 1
1 500 . 7 1 1 A 50 50 ARG H H 50 7.417 8.186 -0.769 1
1 501 . 7 1 1 A 50 50 ARG HA H 50 4.348 4.160 0.188 1
1 508 . 7 1 1 A 50 50 ARG C C 50 179.425 178.608 0.817 1
1 509 . 7 1 1 A 50 50 ARG CA C 50 57.978 59.623 -1.645 1
1 510 . 7 1 1 A 50 50 ARG CB C 50 29.723 30.147 -0.424 1
1 513 . 7 1 1 A 50 50 ARG N N 50 114.567 117.980 -3.413 1
1 514 . 7 1 1 A 51 51 ILE H H 51 7.785 7.921 -0.136 1
1 515 . 7 1 1 A 51 51 ILE HA H 51 3.816 3.837 -0.021 1
1 525 . 7 1 1 A 51 51 ILE C C 51 178.088 178.014 0.074 1
1 526 . 7 1 1 A 51 51 ILE CA C 51 65.848 65.182 0.666 1
1 527 . 7 1 1 A 51 51 ILE CB C 51 37.785 37.836 -0.051 1
1 531 . 7 1 1 A 51 51 ILE N N 51 121.669 120.815 0.854 1
1 532 . 7 1 1 A 52 52 GLN H H 52 8.478 8.272 0.206 1
1 533 . 7 1 1 A 52 52 GLN HA H 52 4.423 3.990 0.433 1
1 539 . 7 1 1 A 52 52 GLN C C 52 179.364 178.866 0.498 1
1 540 . 7 1 1 A 52 52 GLN CA C 52 60.232 58.881 1.351 1
1 541 . 7 1 1 A 52 52 GLN CB C 52 28.945 28.398 0.547 1
1 543 . 7 1 1 A 52 52 GLN N N 52 118.943 118.255 0.688 1
1 545 . 7 1 1 A 53 53 VAL H H 53 7.582 7.816 -0.234 1
1 546 . 7 1 1 A 53 53 VAL HA H 53 3.842 3.729 0.113 1
1 554 . 7 1 1 A 53 53 VAL C C 53 177.800 178.122 -0.322 1
1 555 . 7 1 1 A 53 53 VAL CA C 53 66.633 66.861 -0.228 1
1 556 . 7 1 1 A 53 53 VAL CB C 53 32.241 31.826 0.415 1
1 559 . 7 1 1 A 53 53 VAL N N 53 120.375 120.241 0.134 1
1 560 . 7 1 1 A 54 54 TRP H H 54 8.390 8.391 -0.001 1
1 561 . 7 1 1 A 54 54 TRP HA H 54 4.050 4.137 -0.087 1
1 570 . 7 1 1 A 54 54 TRP C C 54 180.084 177.861 2.223 1
1 571 . 7 1 1 A 54 54 TRP CA C 54 63.229 60.707 2.522 1
1 572 . 7 1 1 A 54 54 TRP CB C 54 28.726 29.605 -0.879 1
1 578 . 7 1 1 A 54 54 TRP N N 54 121.414 121.113 0.301 1
1 580 . 7 1 1 A 55 55 PHE H H 55 9.127 8.077 1.050 1
1 581 . 7 1 1 A 55 55 PHE HA H 55 3.771 4.584 -0.813 1
1 589 . 7 1 1 A 55 55 PHE C C 55 178.170 178.521 -0.351 1
1 590 . 7 1 1 A 55 55 PHE CA C 55 63.826 61.437 2.389 1
1 591 . 7 1 1 A 55 55 PHE CB C 55 39.195 39.116 0.079 1
1 597 . 7 1 1 A 55 55 PHE N N 55 118.358 116.953 1.405 1
1 598 . 7 1 1 A 56 56 SER H H 56 8.267 8.810 -0.543 1
1 599 . 7 1 1 A 56 56 SER HA H 56 4.148 4.121 0.027 1
1 602 . 7 1 1 A 56 56 SER C C 56 178.376 177.372 1.004 1
1 603 . 7 1 1 A 56 56 SER CA C 56 62.578 61.842 0.736 1
1 604 . 7 1 1 A 56 56 SER CB C 56 62.412 63.169 -0.757 1
1 605 . 7 1 1 A 56 56 SER N N 56 115.049 115.502 -0.453 1
1 606 . 7 1 1 A 57 57 ASN H H 57 8.231 8.191 0.040 1
1 607 . 7 1 1 A 57 57 ASN HA H 57 4.411 4.466 -0.055 1
1 612 . 7 1 1 A 57 57 ASN C C 57 177.573 178.409 -0.836 1
1 613 . 7 1 1 A 57 57 ASN CA C 57 55.698 56.122 -0.424 1
1 614 . 7 1 1 A 57 57 ASN CB C 57 37.827 37.615 0.212 1
1 615 . 7 1 1 A 57 57 ASN N N 57 120.846 120.018 0.828 1
1 617 . 7 1 1 A 58 58 ARG H H 58 8.531 7.708 0.823 1
1 618 . 7 1 1 A 58 58 ARG HA H 58 3.533 3.586 -0.053 1
1 626 . 7 1 1 A 58 58 ARG C C 58 179.919 179.209 0.710 1
1 627 . 7 1 1 A 58 58 ARG CA C 58 56.451 59.444 -2.993 1
1 628 . 7 1 1 A 58 58 ARG CB C 58 27.981 29.454 -1.473 1
1 631 . 7 1 1 A 58 58 ARG N N 58 124.704 120.014 4.690 1
1 633 . 7 1 1 A 59 59 ARG H H 59 8.496 8.204 0.292 1
1 634 . 7 1 1 A 59 59 ARG HA H 59 4.072 4.287 -0.215 1
1 641 . 7 1 1 A 59 59 ARG C C 59 178.520 179.372 -0.852 1
1 642 . 7 1 1 A 59 59 ARG CA C 59 60.970 59.715 1.255 1
1 643 . 7 1 1 A 59 59 ARG CB C 59 31.601 30.056 1.545 1
1 646 . 7 1 1 A 59 59 ARG N N 59 120.108 119.638 0.470 1
1 647 . 7 1 1 A 60 60 ALA H H 60 7.487 7.718 -0.231 1
1 648 . 7 1 1 A 60 60 ALA HA H 60 4.197 4.134 0.063 1
1 652 . 7 1 1 A 60 60 ALA C C 60 180.475 179.568 0.907 1
1 653 . 7 1 1 A 60 60 ALA CA C 60 55.547 55.098 0.449 1
1 654 . 7 1 1 A 60 60 ALA CB C 60 17.635 18.242 -0.607 1
1 655 . 7 1 1 A 60 60 ALA N N 60 121.949 121.859 0.090 1
1 656 . 7 1 1 A 61 61 LYS H H 61 7.733 7.775 -0.042 1
1 657 . 7 1 1 A 61 61 LYS HA H 61 3.927 4.034 -0.107 1
1 666 . 7 1 1 A 61 61 LYS C C 61 177.656 178.632 -0.976 1
1 667 . 7 1 1 A 61 61 LYS CA C 61 59.590 58.721 0.869 1
1 668 . 7 1 1 A 61 61 LYS CB C 61 32.903 32.010 0.893 1
1 672 . 7 1 1 A 61 61 LYS N N 61 120.311 118.636 1.675 1
1 673 . 7 1 1 A 62 62 TRP H H 62 8.235 8.368 -0.133 1
1 674 . 7 1 1 A 62 62 TRP HA H 62 4.475 4.292 0.183 1
1 683 . 7 1 1 A 62 62 TRP C C 62 178.088 178.329 -0.241 1
1 684 . 7 1 1 A 62 62 TRP CA C 62 61.043 60.628 0.415 1
1 685 . 7 1 1 A 62 62 TRP CB C 62 29.113 29.903 -0.790 1
1 691 . 7 1 1 A 62 62 TRP N N 62 120.161 121.907 -1.746 1
1 693 . 7 1 1 A 63 63 ARG H H 63 8.579 8.914 -0.335 1
1 694 . 7 1 1 A 63 63 ARG HA H 63 3.762 3.902 -0.140 1
1 701 . 7 1 1 A 63 63 ARG C C 63 179.220 178.832 0.388 1
1 702 . 7 1 1 A 63 63 ARG CA C 63 59.644 59.395 0.249 1
1 703 . 7 1 1 A 63 63 ARG CB C 63 30.498 29.875 0.623 1
1 706 . 7 1 1 A 63 63 ARG N N 63 117.951 119.059 -1.108 1
1 707 . 7 1 1 A 64 64 ARG H H 64 7.754 7.818 -0.064 1
1 708 . 7 1 1 A 64 64 ARG HA H 64 4.075 4.052 0.023 1
1 715 . 7 1 1 A 64 64 ARG C C 64 178.643 178.461 0.182 1
1 716 . 7 1 1 A 64 64 ARG CA C 64 59.313 58.988 0.325 1
1 717 . 7 1 1 A 64 64 ARG CB C 64 30.254 29.818 0.436 1
1 720 . 7 1 1 A 64 64 ARG N N 64 119.265 118.651 0.614 1
1 721 . 7 1 1 A 65 65 GLU H H 65 8.134 8.057 0.077 1
1 722 . 7 1 1 A 65 65 GLU HA H 65 3.988 4.059 -0.071 1
1 727 . 7 1 1 A 65 65 GLU C C 65 178.890 178.687 0.203 1
1 728 . 7 1 1 A 65 65 GLU CA C 65 58.891 59.085 -0.194 1
1 729 . 7 1 1 A 65 65 GLU CB C 65 29.228 29.620 -0.392 1
1 731 . 7 1 1 A 65 65 GLU N N 65 119.336 119.298 0.038 1
1 732 . 7 1 1 A 66 66 GLU H H 66 8.212 8.142 0.070 1
1 733 . 7 1 1 A 66 66 GLU HA H 66 3.804 3.761 0.043 1
1 738 . 7 1 1 A 66 66 GLU C C 66 178.273 178.585 -0.312 1
1 739 . 7 1 1 A 66 66 GLU CA C 66 58.714 59.321 -0.607 1
1 740 . 7 1 1 A 66 66 GLU CB C 66 29.493 28.865 0.628 1
1 742 . 7 1 1 A 66 66 GLU N N 66 121.135 120.056 1.079 1
1 743 . 7 1 1 A 67 67 LYS H H 67 7.663 7.645 0.018 1
1 744 . 7 1 1 A 67 67 LYS HA H 67 4.044 3.975 0.069 1
1 752 . 7 1 1 A 67 67 LYS C C 67 178.787 178.561 0.226 1
1 753 . 7 1 1 A 67 67 LYS CA C 67 58.801 59.428 -0.627 1
1 754 . 7 1 1 A 67 67 LYS CB C 67 32.239 32.069 0.170 1
1 758 . 7 1 1 A 67 67 LYS N N 67 119.200 119.535 -0.335 1
1 759 . 7 1 1 A 68 68 LEU H H 68 7.631 7.988 -0.357 1
1 760 . 7 1 1 A 68 68 LEU HA H 68 4.155 3.844 0.311 1
1 770 . 7 1 1 A 68 68 LEU C C 68 179.055 178.747 0.308 1
1 771 . 7 1 1 A 68 68 LEU CA C 68 56.903 57.959 -1.056 1
1 772 . 7 1 1 A 68 68 LEU CB C 68 41.850 41.208 0.642 1
1 776 . 7 1 1 A 68 68 LEU N N 68 118.976 119.787 -0.811 1
1 777 . 7 1 1 A 69 69 ARG H H 69 7.900 7.633 0.267 1
1 778 . 7 1 1 A 69 69 ARG HA H 69 4.089 3.900 0.189 1
1 785 . 7 1 1 A 69 69 ARG C C 69 177.985 178.495 -0.510 1
1 786 . 7 1 1 A 69 69 ARG CA C 69 58.551 59.785 -1.234 1
1 787 . 7 1 1 A 69 69 ARG CB C 69 30.430 29.924 0.506 1
1 790 . 7 1 1 A 69 69 ARG N N 69 119.387 119.228 0.159 1
1 791 . 7 1 1 A 70 70 ASN H H 70 8.088 8.222 -0.134 1
1 792 . 7 1 1 A 70 70 ASN HA H 70 4.633 4.455 0.178 1
1 797 . 7 1 1 A 70 70 ASN C C 70 176.194 177.573 -1.379 1
1 798 . 7 1 1 A 70 70 ASN CA C 70 54.463 56.580 -2.117 1
1 799 . 7 1 1 A 70 70 ASN CB C 70 38.805 39.920 -1.115 1
1 800 . 7 1 1 A 70 70 ASN N N 70 117.289 117.838 -0.549 1
1 802 . 7 1 1 A 71 71 GLN H H 71 8.017 7.978 0.039 1
1 803 . 7 1 1 A 71 71 GLN HA H 71 4.263 4.187 0.076 1
1 810 . 7 1 1 A 71 71 GLN C C 71 176.750 177.139 -0.389 1
1 811 . 7 1 1 A 71 71 GLN CA C 71 57.031 57.899 -0.868 1
1 812 . 7 1 1 A 71 71 GLN CB C 71 29.122 28.354 0.768 1
1 814 . 7 1 1 A 71 71 GLN N N 71 119.838 118.178 1.660 1
1 816 . 7 1 1 A 72 72 ARG H H 72 8.125 7.947 0.178 1
1 817 . 7 1 1 A 72 72 ARG HA H 72 4.312 4.532 -0.220 1
1 823 . 7 1 1 A 72 72 ARG C C 72 176.729 175.722 1.007 1
1 824 . 7 1 1 A 72 72 ARG CA C 72 56.840 55.205 1.635 1
1 825 . 7 1 1 A 72 72 ARG CB C 72 30.500 30.614 -0.114 1
1 828 . 7 1 1 A 72 72 ARG N N 72 120.534 117.168 3.366 1
1 829 . 7 1 1 A 73 73 ARG H H 73 8.148 7.558 0.590 1
1 830 . 7 1 1 A 73 73 ARG HA H 73 4.412 3.937 0.475 1
1 836 . 7 1 1 A 73 73 ARG C C 73 176.552 176.952 -0.400 1
1 837 . 7 1 1 A 73 73 ARG CA C 73 56.445 58.002 -1.557 1
1 838 . 7 1 1 A 73 73 ARG CB C 73 30.676 29.792 0.884 1
1 841 . 7 1 1 A 73 73 ARG N N 73 121.356 122.166 -0.810 1
1 842 . 7 1 1 A 74 74 GLN HA H 74 4.334 3.760 0.574 1
1 846 . 7 1 1 A 74 74 GLN CA C 74 56.127 56.969 -0.842 1
1 847 . 7 1 1 A 74 74 GLN CB C 74 29.362 26.673 2.689 1
1 849 . 7 1 1 A 76 76 GLY HA2 H 76 4.168 4.050 0.118 1
1 850 . 7 1 1 A 76 76 GLY HA3 H 76 4.168 4.050 0.118 1
1 851 . 7 1 1 A 76 76 GLY CA C 76 44.736 44.065 0.671 1
1 852 . 7 1 1 A 77 77 PRO HA H 77 4.502 4.416 0.086 1
1 859 . 7 1 1 A 77 77 PRO CA C 77 63.330 64.589 -1.259 1
1 860 . 7 1 1 A 77 77 PRO CB C 77 32.217 31.928 0.289 1
1 863 . 7 1 1 A 79 79 SER HA H 79 4.524 4.124 0.400 1
1 865 . 7 1 1 A 79 79 SER C C 79 173.931 173.782 0.149 1
1 866 . 7 1 1 A 79 79 SER CA C 79 58.409 58.864 -0.455 1
1 867 . 7 1 1 A 79 79 SER CB C 79 64.147 61.393 2.754 1
1 1 . 8 1 1 A 8 8 GLN H H 8 8.925 8.458 0.467 1
1 2 . 8 1 1 A 8 8 GLN HA H 8 4.398 4.812 -0.414 1
1 8 . 8 1 1 A 8 8 GLN CA C 8 56.051 54.097 1.954 1
1 9 . 8 1 1 A 8 8 GLN CB C 8 29.491 32.147 -2.656 1
1 12 . 8 1 1 A 12 12 THR HA H 12 4.352 4.269 0.083 1
1 17 . 8 1 1 A 12 12 THR CA C 12 61.819 64.051 -2.232 1
1 18 . 8 1 1 A 12 12 THR CB C 12 69.783 68.412 1.371 1
1 20 . 8 1 1 A 13 13 SER HA H 13 4.465 4.456 0.009 1
1 23 . 8 1 1 A 13 13 SER C C 13 173.828 175.128 -1.300 1
1 24 . 8 1 1 A 13 13 SER CA C 13 57.973 61.774 -3.801 1
1 25 . 8 1 1 A 13 13 SER CB C 13 64.246 63.515 0.731 1
1 26 . 8 1 1 A 14 14 PHE H H 14 8.322 7.782 0.540 1
1 27 . 8 1 1 A 14 14 PHE HA H 14 5.035 4.663 0.372 1
1 35 . 8 1 1 A 14 14 PHE C C 14 176.750 175.261 1.489 1
1 36 . 8 1 1 A 14 14 PHE CA C 14 56.624 58.583 -1.959 1
1 37 . 8 1 1 A 14 14 PHE CB C 14 41.174 39.645 1.529 1
1 43 . 8 1 1 A 14 14 PHE N N 14 121.036 118.961 2.075 1
1 44 . 8 1 1 A 15 15 THR H H 15 8.944 8.390 0.554 1
1 45 . 8 1 1 A 15 15 THR HA H 15 4.529 5.011 -0.482 1
1 50 . 8 1 1 A 15 15 THR C C 15 175.433 175.482 -0.049 1
1 51 . 8 1 1 A 15 15 THR CA C 15 60.644 59.448 1.196 1
1 52 . 8 1 1 A 15 15 THR CB C 15 70.784 71.905 -1.121 1
1 54 . 8 1 1 A 15 15 THR N N 15 113.618 112.065 1.553 1
1 55 . 8 1 1 A 16 16 GLN H H 16 9.086 9.017 0.069 1
1 56 . 8 1 1 A 16 16 GLN HA H 16 4.016 4.038 -0.022 1
1 63 . 8 1 1 A 16 16 GLN C C 16 178.149 177.574 0.575 1
1 64 . 8 1 1 A 16 16 GLN CA C 16 59.283 59.294 -0.011 1
1 65 . 8 1 1 A 16 16 GLN CB C 16 27.943 28.286 -0.343 1
1 67 . 8 1 1 A 16 16 GLN N N 16 121.415 121.319 0.096 1
1 69 . 8 1 1 A 17 17 GLU H H 17 8.837 8.264 0.573 1
1 70 . 8 1 1 A 17 17 GLU HA H 17 4.048 4.135 -0.087 1
1 75 . 8 1 1 A 17 17 GLU C C 17 180.248 178.801 1.447 1
1 76 . 8 1 1 A 17 17 GLU CA C 17 60.156 59.039 1.117 1
1 77 . 8 1 1 A 17 17 GLU CB C 17 29.125 29.313 -0.188 1
1 79 . 8 1 1 A 17 17 GLU N N 17 117.930 119.236 -1.306 1
1 80 . 8 1 1 A 18 18 GLN H H 18 7.738 8.116 -0.378 1
1 81 . 8 1 1 A 18 18 GLN HA H 18 3.809 4.253 -0.444 1
1 88 . 8 1 1 A 18 18 GLN C C 18 177.079 178.421 -1.342 1
1 89 . 8 1 1 A 18 18 GLN CA C 18 59.358 57.838 1.520 1
1 90 . 8 1 1 A 18 18 GLN CB C 18 27.338 29.313 -1.975 1
1 92 . 8 1 1 A 18 18 GLN N N 18 119.421 118.592 0.829 1
1 94 . 8 1 1 A 19 19 ILE H H 19 8.265 8.590 -0.325 1
1 95 . 8 1 1 A 19 19 ILE HA H 19 3.240 3.663 -0.423 1
1 105 . 8 1 1 A 19 19 ILE C C 19 177.409 177.863 -0.454 1
1 106 . 8 1 1 A 19 19 ILE CA C 19 64.693 65.218 -0.525 1
1 107 . 8 1 1 A 19 19 ILE CB C 19 37.544 37.490 0.054 1
1 111 . 8 1 1 A 19 19 ILE N N 19 118.326 121.300 -2.974 1
1 112 . 8 1 1 A 20 20 GLU H H 20 8.304 8.653 -0.349 1
1 113 . 8 1 1 A 20 20 GLU HA H 20 3.916 4.029 -0.113 1
1 118 . 8 1 1 A 20 20 GLU C C 20 179.281 178.342 0.939 1
1 119 . 8 1 1 A 20 20 GLU CA C 20 59.674 59.236 0.438 1
1 120 . 8 1 1 A 20 20 GLU CB C 20 29.369 29.090 0.279 1
1 122 . 8 1 1 A 20 20 GLU N N 20 117.948 120.418 -2.470 1
1 123 . 8 1 1 A 21 21 ALA H H 21 7.335 7.847 -0.512 1
1 124 . 8 1 1 A 21 21 ALA HA H 21 4.095 4.102 -0.007 1
1 128 . 8 1 1 A 21 21 ALA C C 21 180.825 179.965 0.860 1
1 129 . 8 1 1 A 21 21 ALA CA C 21 54.885 54.093 0.792 1
1 130 . 8 1 1 A 21 21 ALA CB C 21 19.190 18.445 0.745 1
1 131 . 8 1 1 A 21 21 ALA N N 21 120.460 122.232 -1.772 1
1 132 . 8 1 1 A 22 22 LEU H H 22 8.100 8.201 -0.101 1
1 133 . 8 1 1 A 22 22 LEU HA H 22 3.490 3.672 -0.182 1
1 143 . 8 1 1 A 22 22 LEU C C 22 177.861 178.650 -0.789 1
1 144 . 8 1 1 A 22 22 LEU CA C 22 58.530 56.941 1.589 1
1 145 . 8 1 1 A 22 22 LEU CB C 22 37.691 40.355 -2.664 1
1 149 . 8 1 1 A 22 22 LEU N N 22 122.412 119.713 2.699 1
1 150 . 8 1 1 A 23 23 GLU H H 23 8.534 8.043 0.491 1
1 151 . 8 1 1 A 23 23 GLU HA H 23 4.360 4.088 0.272 1
1 156 . 8 1 1 A 23 23 GLU C C 23 180.413 179.239 1.174 1
1 157 . 8 1 1 A 23 23 GLU CA C 23 59.072 59.514 -0.442 1
1 158 . 8 1 1 A 23 23 GLU CB C 23 28.905 29.877 -0.972 1
1 160 . 8 1 1 A 23 23 GLU N N 23 118.309 119.991 -1.682 1
1 161 . 8 1 1 A 24 24 LYS H H 24 7.898 7.742 0.156 1
1 162 . 8 1 1 A 24 24 LYS HA H 24 4.170 4.008 0.162 1
1 170 . 8 1 1 A 24 24 LYS C C 24 179.672 178.840 0.832 1
1 171 . 8 1 1 A 24 24 LYS CA C 24 59.144 59.952 -0.808 1
1 172 . 8 1 1 A 24 24 LYS CB C 24 32.082 32.429 -0.347 1
1 176 . 8 1 1 A 24 24 LYS N N 24 119.449 120.756 -1.307 1
1 177 . 8 1 1 A 25 25 GLU H H 25 7.887 7.738 0.149 1
1 178 . 8 1 1 A 25 25 GLU HA H 25 4.596 4.114 0.482 1
1 183 . 8 1 1 A 25 25 GLU C C 25 177.923 179.236 -1.313 1
1 184 . 8 1 1 A 25 25 GLU CA C 25 58.799 59.312 -0.513 1
1 185 . 8 1 1 A 25 25 GLU CB C 25 28.787 29.394 -0.607 1
1 187 . 8 1 1 A 25 25 GLU N N 25 121.941 119.010 2.931 1
1 188 . 8 1 1 A 26 26 PHE H H 26 8.843 8.298 0.545 1
1 189 . 8 1 1 A 26 26 PHE HA H 26 4.865 4.580 0.285 1
1 197 . 8 1 1 A 26 26 PHE C C 26 176.380 177.638 -1.258 1
1 198 . 8 1 1 A 26 26 PHE CA C 26 60.798 60.768 0.030 1
1 199 . 8 1 1 A 26 26 PHE CB C 26 38.969 38.966 0.003 1
1 205 . 8 1 1 A 26 26 PHE N N 26 121.919 120.561 1.358 1
1 206 . 8 1 1 A 27 27 GLU H H 27 7.839 8.719 -0.880 1
1 207 . 8 1 1 A 27 27 GLU HA H 27 3.952 4.086 -0.134 1
1 212 . 8 1 1 A 27 27 GLU C C 27 178.335 178.486 -0.151 1
1 213 . 8 1 1 A 27 27 GLU CA C 27 58.650 60.352 -1.702 1
1 214 . 8 1 1 A 27 27 GLU CB C 27 29.772 29.396 0.376 1
1 216 . 8 1 1 A 27 27 GLU N N 27 115.144 117.614 -2.470 1
1 217 . 8 1 1 A 28 28 ARG H H 28 7.573 7.348 0.225 1
1 218 . 8 1 1 A 28 28 ARG HA H 28 4.109 4.155 -0.046 1
1 225 . 8 1 1 A 28 28 ARG C C 28 177.059 175.763 1.296 1
1 226 . 8 1 1 A 28 28 ARG CA C 28 58.740 57.985 0.755 1
1 227 . 8 1 1 A 28 28 ARG CB C 28 30.995 31.757 -0.762 1
1 230 . 8 1 1 A 28 28 ARG N N 28 120.497 119.034 1.463 1
1 231 . 8 1 1 A 29 29 THR H H 29 8.786 7.646 1.140 1
1 232 . 8 1 1 A 29 29 THR HA H 29 4.291 4.477 -0.186 1
1 237 . 8 1 1 A 29 29 THR C C 29 170.391 173.514 -3.123 1
1 238 . 8 1 1 A 29 29 THR CA C 29 59.674 60.335 -0.661 1
1 239 . 8 1 1 A 29 29 THR CB C 29 68.880 71.399 -2.519 1
1 241 . 8 1 1 A 29 29 THR N N 29 114.915 111.743 3.172 1
1 242 . 8 1 1 A 30 30 HIS H H 30 8.292 8.416 -0.124 1
1 243 . 8 1 1 A 30 30 HIS HA H 30 4.420 3.567 0.853 1
1 248 . 8 1 1 A 30 30 HIS C C 30 174.569 174.448 0.121 1
1 249 . 8 1 1 A 30 30 HIS CA C 30 54.798 57.141 -2.343 1
1 250 . 8 1 1 A 30 30 HIS CB C 30 30.629 29.102 1.527 1
1 253 . 8 1 1 A 30 30 HIS N N 30 122.126 125.066 -2.940 1
1 254 . 8 1 1 A 31 31 TYR H H 31 8.179 7.248 0.931 1
1 255 . 8 1 1 A 31 31 TYR HA H 31 4.731 4.933 -0.202 1
1 262 . 8 1 1 A 31 31 TYR C C 31 172.551 173.227 -0.676 1
1 263 . 8 1 1 A 31 31 TYR CA C 31 55.259 54.865 0.394 1
1 264 . 8 1 1 A 31 31 TYR CB C 31 39.362 38.400 0.962 1
1 269 . 8 1 1 A 31 31 TYR N N 31 115.063 117.883 -2.820 1
1 270 . 8 1 1 A 32 32 PRO HA H 32 4.256 4.626 -0.370 1
1 277 . 8 1 1 A 32 32 PRO C C 32 177.388 176.963 0.425 1
1 278 . 8 1 1 A 32 32 PRO CA C 32 62.903 62.108 0.795 1
1 279 . 8 1 1 A 32 32 PRO CB C 32 30.896 30.203 0.693 1
1 282 . 8 1 1 A 33 33 ASP H H 33 8.457 8.192 0.265 1
1 283 . 8 1 1 A 33 33 ASP HA H 33 4.495 4.635 -0.140 1
1 286 . 8 1 1 A 33 33 ASP C C 33 175.824 177.521 -1.697 1
1 287 . 8 1 1 A 33 33 ASP CA C 33 52.776 54.554 -1.778 1
1 288 . 8 1 1 A 33 33 ASP CB C 33 41.174 41.975 -0.801 1
1 289 . 8 1 1 A 33 33 ASP N N 33 124.636 122.912 1.724 1
1 290 . 8 1 1 A 34 34 VAL H H 34 8.331 8.485 -0.154 1
1 291 . 8 1 1 A 34 34 VAL HA H 34 3.488 3.740 -0.252 1
1 299 . 8 1 1 A 34 34 VAL C C 34 176.133 177.404 -1.271 1
1 300 . 8 1 1 A 34 34 VAL CA C 34 66.176 65.221 0.955 1
1 301 . 8 1 1 A 34 34 VAL CB C 34 31.401 31.518 -0.117 1
1 304 . 8 1 1 A 34 34 VAL N N 34 117.908 123.805 -5.897 1
1 305 . 8 1 1 A 35 35 PHE H H 35 7.127 7.790 -0.663 1
1 306 . 8 1 1 A 35 35 PHE HA H 35 4.339 4.157 0.182 1
1 314 . 8 1 1 A 35 35 PHE C C 35 178.808 177.277 1.531 1
1 315 . 8 1 1 A 35 35 PHE CA C 35 60.335 61.523 -1.188 1
1 316 . 8 1 1 A 35 35 PHE CB C 35 37.927 37.750 0.177 1
1 322 . 8 1 1 A 35 35 PHE N N 35 120.263 119.963 0.300 1
1 323 . 8 1 1 A 36 36 ALA H H 36 8.428 8.008 0.420 1
1 324 . 8 1 1 A 36 36 ALA HA H 36 4.094 4.336 -0.242 1
1 328 . 8 1 1 A 36 36 ALA C C 36 181.812 179.443 2.369 1
1 329 . 8 1 1 A 36 36 ALA CA C 36 55.062 54.545 0.517 1
1 330 . 8 1 1 A 36 36 ALA CB C 36 18.484 19.123 -0.639 1
1 331 . 8 1 1 A 36 36 ALA N N 36 123.569 121.778 1.791 1
1 332 . 8 1 1 A 37 37 ARG H H 37 8.695 8.305 0.390 1
1 333 . 8 1 1 A 37 37 ARG HA H 37 3.920 3.980 -0.060 1
1 341 . 8 1 1 A 37 37 ARG C C 37 178.232 178.957 -0.725 1
1 342 . 8 1 1 A 37 37 ARG CA C 37 61.034 59.802 1.232 1
1 343 . 8 1 1 A 37 37 ARG CB C 37 31.263 29.820 1.443 1
1 346 . 8 1 1 A 37 37 ARG N N 37 117.907 117.733 0.174 1
1 348 . 8 1 1 A 38 38 GLU H H 38 8.531 8.215 0.316 1
1 349 . 8 1 1 A 38 38 GLU HA H 38 4.051 4.081 -0.030 1
1 354 . 8 1 1 A 38 38 GLU C C 38 179.940 179.362 0.578 1
1 355 . 8 1 1 A 38 38 GLU CA C 38 59.765 59.270 0.495 1
1 356 . 8 1 1 A 38 38 GLU CB C 38 29.456 29.182 0.274 1
1 358 . 8 1 1 A 38 38 GLU N N 38 119.688 119.629 0.059 1
1 359 . 8 1 1 A 39 39 ARG H H 39 8.096 8.084 0.012 1
1 360 . 8 1 1 A 39 39 ARG HA H 39 4.130 4.027 0.103 1
1 366 . 8 1 1 A 39 39 ARG C C 39 179.425 178.744 0.681 1
1 367 . 8 1 1 A 39 39 ARG CA C 39 59.368 58.997 0.371 1
1 368 . 8 1 1 A 39 39 ARG CB C 39 30.300 29.973 0.327 1
1 371 . 8 1 1 A 39 39 ARG N N 39 120.527 120.310 0.217 1
1 372 . 8 1 1 A 40 40 LEU H H 40 7.933 8.013 -0.080 1
1 373 . 8 1 1 A 40 40 LEU HA H 40 4.121 4.080 0.041 1
1 383 . 8 1 1 A 40 40 LEU C C 40 177.861 178.283 -0.422 1
1 384 . 8 1 1 A 40 40 LEU CA C 40 57.807 57.506 0.301 1
1 385 . 8 1 1 A 40 40 LEU CB C 40 42.446 41.279 1.167 1
1 389 . 8 1 1 A 40 40 LEU N N 40 121.371 121.536 -0.165 1
1 390 . 8 1 1 A 41 41 ALA H H 41 8.537 8.579 -0.042 1
1 391 . 8 1 1 A 41 41 ALA HA H 41 4.102 4.151 -0.049 1
1 395 . 8 1 1 A 41 41 ALA C C 41 180.372 179.225 1.147 1
1 396 . 8 1 1 A 41 41 ALA CA C 41 56.060 55.460 0.600 1
1 397 . 8 1 1 A 41 41 ALA CB C 41 18.892 18.343 0.549 1
1 398 . 8 1 1 A 41 41 ALA N N 41 121.892 120.617 1.275 1
1 399 . 8 1 1 A 42 42 ALA H H 42 7.400 7.337 0.063 1
1 400 . 8 1 1 A 42 42 ALA HA H 42 4.242 4.221 0.021 1
1 404 . 8 1 1 A 42 42 ALA C C 42 179.631 180.249 -0.618 1
1 405 . 8 1 1 A 42 42 ALA CA C 42 53.951 53.556 0.395 1
1 406 . 8 1 1 A 42 42 ALA CB C 42 18.484 19.126 -0.642 1
1 407 . 8 1 1 A 42 42 ALA N N 42 116.807 119.770 -2.963 1
1 408 . 8 1 1 A 43 43 LYS H H 43 7.781 8.145 -0.364 1
1 409 . 8 1 1 A 43 43 LYS HA H 43 4.229 4.049 0.180 1
1 417 . 8 1 1 A 43 43 LYS C C 43 178.746 177.897 0.849 1
1 418 . 8 1 1 A 43 43 LYS CA C 43 58.710 58.755 -0.045 1
1 419 . 8 1 1 A 43 43 LYS CB C 43 33.610 32.481 1.129 1
1 423 . 8 1 1 A 43 43 LYS N N 43 118.433 118.718 -0.285 1
1 424 . 8 1 1 A 44 44 ILE H H 44 8.094 7.447 0.647 1
1 425 . 8 1 1 A 44 44 ILE HA H 44 4.655 4.389 0.266 1
1 435 . 8 1 1 A 44 44 ILE C C 44 175.042 175.358 -0.316 1
1 436 . 8 1 1 A 44 44 ILE CA C 44 60.606 60.186 0.420 1
1 437 . 8 1 1 A 44 44 ILE CB C 44 38.341 39.242 -0.901 1
1 441 . 8 1 1 A 44 44 ILE N N 44 108.112 111.516 -3.404 1
1 442 . 8 1 1 A 45 45 ASP H H 45 7.811 8.221 -0.410 1
1 443 . 8 1 1 A 45 45 ASP HA H 45 4.333 4.244 0.089 1
1 446 . 8 1 1 A 45 45 ASP C C 45 173.848 174.614 -0.766 1
1 447 . 8 1 1 A 45 45 ASP CA C 45 55.065 55.132 -0.067 1
1 448 . 8 1 1 A 45 45 ASP CB C 45 39.031 39.559 -0.528 1
1 449 . 8 1 1 A 45 45 ASP N N 45 121.798 122.000 -0.202 1
1 450 . 8 1 1 A 46 46 LEU H H 46 7.550 7.823 -0.273 1
1 451 . 8 1 1 A 46 46 LEU HA H 46 4.990 4.876 0.114 1
1 461 . 8 1 1 A 46 46 LEU C C 46 173.536 174.499 -0.963 1
1 462 . 8 1 1 A 46 46 LEU CA C 46 51.364 51.219 0.145 1
1 463 . 8 1 1 A 46 46 LEU CB C 46 47.443 44.584 2.859 1
1 467 . 8 1 1 A 46 46 LEU N N 46 118.454 119.197 -0.743 1
1 468 . 8 1 1 A 47 47 PRO HA H 47 4.548 4.691 -0.143 1
1 475 . 8 1 1 A 47 47 PRO C C 47 178.417 177.866 0.551 1
1 476 . 8 1 1 A 47 47 PRO CA C 47 62.268 62.835 -0.567 1
1 477 . 8 1 1 A 47 47 PRO CB C 47 32.600 32.051 0.549 1
1 480 . 8 1 1 A 48 48 GLU H H 48 9.253 9.062 0.191 1
1 481 . 8 1 1 A 48 48 GLU HA H 48 3.799 3.989 -0.190 1
1 486 . 8 1 1 A 48 48 GLU C C 48 178.273 178.082 0.191 1
1 487 . 8 1 1 A 48 48 GLU CA C 48 61.083 59.675 1.408 1
1 488 . 8 1 1 A 48 48 GLU CB C 48 28.815 29.415 -0.600 1
1 490 . 8 1 1 A 48 48 GLU N N 48 126.081 124.558 1.523 1
1 491 . 8 1 1 A 49 49 ALA H H 49 8.923 8.276 0.647 1
1 492 . 8 1 1 A 49 49 ALA HA H 49 4.128 4.094 0.034 1
1 496 . 8 1 1 A 49 49 ALA C C 49 181.277 179.474 1.803 1
1 497 . 8 1 1 A 49 49 ALA CA C 49 55.569 55.226 0.343 1
1 498 . 8 1 1 A 49 49 ALA CB C 49 18.681 18.182 0.499 1
1 499 . 8 1 1 A 49 49 ALA N N 49 119.313 121.943 -2.630 1
1 500 . 8 1 1 A 50 50 ARG H H 50 7.417 8.219 -0.802 1
1 501 . 8 1 1 A 50 50 ARG HA H 50 4.348 4.169 0.179 1
1 508 . 8 1 1 A 50 50 ARG C C 50 179.425 178.607 0.818 1
1 509 . 8 1 1 A 50 50 ARG CA C 50 57.978 59.726 -1.748 1
1 510 . 8 1 1 A 50 50 ARG CB C 50 29.723 30.116 -0.393 1
1 513 . 8 1 1 A 50 50 ARG N N 50 114.567 117.760 -3.193 1
1 514 . 8 1 1 A 51 51 ILE H H 51 7.785 7.951 -0.166 1
1 515 . 8 1 1 A 51 51 ILE HA H 51 3.816 3.834 -0.018 1
1 525 . 8 1 1 A 51 51 ILE C C 51 178.088 178.251 -0.163 1
1 526 . 8 1 1 A 51 51 ILE CA C 51 65.848 65.425 0.423 1
1 527 . 8 1 1 A 51 51 ILE CB C 51 37.785 37.700 0.085 1
1 531 . 8 1 1 A 51 51 ILE N N 51 121.669 120.608 1.061 1
1 532 . 8 1 1 A 52 52 GLN H H 52 8.478 7.741 0.737 1
1 533 . 8 1 1 A 52 52 GLN HA H 52 4.423 4.048 0.375 1
1 539 . 8 1 1 A 52 52 GLN C C 52 179.364 178.749 0.615 1
1 540 . 8 1 1 A 52 52 GLN CA C 52 60.232 58.731 1.501 1
1 541 . 8 1 1 A 52 52 GLN CB C 52 28.945 28.701 0.244 1
1 543 . 8 1 1 A 52 52 GLN N N 52 118.943 118.754 0.189 1
1 545 . 8 1 1 A 53 53 VAL H H 53 7.582 7.848 -0.266 1
1 546 . 8 1 1 A 53 53 VAL HA H 53 3.842 3.798 0.044 1
1 554 . 8 1 1 A 53 53 VAL C C 53 177.800 178.201 -0.401 1
1 555 . 8 1 1 A 53 53 VAL CA C 53 66.633 66.811 -0.178 1
1 556 . 8 1 1 A 53 53 VAL CB C 53 32.241 31.787 0.454 1
1 559 . 8 1 1 A 53 53 VAL N N 53 120.375 120.039 0.336 1
1 560 . 8 1 1 A 54 54 TRP H H 54 8.390 8.287 0.103 1
1 561 . 8 1 1 A 54 54 TRP HA H 54 4.050 4.121 -0.071 1
1 570 . 8 1 1 A 54 54 TRP C C 54 180.084 178.287 1.797 1
1 571 . 8 1 1 A 54 54 TRP CA C 54 63.229 61.200 2.029 1
1 572 . 8 1 1 A 54 54 TRP CB C 54 28.726 29.474 -0.748 1
1 578 . 8 1 1 A 54 54 TRP N N 54 121.414 121.270 0.144 1
1 580 . 8 1 1 A 55 55 PHE H H 55 9.127 8.307 0.820 1
1 581 . 8 1 1 A 55 55 PHE HA H 55 3.771 4.680 -0.909 1
1 589 . 8 1 1 A 55 55 PHE C C 55 178.170 178.475 -0.305 1
1 590 . 8 1 1 A 55 55 PHE CA C 55 63.826 62.061 1.765 1
1 591 . 8 1 1 A 55 55 PHE CB C 55 39.195 38.834 0.361 1
1 597 . 8 1 1 A 55 55 PHE N N 55 118.358 117.078 1.280 1
1 598 . 8 1 1 A 56 56 SER H H 56 8.267 8.894 -0.627 1
1 599 . 8 1 1 A 56 56 SER HA H 56 4.148 4.146 0.002 1
1 602 . 8 1 1 A 56 56 SER C C 56 178.376 177.359 1.017 1
1 603 . 8 1 1 A 56 56 SER CA C 56 62.578 61.898 0.680 1
1 604 . 8 1 1 A 56 56 SER CB C 56 62.412 63.219 -0.807 1
1 605 . 8 1 1 A 56 56 SER N N 56 115.049 115.642 -0.593 1
1 606 . 8 1 1 A 57 57 ASN H H 57 8.231 8.478 -0.247 1
1 607 . 8 1 1 A 57 57 ASN HA H 57 4.411 4.475 -0.064 1
1 612 . 8 1 1 A 57 57 ASN C C 57 177.573 177.562 0.011 1
1 613 . 8 1 1 A 57 57 ASN CA C 57 55.698 56.096 -0.398 1
1 614 . 8 1 1 A 57 57 ASN CB C 57 37.827 37.780 0.047 1
1 615 . 8 1 1 A 57 57 ASN N N 57 120.846 119.985 0.861 1
1 617 . 8 1 1 A 58 58 ARG H H 58 8.531 7.434 1.097 1
1 618 . 8 1 1 A 58 58 ARG HA H 58 3.533 3.487 0.046 1
1 626 . 8 1 1 A 58 58 ARG C C 58 179.919 178.326 1.593 1
1 627 . 8 1 1 A 58 58 ARG CA C 58 56.451 59.353 -2.902 1
1 628 . 8 1 1 A 58 58 ARG CB C 58 27.981 29.217 -1.236 1
1 631 . 8 1 1 A 58 58 ARG N N 58 124.704 120.535 4.169 1
1 633 . 8 1 1 A 59 59 ARG H H 59 8.496 8.026 0.470 1
1 634 . 8 1 1 A 59 59 ARG HA H 59 4.072 4.220 -0.148 1
1 641 . 8 1 1 A 59 59 ARG C C 59 178.520 179.279 -0.759 1
1 642 . 8 1 1 A 59 59 ARG CA C 59 60.970 59.669 1.301 1
1 643 . 8 1 1 A 59 59 ARG CB C 59 31.601 29.968 1.633 1
1 646 . 8 1 1 A 59 59 ARG N N 59 120.108 118.303 1.805 1
1 647 . 8 1 1 A 60 60 ALA H H 60 7.487 8.166 -0.679 1
1 648 . 8 1 1 A 60 60 ALA HA H 60 4.197 4.127 0.070 1
1 652 . 8 1 1 A 60 60 ALA C C 60 180.475 179.969 0.506 1
1 653 . 8 1 1 A 60 60 ALA CA C 60 55.547 54.978 0.569 1
1 654 . 8 1 1 A 60 60 ALA CB C 60 17.635 18.235 -0.600 1
1 655 . 8 1 1 A 60 60 ALA N N 60 121.949 121.768 0.181 1
1 656 . 8 1 1 A 61 61 LYS H H 61 7.733 7.798 -0.065 1
1 657 . 8 1 1 A 61 61 LYS HA H 61 3.927 3.997 -0.070 1
1 666 . 8 1 1 A 61 61 LYS C C 61 177.656 178.742 -1.086 1
1 667 . 8 1 1 A 61 61 LYS CA C 61 59.590 58.721 0.869 1
1 668 . 8 1 1 A 61 61 LYS CB C 61 32.903 31.973 0.930 1
1 672 . 8 1 1 A 61 61 LYS N N 61 120.311 118.108 2.203 1
1 673 . 8 1 1 A 62 62 TRP H H 62 8.235 8.165 0.070 1
1 674 . 8 1 1 A 62 62 TRP HA H 62 4.475 4.276 0.199 1
1 683 . 8 1 1 A 62 62 TRP C C 62 178.088 178.360 -0.272 1
1 684 . 8 1 1 A 62 62 TRP CA C 62 61.043 60.561 0.482 1
1 685 . 8 1 1 A 62 62 TRP CB C 62 29.113 29.789 -0.676 1
1 691 . 8 1 1 A 62 62 TRP N N 62 120.161 121.893 -1.732 1
1 693 . 8 1 1 A 63 63 ARG H H 63 8.579 8.727 -0.148 1
1 694 . 8 1 1 A 63 63 ARG HA H 63 3.762 3.791 -0.029 1
1 701 . 8 1 1 A 63 63 ARG C C 63 179.220 178.700 0.520 1
1 702 . 8 1 1 A 63 63 ARG CA C 63 59.644 59.403 0.241 1
1 703 . 8 1 1 A 63 63 ARG CB C 63 30.498 30.037 0.461 1
1 706 . 8 1 1 A 63 63 ARG N N 63 117.951 119.045 -1.094 1
1 707 . 8 1 1 A 64 64 ARG H H 64 7.754 7.964 -0.210 1
1 708 . 8 1 1 A 64 64 ARG HA H 64 4.075 4.014 0.061 1
1 715 . 8 1 1 A 64 64 ARG C C 64 178.643 178.739 -0.096 1
1 716 . 8 1 1 A 64 64 ARG CA C 64 59.313 59.145 0.168 1
1 717 . 8 1 1 A 64 64 ARG CB C 64 30.254 29.823 0.431 1
1 720 . 8 1 1 A 64 64 ARG N N 64 119.265 118.662 0.603 1
1 721 . 8 1 1 A 65 65 GLU H H 65 8.134 8.148 -0.014 1
1 722 . 8 1 1 A 65 65 GLU HA H 65 3.988 4.036 -0.048 1
1 727 . 8 1 1 A 65 65 GLU C C 65 178.890 178.651 0.239 1
1 728 . 8 1 1 A 65 65 GLU CA C 65 58.891 59.124 -0.233 1
1 729 . 8 1 1 A 65 65 GLU CB C 65 29.228 29.392 -0.164 1
1 731 . 8 1 1 A 65 65 GLU N N 65 119.336 119.330 0.006 1
1 732 . 8 1 1 A 66 66 GLU H H 66 8.212 8.043 0.169 1
1 733 . 8 1 1 A 66 66 GLU HA H 66 3.804 3.761 0.043 1
1 738 . 8 1 1 A 66 66 GLU C C 66 178.273 178.714 -0.441 1
1 739 . 8 1 1 A 66 66 GLU CA C 66 58.714 59.336 -0.622 1
1 740 . 8 1 1 A 66 66 GLU CB C 66 29.493 28.913 0.580 1
1 742 . 8 1 1 A 66 66 GLU N N 66 121.135 120.231 0.904 1
1 743 . 8 1 1 A 67 67 LYS H H 67 7.663 7.738 -0.075 1
1 744 . 8 1 1 A 67 67 LYS HA H 67 4.044 4.021 0.023 1
1 752 . 8 1 1 A 67 67 LYS C C 67 178.787 178.587 0.200 1
1 753 . 8 1 1 A 67 67 LYS CA C 67 58.801 59.406 -0.605 1
1 754 . 8 1 1 A 67 67 LYS CB C 67 32.239 31.998 0.241 1
1 758 . 8 1 1 A 67 67 LYS N N 67 119.200 119.548 -0.348 1
1 759 . 8 1 1 A 68 68 LEU H H 68 7.631 7.956 -0.325 1
1 760 . 8 1 1 A 68 68 LEU HA H 68 4.155 3.830 0.325 1
1 770 . 8 1 1 A 68 68 LEU C C 68 179.055 179.091 -0.036 1
1 771 . 8 1 1 A 68 68 LEU CA C 68 56.903 57.928 -1.025 1
1 772 . 8 1 1 A 68 68 LEU CB C 68 41.850 41.409 0.441 1
1 776 . 8 1 1 A 68 68 LEU N N 68 118.976 119.637 -0.661 1
1 777 . 8 1 1 A 69 69 ARG H H 69 7.900 7.626 0.274 1
1 778 . 8 1 1 A 69 69 ARG HA H 69 4.089 3.864 0.225 1
1 785 . 8 1 1 A 69 69 ARG C C 69 177.985 178.542 -0.557 1
1 786 . 8 1 1 A 69 69 ARG CA C 69 58.551 59.848 -1.297 1
1 787 . 8 1 1 A 69 69 ARG CB C 69 30.430 30.057 0.373 1
1 790 . 8 1 1 A 69 69 ARG N N 69 119.387 119.818 -0.431 1
1 791 . 8 1 1 A 70 70 ASN H H 70 8.088 8.155 -0.067 1
1 792 . 8 1 1 A 70 70 ASN HA H 70 4.633 4.386 0.247 1
1 797 . 8 1 1 A 70 70 ASN C C 70 176.194 177.421 -1.227 1
1 798 . 8 1 1 A 70 70 ASN CA C 70 54.463 56.519 -2.056 1
1 799 . 8 1 1 A 70 70 ASN CB C 70 38.805 39.740 -0.935 1
1 800 . 8 1 1 A 70 70 ASN N N 70 117.289 118.034 -0.745 1
1 802 . 8 1 1 A 71 71 GLN H H 71 8.017 8.240 -0.223 1
1 803 . 8 1 1 A 71 71 GLN HA H 71 4.263 3.986 0.277 1
1 810 . 8 1 1 A 71 71 GLN C C 71 176.750 177.152 -0.402 1
1 811 . 8 1 1 A 71 71 GLN CA C 71 57.031 59.054 -2.023 1
1 812 . 8 1 1 A 71 71 GLN CB C 71 29.122 28.425 0.697 1
1 814 . 8 1 1 A 71 71 GLN N N 71 119.838 117.979 1.859 1
1 816 . 8 1 1 A 72 72 ARG H H 72 8.125 7.165 0.960 1
1 817 . 8 1 1 A 72 72 ARG HA H 72 4.312 4.557 -0.245 1
1 823 . 8 1 1 A 72 72 ARG C C 72 176.729 175.477 1.252 1
1 824 . 8 1 1 A 72 72 ARG CA C 72 56.840 54.875 1.965 1
1 825 . 8 1 1 A 72 72 ARG CB C 72 30.500 30.203 0.297 1
1 828 . 8 1 1 A 72 72 ARG N N 72 120.534 116.153 4.381 1
1 829 . 8 1 1 A 73 73 ARG H H 73 8.148 7.610 0.538 1
1 830 . 8 1 1 A 73 73 ARG HA H 73 4.412 4.000 0.412 1
1 836 . 8 1 1 A 73 73 ARG C C 73 176.552 177.243 -0.691 1
1 837 . 8 1 1 A 73 73 ARG CA C 73 56.445 56.786 -0.341 1
1 838 . 8 1 1 A 73 73 ARG CB C 73 30.676 31.248 -0.572 1
1 841 . 8 1 1 A 73 73 ARG N N 73 121.356 122.672 -1.316 1
1 842 . 8 1 1 A 74 74 GLN HA H 74 4.334 3.922 0.412 1
1 846 . 8 1 1 A 74 74 GLN CA C 74 56.127 59.558 -3.431 1
1 847 . 8 1 1 A 74 74 GLN CB C 74 29.362 28.539 0.823 1
1 849 . 8 1 1 A 76 76 GLY HA2 H 76 4.168 4.201 -0.033 1
1 850 . 8 1 1 A 76 76 GLY HA3 H 76 4.168 4.202 -0.034 1
1 851 . 8 1 1 A 76 76 GLY CA C 76 44.736 45.483 -0.747 1
1 852 . 8 1 1 A 77 77 PRO HA H 77 4.502 4.428 0.074 1
1 859 . 8 1 1 A 77 77 PRO CA C 77 63.330 63.139 0.191 1
1 860 . 8 1 1 A 77 77 PRO CB C 77 32.217 30.870 1.347 1
1 863 . 8 1 1 A 79 79 SER HA H 79 4.524 4.946 -0.422 1
1 865 . 8 1 1 A 79 79 SER C C 79 173.931 173.110 0.821 1
1 866 . 8 1 1 A 79 79 SER CA C 79 58.409 56.936 1.473 1
1 867 . 8 1 1 A 79 79 SER CB C 79 64.147 65.558 -1.411 1
1 1 . 9 1 1 A 8 8 GLN H H 8 8.925 8.475 0.450 1
1 2 . 9 1 1 A 8 8 GLN HA H 8 4.398 4.455 -0.057 1
1 8 . 9 1 1 A 8 8 GLN CA C 8 56.051 55.284 0.767 1
1 9 . 9 1 1 A 8 8 GLN CB C 8 29.491 28.062 1.429 1
1 12 . 9 1 1 A 12 12 THR HA H 12 4.352 4.066 0.286 1
1 17 . 9 1 1 A 12 12 THR CA C 12 61.819 65.781 -3.962 1
1 18 . 9 1 1 A 12 12 THR CB C 12 69.783 69.692 0.091 1
1 20 . 9 1 1 A 13 13 SER HA H 13 4.465 3.975 0.490 1
1 23 . 9 1 1 A 13 13 SER C C 13 173.828 172.389 1.439 1
1 24 . 9 1 1 A 13 13 SER CA C 13 57.973 59.249 -1.276 1
1 25 . 9 1 1 A 13 13 SER CB C 13 64.246 60.755 3.491 1
1 26 . 9 1 1 A 14 14 PHE H H 14 8.322 7.722 0.600 1
1 27 . 9 1 1 A 14 14 PHE HA H 14 5.035 5.147 -0.112 1
1 35 . 9 1 1 A 14 14 PHE C C 14 176.750 174.689 2.061 1
1 36 . 9 1 1 A 14 14 PHE CA C 14 56.624 56.545 0.079 1
1 37 . 9 1 1 A 14 14 PHE CB C 14 41.174 44.258 -3.084 1
1 43 . 9 1 1 A 14 14 PHE N N 14 121.036 119.357 1.679 1
1 44 . 9 1 1 A 15 15 THR H H 15 8.944 8.235 0.709 1
1 45 . 9 1 1 A 15 15 THR HA H 15 4.529 5.106 -0.577 1
1 50 . 9 1 1 A 15 15 THR C C 15 175.433 175.369 0.064 1
1 51 . 9 1 1 A 15 15 THR CA C 15 60.644 59.358 1.286 1
1 52 . 9 1 1 A 15 15 THR CB C 15 70.784 71.886 -1.102 1
1 54 . 9 1 1 A 15 15 THR N N 15 113.618 112.834 0.784 1
1 55 . 9 1 1 A 16 16 GLN H H 16 9.086 8.970 0.116 1
1 56 . 9 1 1 A 16 16 GLN HA H 16 4.016 4.036 -0.020 1
1 63 . 9 1 1 A 16 16 GLN C C 16 178.149 177.500 0.649 1
1 64 . 9 1 1 A 16 16 GLN CA C 16 59.283 59.244 0.039 1
1 65 . 9 1 1 A 16 16 GLN CB C 16 27.943 28.347 -0.404 1
1 67 . 9 1 1 A 16 16 GLN N N 16 121.415 121.398 0.017 1
1 69 . 9 1 1 A 17 17 GLU H H 17 8.837 8.390 0.447 1
1 70 . 9 1 1 A 17 17 GLU HA H 17 4.048 4.367 -0.319 1
1 75 . 9 1 1 A 17 17 GLU C C 17 180.248 178.903 1.345 1
1 76 . 9 1 1 A 17 17 GLU CA C 17 60.156 59.097 1.059 1
1 77 . 9 1 1 A 17 17 GLU CB C 17 29.125 29.354 -0.229 1
1 79 . 9 1 1 A 17 17 GLU N N 17 117.930 119.338 -1.408 1
1 80 . 9 1 1 A 18 18 GLN H H 18 7.738 8.355 -0.617 1
1 81 . 9 1 1 A 18 18 GLN HA H 18 3.809 4.215 -0.406 1
1 88 . 9 1 1 A 18 18 GLN C C 18 177.079 178.098 -1.019 1
1 89 . 9 1 1 A 18 18 GLN CA C 18 59.358 57.873 1.485 1
1 90 . 9 1 1 A 18 18 GLN CB C 18 27.338 29.258 -1.920 1
1 92 . 9 1 1 A 18 18 GLN N N 18 119.421 118.802 0.619 1
1 94 . 9 1 1 A 19 19 ILE H H 19 8.265 8.532 -0.267 1
1 95 . 9 1 1 A 19 19 ILE HA H 19 3.240 3.676 -0.436 1
1 105 . 9 1 1 A 19 19 ILE C C 19 177.409 177.909 -0.500 1
1 106 . 9 1 1 A 19 19 ILE CA C 19 64.693 65.097 -0.404 1
1 107 . 9 1 1 A 19 19 ILE CB C 19 37.544 37.487 0.057 1
1 111 . 9 1 1 A 19 19 ILE N N 19 118.326 120.815 -2.489 1
1 112 . 9 1 1 A 20 20 GLU H H 20 8.304 8.486 -0.182 1
1 113 . 9 1 1 A 20 20 GLU HA H 20 3.916 4.019 -0.103 1
1 118 . 9 1 1 A 20 20 GLU C C 20 179.281 178.320 0.961 1
1 119 . 9 1 1 A 20 20 GLU CA C 20 59.674 59.169 0.505 1
1 120 . 9 1 1 A 20 20 GLU CB C 20 29.369 29.260 0.109 1
1 122 . 9 1 1 A 20 20 GLU N N 20 117.948 120.103 -2.155 1
1 123 . 9 1 1 A 21 21 ALA H H 21 7.335 7.772 -0.437 1
1 124 . 9 1 1 A 21 21 ALA HA H 21 4.095 4.023 0.072 1
1 128 . 9 1 1 A 21 21 ALA C C 21 180.825 179.961 0.864 1
1 129 . 9 1 1 A 21 21 ALA CA C 21 54.885 54.331 0.554 1
1 130 . 9 1 1 A 21 21 ALA CB C 21 19.190 18.378 0.812 1
1 131 . 9 1 1 A 21 21 ALA N N 21 120.460 122.255 -1.795 1
1 132 . 9 1 1 A 22 22 LEU H H 22 8.100 8.269 -0.169 1
1 133 . 9 1 1 A 22 22 LEU HA H 22 3.490 3.621 -0.131 1
1 143 . 9 1 1 A 22 22 LEU C C 22 177.861 178.744 -0.883 1
1 144 . 9 1 1 A 22 22 LEU CA C 22 58.530 57.022 1.508 1
1 145 . 9 1 1 A 22 22 LEU CB C 22 37.691 40.147 -2.456 1
1 149 . 9 1 1 A 22 22 LEU N N 22 122.412 120.048 2.364 1
1 150 . 9 1 1 A 23 23 GLU H H 23 8.534 8.002 0.532 1
1 151 . 9 1 1 A 23 23 GLU HA H 23 4.360 4.184 0.176 1
1 156 . 9 1 1 A 23 23 GLU C C 23 180.413 179.499 0.914 1
1 157 . 9 1 1 A 23 23 GLU CA C 23 59.072 59.394 -0.322 1
1 158 . 9 1 1 A 23 23 GLU CB C 23 28.905 29.972 -1.067 1
1 160 . 9 1 1 A 23 23 GLU N N 23 118.309 119.777 -1.468 1
1 161 . 9 1 1 A 24 24 LYS H H 24 7.898 7.895 0.003 1
1 162 . 9 1 1 A 24 24 LYS HA H 24 4.170 4.038 0.132 1
1 170 . 9 1 1 A 24 24 LYS C C 24 179.672 178.655 1.017 1
1 171 . 9 1 1 A 24 24 LYS CA C 24 59.144 59.301 -0.157 1
1 172 . 9 1 1 A 24 24 LYS CB C 24 32.082 32.088 -0.006 1
1 176 . 9 1 1 A 24 24 LYS N N 24 119.449 121.203 -1.754 1
1 177 . 9 1 1 A 25 25 GLU H H 25 7.887 7.559 0.328 1
1 178 . 9 1 1 A 25 25 GLU HA H 25 4.596 4.143 0.453 1
1 183 . 9 1 1 A 25 25 GLU C C 25 177.923 179.104 -1.181 1
1 184 . 9 1 1 A 25 25 GLU CA C 25 58.799 58.978 -0.179 1
1 185 . 9 1 1 A 25 25 GLU CB C 25 28.787 29.291 -0.504 1
1 187 . 9 1 1 A 25 25 GLU N N 25 121.941 118.903 3.038 1
1 188 . 9 1 1 A 26 26 PHE H H 26 8.843 8.365 0.478 1
1 189 . 9 1 1 A 26 26 PHE HA H 26 4.865 4.424 0.441 1
1 197 . 9 1 1 A 26 26 PHE C C 26 176.380 177.815 -1.435 1
1 198 . 9 1 1 A 26 26 PHE CA C 26 60.798 61.227 -0.429 1
1 199 . 9 1 1 A 26 26 PHE CB C 26 38.969 38.785 0.184 1
1 205 . 9 1 1 A 26 26 PHE N N 26 121.919 120.889 1.030 1
1 206 . 9 1 1 A 27 27 GLU H H 27 7.839 8.990 -1.151 1
1 207 . 9 1 1 A 27 27 GLU HA H 27 3.952 4.080 -0.128 1
1 212 . 9 1 1 A 27 27 GLU C C 27 178.335 178.676 -0.341 1
1 213 . 9 1 1 A 27 27 GLU CA C 27 58.650 59.115 -0.465 1
1 214 . 9 1 1 A 27 27 GLU CB C 27 29.772 28.531 1.241 1
1 216 . 9 1 1 A 27 27 GLU N N 27 115.144 117.494 -2.350 1
1 217 . 9 1 1 A 28 28 ARG H H 28 7.573 7.816 -0.243 1
1 218 . 9 1 1 A 28 28 ARG HA H 28 4.109 4.156 -0.047 1
1 225 . 9 1 1 A 28 28 ARG C C 28 177.059 175.748 1.311 1
1 226 . 9 1 1 A 28 28 ARG CA C 28 58.740 57.693 1.047 1
1 227 . 9 1 1 A 28 28 ARG CB C 28 30.995 31.614 -0.619 1
1 230 . 9 1 1 A 28 28 ARG N N 28 120.497 120.155 0.342 1
1 231 . 9 1 1 A 29 29 THR H H 29 8.786 7.419 1.367 1
1 232 . 9 1 1 A 29 29 THR HA H 29 4.291 4.454 -0.163 1
1 237 . 9 1 1 A 29 29 THR C C 29 170.391 173.713 -3.322 1
1 238 . 9 1 1 A 29 29 THR CA C 29 59.674 60.627 -0.953 1
1 239 . 9 1 1 A 29 29 THR CB C 29 68.880 71.431 -2.551 1
1 241 . 9 1 1 A 29 29 THR N N 29 114.915 112.046 2.869 1
1 242 . 9 1 1 A 30 30 HIS H H 30 8.292 8.517 -0.225 1
1 243 . 9 1 1 A 30 30 HIS HA H 30 4.420 3.761 0.659 1
1 248 . 9 1 1 A 30 30 HIS C C 30 174.569 174.469 0.100 1
1 249 . 9 1 1 A 30 30 HIS CA C 30 54.798 57.551 -2.753 1
1 250 . 9 1 1 A 30 30 HIS CB C 30 30.629 29.050 1.579 1
1 253 . 9 1 1 A 30 30 HIS N N 30 122.126 125.488 -3.362 1
1 254 . 9 1 1 A 31 31 TYR H H 31 8.179 7.377 0.802 1
1 255 . 9 1 1 A 31 31 TYR HA H 31 4.731 4.960 -0.229 1
1 262 . 9 1 1 A 31 31 TYR C C 31 172.551 172.948 -0.397 1
1 263 . 9 1 1 A 31 31 TYR CA C 31 55.259 55.110 0.149 1
1 264 . 9 1 1 A 31 31 TYR CB C 31 39.362 38.420 0.942 1
1 269 . 9 1 1 A 31 31 TYR N N 31 115.063 117.715 -2.652 1
1 270 . 9 1 1 A 32 32 PRO HA H 32 4.256 4.609 -0.353 1
1 277 . 9 1 1 A 32 32 PRO C C 32 177.388 176.902 0.486 1
1 278 . 9 1 1 A 32 32 PRO CA C 32 62.903 62.469 0.434 1
1 279 . 9 1 1 A 32 32 PRO CB C 32 30.896 31.267 -0.371 1
1 282 . 9 1 1 A 33 33 ASP H H 33 8.457 8.642 -0.185 1
1 283 . 9 1 1 A 33 33 ASP HA H 33 4.495 4.636 -0.141 1
1 286 . 9 1 1 A 33 33 ASP C C 33 175.824 177.541 -1.717 1
1 287 . 9 1 1 A 33 33 ASP CA C 33 52.776 54.497 -1.721 1
1 288 . 9 1 1 A 33 33 ASP CB C 33 41.174 41.897 -0.723 1
1 289 . 9 1 1 A 33 33 ASP N N 33 124.636 122.548 2.088 1
1 290 . 9 1 1 A 34 34 VAL H H 34 8.331 8.500 -0.169 1
1 291 . 9 1 1 A 34 34 VAL HA H 34 3.488 3.788 -0.300 1
1 299 . 9 1 1 A 34 34 VAL C C 34 176.133 177.415 -1.282 1
1 300 . 9 1 1 A 34 34 VAL CA C 34 66.176 65.265 0.911 1
1 301 . 9 1 1 A 34 34 VAL CB C 34 31.401 31.422 -0.021 1
1 304 . 9 1 1 A 34 34 VAL N N 34 117.908 124.337 -6.429 1
1 305 . 9 1 1 A 35 35 PHE H H 35 7.127 7.723 -0.596 1
1 306 . 9 1 1 A 35 35 PHE HA H 35 4.339 4.198 0.141 1
1 314 . 9 1 1 A 35 35 PHE C C 35 178.808 176.916 1.892 1
1 315 . 9 1 1 A 35 35 PHE CA C 35 60.335 61.290 -0.955 1
1 316 . 9 1 1 A 35 35 PHE CB C 35 37.927 37.863 0.064 1
1 322 . 9 1 1 A 35 35 PHE N N 35 120.263 120.256 0.007 1
1 323 . 9 1 1 A 36 36 ALA H H 36 8.428 8.194 0.234 1
1 324 . 9 1 1 A 36 36 ALA HA H 36 4.094 4.424 -0.330 1
1 328 . 9 1 1 A 36 36 ALA C C 36 181.812 179.080 2.732 1
1 329 . 9 1 1 A 36 36 ALA CA C 36 55.062 54.313 0.749 1
1 330 . 9 1 1 A 36 36 ALA CB C 36 18.484 19.604 -1.120 1
1 331 . 9 1 1 A 36 36 ALA N N 36 123.569 122.147 1.422 1
1 332 . 9 1 1 A 37 37 ARG H H 37 8.695 7.918 0.777 1
1 333 . 9 1 1 A 37 37 ARG HA H 37 3.920 4.035 -0.115 1
1 341 . 9 1 1 A 37 37 ARG C C 37 178.232 178.943 -0.711 1
1 342 . 9 1 1 A 37 37 ARG CA C 37 61.034 59.725 1.309 1
1 343 . 9 1 1 A 37 37 ARG CB C 37 31.263 29.924 1.339 1
1 346 . 9 1 1 A 37 37 ARG N N 37 117.907 117.789 0.118 1
1 348 . 9 1 1 A 38 38 GLU H H 38 8.531 8.118 0.413 1
1 349 . 9 1 1 A 38 38 GLU HA H 38 4.051 4.077 -0.026 1
1 354 . 9 1 1 A 38 38 GLU C C 38 179.940 179.372 0.568 1
1 355 . 9 1 1 A 38 38 GLU CA C 38 59.765 59.241 0.524 1
1 356 . 9 1 1 A 38 38 GLU CB C 38 29.456 29.126 0.330 1
1 358 . 9 1 1 A 38 38 GLU N N 38 119.688 119.490 0.198 1
1 359 . 9 1 1 A 39 39 ARG H H 39 8.096 8.062 0.034 1
1 360 . 9 1 1 A 39 39 ARG HA H 39 4.130 4.050 0.080 1
1 366 . 9 1 1 A 39 39 ARG C C 39 179.425 179.042 0.383 1
1 367 . 9 1 1 A 39 39 ARG CA C 39 59.368 58.971 0.397 1
1 368 . 9 1 1 A 39 39 ARG CB C 39 30.300 29.911 0.389 1
1 371 . 9 1 1 A 39 39 ARG N N 39 120.527 120.430 0.097 1
1 372 . 9 1 1 A 40 40 LEU H H 40 7.933 8.230 -0.297 1
1 373 . 9 1 1 A 40 40 LEU HA H 40 4.121 4.067 0.054 1
1 383 . 9 1 1 A 40 40 LEU C C 40 177.861 178.248 -0.387 1
1 384 . 9 1 1 A 40 40 LEU CA C 40 57.807 57.538 0.269 1
1 385 . 9 1 1 A 40 40 LEU CB C 40 42.446 41.432 1.014 1
1 389 . 9 1 1 A 40 40 LEU N N 40 121.371 121.382 -0.011 1
1 390 . 9 1 1 A 41 41 ALA H H 41 8.537 8.395 0.142 1
1 391 . 9 1 1 A 41 41 ALA HA H 41 4.102 4.127 -0.025 1
1 395 . 9 1 1 A 41 41 ALA C C 41 180.372 179.198 1.174 1
1 396 . 9 1 1 A 41 41 ALA CA C 41 56.060 55.430 0.630 1
1 397 . 9 1 1 A 41 41 ALA CB C 41 18.892 18.585 0.307 1
1 398 . 9 1 1 A 41 41 ALA N N 41 121.892 120.447 1.445 1
1 399 . 9 1 1 A 42 42 ALA H H 42 7.400 7.354 0.046 1
1 400 . 9 1 1 A 42 42 ALA HA H 42 4.242 4.177 0.065 1
1 404 . 9 1 1 A 42 42 ALA C C 42 179.631 180.058 -0.427 1
1 405 . 9 1 1 A 42 42 ALA CA C 42 53.951 53.270 0.681 1
1 406 . 9 1 1 A 42 42 ALA CB C 42 18.484 18.953 -0.469 1
1 407 . 9 1 1 A 42 42 ALA N N 42 116.807 119.636 -2.829 1
1 408 . 9 1 1 A 43 43 LYS H H 43 7.781 8.257 -0.476 1
1 409 . 9 1 1 A 43 43 LYS HA H 43 4.229 4.065 0.164 1
1 417 . 9 1 1 A 43 43 LYS C C 43 178.746 177.920 0.826 1
1 418 . 9 1 1 A 43 43 LYS CA C 43 58.710 58.541 0.169 1
1 419 . 9 1 1 A 43 43 LYS CB C 43 33.610 32.597 1.013 1
1 423 . 9 1 1 A 43 43 LYS N N 43 118.433 118.312 0.121 1
1 424 . 9 1 1 A 44 44 ILE H H 44 8.094 7.381 0.713 1
1 425 . 9 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 1
1 435 . 9 1 1 A 44 44 ILE C C 44 175.042 175.305 -0.263 1
1 436 . 9 1 1 A 44 44 ILE CA C 44 60.606 60.019 0.587 1
1 437 . 9 1 1 A 44 44 ILE CB C 44 38.341 38.348 -0.007 1
1 441 . 9 1 1 A 44 44 ILE N N 44 108.112 111.550 -3.438 1
1 442 . 9 1 1 A 45 45 ASP H H 45 7.811 8.180 -0.369 1
1 443 . 9 1 1 A 45 45 ASP HA H 45 4.333 4.235 0.098 1
1 446 . 9 1 1 A 45 45 ASP C C 45 173.848 174.528 -0.680 1
1 447 . 9 1 1 A 45 45 ASP CA C 45 55.065 55.039 0.026 1
1 448 . 9 1 1 A 45 45 ASP CB C 45 39.031 39.669 -0.638 1
1 449 . 9 1 1 A 45 45 ASP N N 45 121.798 121.914 -0.116 1
1 450 . 9 1 1 A 46 46 LEU H H 46 7.550 7.964 -0.414 1
1 451 . 9 1 1 A 46 46 LEU HA H 46 4.990 4.840 0.150 1
1 461 . 9 1 1 A 46 46 LEU C C 46 173.536 174.293 -0.757 1
1 462 . 9 1 1 A 46 46 LEU CA C 46 51.364 51.312 0.052 1
1 463 . 9 1 1 A 46 46 LEU CB C 46 47.443 44.696 2.747 1
1 467 . 9 1 1 A 46 46 LEU N N 46 118.454 118.925 -0.471 1
1 468 . 9 1 1 A 47 47 PRO HA H 47 4.548 4.655 -0.107 1
1 475 . 9 1 1 A 47 47 PRO C C 47 178.417 177.909 0.508 1
1 476 . 9 1 1 A 47 47 PRO CA C 47 62.268 62.806 -0.538 1
1 477 . 9 1 1 A 47 47 PRO CB C 47 32.600 32.313 0.287 1
1 480 . 9 1 1 A 48 48 GLU H H 48 9.253 9.044 0.209 1
1 481 . 9 1 1 A 48 48 GLU HA H 48 3.799 4.036 -0.237 1
1 486 . 9 1 1 A 48 48 GLU C C 48 178.273 178.266 0.007 1
1 487 . 9 1 1 A 48 48 GLU CA C 48 61.083 59.379 1.704 1
1 488 . 9 1 1 A 48 48 GLU CB C 48 28.815 29.492 -0.677 1
1 490 . 9 1 1 A 48 48 GLU N N 48 126.081 124.420 1.661 1
1 491 . 9 1 1 A 49 49 ALA H H 49 8.923 8.036 0.887 1
1 492 . 9 1 1 A 49 49 ALA HA H 49 4.128 4.208 -0.080 1
1 496 . 9 1 1 A 49 49 ALA C C 49 181.277 179.655 1.622 1
1 497 . 9 1 1 A 49 49 ALA CA C 49 55.569 54.660 0.909 1
1 498 . 9 1 1 A 49 49 ALA CB C 49 18.681 18.529 0.152 1
1 499 . 9 1 1 A 49 49 ALA N N 49 119.313 122.510 -3.197 1
1 500 . 9 1 1 A 50 50 ARG H H 50 7.417 8.178 -0.761 1
1 501 . 9 1 1 A 50 50 ARG HA H 50 4.348 4.207 0.141 1
1 508 . 9 1 1 A 50 50 ARG C C 50 179.425 178.618 0.807 1
1 509 . 9 1 1 A 50 50 ARG CA C 50 57.978 59.687 -1.709 1
1 510 . 9 1 1 A 50 50 ARG CB C 50 29.723 30.523 -0.800 1
1 513 . 9 1 1 A 50 50 ARG N N 50 114.567 118.072 -3.505 1
1 514 . 9 1 1 A 51 51 ILE H H 51 7.785 7.954 -0.169 1
1 515 . 9 1 1 A 51 51 ILE HA H 51 3.816 3.736 0.080 1
1 525 . 9 1 1 A 51 51 ILE C C 51 178.088 177.985 0.103 1
1 526 . 9 1 1 A 51 51 ILE CA C 51 65.848 65.267 0.581 1
1 527 . 9 1 1 A 51 51 ILE CB C 51 37.785 37.786 -0.001 1
1 531 . 9 1 1 A 51 51 ILE N N 51 121.669 120.878 0.791 1
1 532 . 9 1 1 A 52 52 GLN H H 52 8.478 8.377 0.101 1
1 533 . 9 1 1 A 52 52 GLN HA H 52 4.423 4.012 0.411 1
1 539 . 9 1 1 A 52 52 GLN C C 52 179.364 178.936 0.428 1
1 540 . 9 1 1 A 52 52 GLN CA C 52 60.232 58.912 1.320 1
1 541 . 9 1 1 A 52 52 GLN CB C 52 28.945 28.313 0.632 1
1 543 . 9 1 1 A 52 52 GLN N N 52 118.943 118.098 0.845 1
1 545 . 9 1 1 A 53 53 VAL H H 53 7.582 7.897 -0.315 1
1 546 . 9 1 1 A 53 53 VAL HA H 53 3.842 3.738 0.104 1
1 554 . 9 1 1 A 53 53 VAL C C 53 177.800 178.135 -0.335 1
1 555 . 9 1 1 A 53 53 VAL CA C 53 66.633 66.837 -0.204 1
1 556 . 9 1 1 A 53 53 VAL CB C 53 32.241 31.800 0.441 1
1 559 . 9 1 1 A 53 53 VAL N N 53 120.375 120.416 -0.041 1
1 560 . 9 1 1 A 54 54 TRP H H 54 8.390 8.438 -0.048 1
1 561 . 9 1 1 A 54 54 TRP HA H 54 4.050 4.292 -0.242 1
1 570 . 9 1 1 A 54 54 TRP C C 54 180.084 178.089 1.995 1
1 571 . 9 1 1 A 54 54 TRP CA C 54 63.229 61.070 2.159 1
1 572 . 9 1 1 A 54 54 TRP CB C 54 28.726 29.589 -0.863 1
1 578 . 9 1 1 A 54 54 TRP N N 54 121.414 121.083 0.331 1
1 580 . 9 1 1 A 55 55 PHE H H 55 9.127 8.382 0.745 1
1 581 . 9 1 1 A 55 55 PHE HA H 55 3.771 4.566 -0.795 1
1 589 . 9 1 1 A 55 55 PHE C C 55 178.170 178.424 -0.254 1
1 590 . 9 1 1 A 55 55 PHE CA C 55 63.826 61.913 1.913 1
1 591 . 9 1 1 A 55 55 PHE CB C 55 39.195 39.007 0.188 1
1 597 . 9 1 1 A 55 55 PHE N N 55 118.358 117.526 0.832 1
1 598 . 9 1 1 A 56 56 SER H H 56 8.267 8.754 -0.487 1
1 599 . 9 1 1 A 56 56 SER HA H 56 4.148 4.146 0.002 1
1 602 . 9 1 1 A 56 56 SER C C 56 178.376 177.386 0.990 1
1 603 . 9 1 1 A 56 56 SER CA C 56 62.578 61.905 0.673 1
1 604 . 9 1 1 A 56 56 SER CB C 56 62.412 63.244 -0.832 1
1 605 . 9 1 1 A 56 56 SER N N 56 115.049 115.595 -0.546 1
1 606 . 9 1 1 A 57 57 ASN H H 57 8.231 8.126 0.105 1
1 607 . 9 1 1 A 57 57 ASN HA H 57 4.411 4.475 -0.064 1
1 612 . 9 1 1 A 57 57 ASN C C 57 177.573 177.568 0.005 1
1 613 . 9 1 1 A 57 57 ASN CA C 57 55.698 55.916 -0.218 1
1 614 . 9 1 1 A 57 57 ASN CB C 57 37.827 37.638 0.189 1
1 615 . 9 1 1 A 57 57 ASN N N 57 120.846 120.204 0.642 1
1 617 . 9 1 1 A 58 58 ARG H H 58 8.531 7.346 1.185 1
1 618 . 9 1 1 A 58 58 ARG HA H 58 3.533 3.448 0.085 1
1 626 . 9 1 1 A 58 58 ARG C C 58 179.919 178.180 1.739 1
1 627 . 9 1 1 A 58 58 ARG CA C 58 56.451 59.267 -2.816 1
1 628 . 9 1 1 A 58 58 ARG CB C 58 27.981 28.983 -1.002 1
1 631 . 9 1 1 A 58 58 ARG N N 58 124.704 120.439 4.265 1
1 633 . 9 1 1 A 59 59 ARG H H 59 8.496 8.157 0.339 1
1 634 . 9 1 1 A 59 59 ARG HA H 59 4.072 4.251 -0.179 1
1 641 . 9 1 1 A 59 59 ARG C C 59 178.520 179.290 -0.770 1
1 642 . 9 1 1 A 59 59 ARG CA C 59 60.970 59.724 1.246 1
1 643 . 9 1 1 A 59 59 ARG CB C 59 31.601 29.916 1.685 1
1 646 . 9 1 1 A 59 59 ARG N N 59 120.108 118.313 1.795 1
1 647 . 9 1 1 A 60 60 ALA H H 60 7.487 7.704 -0.217 1
1 648 . 9 1 1 A 60 60 ALA HA H 60 4.197 4.097 0.100 1
1 652 . 9 1 1 A 60 60 ALA C C 60 180.475 179.082 1.393 1
1 653 . 9 1 1 A 60 60 ALA CA C 60 55.547 55.370 0.177 1
1 654 . 9 1 1 A 60 60 ALA CB C 60 17.635 18.241 -0.606 1
1 655 . 9 1 1 A 60 60 ALA N N 60 121.949 121.791 0.158 1
1 656 . 9 1 1 A 61 61 LYS H H 61 7.733 7.619 0.114 1
1 657 . 9 1 1 A 61 61 LYS HA H 61 3.927 4.015 -0.088 1
1 666 . 9 1 1 A 61 61 LYS C C 61 177.656 178.980 -1.324 1
1 667 . 9 1 1 A 61 61 LYS CA C 61 59.590 59.124 0.466 1
1 668 . 9 1 1 A 61 61 LYS CB C 61 32.903 31.896 1.007 1
1 672 . 9 1 1 A 61 61 LYS N N 61 120.311 118.638 1.673 1
1 673 . 9 1 1 A 62 62 TRP H H 62 8.235 8.271 -0.036 1
1 674 . 9 1 1 A 62 62 TRP HA H 62 4.475 4.296 0.179 1
1 683 . 9 1 1 A 62 62 TRP C C 62 178.088 178.454 -0.366 1
1 684 . 9 1 1 A 62 62 TRP CA C 62 61.043 60.504 0.539 1
1 685 . 9 1 1 A 62 62 TRP CB C 62 29.113 29.531 -0.418 1
1 691 . 9 1 1 A 62 62 TRP N N 62 120.161 121.837 -1.676 1
1 693 . 9 1 1 A 63 63 ARG H H 63 8.579 8.714 -0.135 1
1 694 . 9 1 1 A 63 63 ARG HA H 63 3.762 3.737 0.025 1
1 701 . 9 1 1 A 63 63 ARG C C 63 179.220 178.605 0.615 1
1 702 . 9 1 1 A 63 63 ARG CA C 63 59.644 59.430 0.214 1
1 703 . 9 1 1 A 63 63 ARG CB C 63 30.498 30.347 0.151 1
1 706 . 9 1 1 A 63 63 ARG N N 63 117.951 118.952 -1.001 1
1 707 . 9 1 1 A 64 64 ARG H H 64 7.754 8.271 -0.517 1
1 708 . 9 1 1 A 64 64 ARG HA H 64 4.075 4.003 0.072 1
1 715 . 9 1 1 A 64 64 ARG C C 64 178.643 178.593 0.050 1
1 716 . 9 1 1 A 64 64 ARG CA C 64 59.313 59.061 0.252 1
1 717 . 9 1 1 A 64 64 ARG CB C 64 30.254 30.097 0.157 1
1 720 . 9 1 1 A 64 64 ARG N N 64 119.265 118.346 0.919 1
1 721 . 9 1 1 A 65 65 GLU H H 65 8.134 8.002 0.132 1
1 722 . 9 1 1 A 65 65 GLU HA H 65 3.988 4.009 -0.021 1
1 727 . 9 1 1 A 65 65 GLU C C 65 178.890 178.538 0.352 1
1 728 . 9 1 1 A 65 65 GLU CA C 65 58.891 59.095 -0.204 1
1 729 . 9 1 1 A 65 65 GLU CB C 65 29.228 29.210 0.018 1
1 731 . 9 1 1 A 65 65 GLU N N 65 119.336 119.524 -0.188 1
1 732 . 9 1 1 A 66 66 GLU H H 66 8.212 8.047 0.165 1
1 733 . 9 1 1 A 66 66 GLU HA H 66 3.804 3.753 0.051 1
1 738 . 9 1 1 A 66 66 GLU C C 66 178.273 178.440 -0.167 1
1 739 . 9 1 1 A 66 66 GLU CA C 66 58.714 59.354 -0.640 1
1 740 . 9 1 1 A 66 66 GLU CB C 66 29.493 28.791 0.702 1
1 742 . 9 1 1 A 66 66 GLU N N 66 121.135 120.170 0.965 1
1 743 . 9 1 1 A 67 67 LYS H H 67 7.663 7.158 0.505 1
1 744 . 9 1 1 A 67 67 LYS HA H 67 4.044 4.060 -0.016 1
1 752 . 9 1 1 A 67 67 LYS C C 67 178.787 179.087 -0.300 1
1 753 . 9 1 1 A 67 67 LYS CA C 67 58.801 59.217 -0.416 1
1 754 . 9 1 1 A 67 67 LYS CB C 67 32.239 32.045 0.194 1
1 758 . 9 1 1 A 67 67 LYS N N 67 119.200 119.729 -0.529 1
1 759 . 9 1 1 A 68 68 LEU H H 68 7.631 8.027 -0.396 1
1 760 . 9 1 1 A 68 68 LEU HA H 68 4.155 3.900 0.255 1
1 770 . 9 1 1 A 68 68 LEU C C 68 179.055 179.110 -0.055 1
1 771 . 9 1 1 A 68 68 LEU CA C 68 56.903 57.791 -0.888 1
1 772 . 9 1 1 A 68 68 LEU CB C 68 41.850 41.614 0.236 1
1 776 . 9 1 1 A 68 68 LEU N N 68 118.976 119.693 -0.717 1
1 777 . 9 1 1 A 69 69 ARG H H 69 7.900 8.345 -0.445 1
1 778 . 9 1 1 A 69 69 ARG HA H 69 4.089 3.872 0.217 1
1 785 . 9 1 1 A 69 69 ARG C C 69 177.985 178.185 -0.200 1
1 786 . 9 1 1 A 69 69 ARG CA C 69 58.551 59.216 -0.665 1
1 787 . 9 1 1 A 69 69 ARG CB C 69 30.430 29.965 0.465 1
1 790 . 9 1 1 A 69 69 ARG N N 69 119.387 120.390 -1.003 1
1 791 . 9 1 1 A 70 70 ASN H H 70 8.088 8.299 -0.211 1
1 792 . 9 1 1 A 70 70 ASN HA H 70 4.633 4.425 0.208 1
1 797 . 9 1 1 A 70 70 ASN C C 70 176.194 177.291 -1.097 1
1 798 . 9 1 1 A 70 70 ASN CA C 70 54.463 56.036 -1.573 1
1 799 . 9 1 1 A 70 70 ASN CB C 70 38.805 38.774 0.031 1
1 800 . 9 1 1 A 70 70 ASN N N 70 117.289 117.531 -0.242 1
1 802 . 9 1 1 A 71 71 GLN H H 71 8.017 8.157 -0.140 1
1 803 . 9 1 1 A 71 71 GLN HA H 71 4.263 4.126 0.137 1
1 810 . 9 1 1 A 71 71 GLN C C 71 176.750 176.383 0.367 1
1 811 . 9 1 1 A 71 71 GLN CA C 71 57.031 57.260 -0.229 1
1 812 . 9 1 1 A 71 71 GLN CB C 71 29.122 27.906 1.216 1
1 814 . 9 1 1 A 71 71 GLN N N 71 119.838 115.553 4.285 1
1 816 . 9 1 1 A 72 72 ARG H H 72 8.125 7.846 0.279 1
1 817 . 9 1 1 A 72 72 ARG HA H 72 4.312 4.481 -0.169 1
1 823 . 9 1 1 A 72 72 ARG C C 72 176.729 176.500 0.229 1
1 824 . 9 1 1 A 72 72 ARG CA C 72 56.840 55.398 1.442 1
1 825 . 9 1 1 A 72 72 ARG CB C 72 30.500 30.295 0.205 1
1 828 . 9 1 1 A 72 72 ARG N N 72 120.534 118.605 1.929 1
1 829 . 9 1 1 A 73 73 ARG H H 73 8.148 7.441 0.707 1
1 830 . 9 1 1 A 73 73 ARG HA H 73 4.412 4.186 0.226 1
1 836 . 9 1 1 A 73 73 ARG C C 73 176.552 176.648 -0.096 1
1 837 . 9 1 1 A 73 73 ARG CA C 73 56.445 57.341 -0.896 1
1 838 . 9 1 1 A 73 73 ARG CB C 73 30.676 30.323 0.353 1
1 841 . 9 1 1 A 73 73 ARG N N 73 121.356 119.822 1.534 1
1 842 . 9 1 1 A 74 74 GLN HA H 74 4.334 4.302 0.032 1
1 846 . 9 1 1 A 74 74 GLN CA C 74 56.127 56.779 -0.652 1
1 847 . 9 1 1 A 74 74 GLN CB C 74 29.362 29.184 0.178 1
1 849 . 9 1 1 A 76 76 GLY HA2 H 76 4.168 4.042 0.126 1
1 850 . 9 1 1 A 76 76 GLY HA3 H 76 4.168 4.042 0.126 1
1 851 . 9 1 1 A 76 76 GLY CA C 76 44.736 44.922 -0.186 1
1 852 . 9 1 1 A 77 77 PRO HA H 77 4.502 4.516 -0.014 1
1 859 . 9 1 1 A 77 77 PRO CA C 77 63.330 62.876 0.454 1
1 860 . 9 1 1 A 77 77 PRO CB C 77 32.217 32.521 -0.304 1
1 863 . 9 1 1 A 79 79 SER HA H 79 4.524 4.601 -0.077 1
1 865 . 9 1 1 A 79 79 SER C C 79 173.931 174.913 -0.982 1
1 866 . 9 1 1 A 79 79 SER CA C 79 58.409 57.941 0.468 1
1 867 . 9 1 1 A 79 79 SER CB C 79 64.147 62.639 1.508 1
1 1 . 10 1 1 A 8 8 GLN H H 8 8.925 8.718 0.207 1
1 2 . 10 1 1 A 8 8 GLN HA H 8 4.398 4.818 -0.420 1
1 8 . 10 1 1 A 8 8 GLN CA C 8 56.051 55.255 0.796 1
1 9 . 10 1 1 A 8 8 GLN CB C 8 29.491 29.792 -0.301 1
1 12 . 10 1 1 A 12 12 THR HA H 12 4.352 4.841 -0.489 1
1 17 . 10 1 1 A 12 12 THR CA C 12 61.819 60.892 0.927 1
1 18 . 10 1 1 A 12 12 THR CB C 12 69.783 68.621 1.162 1
1 20 . 10 1 1 A 13 13 SER HA H 13 4.465 4.549 -0.084 1
1 23 . 10 1 1 A 13 13 SER C C 13 173.828 174.528 -0.700 1
1 24 . 10 1 1 A 13 13 SER CA C 13 57.973 60.684 -2.711 1
1 25 . 10 1 1 A 13 13 SER CB C 13 64.246 64.201 0.045 1
1 26 . 10 1 1 A 14 14 PHE H H 14 8.322 8.271 0.051 1
1 27 . 10 1 1 A 14 14 PHE HA H 14 5.035 4.778 0.257 1
1 35 . 10 1 1 A 14 14 PHE C C 14 176.750 175.364 1.386 1
1 36 . 10 1 1 A 14 14 PHE CA C 14 56.624 57.877 -1.253 1
1 37 . 10 1 1 A 14 14 PHE CB C 14 41.174 40.785 0.389 1
1 43 . 10 1 1 A 14 14 PHE N N 14 121.036 117.257 3.779 1
1 44 . 10 1 1 A 15 15 THR H H 15 8.944 8.468 0.476 1
1 45 . 10 1 1 A 15 15 THR HA H 15 4.529 5.064 -0.535 1
1 50 . 10 1 1 A 15 15 THR C C 15 175.433 175.296 0.137 1
1 51 . 10 1 1 A 15 15 THR CA C 15 60.644 59.386 1.258 1
1 52 . 10 1 1 A 15 15 THR CB C 15 70.784 71.801 -1.017 1
1 54 . 10 1 1 A 15 15 THR N N 15 113.618 112.016 1.602 1
1 55 . 10 1 1 A 16 16 GLN H H 16 9.086 8.976 0.110 1
1 56 . 10 1 1 A 16 16 GLN HA H 16 4.016 4.066 -0.050 1
1 63 . 10 1 1 A 16 16 GLN C C 16 178.149 177.445 0.704 1
1 64 . 10 1 1 A 16 16 GLN CA C 16 59.283 59.110 0.173 1
1 65 . 10 1 1 A 16 16 GLN CB C 16 27.943 28.863 -0.920 1
1 67 . 10 1 1 A 16 16 GLN N N 16 121.415 121.354 0.061 1
1 69 . 10 1 1 A 17 17 GLU H H 17 8.837 8.620 0.217 1
1 70 . 10 1 1 A 17 17 GLU HA H 17 4.048 4.088 -0.040 1
1 75 . 10 1 1 A 17 17 GLU C C 17 180.248 178.916 1.332 1
1 76 . 10 1 1 A 17 17 GLU CA C 17 60.156 59.486 0.670 1
1 77 . 10 1 1 A 17 17 GLU CB C 17 29.125 29.130 -0.005 1
1 79 . 10 1 1 A 17 17 GLU N N 17 117.930 119.066 -1.136 1
1 80 . 10 1 1 A 18 18 GLN H H 18 7.738 8.239 -0.501 1
1 81 . 10 1 1 A 18 18 GLN HA H 18 3.809 4.216 -0.407 1
1 88 . 10 1 1 A 18 18 GLN C C 18 177.079 178.375 -1.296 1
1 89 . 10 1 1 A 18 18 GLN CA C 18 59.358 57.977 1.381 1
1 90 . 10 1 1 A 18 18 GLN CB C 18 27.338 29.232 -1.894 1
1 92 . 10 1 1 A 18 18 GLN N N 18 119.421 118.972 0.449 1
1 94 . 10 1 1 A 19 19 ILE H H 19 8.265 8.404 -0.139 1
1 95 . 10 1 1 A 19 19 ILE HA H 19 3.240 3.423 -0.183 1
1 105 . 10 1 1 A 19 19 ILE C C 19 177.409 177.774 -0.365 1
1 106 . 10 1 1 A 19 19 ILE CA C 19 64.693 65.289 -0.596 1
1 107 . 10 1 1 A 19 19 ILE CB C 19 37.544 37.414 0.130 1
1 111 . 10 1 1 A 19 19 ILE N N 19 118.326 121.452 -3.126 1
1 112 . 10 1 1 A 20 20 GLU H H 20 8.304 8.623 -0.319 1
1 113 . 10 1 1 A 20 20 GLU HA H 20 3.916 4.027 -0.111 1
1 118 . 10 1 1 A 20 20 GLU C C 20 179.281 178.161 1.120 1
1 119 . 10 1 1 A 20 20 GLU CA C 20 59.674 59.121 0.553 1
1 120 . 10 1 1 A 20 20 GLU CB C 20 29.369 29.226 0.143 1
1 122 . 10 1 1 A 20 20 GLU N N 20 117.948 120.122 -2.174 1
1 123 . 10 1 1 A 21 21 ALA H H 21 7.335 7.865 -0.530 1
1 124 . 10 1 1 A 21 21 ALA HA H 21 4.095 4.128 -0.033 1
1 128 . 10 1 1 A 21 21 ALA C C 21 180.825 179.636 1.189 1
1 129 . 10 1 1 A 21 21 ALA CA C 21 54.885 53.893 0.992 1
1 130 . 10 1 1 A 21 21 ALA CB C 21 19.190 18.535 0.655 1
1 131 . 10 1 1 A 21 21 ALA N N 21 120.460 122.044 -1.584 1
1 132 . 10 1 1 A 22 22 LEU H H 22 8.100 8.095 0.005 1
1 133 . 10 1 1 A 22 22 LEU HA H 22 3.490 3.839 -0.349 1
1 143 . 10 1 1 A 22 22 LEU C C 22 177.861 178.716 -0.855 1
1 144 . 10 1 1 A 22 22 LEU CA C 22 58.530 56.913 1.617 1
1 145 . 10 1 1 A 22 22 LEU CB C 22 37.691 40.541 -2.850 1
1 149 . 10 1 1 A 22 22 LEU N N 22 122.412 119.257 3.155 1
1 150 . 10 1 1 A 23 23 GLU H H 23 8.534 8.266 0.268 1
1 151 . 10 1 1 A 23 23 GLU HA H 23 4.360 4.207 0.153 1
1 156 . 10 1 1 A 23 23 GLU C C 23 180.413 179.392 1.021 1
1 157 . 10 1 1 A 23 23 GLU CA C 23 59.072 59.606 -0.534 1
1 158 . 10 1 1 A 23 23 GLU CB C 23 28.905 29.844 -0.939 1
1 160 . 10 1 1 A 23 23 GLU N N 23 118.309 120.048 -1.739 1
1 161 . 10 1 1 A 24 24 LYS H H 24 7.898 7.747 0.151 1
1 162 . 10 1 1 A 24 24 LYS HA H 24 4.170 4.195 -0.025 1
1 170 . 10 1 1 A 24 24 LYS C C 24 179.672 178.947 0.725 1
1 171 . 10 1 1 A 24 24 LYS CA C 24 59.144 60.320 -1.176 1
1 172 . 10 1 1 A 24 24 LYS CB C 24 32.082 32.615 -0.533 1
1 176 . 10 1 1 A 24 24 LYS N N 24 119.449 121.071 -1.622 1
1 177 . 10 1 1 A 25 25 GLU H H 25 7.887 7.772 0.115 1
1 178 . 10 1 1 A 25 25 GLU HA H 25 4.596 4.157 0.439 1
1 183 . 10 1 1 A 25 25 GLU C C 25 177.923 179.355 -1.432 1
1 184 . 10 1 1 A 25 25 GLU CA C 25 58.799 59.363 -0.564 1
1 185 . 10 1 1 A 25 25 GLU CB C 25 28.787 29.439 -0.652 1
1 187 . 10 1 1 A 25 25 GLU N N 25 121.941 119.067 2.874 1
1 188 . 10 1 1 A 26 26 PHE H H 26 8.843 8.394 0.449 1
1 189 . 10 1 1 A 26 26 PHE HA H 26 4.865 4.550 0.315 1
1 197 . 10 1 1 A 26 26 PHE C C 26 176.380 177.872 -1.492 1
1 198 . 10 1 1 A 26 26 PHE CA C 26 60.798 60.776 0.022 1
1 199 . 10 1 1 A 26 26 PHE CB C 26 38.969 39.098 -0.129 1
1 205 . 10 1 1 A 26 26 PHE N N 26 121.919 120.714 1.205 1
1 206 . 10 1 1 A 27 27 GLU H H 27 7.839 8.610 -0.771 1
1 207 . 10 1 1 A 27 27 GLU HA H 27 3.952 4.077 -0.125 1
1 212 . 10 1 1 A 27 27 GLU C C 27 178.335 178.626 -0.291 1
1 213 . 10 1 1 A 27 27 GLU CA C 27 58.650 60.337 -1.687 1
1 214 . 10 1 1 A 27 27 GLU CB C 27 29.772 29.435 0.337 1
1 216 . 10 1 1 A 27 27 GLU N N 27 115.144 117.648 -2.504 1
1 217 . 10 1 1 A 28 28 ARG H H 28 7.573 7.379 0.194 1
1 218 . 10 1 1 A 28 28 ARG HA H 28 4.109 4.184 -0.075 1
1 225 . 10 1 1 A 28 28 ARG C C 28 177.059 175.863 1.196 1
1 226 . 10 1 1 A 28 28 ARG CA C 28 58.740 58.214 0.526 1
1 227 . 10 1 1 A 28 28 ARG CB C 28 30.995 31.757 -0.762 1
1 230 . 10 1 1 A 28 28 ARG N N 28 120.497 119.090 1.407 1
1 231 . 10 1 1 A 29 29 THR H H 29 8.786 7.729 1.057 1
1 232 . 10 1 1 A 29 29 THR HA H 29 4.291 4.519 -0.228 1
1 237 . 10 1 1 A 29 29 THR C C 29 170.391 173.873 -3.482 1
1 238 . 10 1 1 A 29 29 THR CA C 29 59.674 60.451 -0.777 1
1 239 . 10 1 1 A 29 29 THR CB C 29 68.880 71.446 -2.566 1
1 241 . 10 1 1 A 29 29 THR N N 29 114.915 111.784 3.131 1
1 242 . 10 1 1 A 30 30 HIS H H 30 8.292 8.571 -0.279 1
1 243 . 10 1 1 A 30 30 HIS HA H 30 4.420 3.279 1.141 1
1 248 . 10 1 1 A 30 30 HIS C C 30 174.569 174.306 0.263 1
1 249 . 10 1 1 A 30 30 HIS CA C 30 54.798 57.351 -2.553 1
1 250 . 10 1 1 A 30 30 HIS CB C 30 30.629 28.977 1.652 1
1 253 . 10 1 1 A 30 30 HIS N N 30 122.126 125.182 -3.056 1
1 254 . 10 1 1 A 31 31 TYR H H 31 8.179 7.268 0.911 1
1 255 . 10 1 1 A 31 31 TYR HA H 31 4.731 4.905 -0.174 1
1 262 . 10 1 1 A 31 31 TYR C C 31 172.551 173.158 -0.607 1
1 263 . 10 1 1 A 31 31 TYR CA C 31 55.259 54.918 0.341 1
1 264 . 10 1 1 A 31 31 TYR CB C 31 39.362 38.364 0.998 1
1 269 . 10 1 1 A 31 31 TYR N N 31 115.063 117.732 -2.669 1
1 270 . 10 1 1 A 32 32 PRO HA H 32 4.256 4.642 -0.386 1
1 277 . 10 1 1 A 32 32 PRO C C 32 177.388 176.888 0.500 1
1 278 . 10 1 1 A 32 32 PRO CA C 32 62.903 62.406 0.497 1
1 279 . 10 1 1 A 32 32 PRO CB C 32 30.896 30.933 -0.037 1
1 282 . 10 1 1 A 33 33 ASP H H 33 8.457 8.656 -0.199 1
1 283 . 10 1 1 A 33 33 ASP HA H 33 4.495 4.613 -0.118 1
1 286 . 10 1 1 A 33 33 ASP C C 33 175.824 177.545 -1.721 1
1 287 . 10 1 1 A 33 33 ASP CA C 33 52.776 54.451 -1.675 1
1 288 . 10 1 1 A 33 33 ASP CB C 33 41.174 41.932 -0.758 1
1 289 . 10 1 1 A 33 33 ASP N N 33 124.636 122.390 2.246 1
1 290 . 10 1 1 A 34 34 VAL H H 34 8.331 8.471 -0.140 1
1 291 . 10 1 1 A 34 34 VAL HA H 34 3.488 3.738 -0.250 1
1 299 . 10 1 1 A 34 34 VAL C C 34 176.133 177.304 -1.171 1
1 300 . 10 1 1 A 34 34 VAL CA C 34 66.176 65.362 0.814 1
1 301 . 10 1 1 A 34 34 VAL CB C 34 31.401 31.470 -0.069 1
1 304 . 10 1 1 A 34 34 VAL N N 34 117.908 123.822 -5.914 1
1 305 . 10 1 1 A 35 35 PHE H H 35 7.127 7.939 -0.812 1
1 306 . 10 1 1 A 35 35 PHE HA H 35 4.339 4.215 0.124 1
1 314 . 10 1 1 A 35 35 PHE C C 35 178.808 177.306 1.502 1
1 315 . 10 1 1 A 35 35 PHE CA C 35 60.335 61.239 -0.904 1
1 316 . 10 1 1 A 35 35 PHE CB C 35 37.927 38.052 -0.125 1
1 322 . 10 1 1 A 35 35 PHE N N 35 120.263 120.395 -0.132 1
1 323 . 10 1 1 A 36 36 ALA H H 36 8.428 8.233 0.195 1
1 324 . 10 1 1 A 36 36 ALA HA H 36 4.094 4.370 -0.276 1
1 328 . 10 1 1 A 36 36 ALA C C 36 181.812 179.069 2.743 1
1 329 . 10 1 1 A 36 36 ALA CA C 36 55.062 54.363 0.699 1
1 330 . 10 1 1 A 36 36 ALA CB C 36 18.484 19.309 -0.825 1
1 331 . 10 1 1 A 36 36 ALA N N 36 123.569 121.830 1.739 1
1 332 . 10 1 1 A 37 37 ARG H H 37 8.695 8.153 0.542 1
1 333 . 10 1 1 A 37 37 ARG HA H 37 3.920 4.066 -0.146 1
1 341 . 10 1 1 A 37 37 ARG C C 37 178.232 178.863 -0.631 1
1 342 . 10 1 1 A 37 37 ARG CA C 37 61.034 59.835 1.199 1
1 343 . 10 1 1 A 37 37 ARG CB C 37 31.263 29.858 1.405 1
1 346 . 10 1 1 A 37 37 ARG N N 37 117.907 117.391 0.516 1
1 348 . 10 1 1 A 38 38 GLU H H 38 8.531 8.426 0.105 1
1 349 . 10 1 1 A 38 38 GLU HA H 38 4.051 4.069 -0.018 1
1 354 . 10 1 1 A 38 38 GLU C C 38 179.940 179.374 0.566 1
1 355 . 10 1 1 A 38 38 GLU CA C 38 59.765 59.248 0.517 1
1 356 . 10 1 1 A 38 38 GLU CB C 38 29.456 29.081 0.375 1
1 358 . 10 1 1 A 38 38 GLU N N 38 119.688 119.638 0.050 1
1 359 . 10 1 1 A 39 39 ARG H H 39 8.096 8.066 0.030 1
1 360 . 10 1 1 A 39 39 ARG HA H 39 4.130 4.061 0.069 1
1 366 . 10 1 1 A 39 39 ARG C C 39 179.425 178.798 0.627 1
1 367 . 10 1 1 A 39 39 ARG CA C 39 59.368 58.990 0.378 1
1 368 . 10 1 1 A 39 39 ARG CB C 39 30.300 29.878 0.422 1
1 371 . 10 1 1 A 39 39 ARG N N 39 120.527 120.434 0.093 1
1 372 . 10 1 1 A 40 40 LEU H H 40 7.933 8.122 -0.189 1
1 373 . 10 1 1 A 40 40 LEU HA H 40 4.121 4.088 0.033 1
1 383 . 10 1 1 A 40 40 LEU C C 40 177.861 178.344 -0.483 1
1 384 . 10 1 1 A 40 40 LEU CA C 40 57.807 57.618 0.189 1
1 385 . 10 1 1 A 40 40 LEU CB C 40 42.446 41.278 1.168 1
1 389 . 10 1 1 A 40 40 LEU N N 40 121.371 121.537 -0.166 1
1 390 . 10 1 1 A 41 41 ALA H H 41 8.537 8.386 0.151 1
1 391 . 10 1 1 A 41 41 ALA HA H 41 4.102 4.130 -0.028 1
1 395 . 10 1 1 A 41 41 ALA C C 41 180.372 179.010 1.362 1
1 396 . 10 1 1 A 41 41 ALA CA C 41 56.060 55.386 0.674 1
1 397 . 10 1 1 A 41 41 ALA CB C 41 18.892 18.258 0.634 1
1 398 . 10 1 1 A 41 41 ALA N N 41 121.892 120.589 1.303 1
1 399 . 10 1 1 A 42 42 ALA H H 42 7.400 7.243 0.157 1
1 400 . 10 1 1 A 42 42 ALA HA H 42 4.242 4.216 0.026 1
1 404 . 10 1 1 A 42 42 ALA C C 42 179.631 180.172 -0.541 1
1 405 . 10 1 1 A 42 42 ALA CA C 42 53.951 53.254 0.697 1
1 406 . 10 1 1 A 42 42 ALA CB C 42 18.484 19.098 -0.614 1
1 407 . 10 1 1 A 42 42 ALA N N 42 116.807 119.364 -2.557 1
1 408 . 10 1 1 A 43 43 LYS H H 43 7.781 8.269 -0.488 1
1 409 . 10 1 1 A 43 43 LYS HA H 43 4.229 4.085 0.144 1
1 417 . 10 1 1 A 43 43 LYS C C 43 178.746 177.984 0.762 1
1 418 . 10 1 1 A 43 43 LYS CA C 43 58.710 58.787 -0.077 1
1 419 . 10 1 1 A 43 43 LYS CB C 43 33.610 32.757 0.853 1
1 423 . 10 1 1 A 43 43 LYS N N 43 118.433 118.123 0.310 1
1 424 . 10 1 1 A 44 44 ILE H H 44 8.094 7.732 0.362 1
1 425 . 10 1 1 A 44 44 ILE HA H 44 4.655 4.328 0.327 1
1 435 . 10 1 1 A 44 44 ILE C C 44 175.042 175.487 -0.445 1
1 436 . 10 1 1 A 44 44 ILE CA C 44 60.606 60.224 0.382 1
1 437 . 10 1 1 A 44 44 ILE CB C 44 38.341 38.681 -0.340 1
1 441 . 10 1 1 A 44 44 ILE N N 44 108.112 111.260 -3.148 1
1 442 . 10 1 1 A 45 45 ASP H H 45 7.811 8.214 -0.403 1
1 443 . 10 1 1 A 45 45 ASP HA H 45 4.333 4.330 0.003 1
1 446 . 10 1 1 A 45 45 ASP C C 45 173.848 174.574 -0.726 1
1 447 . 10 1 1 A 45 45 ASP CA C 45 55.065 55.146 -0.081 1
1 448 . 10 1 1 A 45 45 ASP CB C 45 39.031 39.641 -0.610 1
1 449 . 10 1 1 A 45 45 ASP N N 45 121.798 121.986 -0.188 1
1 450 . 10 1 1 A 46 46 LEU H H 46 7.550 7.561 -0.011 1
1 451 . 10 1 1 A 46 46 LEU HA H 46 4.990 4.826 0.164 1
1 461 . 10 1 1 A 46 46 LEU C C 46 173.536 174.469 -0.933 1
1 462 . 10 1 1 A 46 46 LEU CA C 46 51.364 51.344 0.020 1
1 463 . 10 1 1 A 46 46 LEU CB C 46 47.443 44.670 2.773 1
1 467 . 10 1 1 A 46 46 LEU N N 46 118.454 119.174 -0.720 1
1 468 . 10 1 1 A 47 47 PRO HA H 47 4.548 4.700 -0.152 1
1 475 . 10 1 1 A 47 47 PRO C C 47 178.417 177.861 0.556 1
1 476 . 10 1 1 A 47 47 PRO CA C 47 62.268 62.863 -0.595 1
1 477 . 10 1 1 A 47 47 PRO CB C 47 32.600 32.014 0.586 1
1 480 . 10 1 1 A 48 48 GLU H H 48 9.253 9.060 0.193 1
1 481 . 10 1 1 A 48 48 GLU HA H 48 3.799 4.041 -0.242 1
1 486 . 10 1 1 A 48 48 GLU C C 48 178.273 178.210 0.063 1
1 487 . 10 1 1 A 48 48 GLU CA C 48 61.083 59.558 1.525 1
1 488 . 10 1 1 A 48 48 GLU CB C 48 28.815 29.368 -0.553 1
1 490 . 10 1 1 A 48 48 GLU N N 48 126.081 124.577 1.504 1
1 491 . 10 1 1 A 49 49 ALA H H 49 8.923 8.253 0.670 1
1 492 . 10 1 1 A 49 49 ALA HA H 49 4.128 4.096 0.032 1
1 496 . 10 1 1 A 49 49 ALA C C 49 181.277 179.431 1.846 1
1 497 . 10 1 1 A 49 49 ALA CA C 49 55.569 55.171 0.398 1
1 498 . 10 1 1 A 49 49 ALA CB C 49 18.681 18.373 0.308 1
1 499 . 10 1 1 A 49 49 ALA N N 49 119.313 122.313 -3.000 1
1 500 . 10 1 1 A 50 50 ARG H H 50 7.417 8.216 -0.799 1
1 501 . 10 1 1 A 50 50 ARG HA H 50 4.348 4.173 0.175 1
1 508 . 10 1 1 A 50 50 ARG C C 50 179.425 178.693 0.732 1
1 509 . 10 1 1 A 50 50 ARG CA C 50 57.978 59.676 -1.698 1
1 510 . 10 1 1 A 50 50 ARG CB C 50 29.723 30.144 -0.421 1
1 513 . 10 1 1 A 50 50 ARG N N 50 114.567 117.872 -3.305 1
1 514 . 10 1 1 A 51 51 ILE H H 51 7.785 7.967 -0.182 1
1 515 . 10 1 1 A 51 51 ILE HA H 51 3.816 3.885 -0.069 1
1 525 . 10 1 1 A 51 51 ILE C C 51 178.088 178.183 -0.095 1
1 526 . 10 1 1 A 51 51 ILE CA C 51 65.848 65.436 0.412 1
1 527 . 10 1 1 A 51 51 ILE CB C 51 37.785 37.746 0.039 1
1 531 . 10 1 1 A 51 51 ILE N N 51 121.669 121.059 0.610 1
1 532 . 10 1 1 A 52 52 GLN H H 52 8.478 7.696 0.782 1
1 533 . 10 1 1 A 52 52 GLN HA H 52 4.423 4.024 0.399 1
1 539 . 10 1 1 A 52 52 GLN C C 52 179.364 178.853 0.511 1
1 540 . 10 1 1 A 52 52 GLN CA C 52 60.232 58.864 1.368 1
1 541 . 10 1 1 A 52 52 GLN CB C 52 28.945 28.363 0.582 1
1 543 . 10 1 1 A 52 52 GLN N N 52 118.943 118.359 0.584 1
1 545 . 10 1 1 A 53 53 VAL H H 53 7.582 8.056 -0.474 1
1 546 . 10 1 1 A 53 53 VAL HA H 53 3.842 3.733 0.109 1
1 554 . 10 1 1 A 53 53 VAL C C 53 177.800 178.224 -0.424 1
1 555 . 10 1 1 A 53 53 VAL CA C 53 66.633 66.917 -0.284 1
1 556 . 10 1 1 A 53 53 VAL CB C 53 32.241 31.763 0.478 1
1 559 . 10 1 1 A 53 53 VAL N N 53 120.375 120.246 0.129 1
1 560 . 10 1 1 A 54 54 TRP H H 54 8.390 8.448 -0.058 1
1 561 . 10 1 1 A 54 54 TRP HA H 54 4.050 4.034 0.016 1
1 570 . 10 1 1 A 54 54 TRP C C 54 180.084 178.405 1.679 1
1 571 . 10 1 1 A 54 54 TRP CA C 54 63.229 60.881 2.348 1
1 572 . 10 1 1 A 54 54 TRP CB C 54 28.726 29.509 -0.783 1
1 578 . 10 1 1 A 54 54 TRP N N 54 121.414 121.265 0.149 1
1 580 . 10 1 1 A 55 55 PHE H H 55 9.127 8.324 0.803 1
1 581 . 10 1 1 A 55 55 PHE HA H 55 3.771 4.500 -0.729 1
1 589 . 10 1 1 A 55 55 PHE C C 55 178.170 178.241 -0.071 1
1 590 . 10 1 1 A 55 55 PHE CA C 55 63.826 62.007 1.819 1
1 591 . 10 1 1 A 55 55 PHE CB C 55 39.195 38.618 0.577 1
1 597 . 10 1 1 A 55 55 PHE N N 55 118.358 117.763 0.595 1
1 598 . 10 1 1 A 56 56 SER H H 56 8.267 8.526 -0.259 1
1 599 . 10 1 1 A 56 56 SER HA H 56 4.148 4.204 -0.056 1
1 602 . 10 1 1 A 56 56 SER C C 56 178.376 176.769 1.607 1
1 603 . 10 1 1 A 56 56 SER CA C 56 62.578 62.159 0.419 1
1 604 . 10 1 1 A 56 56 SER CB C 56 62.412 62.743 -0.331 1
1 605 . 10 1 1 A 56 56 SER N N 56 115.049 115.787 -0.738 1
1 606 . 10 1 1 A 57 57 ASN H H 57 8.231 8.244 -0.013 1
1 607 . 10 1 1 A 57 57 ASN HA H 57 4.411 4.393 0.018 1
1 612 . 10 1 1 A 57 57 ASN C C 57 177.573 178.055 -0.482 1
1 613 . 10 1 1 A 57 57 ASN CA C 57 55.698 56.507 -0.809 1
1 614 . 10 1 1 A 57 57 ASN CB C 57 37.827 37.626 0.201 1
1 615 . 10 1 1 A 57 57 ASN N N 57 120.846 120.683 0.163 1
1 617 . 10 1 1 A 58 58 ARG H H 58 8.531 7.522 1.009 1
1 618 . 10 1 1 A 58 58 ARG HA H 58 3.533 3.565 -0.032 1
1 626 . 10 1 1 A 58 58 ARG C C 58 179.919 179.019 0.900 1
1 627 . 10 1 1 A 58 58 ARG CA C 58 56.451 59.640 -3.189 1
1 628 . 10 1 1 A 58 58 ARG CB C 58 27.981 29.533 -1.552 1
1 631 . 10 1 1 A 58 58 ARG N N 58 124.704 119.360 5.344 1
1 633 . 10 1 1 A 59 59 ARG H H 59 8.496 8.222 0.274 1
1 634 . 10 1 1 A 59 59 ARG HA H 59 4.072 4.219 -0.147 1
1 641 . 10 1 1 A 59 59 ARG C C 59 178.520 179.177 -0.657 1
1 642 . 10 1 1 A 59 59 ARG CA C 59 60.970 59.690 1.280 1
1 643 . 10 1 1 A 59 59 ARG CB C 59 31.601 30.008 1.593 1
1 646 . 10 1 1 A 59 59 ARG N N 59 120.108 119.769 0.339 1
1 647 . 10 1 1 A 60 60 ALA H H 60 7.487 7.891 -0.404 1
1 648 . 10 1 1 A 60 60 ALA HA H 60 4.197 4.127 0.070 1
1 652 . 10 1 1 A 60 60 ALA C C 60 180.475 179.549 0.926 1
1 653 . 10 1 1 A 60 60 ALA CA C 60 55.547 54.992 0.555 1
1 654 . 10 1 1 A 60 60 ALA CB C 60 17.635 18.325 -0.690 1
1 655 . 10 1 1 A 60 60 ALA N N 60 121.949 121.867 0.082 1
1 656 . 10 1 1 A 61 61 LYS H H 61 7.733 7.962 -0.229 1
1 657 . 10 1 1 A 61 61 LYS HA H 61 3.927 4.014 -0.087 1
1 666 . 10 1 1 A 61 61 LYS C C 61 177.656 178.893 -1.237 1
1 667 . 10 1 1 A 61 61 LYS CA C 61 59.590 58.848 0.742 1
1 668 . 10 1 1 A 61 61 LYS CB C 61 32.903 31.780 1.123 1
1 672 . 10 1 1 A 61 61 LYS N N 61 120.311 118.295 2.016 1
1 673 . 10 1 1 A 62 62 TRP H H 62 8.235 8.440 -0.205 1
1 674 . 10 1 1 A 62 62 TRP HA H 62 4.475 4.201 0.274 1
1 683 . 10 1 1 A 62 62 TRP C C 62 178.088 178.300 -0.212 1
1 684 . 10 1 1 A 62 62 TRP CA C 62 61.043 60.309 0.734 1
1 685 . 10 1 1 A 62 62 TRP CB C 62 29.113 29.430 -0.317 1
1 691 . 10 1 1 A 62 62 TRP N N 62 120.161 122.016 -1.855 1
1 693 . 10 1 1 A 63 63 ARG H H 63 8.579 8.757 -0.178 1
1 694 . 10 1 1 A 63 63 ARG HA H 63 3.762 3.772 -0.010 1
1 701 . 10 1 1 A 63 63 ARG C C 63 179.220 178.625 0.595 1
1 702 . 10 1 1 A 63 63 ARG CA C 63 59.644 59.366 0.278 1
1 703 . 10 1 1 A 63 63 ARG CB C 63 30.498 30.116 0.382 1
1 706 . 10 1 1 A 63 63 ARG N N 63 117.951 119.021 -1.070 1
1 707 . 10 1 1 A 64 64 ARG H H 64 7.754 7.920 -0.166 1
1 708 . 10 1 1 A 64 64 ARG HA H 64 4.075 4.019 0.056 1
1 715 . 10 1 1 A 64 64 ARG C C 64 178.643 178.601 0.042 1
1 716 . 10 1 1 A 64 64 ARG CA C 64 59.313 59.090 0.223 1
1 717 . 10 1 1 A 64 64 ARG CB C 64 30.254 29.823 0.431 1
1 720 . 10 1 1 A 64 64 ARG N N 64 119.265 118.707 0.558 1
1 721 . 10 1 1 A 65 65 GLU H H 65 8.134 7.944 0.190 1
1 722 . 10 1 1 A 65 65 GLU HA H 65 3.988 4.007 -0.019 1
1 727 . 10 1 1 A 65 65 GLU C C 65 178.890 178.582 0.308 1
1 728 . 10 1 1 A 65 65 GLU CA C 65 58.891 59.111 -0.220 1
1 729 . 10 1 1 A 65 65 GLU CB C 65 29.228 29.304 -0.076 1
1 731 . 10 1 1 A 65 65 GLU N N 65 119.336 119.467 -0.131 1
1 732 . 10 1 1 A 66 66 GLU H H 66 8.212 8.015 0.197 1
1 733 . 10 1 1 A 66 66 GLU HA H 66 3.804 3.724 0.080 1
1 738 . 10 1 1 A 66 66 GLU C C 66 178.273 178.602 -0.329 1
1 739 . 10 1 1 A 66 66 GLU CA C 66 58.714 59.410 -0.696 1
1 740 . 10 1 1 A 66 66 GLU CB C 66 29.493 28.899 0.594 1
1 742 . 10 1 1 A 66 66 GLU N N 66 121.135 119.943 1.192 1
1 743 . 10 1 1 A 67 67 LYS H H 67 7.663 7.674 -0.011 1
1 744 . 10 1 1 A 67 67 LYS HA H 67 4.044 4.001 0.043 1
1 752 . 10 1 1 A 67 67 LYS C C 67 178.787 178.829 -0.042 1
1 753 . 10 1 1 A 67 67 LYS CA C 67 58.801 59.209 -0.408 1
1 754 . 10 1 1 A 67 67 LYS CB C 67 32.239 31.903 0.336 1
1 758 . 10 1 1 A 67 67 LYS N N 67 119.200 119.617 -0.417 1
1 759 . 10 1 1 A 68 68 LEU H H 68 7.631 7.880 -0.249 1
1 760 . 10 1 1 A 68 68 LEU HA H 68 4.155 3.868 0.287 1
1 770 . 10 1 1 A 68 68 LEU C C 68 179.055 179.461 -0.406 1
1 771 . 10 1 1 A 68 68 LEU CA C 68 56.903 57.814 -0.911 1
1 772 . 10 1 1 A 68 68 LEU CB C 68 41.850 41.547 0.303 1
1 776 . 10 1 1 A 68 68 LEU N N 68 118.976 119.812 -0.836 1
1 777 . 10 1 1 A 69 69 ARG H H 69 7.900 8.504 -0.604 1
1 778 . 10 1 1 A 69 69 ARG HA H 69 4.089 4.053 0.036 1
1 785 . 10 1 1 A 69 69 ARG C C 69 177.985 178.895 -0.910 1
1 786 . 10 1 1 A 69 69 ARG CA C 69 58.551 59.200 -0.649 1
1 787 . 10 1 1 A 69 69 ARG CB C 69 30.430 30.288 0.142 1
1 790 . 10 1 1 A 69 69 ARG N N 69 119.387 119.403 -0.016 1
1 791 . 10 1 1 A 70 70 ASN H H 70 8.088 8.329 -0.241 1
1 792 . 10 1 1 A 70 70 ASN HA H 70 4.633 4.384 0.249 1
1 797 . 10 1 1 A 70 70 ASN C C 70 176.194 177.457 -1.263 1
1 798 . 10 1 1 A 70 70 ASN CA C 70 54.463 56.591 -2.128 1
1 799 . 10 1 1 A 70 70 ASN CB C 70 38.805 39.374 -0.569 1
1 800 . 10 1 1 A 70 70 ASN N N 70 117.289 118.037 -0.748 1
1 802 . 10 1 1 A 71 71 GLN H H 71 8.017 7.926 0.091 1
1 803 . 10 1 1 A 71 71 GLN HA H 71 4.263 3.999 0.264 1
1 810 . 10 1 1 A 71 71 GLN C C 71 176.750 178.702 -1.952 1
1 811 . 10 1 1 A 71 71 GLN CA C 71 57.031 58.926 -1.895 1
1 812 . 10 1 1 A 71 71 GLN CB C 71 29.122 28.419 0.703 1
1 814 . 10 1 1 A 71 71 GLN N N 71 119.838 117.819 2.019 1
1 816 . 10 1 1 A 72 72 ARG H H 72 8.125 7.842 0.283 1
1 817 . 10 1 1 A 72 72 ARG HA H 72 4.312 3.981 0.331 1
1 823 . 10 1 1 A 72 72 ARG C C 72 176.729 177.579 -0.850 1
1 824 . 10 1 1 A 72 72 ARG CA C 72 56.840 59.213 -2.373 1
1 825 . 10 1 1 A 72 72 ARG CB C 72 30.500 29.761 0.739 1
1 828 . 10 1 1 A 72 72 ARG N N 72 120.534 120.052 0.482 1
1 829 . 10 1 1 A 73 73 ARG H H 73 8.148 7.333 0.815 1
1 830 . 10 1 1 A 73 73 ARG HA H 73 4.412 4.075 0.337 1
1 836 . 10 1 1 A 73 73 ARG C C 73 176.552 175.748 0.804 1
1 837 . 10 1 1 A 73 73 ARG CA C 73 56.445 56.672 -0.227 1
1 838 . 10 1 1 A 73 73 ARG CB C 73 30.676 30.738 -0.062 1
1 841 . 10 1 1 A 73 73 ARG N N 73 121.356 119.846 1.510 1
1 842 . 10 1 1 A 74 74 GLN HA H 74 4.334 4.175 0.159 1
1 846 . 10 1 1 A 74 74 GLN CA C 74 56.127 56.370 -0.243 1
1 847 . 10 1 1 A 74 74 GLN CB C 74 29.362 28.805 0.557 1
1 849 . 10 1 1 A 76 76 GLY HA2 H 76 4.168 3.819 0.349 1
1 850 . 10 1 1 A 76 76 GLY HA3 H 76 4.168 3.820 0.348 1
1 851 . 10 1 1 A 76 76 GLY CA C 76 44.736 47.780 -3.044 1
1 852 . 10 1 1 A 77 77 PRO HA H 77 4.502 4.351 0.151 1
1 859 . 10 1 1 A 77 77 PRO CA C 77 63.330 64.499 -1.169 1
1 860 . 10 1 1 A 77 77 PRO CB C 77 32.217 31.666 0.551 1
1 863 . 10 1 1 A 79 79 SER HA H 79 4.524 4.406 0.118 1
1 865 . 10 1 1 A 79 79 SER C C 79 173.931 175.777 -1.846 1
1 866 . 10 1 1 A 79 79 SER CA C 79 58.409 58.489 -0.080 1
1 867 . 10 1 1 A 79 79 SER CB C 79 64.147 63.682 0.465 1
1 1 . 11 1 1 A 8 8 GLN H H 8 8.925 8.438 0.487 1
1 2 . 11 1 1 A 8 8 GLN HA H 8 4.398 4.048 0.350 1
1 8 . 11 1 1 A 8 8 GLN CA C 8 56.051 58.709 -2.658 1
1 9 . 11 1 1 A 8 8 GLN CB C 8 29.491 28.557 0.934 1
1 12 . 11 1 1 A 12 12 THR HA H 12 4.352 4.804 -0.452 1
1 17 . 11 1 1 A 12 12 THR CA C 12 61.819 61.432 0.387 1
1 18 . 11 1 1 A 12 12 THR CB C 12 69.783 71.378 -1.595 1
1 20 . 11 1 1 A 13 13 SER HA H 13 4.465 4.519 -0.054 1
1 23 . 11 1 1 A 13 13 SER C C 13 173.828 174.936 -1.108 1
1 24 . 11 1 1 A 13 13 SER CA C 13 57.973 60.614 -2.641 1
1 25 . 11 1 1 A 13 13 SER CB C 13 64.246 64.016 0.230 1
1 26 . 11 1 1 A 14 14 PHE H H 14 8.322 7.921 0.401 1
1 27 . 11 1 1 A 14 14 PHE HA H 14 5.035 4.617 0.418 1
1 35 . 11 1 1 A 14 14 PHE C C 14 176.750 175.250 1.500 1
1 36 . 11 1 1 A 14 14 PHE CA C 14 56.624 58.539 -1.915 1
1 37 . 11 1 1 A 14 14 PHE CB C 14 41.174 39.591 1.583 1
1 43 . 11 1 1 A 14 14 PHE N N 14 121.036 119.642 1.394 1
1 44 . 11 1 1 A 15 15 THR H H 15 8.944 8.422 0.522 1
1 45 . 11 1 1 A 15 15 THR HA H 15 4.529 5.085 -0.556 1
1 50 . 11 1 1 A 15 15 THR C C 15 175.433 175.407 0.026 1
1 51 . 11 1 1 A 15 15 THR CA C 15 60.644 59.336 1.308 1
1 52 . 11 1 1 A 15 15 THR CB C 15 70.784 71.875 -1.091 1
1 54 . 11 1 1 A 15 15 THR N N 15 113.618 111.225 2.393 1
1 55 . 11 1 1 A 16 16 GLN H H 16 9.086 8.905 0.181 1
1 56 . 11 1 1 A 16 16 GLN HA H 16 4.016 4.039 -0.023 1
1 63 . 11 1 1 A 16 16 GLN C C 16 178.149 177.504 0.645 1
1 64 . 11 1 1 A 16 16 GLN CA C 16 59.283 59.301 -0.018 1
1 65 . 11 1 1 A 16 16 GLN CB C 16 27.943 28.544 -0.601 1
1 67 . 11 1 1 A 16 16 GLN N N 16 121.415 121.164 0.251 1
1 69 . 11 1 1 A 17 17 GLU H H 17 8.837 8.429 0.408 1
1 70 . 11 1 1 A 17 17 GLU HA H 17 4.048 4.427 -0.379 1
1 75 . 11 1 1 A 17 17 GLU C C 17 180.248 178.844 1.404 1
1 76 . 11 1 1 A 17 17 GLU CA C 17 60.156 59.309 0.847 1
1 77 . 11 1 1 A 17 17 GLU CB C 17 29.125 29.255 -0.130 1
1 79 . 11 1 1 A 17 17 GLU N N 17 117.930 119.235 -1.305 1
1 80 . 11 1 1 A 18 18 GLN H H 18 7.738 8.189 -0.451 1
1 81 . 11 1 1 A 18 18 GLN HA H 18 3.809 4.228 -0.419 1
1 88 . 11 1 1 A 18 18 GLN C C 18 177.079 178.296 -1.217 1
1 89 . 11 1 1 A 18 18 GLN CA C 18 59.358 57.859 1.499 1
1 90 . 11 1 1 A 18 18 GLN CB C 18 27.338 29.175 -1.837 1
1 92 . 11 1 1 A 18 18 GLN N N 18 119.421 118.468 0.953 1
1 94 . 11 1 1 A 19 19 ILE H H 19 8.265 8.619 -0.354 1
1 95 . 11 1 1 A 19 19 ILE HA H 19 3.240 3.510 -0.270 1
1 105 . 11 1 1 A 19 19 ILE C C 19 177.409 178.114 -0.705 1
1 106 . 11 1 1 A 19 19 ILE CA C 19 64.693 64.918 -0.225 1
1 107 . 11 1 1 A 19 19 ILE CB C 19 37.544 37.219 0.325 1
1 111 . 11 1 1 A 19 19 ILE N N 19 118.326 121.643 -3.317 1
1 112 . 11 1 1 A 20 20 GLU H H 20 8.304 8.694 -0.390 1
1 113 . 11 1 1 A 20 20 GLU HA H 20 3.916 4.029 -0.113 1
1 118 . 11 1 1 A 20 20 GLU C C 20 179.281 178.465 0.816 1
1 119 . 11 1 1 A 20 20 GLU CA C 20 59.674 59.261 0.413 1
1 120 . 11 1 1 A 20 20 GLU CB C 20 29.369 29.086 0.283 1
1 122 . 11 1 1 A 20 20 GLU N N 20 117.948 120.635 -2.687 1
1 123 . 11 1 1 A 21 21 ALA H H 21 7.335 7.875 -0.540 1
1 124 . 11 1 1 A 21 21 ALA HA H 21 4.095 4.119 -0.024 1
1 128 . 11 1 1 A 21 21 ALA C C 21 180.825 179.992 0.833 1
1 129 . 11 1 1 A 21 21 ALA CA C 21 54.885 54.002 0.883 1
1 130 . 11 1 1 A 21 21 ALA CB C 21 19.190 18.407 0.783 1
1 131 . 11 1 1 A 21 21 ALA N N 21 120.460 122.037 -1.577 1
1 132 . 11 1 1 A 22 22 LEU H H 22 8.100 8.051 0.049 1
1 133 . 11 1 1 A 22 22 LEU HA H 22 3.490 3.782 -0.292 1
1 143 . 11 1 1 A 22 22 LEU C C 22 177.861 178.842 -0.981 1
1 144 . 11 1 1 A 22 22 LEU CA C 22 58.530 57.053 1.477 1
1 145 . 11 1 1 A 22 22 LEU CB C 22 37.691 40.410 -2.719 1
1 149 . 11 1 1 A 22 22 LEU N N 22 122.412 119.553 2.859 1
1 150 . 11 1 1 A 23 23 GLU H H 23 8.534 7.946 0.588 1
1 151 . 11 1 1 A 23 23 GLU HA H 23 4.360 4.214 0.146 1
1 156 . 11 1 1 A 23 23 GLU C C 23 180.413 179.448 0.965 1
1 157 . 11 1 1 A 23 23 GLU CA C 23 59.072 59.561 -0.489 1
1 158 . 11 1 1 A 23 23 GLU CB C 23 28.905 29.957 -1.052 1
1 160 . 11 1 1 A 23 23 GLU N N 23 118.309 120.050 -1.741 1
1 161 . 11 1 1 A 24 24 LYS H H 24 7.898 7.807 0.091 1
1 162 . 11 1 1 A 24 24 LYS HA H 24 4.170 3.979 0.191 1
1 170 . 11 1 1 A 24 24 LYS C C 24 179.672 178.922 0.750 1
1 171 . 11 1 1 A 24 24 LYS CA C 24 59.144 59.437 -0.293 1
1 172 . 11 1 1 A 24 24 LYS CB C 24 32.082 32.343 -0.261 1
1 176 . 11 1 1 A 24 24 LYS N N 24 119.449 120.974 -1.525 1
1 177 . 11 1 1 A 25 25 GLU H H 25 7.887 7.555 0.332 1
1 178 . 11 1 1 A 25 25 GLU HA H 25 4.596 4.162 0.434 1
1 183 . 11 1 1 A 25 25 GLU C C 25 177.923 179.237 -1.314 1
1 184 . 11 1 1 A 25 25 GLU CA C 25 58.799 59.179 -0.380 1
1 185 . 11 1 1 A 25 25 GLU CB C 25 28.787 29.290 -0.503 1
1 187 . 11 1 1 A 25 25 GLU N N 25 121.941 119.040 2.901 1
1 188 . 11 1 1 A 26 26 PHE H H 26 8.843 8.448 0.395 1
1 189 . 11 1 1 A 26 26 PHE HA H 26 4.865 4.622 0.243 1
1 197 . 11 1 1 A 26 26 PHE C C 26 176.380 177.707 -1.327 1
1 198 . 11 1 1 A 26 26 PHE CA C 26 60.798 60.847 -0.049 1
1 199 . 11 1 1 A 26 26 PHE CB C 26 38.969 39.115 -0.146 1
1 205 . 11 1 1 A 26 26 PHE N N 26 121.919 120.890 1.029 1
1 206 . 11 1 1 A 27 27 GLU H H 27 7.839 8.479 -0.640 1
1 207 . 11 1 1 A 27 27 GLU HA H 27 3.952 4.113 -0.161 1
1 212 . 11 1 1 A 27 27 GLU C C 27 178.335 178.624 -0.289 1
1 213 . 11 1 1 A 27 27 GLU CA C 27 58.650 60.360 -1.710 1
1 214 . 11 1 1 A 27 27 GLU CB C 27 29.772 29.442 0.330 1
1 216 . 11 1 1 A 27 27 GLU N N 27 115.144 117.586 -2.442 1
1 217 . 11 1 1 A 28 28 ARG H H 28 7.573 7.298 0.275 1
1 218 . 11 1 1 A 28 28 ARG HA H 28 4.109 4.181 -0.072 1
1 225 . 11 1 1 A 28 28 ARG C C 28 177.059 175.832 1.227 1
1 226 . 11 1 1 A 28 28 ARG CA C 28 58.740 58.177 0.563 1
1 227 . 11 1 1 A 28 28 ARG CB C 28 30.995 31.769 -0.774 1
1 230 . 11 1 1 A 28 28 ARG N N 28 120.497 118.976 1.521 1
1 231 . 11 1 1 A 29 29 THR H H 29 8.786 7.754 1.032 1
1 232 . 11 1 1 A 29 29 THR HA H 29 4.291 4.482 -0.191 1
1 237 . 11 1 1 A 29 29 THR C C 29 170.391 173.842 -3.451 1
1 238 . 11 1 1 A 29 29 THR CA C 29 59.674 60.421 -0.747 1
1 239 . 11 1 1 A 29 29 THR CB C 29 68.880 71.521 -2.641 1
1 241 . 11 1 1 A 29 29 THR N N 29 114.915 111.722 3.193 1
1 242 . 11 1 1 A 30 30 HIS H H 30 8.292 8.445 -0.153 1
1 243 . 11 1 1 A 30 30 HIS HA H 30 4.420 3.391 1.029 1
1 248 . 11 1 1 A 30 30 HIS C C 30 174.569 174.305 0.264 1
1 249 . 11 1 1 A 30 30 HIS CA C 30 54.798 57.314 -2.516 1
1 250 . 11 1 1 A 30 30 HIS CB C 30 30.629 28.977 1.652 1
1 253 . 11 1 1 A 30 30 HIS N N 30 122.126 125.160 -3.034 1
1 254 . 11 1 1 A 31 31 TYR H H 31 8.179 7.230 0.949 1
1 255 . 11 1 1 A 31 31 TYR HA H 31 4.731 4.836 -0.105 1
1 262 . 11 1 1 A 31 31 TYR C C 31 172.551 172.974 -0.423 1
1 263 . 11 1 1 A 31 31 TYR CA C 31 55.259 54.958 0.301 1
1 264 . 11 1 1 A 31 31 TYR CB C 31 39.362 38.322 1.040 1
1 269 . 11 1 1 A 31 31 TYR N N 31 115.063 117.724 -2.661 1
1 270 . 11 1 1 A 32 32 PRO HA H 32 4.256 4.561 -0.305 1
1 277 . 11 1 1 A 32 32 PRO C C 32 177.388 176.979 0.409 1
1 278 . 11 1 1 A 32 32 PRO CA C 32 62.903 62.384 0.519 1
1 279 . 11 1 1 A 32 32 PRO CB C 32 30.896 31.402 -0.506 1
1 282 . 11 1 1 A 33 33 ASP H H 33 8.457 8.637 -0.180 1
1 283 . 11 1 1 A 33 33 ASP HA H 33 4.495 4.652 -0.157 1
1 286 . 11 1 1 A 33 33 ASP C C 33 175.824 177.580 -1.756 1
1 287 . 11 1 1 A 33 33 ASP CA C 33 52.776 54.420 -1.644 1
1 288 . 11 1 1 A 33 33 ASP CB C 33 41.174 41.851 -0.677 1
1 289 . 11 1 1 A 33 33 ASP N N 33 124.636 122.688 1.948 1
1 290 . 11 1 1 A 34 34 VAL H H 34 8.331 8.494 -0.163 1
1 291 . 11 1 1 A 34 34 VAL HA H 34 3.488 3.806 -0.318 1
1 299 . 11 1 1 A 34 34 VAL C C 34 176.133 177.431 -1.298 1
1 300 . 11 1 1 A 34 34 VAL CA C 34 66.176 65.162 1.014 1
1 301 . 11 1 1 A 34 34 VAL CB C 34 31.401 31.463 -0.062 1
1 304 . 11 1 1 A 34 34 VAL N N 34 117.908 123.699 -5.791 1
1 305 . 11 1 1 A 35 35 PHE H H 35 7.127 7.807 -0.680 1
1 306 . 11 1 1 A 35 35 PHE HA H 35 4.339 4.173 0.166 1
1 314 . 11 1 1 A 35 35 PHE C C 35 178.808 177.125 1.683 1
1 315 . 11 1 1 A 35 35 PHE CA C 35 60.335 61.575 -1.240 1
1 316 . 11 1 1 A 35 35 PHE CB C 35 37.927 37.773 0.154 1
1 322 . 11 1 1 A 35 35 PHE N N 35 120.263 120.391 -0.128 1
1 323 . 11 1 1 A 36 36 ALA H H 36 8.428 7.934 0.494 1
1 324 . 11 1 1 A 36 36 ALA HA H 36 4.094 4.432 -0.338 1
1 328 . 11 1 1 A 36 36 ALA C C 36 181.812 179.234 2.578 1
1 329 . 11 1 1 A 36 36 ALA CA C 36 55.062 54.342 0.720 1
1 330 . 11 1 1 A 36 36 ALA CB C 36 18.484 19.339 -0.855 1
1 331 . 11 1 1 A 36 36 ALA N N 36 123.569 121.698 1.871 1
1 332 . 11 1 1 A 37 37 ARG H H 37 8.695 8.109 0.586 1
1 333 . 11 1 1 A 37 37 ARG HA H 37 3.920 4.016 -0.096 1
1 341 . 11 1 1 A 37 37 ARG C C 37 178.232 178.970 -0.738 1
1 342 . 11 1 1 A 37 37 ARG CA C 37 61.034 59.489 1.545 1
1 343 . 11 1 1 A 37 37 ARG CB C 37 31.263 29.847 1.416 1
1 346 . 11 1 1 A 37 37 ARG N N 37 117.907 117.563 0.344 1
1 348 . 11 1 1 A 38 38 GLU H H 38 8.531 8.162 0.369 1
1 349 . 11 1 1 A 38 38 GLU HA H 38 4.051 4.124 -0.073 1
1 354 . 11 1 1 A 38 38 GLU C C 38 179.940 179.309 0.631 1
1 355 . 11 1 1 A 38 38 GLU CA C 38 59.765 59.126 0.639 1
1 356 . 11 1 1 A 38 38 GLU CB C 38 29.456 29.358 0.098 1
1 358 . 11 1 1 A 38 38 GLU N N 38 119.688 119.753 -0.065 1
1 359 . 11 1 1 A 39 39 ARG H H 39 8.096 8.044 0.052 1
1 360 . 11 1 1 A 39 39 ARG HA H 39 4.130 4.120 0.010 1
1 366 . 11 1 1 A 39 39 ARG C C 39 179.425 179.006 0.419 1
1 367 . 11 1 1 A 39 39 ARG CA C 39 59.368 58.827 0.541 1
1 368 . 11 1 1 A 39 39 ARG CB C 39 30.300 29.744 0.556 1
1 371 . 11 1 1 A 39 39 ARG N N 39 120.527 120.008 0.519 1
1 372 . 11 1 1 A 40 40 LEU H H 40 7.933 8.244 -0.311 1
1 373 . 11 1 1 A 40 40 LEU HA H 40 4.121 4.091 0.030 1
1 383 . 11 1 1 A 40 40 LEU C C 40 177.861 178.234 -0.373 1
1 384 . 11 1 1 A 40 40 LEU CA C 40 57.807 57.516 0.291 1
1 385 . 11 1 1 A 40 40 LEU CB C 40 42.446 41.341 1.105 1
1 389 . 11 1 1 A 40 40 LEU N N 40 121.371 121.396 -0.025 1
1 390 . 11 1 1 A 41 41 ALA H H 41 8.537 8.206 0.331 1
1 391 . 11 1 1 A 41 41 ALA HA H 41 4.102 3.970 0.132 1
1 395 . 11 1 1 A 41 41 ALA C C 41 180.372 179.016 1.356 1
1 396 . 11 1 1 A 41 41 ALA CA C 41 56.060 55.271 0.789 1
1 397 . 11 1 1 A 41 41 ALA CB C 41 18.892 18.240 0.652 1
1 398 . 11 1 1 A 41 41 ALA N N 41 121.892 120.396 1.496 1
1 399 . 11 1 1 A 42 42 ALA H H 42 7.400 7.755 -0.355 1
1 400 . 11 1 1 A 42 42 ALA HA H 42 4.242 4.220 0.022 1
1 404 . 11 1 1 A 42 42 ALA C C 42 179.631 180.221 -0.590 1
1 405 . 11 1 1 A 42 42 ALA CA C 42 53.951 53.193 0.758 1
1 406 . 11 1 1 A 42 42 ALA CB C 42 18.484 19.139 -0.655 1
1 407 . 11 1 1 A 42 42 ALA N N 42 116.807 119.433 -2.626 1
1 408 . 11 1 1 A 43 43 LYS H H 43 7.781 8.343 -0.562 1
1 409 . 11 1 1 A 43 43 LYS HA H 43 4.229 4.082 0.147 1
1 417 . 11 1 1 A 43 43 LYS C C 43 178.746 177.926 0.820 1
1 418 . 11 1 1 A 43 43 LYS CA C 43 58.710 58.567 0.143 1
1 419 . 11 1 1 A 43 43 LYS CB C 43 33.610 32.478 1.132 1
1 423 . 11 1 1 A 43 43 LYS N N 43 118.433 118.418 0.015 1
1 424 . 11 1 1 A 44 44 ILE H H 44 8.094 7.386 0.708 1
1 425 . 11 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 1
1 435 . 11 1 1 A 44 44 ILE C C 44 175.042 175.296 -0.254 1
1 436 . 11 1 1 A 44 44 ILE CA C 44 60.606 60.065 0.541 1
1 437 . 11 1 1 A 44 44 ILE CB C 44 38.341 38.595 -0.254 1
1 441 . 11 1 1 A 44 44 ILE N N 44 108.112 111.565 -3.453 1
1 442 . 11 1 1 A 45 45 ASP H H 45 7.811 8.192 -0.381 1
1 443 . 11 1 1 A 45 45 ASP HA H 45 4.333 4.234 0.099 1
1 446 . 11 1 1 A 45 45 ASP C C 45 173.848 174.540 -0.692 1
1 447 . 11 1 1 A 45 45 ASP CA C 45 55.065 55.032 0.033 1
1 448 . 11 1 1 A 45 45 ASP CB C 45 39.031 39.649 -0.618 1
1 449 . 11 1 1 A 45 45 ASP N N 45 121.798 121.939 -0.141 1
1 450 . 11 1 1 A 46 46 LEU H H 46 7.550 8.054 -0.504 1
1 451 . 11 1 1 A 46 46 LEU HA H 46 4.990 4.798 0.192 1
1 461 . 11 1 1 A 46 46 LEU C C 46 173.536 174.285 -0.749 1
1 462 . 11 1 1 A 46 46 LEU CA C 46 51.364 51.303 0.061 1
1 463 . 11 1 1 A 46 46 LEU CB C 46 47.443 44.779 2.664 1
1 467 . 11 1 1 A 46 46 LEU N N 46 118.454 118.895 -0.441 1
1 468 . 11 1 1 A 47 47 PRO HA H 47 4.548 4.652 -0.104 1
1 475 . 11 1 1 A 47 47 PRO C C 47 178.417 177.906 0.511 1
1 476 . 11 1 1 A 47 47 PRO CA C 47 62.268 62.795 -0.527 1
1 477 . 11 1 1 A 47 47 PRO CB C 47 32.600 32.266 0.334 1
1 480 . 11 1 1 A 48 48 GLU H H 48 9.253 9.045 0.208 1
1 481 . 11 1 1 A 48 48 GLU HA H 48 3.799 4.034 -0.235 1
1 486 . 11 1 1 A 48 48 GLU C C 48 178.273 178.318 -0.045 1
1 487 . 11 1 1 A 48 48 GLU CA C 48 61.083 59.403 1.680 1
1 488 . 11 1 1 A 48 48 GLU CB C 48 28.815 29.462 -0.647 1
1 490 . 11 1 1 A 48 48 GLU N N 48 126.081 124.435 1.646 1
1 491 . 11 1 1 A 49 49 ALA H H 49 8.923 8.081 0.842 1
1 492 . 11 1 1 A 49 49 ALA HA H 49 4.128 4.197 -0.069 1
1 496 . 11 1 1 A 49 49 ALA C C 49 181.277 179.406 1.871 1
1 497 . 11 1 1 A 49 49 ALA CA C 49 55.569 54.973 0.596 1
1 498 . 11 1 1 A 49 49 ALA CB C 49 18.681 18.460 0.221 1
1 499 . 11 1 1 A 49 49 ALA N N 49 119.313 122.554 -3.241 1
1 500 . 11 1 1 A 50 50 ARG H H 50 7.417 8.122 -0.705 1
1 501 . 11 1 1 A 50 50 ARG HA H 50 4.348 4.158 0.190 1
1 508 . 11 1 1 A 50 50 ARG C C 50 179.425 178.608 0.817 1
1 509 . 11 1 1 A 50 50 ARG CA C 50 57.978 59.706 -1.728 1
1 510 . 11 1 1 A 50 50 ARG CB C 50 29.723 30.116 -0.393 1
1 513 . 11 1 1 A 50 50 ARG N N 50 114.567 118.103 -3.536 1
1 514 . 11 1 1 A 51 51 ILE H H 51 7.785 7.927 -0.142 1
1 515 . 11 1 1 A 51 51 ILE HA H 51 3.816 3.902 -0.086 1
1 525 . 11 1 1 A 51 51 ILE C C 51 178.088 178.073 0.015 1
1 526 . 11 1 1 A 51 51 ILE CA C 51 65.848 65.280 0.568 1
1 527 . 11 1 1 A 51 51 ILE CB C 51 37.785 37.886 -0.101 1
1 531 . 11 1 1 A 51 51 ILE N N 51 121.669 120.866 0.803 1
1 532 . 11 1 1 A 52 52 GLN H H 52 8.478 8.364 0.114 1
1 533 . 11 1 1 A 52 52 GLN HA H 52 4.423 4.020 0.403 1
1 539 . 11 1 1 A 52 52 GLN C C 52 179.364 178.928 0.436 1
1 540 . 11 1 1 A 52 52 GLN CA C 52 60.232 59.046 1.186 1
1 541 . 11 1 1 A 52 52 GLN CB C 52 28.945 28.378 0.567 1
1 543 . 11 1 1 A 52 52 GLN N N 52 118.943 118.389 0.554 1
1 545 . 11 1 1 A 53 53 VAL H H 53 7.582 8.146 -0.564 1
1 546 . 11 1 1 A 53 53 VAL HA H 53 3.842 3.696 0.146 1
1 554 . 11 1 1 A 53 53 VAL C C 53 177.800 178.253 -0.453 1
1 555 . 11 1 1 A 53 53 VAL CA C 53 66.633 66.896 -0.263 1
1 556 . 11 1 1 A 53 53 VAL CB C 53 32.241 31.767 0.474 1
1 559 . 11 1 1 A 53 53 VAL N N 53 120.375 120.486 -0.111 1
1 560 . 11 1 1 A 54 54 TRP H H 54 8.390 8.299 0.091 1
1 561 . 11 1 1 A 54 54 TRP HA H 54 4.050 4.094 -0.044 1
1 570 . 11 1 1 A 54 54 TRP C C 54 180.084 178.309 1.775 1
1 571 . 11 1 1 A 54 54 TRP CA C 54 63.229 61.052 2.177 1
1 572 . 11 1 1 A 54 54 TRP CB C 54 28.726 29.455 -0.729 1
1 578 . 11 1 1 A 54 54 TRP N N 54 121.414 121.433 -0.019 1
1 580 . 11 1 1 A 55 55 PHE H H 55 9.127 8.547 0.580 1
1 581 . 11 1 1 A 55 55 PHE HA H 55 3.771 4.392 -0.621 1
1 589 . 11 1 1 A 55 55 PHE C C 55 178.170 178.178 -0.008 1
1 590 . 11 1 1 A 55 55 PHE CA C 55 63.826 62.025 1.801 1
1 591 . 11 1 1 A 55 55 PHE CB C 55 39.195 38.258 0.937 1
1 597 . 11 1 1 A 55 55 PHE N N 55 118.358 117.595 0.763 1
1 598 . 11 1 1 A 56 56 SER H H 56 8.267 8.591 -0.324 1
1 599 . 11 1 1 A 56 56 SER HA H 56 4.148 4.105 0.043 1
1 602 . 11 1 1 A 56 56 SER C C 56 178.376 177.313 1.063 1
1 603 . 11 1 1 A 56 56 SER CA C 56 62.578 61.860 0.718 1
1 604 . 11 1 1 A 56 56 SER CB C 56 62.412 63.142 -0.730 1
1 605 . 11 1 1 A 56 56 SER N N 56 115.049 115.150 -0.101 1
1 606 . 11 1 1 A 57 57 ASN H H 57 8.231 8.222 0.009 1
1 607 . 11 1 1 A 57 57 ASN HA H 57 4.411 4.452 -0.041 1
1 612 . 11 1 1 A 57 57 ASN C C 57 177.573 178.329 -0.756 1
1 613 . 11 1 1 A 57 57 ASN CA C 57 55.698 56.205 -0.507 1
1 614 . 11 1 1 A 57 57 ASN CB C 57 37.827 37.525 0.302 1
1 615 . 11 1 1 A 57 57 ASN N N 57 120.846 119.932 0.914 1
1 617 . 11 1 1 A 58 58 ARG H H 58 8.531 7.478 1.053 1
1 618 . 11 1 1 A 58 58 ARG HA H 58 3.533 3.617 -0.084 1
1 626 . 11 1 1 A 58 58 ARG C C 58 179.919 179.153 0.766 1
1 627 . 11 1 1 A 58 58 ARG CA C 58 56.451 59.634 -3.183 1
1 628 . 11 1 1 A 58 58 ARG CB C 58 27.981 29.650 -1.669 1
1 631 . 11 1 1 A 58 58 ARG N N 58 124.704 119.813 4.891 1
1 633 . 11 1 1 A 59 59 ARG H H 59 8.496 8.317 0.179 1
1 634 . 11 1 1 A 59 59 ARG HA H 59 4.072 4.233 -0.161 1
1 641 . 11 1 1 A 59 59 ARG C C 59 178.520 179.147 -0.627 1
1 642 . 11 1 1 A 59 59 ARG CA C 59 60.970 59.655 1.315 1
1 643 . 11 1 1 A 59 59 ARG CB C 59 31.601 29.942 1.659 1
1 646 . 11 1 1 A 59 59 ARG N N 59 120.108 119.845 0.263 1
1 647 . 11 1 1 A 60 60 ALA H H 60 7.487 7.757 -0.270 1
1 648 . 11 1 1 A 60 60 ALA HA H 60 4.197 4.134 0.063 1
1 652 . 11 1 1 A 60 60 ALA C C 60 180.475 180.105 0.370 1
1 653 . 11 1 1 A 60 60 ALA CA C 60 55.547 54.968 0.579 1
1 654 . 11 1 1 A 60 60 ALA CB C 60 17.635 18.297 -0.662 1
1 655 . 11 1 1 A 60 60 ALA N N 60 121.949 121.718 0.231 1
1 656 . 11 1 1 A 61 61 LYS H H 61 7.733 7.996 -0.263 1
1 657 . 11 1 1 A 61 61 LYS HA H 61 3.927 3.999 -0.072 1
1 666 . 11 1 1 A 61 61 LYS C C 61 177.656 178.779 -1.123 1
1 667 . 11 1 1 A 61 61 LYS CA C 61 59.590 58.725 0.865 1
1 668 . 11 1 1 A 61 61 LYS CB C 61 32.903 32.000 0.903 1
1 672 . 11 1 1 A 61 61 LYS N N 61 120.311 118.184 2.127 1
1 673 . 11 1 1 A 62 62 TRP H H 62 8.235 8.316 -0.081 1
1 674 . 11 1 1 A 62 62 TRP HA H 62 4.475 4.236 0.239 1
1 683 . 11 1 1 A 62 62 TRP C C 62 178.088 178.294 -0.206 1
1 684 . 11 1 1 A 62 62 TRP CA C 62 61.043 60.414 0.629 1
1 685 . 11 1 1 A 62 62 TRP CB C 62 29.113 29.672 -0.559 1
1 691 . 11 1 1 A 62 62 TRP N N 62 120.161 121.868 -1.707 1
1 693 . 11 1 1 A 63 63 ARG H H 63 8.579 8.703 -0.124 1
1 694 . 11 1 1 A 63 63 ARG HA H 63 3.762 3.984 -0.222 1
1 701 . 11 1 1 A 63 63 ARG C C 63 179.220 178.840 0.380 1
1 702 . 11 1 1 A 63 63 ARG CA C 63 59.644 59.409 0.235 1
1 703 . 11 1 1 A 63 63 ARG CB C 63 30.498 29.883 0.615 1
1 706 . 11 1 1 A 63 63 ARG N N 63 117.951 119.101 -1.150 1
1 707 . 11 1 1 A 64 64 ARG H H 64 7.754 7.808 -0.054 1
1 708 . 11 1 1 A 64 64 ARG HA H 64 4.075 4.053 0.022 1
1 715 . 11 1 1 A 64 64 ARG C C 64 178.643 178.451 0.192 1
1 716 . 11 1 1 A 64 64 ARG CA C 64 59.313 59.011 0.302 1
1 717 . 11 1 1 A 64 64 ARG CB C 64 30.254 29.837 0.417 1
1 720 . 11 1 1 A 64 64 ARG N N 64 119.265 118.769 0.496 1
1 721 . 11 1 1 A 65 65 GLU H H 65 8.134 7.989 0.145 1
1 722 . 11 1 1 A 65 65 GLU HA H 65 3.988 4.036 -0.048 1
1 727 . 11 1 1 A 65 65 GLU C C 65 178.890 178.661 0.229 1
1 728 . 11 1 1 A 65 65 GLU CA C 65 58.891 58.978 -0.087 1
1 729 . 11 1 1 A 65 65 GLU CB C 65 29.228 29.613 -0.385 1
1 731 . 11 1 1 A 65 65 GLU N N 65 119.336 119.300 0.036 1
1 732 . 11 1 1 A 66 66 GLU H H 66 8.212 7.967 0.245 1
1 733 . 11 1 1 A 66 66 GLU HA H 66 3.804 3.681 0.123 1
1 738 . 11 1 1 A 66 66 GLU C C 66 178.273 178.468 -0.195 1
1 739 . 11 1 1 A 66 66 GLU CA C 66 58.714 59.039 -0.325 1
1 740 . 11 1 1 A 66 66 GLU CB C 66 29.493 28.608 0.885 1
1 742 . 11 1 1 A 66 66 GLU N N 66 121.135 120.151 0.984 1
1 743 . 11 1 1 A 67 67 LYS H H 67 7.663 7.749 -0.086 1
1 744 . 11 1 1 A 67 67 LYS HA H 67 4.044 4.089 -0.045 1
1 752 . 11 1 1 A 67 67 LYS C C 67 178.787 179.141 -0.354 1
1 753 . 11 1 1 A 67 67 LYS CA C 67 58.801 59.326 -0.525 1
1 754 . 11 1 1 A 67 67 LYS CB C 67 32.239 32.154 0.085 1
1 758 . 11 1 1 A 67 67 LYS N N 67 119.200 119.793 -0.593 1
1 759 . 11 1 1 A 68 68 LEU H H 68 7.631 8.325 -0.694 1
1 760 . 11 1 1 A 68 68 LEU HA H 68 4.155 3.902 0.253 1
1 770 . 11 1 1 A 68 68 LEU C C 68 179.055 179.219 -0.164 1
1 771 . 11 1 1 A 68 68 LEU CA C 68 56.903 57.798 -0.895 1
1 772 . 11 1 1 A 68 68 LEU CB C 68 41.850 41.455 0.395 1
1 776 . 11 1 1 A 68 68 LEU N N 68 118.976 119.464 -0.488 1
1 777 . 11 1 1 A 69 69 ARG H H 69 7.900 8.116 -0.216 1
1 778 . 11 1 1 A 69 69 ARG HA H 69 4.089 3.914 0.175 1
1 785 . 11 1 1 A 69 69 ARG C C 69 177.985 179.078 -1.093 1
1 786 . 11 1 1 A 69 69 ARG CA C 69 58.551 59.591 -1.040 1
1 787 . 11 1 1 A 69 69 ARG CB C 69 30.430 30.158 0.272 1
1 790 . 11 1 1 A 69 69 ARG N N 69 119.387 119.020 0.367 1
1 791 . 11 1 1 A 70 70 ASN H H 70 8.088 7.875 0.213 1
1 792 . 11 1 1 A 70 70 ASN HA H 70 4.633 4.427 0.206 1
1 797 . 11 1 1 A 70 70 ASN C C 70 176.194 177.830 -1.636 1
1 798 . 11 1 1 A 70 70 ASN CA C 70 54.463 56.717 -2.254 1
1 799 . 11 1 1 A 70 70 ASN CB C 70 38.805 39.953 -1.148 1
1 800 . 11 1 1 A 70 70 ASN N N 70 117.289 118.054 -0.765 1
1 802 . 11 1 1 A 71 71 GLN H H 71 8.017 7.809 0.208 1
1 803 . 11 1 1 A 71 71 GLN HA H 71 4.263 4.098 0.165 1
1 810 . 11 1 1 A 71 71 GLN C C 71 176.750 177.464 -0.714 1
1 811 . 11 1 1 A 71 71 GLN CA C 71 57.031 58.216 -1.185 1
1 812 . 11 1 1 A 71 71 GLN CB C 71 29.122 28.530 0.592 1
1 814 . 11 1 1 A 71 71 GLN N N 71 119.838 117.702 2.136 1
1 816 . 11 1 1 A 72 72 ARG H H 72 8.125 7.504 0.621 1
1 817 . 11 1 1 A 72 72 ARG HA H 72 4.312 4.317 -0.005 1
1 823 . 11 1 1 A 72 72 ARG C C 72 176.729 176.389 0.340 1
1 824 . 11 1 1 A 72 72 ARG CA C 72 56.840 57.395 -0.555 1
1 825 . 11 1 1 A 72 72 ARG CB C 72 30.500 30.928 -0.428 1
1 828 . 11 1 1 A 72 72 ARG N N 72 120.534 117.498 3.036 1
1 829 . 11 1 1 A 73 73 ARG H H 73 8.148 7.449 0.699 1
1 830 . 11 1 1 A 73 73 ARG HA H 73 4.412 4.102 0.310 1
1 836 . 11 1 1 A 73 73 ARG C C 73 176.552 176.176 0.376 1
1 837 . 11 1 1 A 73 73 ARG CA C 73 56.445 56.730 -0.285 1
1 838 . 11 1 1 A 73 73 ARG CB C 73 30.676 30.731 -0.055 1
1 841 . 11 1 1 A 73 73 ARG N N 73 121.356 121.226 0.130 1
1 842 . 11 1 1 A 74 74 GLN HA H 74 4.334 4.529 -0.195 1
1 846 . 11 1 1 A 74 74 GLN CA C 74 56.127 55.794 0.333 1
1 847 . 11 1 1 A 74 74 GLN CB C 74 29.362 27.993 1.369 1
1 849 . 11 1 1 A 76 76 GLY HA2 H 76 4.168 4.029 0.139 1
1 850 . 11 1 1 A 76 76 GLY HA3 H 76 4.168 4.030 0.138 1
1 851 . 11 1 1 A 76 76 GLY CA C 76 44.736 45.216 -0.480 1
1 852 . 11 1 1 A 77 77 PRO HA H 77 4.502 4.639 -0.137 1
1 859 . 11 1 1 A 77 77 PRO CA C 77 63.330 62.797 0.533 1
1 860 . 11 1 1 A 77 77 PRO CB C 77 32.217 32.628 -0.411 1
1 863 . 11 1 1 A 79 79 SER HA H 79 4.524 4.151 0.373 1
1 865 . 11 1 1 A 79 79 SER C C 79 173.931 174.366 -0.435 1
1 866 . 11 1 1 A 79 79 SER CA C 79 58.409 59.491 -1.082 1
1 867 . 11 1 1 A 79 79 SER CB C 79 64.147 61.631 2.516 1
1 1 . 12 1 1 A 8 8 GLN H H 8 8.925 8.028 0.897 1
1 2 . 12 1 1 A 8 8 GLN HA H 8 4.398 4.435 -0.037 1
1 8 . 12 1 1 A 8 8 GLN CA C 8 56.051 54.728 1.323 1
1 9 . 12 1 1 A 8 8 GLN CB C 8 29.491 27.940 1.551 1
1 12 . 12 1 1 A 12 12 THR HA H 12 4.352 4.257 0.095 1
1 17 . 12 1 1 A 12 12 THR CA C 12 61.819 63.867 -2.048 1
1 18 . 12 1 1 A 12 12 THR CB C 12 69.783 68.209 1.574 1
1 20 . 12 1 1 A 13 13 SER HA H 13 4.465 4.475 -0.010 1
1 23 . 12 1 1 A 13 13 SER C C 13 173.828 174.595 -0.767 1
1 24 . 12 1 1 A 13 13 SER CA C 13 57.973 60.793 -2.820 1
1 25 . 12 1 1 A 13 13 SER CB C 13 64.246 63.544 0.702 1
1 26 . 12 1 1 A 14 14 PHE H H 14 8.322 7.922 0.400 1
1 27 . 12 1 1 A 14 14 PHE HA H 14 5.035 4.599 0.436 1
1 35 . 12 1 1 A 14 14 PHE C C 14 176.750 175.501 1.249 1
1 36 . 12 1 1 A 14 14 PHE CA C 14 56.624 58.528 -1.904 1
1 37 . 12 1 1 A 14 14 PHE CB C 14 41.174 39.623 1.551 1
1 43 . 12 1 1 A 14 14 PHE N N 14 121.036 118.706 2.330 1
1 44 . 12 1 1 A 15 15 THR H H 15 8.944 7.989 0.955 1
1 45 . 12 1 1 A 15 15 THR HA H 15 4.529 4.915 -0.386 1
1 50 . 12 1 1 A 15 15 THR C C 15 175.433 175.071 0.362 1
1 51 . 12 1 1 A 15 15 THR CA C 15 60.644 59.646 0.998 1
1 52 . 12 1 1 A 15 15 THR CB C 15 70.784 70.737 0.047 1
1 54 . 12 1 1 A 15 15 THR N N 15 113.618 114.988 -1.370 1
1 55 . 12 1 1 A 16 16 GLN H H 16 9.086 8.997 0.089 1
1 56 . 12 1 1 A 16 16 GLN HA H 16 4.016 4.050 -0.034 1
1 63 . 12 1 1 A 16 16 GLN C C 16 178.149 177.504 0.645 1
1 64 . 12 1 1 A 16 16 GLN CA C 16 59.283 59.241 0.042 1
1 65 . 12 1 1 A 16 16 GLN CB C 16 27.943 28.807 -0.864 1
1 67 . 12 1 1 A 16 16 GLN N N 16 121.415 126.300 -4.885 1
1 69 . 12 1 1 A 17 17 GLU H H 17 8.837 8.302 0.535 1
1 70 . 12 1 1 A 17 17 GLU HA H 17 4.048 4.237 -0.189 1
1 75 . 12 1 1 A 17 17 GLU C C 17 180.248 179.379 0.869 1
1 76 . 12 1 1 A 17 17 GLU CA C 17 60.156 59.433 0.723 1
1 77 . 12 1 1 A 17 17 GLU CB C 17 29.125 29.315 -0.190 1
1 79 . 12 1 1 A 17 17 GLU N N 17 117.930 118.569 -0.639 1
1 80 . 12 1 1 A 18 18 GLN H H 18 7.738 8.130 -0.392 1
1 81 . 12 1 1 A 18 18 GLN HA H 18 3.809 4.171 -0.362 1
1 88 . 12 1 1 A 18 18 GLN C C 18 177.079 178.579 -1.500 1
1 89 . 12 1 1 A 18 18 GLN CA C 18 59.358 58.396 0.962 1
1 90 . 12 1 1 A 18 18 GLN CB C 18 27.338 28.873 -1.535 1
1 92 . 12 1 1 A 18 18 GLN N N 18 119.421 118.652 0.769 1
1 94 . 12 1 1 A 19 19 ILE H H 19 8.265 8.613 -0.348 1
1 95 . 12 1 1 A 19 19 ILE HA H 19 3.240 3.568 -0.328 1
1 105 . 12 1 1 A 19 19 ILE C C 19 177.409 177.733 -0.324 1
1 106 . 12 1 1 A 19 19 ILE CA C 19 64.693 65.426 -0.733 1
1 107 . 12 1 1 A 19 19 ILE CB C 19 37.544 37.524 0.020 1
1 111 . 12 1 1 A 19 19 ILE N N 19 118.326 121.665 -3.339 1
1 112 . 12 1 1 A 20 20 GLU H H 20 8.304 8.805 -0.501 1
1 113 . 12 1 1 A 20 20 GLU HA H 20 3.916 4.028 -0.112 1
1 118 . 12 1 1 A 20 20 GLU C C 20 179.281 178.213 1.068 1
1 119 . 12 1 1 A 20 20 GLU CA C 20 59.674 59.124 0.550 1
1 120 . 12 1 1 A 20 20 GLU CB C 20 29.369 29.239 0.130 1
1 122 . 12 1 1 A 20 20 GLU N N 20 117.948 120.302 -2.354 1
1 123 . 12 1 1 A 21 21 ALA H H 21 7.335 7.845 -0.510 1
1 124 . 12 1 1 A 21 21 ALA HA H 21 4.095 4.104 -0.009 1
1 128 . 12 1 1 A 21 21 ALA C C 21 180.825 180.054 0.771 1
1 129 . 12 1 1 A 21 21 ALA CA C 21 54.885 54.138 0.747 1
1 130 . 12 1 1 A 21 21 ALA CB C 21 19.190 18.488 0.702 1
1 131 . 12 1 1 A 21 21 ALA N N 21 120.460 122.164 -1.704 1
1 132 . 12 1 1 A 22 22 LEU H H 22 8.100 8.222 -0.122 1
1 133 . 12 1 1 A 22 22 LEU HA H 22 3.490 3.719 -0.229 1
1 143 . 12 1 1 A 22 22 LEU C C 22 177.861 178.594 -0.733 1
1 144 . 12 1 1 A 22 22 LEU CA C 22 58.530 57.004 1.526 1
1 145 . 12 1 1 A 22 22 LEU CB C 22 37.691 40.294 -2.603 1
1 149 . 12 1 1 A 22 22 LEU N N 22 122.412 120.064 2.348 1
1 150 . 12 1 1 A 23 23 GLU H H 23 8.534 8.182 0.352 1
1 151 . 12 1 1 A 23 23 GLU HA H 23 4.360 4.089 0.271 1
1 156 . 12 1 1 A 23 23 GLU C C 23 180.413 179.247 1.166 1
1 157 . 12 1 1 A 23 23 GLU CA C 23 59.072 59.465 -0.393 1
1 158 . 12 1 1 A 23 23 GLU CB C 23 28.905 30.008 -1.103 1
1 160 . 12 1 1 A 23 23 GLU N N 23 118.309 119.877 -1.568 1
1 161 . 12 1 1 A 24 24 LYS H H 24 7.898 7.831 0.067 1
1 162 . 12 1 1 A 24 24 LYS HA H 24 4.170 4.027 0.143 1
1 170 . 12 1 1 A 24 24 LYS C C 24 179.672 179.232 0.440 1
1 171 . 12 1 1 A 24 24 LYS CA C 24 59.144 59.898 -0.754 1
1 172 . 12 1 1 A 24 24 LYS CB C 24 32.082 32.481 -0.399 1
1 176 . 12 1 1 A 24 24 LYS N N 24 119.449 121.167 -1.718 1
1 177 . 12 1 1 A 25 25 GLU H H 25 7.887 7.974 -0.087 1
1 178 . 12 1 1 A 25 25 GLU HA H 25 4.596 3.992 0.604 1
1 183 . 12 1 1 A 25 25 GLU C C 25 177.923 179.295 -1.372 1
1 184 . 12 1 1 A 25 25 GLU CA C 25 58.799 59.443 -0.644 1
1 185 . 12 1 1 A 25 25 GLU CB C 25 28.787 29.472 -0.685 1
1 187 . 12 1 1 A 25 25 GLU N N 25 121.941 118.943 2.998 1
1 188 . 12 1 1 A 26 26 PHE H H 26 8.843 8.293 0.550 1
1 189 . 12 1 1 A 26 26 PHE HA H 26 4.865 4.578 0.287 1
1 197 . 12 1 1 A 26 26 PHE C C 26 176.380 177.870 -1.490 1
1 198 . 12 1 1 A 26 26 PHE CA C 26 60.798 60.964 -0.166 1
1 199 . 12 1 1 A 26 26 PHE CB C 26 38.969 39.158 -0.189 1
1 205 . 12 1 1 A 26 26 PHE N N 26 121.919 120.633 1.286 1
1 206 . 12 1 1 A 27 27 GLU H H 27 7.839 8.442 -0.603 1
1 207 . 12 1 1 A 27 27 GLU HA H 27 3.952 4.113 -0.161 1
1 212 . 12 1 1 A 27 27 GLU C C 27 178.335 178.610 -0.275 1
1 213 . 12 1 1 A 27 27 GLU CA C 27 58.650 60.497 -1.847 1
1 214 . 12 1 1 A 27 27 GLU CB C 27 29.772 29.323 0.449 1
1 216 . 12 1 1 A 27 27 GLU N N 27 115.144 117.457 -2.313 1
1 217 . 12 1 1 A 28 28 ARG H H 28 7.573 7.383 0.190 1
1 218 . 12 1 1 A 28 28 ARG HA H 28 4.109 4.206 -0.097 1
1 225 . 12 1 1 A 28 28 ARG C C 28 177.059 175.770 1.289 1
1 226 . 12 1 1 A 28 28 ARG CA C 28 58.740 57.811 0.929 1
1 227 . 12 1 1 A 28 28 ARG CB C 28 30.995 31.768 -0.773 1
1 230 . 12 1 1 A 28 28 ARG N N 28 120.497 119.245 1.252 1
1 231 . 12 1 1 A 29 29 THR H H 29 8.786 7.693 1.093 1
1 232 . 12 1 1 A 29 29 THR HA H 29 4.291 4.521 -0.230 1
1 237 . 12 1 1 A 29 29 THR C C 29 170.391 173.905 -3.514 1
1 238 . 12 1 1 A 29 29 THR CA C 29 59.674 60.534 -0.860 1
1 239 . 12 1 1 A 29 29 THR CB C 29 68.880 71.466 -2.586 1
1 241 . 12 1 1 A 29 29 THR N N 29 114.915 111.762 3.153 1
1 242 . 12 1 1 A 30 30 HIS H H 30 8.292 8.470 -0.178 1
1 243 . 12 1 1 A 30 30 HIS HA H 30 4.420 3.120 1.300 1
1 248 . 12 1 1 A 30 30 HIS C C 30 174.569 174.131 0.438 1
1 249 . 12 1 1 A 30 30 HIS CA C 30 54.798 57.126 -2.328 1
1 250 . 12 1 1 A 30 30 HIS CB C 30 30.629 28.939 1.690 1
1 253 . 12 1 1 A 30 30 HIS N N 30 122.126 125.562 -3.436 1
1 254 . 12 1 1 A 31 31 TYR H H 31 8.179 7.278 0.901 1
1 255 . 12 1 1 A 31 31 TYR HA H 31 4.731 4.875 -0.144 1
1 262 . 12 1 1 A 31 31 TYR C C 31 172.551 172.896 -0.345 1
1 263 . 12 1 1 A 31 31 TYR CA C 31 55.259 55.024 0.235 1
1 264 . 12 1 1 A 31 31 TYR CB C 31 39.362 38.370 0.992 1
1 269 . 12 1 1 A 31 31 TYR N N 31 115.063 117.579 -2.516 1
1 270 . 12 1 1 A 32 32 PRO HA H 32 4.256 4.574 -0.318 1
1 277 . 12 1 1 A 32 32 PRO C C 32 177.388 176.883 0.505 1
1 278 . 12 1 1 A 32 32 PRO CA C 32 62.903 62.397 0.506 1
1 279 . 12 1 1 A 32 32 PRO CB C 32 30.896 31.210 -0.314 1
1 282 . 12 1 1 A 33 33 ASP H H 33 8.457 8.645 -0.188 1
1 283 . 12 1 1 A 33 33 ASP HA H 33 4.495 4.625 -0.130 1
1 286 . 12 1 1 A 33 33 ASP C C 33 175.824 177.522 -1.698 1
1 287 . 12 1 1 A 33 33 ASP CA C 33 52.776 54.510 -1.734 1
1 288 . 12 1 1 A 33 33 ASP CB C 33 41.174 41.928 -0.754 1
1 289 . 12 1 1 A 33 33 ASP N N 33 124.636 122.484 2.152 1
1 290 . 12 1 1 A 34 34 VAL H H 34 8.331 8.481 -0.150 1
1 291 . 12 1 1 A 34 34 VAL HA H 34 3.488 3.741 -0.253 1
1 299 . 12 1 1 A 34 34 VAL C C 34 176.133 177.415 -1.282 1
1 300 . 12 1 1 A 34 34 VAL CA C 34 66.176 65.355 0.821 1
1 301 . 12 1 1 A 34 34 VAL CB C 34 31.401 31.518 -0.117 1
1 304 . 12 1 1 A 34 34 VAL N N 34 117.908 123.812 -5.904 1
1 305 . 12 1 1 A 35 35 PHE H H 35 7.127 7.844 -0.717 1
1 306 . 12 1 1 A 35 35 PHE HA H 35 4.339 4.173 0.166 1
1 314 . 12 1 1 A 35 35 PHE C C 35 178.808 177.527 1.281 1
1 315 . 12 1 1 A 35 35 PHE CA C 35 60.335 61.494 -1.159 1
1 316 . 12 1 1 A 35 35 PHE CB C 35 37.927 37.868 0.059 1
1 322 . 12 1 1 A 35 35 PHE N N 35 120.263 120.565 -0.302 1
1 323 . 12 1 1 A 36 36 ALA H H 36 8.428 8.092 0.336 1
1 324 . 12 1 1 A 36 36 ALA HA H 36 4.094 4.303 -0.209 1
1 328 . 12 1 1 A 36 36 ALA C C 36 181.812 179.317 2.495 1
1 329 . 12 1 1 A 36 36 ALA CA C 36 55.062 54.610 0.452 1
1 330 . 12 1 1 A 36 36 ALA CB C 36 18.484 19.216 -0.732 1
1 331 . 12 1 1 A 36 36 ALA N N 36 123.569 121.846 1.723 1
1 332 . 12 1 1 A 37 37 ARG H H 37 8.695 8.142 0.553 1
1 333 . 12 1 1 A 37 37 ARG HA H 37 3.920 4.030 -0.110 1
1 341 . 12 1 1 A 37 37 ARG C C 37 178.232 178.759 -0.527 1
1 342 . 12 1 1 A 37 37 ARG CA C 37 61.034 59.670 1.364 1
1 343 . 12 1 1 A 37 37 ARG CB C 37 31.263 29.779 1.484 1
1 346 . 12 1 1 A 37 37 ARG N N 37 117.907 117.500 0.407 1
1 348 . 12 1 1 A 38 38 GLU H H 38 8.531 8.359 0.172 1
1 349 . 12 1 1 A 38 38 GLU HA H 38 4.051 4.075 -0.024 1
1 354 . 12 1 1 A 38 38 GLU C C 38 179.940 179.401 0.539 1
1 355 . 12 1 1 A 38 38 GLU CA C 38 59.765 59.308 0.457 1
1 356 . 12 1 1 A 38 38 GLU CB C 38 29.456 29.155 0.301 1
1 358 . 12 1 1 A 38 38 GLU N N 38 119.688 119.833 -0.145 1
1 359 . 12 1 1 A 39 39 ARG H H 39 8.096 8.015 0.081 1
1 360 . 12 1 1 A 39 39 ARG HA H 39 4.130 4.079 0.051 1
1 366 . 12 1 1 A 39 39 ARG C C 39 179.425 179.018 0.407 1
1 367 . 12 1 1 A 39 39 ARG CA C 39 59.368 58.944 0.424 1
1 368 . 12 1 1 A 39 39 ARG CB C 39 30.300 29.859 0.441 1
1 371 . 12 1 1 A 39 39 ARG N N 39 120.527 120.315 0.212 1
1 372 . 12 1 1 A 40 40 LEU H H 40 7.933 8.182 -0.249 1
1 373 . 12 1 1 A 40 40 LEU HA H 40 4.121 4.064 0.057 1
1 383 . 12 1 1 A 40 40 LEU C C 40 177.861 178.286 -0.425 1
1 384 . 12 1 1 A 40 40 LEU CA C 40 57.807 57.641 0.166 1
1 385 . 12 1 1 A 40 40 LEU CB C 40 42.446 41.430 1.016 1
1 389 . 12 1 1 A 40 40 LEU N N 40 121.371 121.391 -0.020 1
1 390 . 12 1 1 A 41 41 ALA H H 41 8.537 8.217 0.320 1
1 391 . 12 1 1 A 41 41 ALA HA H 41 4.102 4.201 -0.099 1
1 395 . 12 1 1 A 41 41 ALA C C 41 180.372 179.290 1.082 1
1 396 . 12 1 1 A 41 41 ALA CA C 41 56.060 55.385 0.675 1
1 397 . 12 1 1 A 41 41 ALA CB C 41 18.892 18.119 0.773 1
1 398 . 12 1 1 A 41 41 ALA N N 41 121.892 120.313 1.579 1
1 399 . 12 1 1 A 42 42 ALA H H 42 7.400 7.293 0.107 1
1 400 . 12 1 1 A 42 42 ALA HA H 42 4.242 4.184 0.058 1
1 404 . 12 1 1 A 42 42 ALA C C 42 179.631 180.199 -0.568 1
1 405 . 12 1 1 A 42 42 ALA CA C 42 53.951 53.224 0.727 1
1 406 . 12 1 1 A 42 42 ALA CB C 42 18.484 18.939 -0.455 1
1 407 . 12 1 1 A 42 42 ALA N N 42 116.807 119.546 -2.739 1
1 408 . 12 1 1 A 43 43 LYS H H 43 7.781 8.122 -0.341 1
1 409 . 12 1 1 A 43 43 LYS HA H 43 4.229 4.107 0.122 1
1 417 . 12 1 1 A 43 43 LYS C C 43 178.746 178.152 0.594 1
1 418 . 12 1 1 A 43 43 LYS CA C 43 58.710 58.953 -0.243 1
1 419 . 12 1 1 A 43 43 LYS CB C 43 33.610 32.881 0.729 1
1 423 . 12 1 1 A 43 43 LYS N N 43 118.433 118.083 0.350 1
1 424 . 12 1 1 A 44 44 ILE H H 44 8.094 7.808 0.286 1
1 425 . 12 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 1
1 435 . 12 1 1 A 44 44 ILE C C 44 175.042 174.653 0.389 1
1 436 . 12 1 1 A 44 44 ILE CA C 44 60.606 60.015 0.591 1
1 437 . 12 1 1 A 44 44 ILE CB C 44 38.341 37.273 1.068 1
1 441 . 12 1 1 A 44 44 ILE N N 44 108.112 111.268 -3.156 1
1 442 . 12 1 1 A 45 45 ASP H H 45 7.811 7.972 -0.161 1
1 443 . 12 1 1 A 45 45 ASP HA H 45 4.333 4.217 0.116 1
1 446 . 12 1 1 A 45 45 ASP C C 45 173.848 174.424 -0.576 1
1 447 . 12 1 1 A 45 45 ASP CA C 45 55.065 55.195 -0.130 1
1 448 . 12 1 1 A 45 45 ASP CB C 45 39.031 39.102 -0.071 1
1 449 . 12 1 1 A 45 45 ASP N N 45 121.798 119.158 2.640 1
1 450 . 12 1 1 A 46 46 LEU H H 46 7.550 7.874 -0.324 1
1 451 . 12 1 1 A 46 46 LEU HA H 46 4.990 4.838 0.152 1
1 461 . 12 1 1 A 46 46 LEU C C 46 173.536 174.171 -0.635 1
1 462 . 12 1 1 A 46 46 LEU CA C 46 51.364 51.306 0.058 1
1 463 . 12 1 1 A 46 46 LEU CB C 46 47.443 44.918 2.525 1
1 467 . 12 1 1 A 46 46 LEU N N 46 118.454 118.919 -0.465 1
1 468 . 12 1 1 A 47 47 PRO HA H 47 4.548 4.636 -0.088 1
1 475 . 12 1 1 A 47 47 PRO C C 47 178.417 177.906 0.511 1
1 476 . 12 1 1 A 47 47 PRO CA C 47 62.268 62.802 -0.534 1
1 477 . 12 1 1 A 47 47 PRO CB C 47 32.600 32.322 0.278 1
1 480 . 12 1 1 A 48 48 GLU H H 48 9.253 9.043 0.210 1
1 481 . 12 1 1 A 48 48 GLU HA H 48 3.799 4.022 -0.223 1
1 486 . 12 1 1 A 48 48 GLU C C 48 178.273 178.304 -0.031 1
1 487 . 12 1 1 A 48 48 GLU CA C 48 61.083 59.399 1.684 1
1 488 . 12 1 1 A 48 48 GLU CB C 48 28.815 29.454 -0.639 1
1 490 . 12 1 1 A 48 48 GLU N N 48 126.081 124.367 1.714 1
1 491 . 12 1 1 A 49 49 ALA H H 49 8.923 8.080 0.843 1
1 492 . 12 1 1 A 49 49 ALA HA H 49 4.128 4.192 -0.064 1
1 496 . 12 1 1 A 49 49 ALA C C 49 181.277 179.515 1.762 1
1 497 . 12 1 1 A 49 49 ALA CA C 49 55.569 55.014 0.555 1
1 498 . 12 1 1 A 49 49 ALA CB C 49 18.681 18.387 0.294 1
1 499 . 12 1 1 A 49 49 ALA N N 49 119.313 122.552 -3.239 1
1 500 . 12 1 1 A 50 50 ARG H H 50 7.417 8.097 -0.680 1
1 501 . 12 1 1 A 50 50 ARG HA H 50 4.348 4.176 0.172 1
1 508 . 12 1 1 A 50 50 ARG C C 50 179.425 178.603 0.822 1
1 509 . 12 1 1 A 50 50 ARG CA C 50 57.978 59.646 -1.668 1
1 510 . 12 1 1 A 50 50 ARG CB C 50 29.723 30.259 -0.536 1
1 513 . 12 1 1 A 50 50 ARG N N 50 114.567 117.993 -3.426 1
1 514 . 12 1 1 A 51 51 ILE H H 51 7.785 7.953 -0.168 1
1 515 . 12 1 1 A 51 51 ILE HA H 51 3.816 3.857 -0.041 1
1 525 . 12 1 1 A 51 51 ILE C C 51 178.088 178.131 -0.043 1
1 526 . 12 1 1 A 51 51 ILE CA C 51 65.848 65.359 0.489 1
1 527 . 12 1 1 A 51 51 ILE CB C 51 37.785 37.819 -0.034 1
1 531 . 12 1 1 A 51 51 ILE N N 51 121.669 121.136 0.533 1
1 532 . 12 1 1 A 52 52 GLN H H 52 8.478 8.293 0.185 1
1 533 . 12 1 1 A 52 52 GLN HA H 52 4.423 4.010 0.413 1
1 539 . 12 1 1 A 52 52 GLN C C 52 179.364 178.865 0.499 1
1 540 . 12 1 1 A 52 52 GLN CA C 52 60.232 58.902 1.330 1
1 541 . 12 1 1 A 52 52 GLN CB C 52 28.945 28.365 0.580 1
1 543 . 12 1 1 A 52 52 GLN N N 52 118.943 118.314 0.629 1
1 545 . 12 1 1 A 53 53 VAL H H 53 7.582 8.137 -0.555 1
1 546 . 12 1 1 A 53 53 VAL HA H 53 3.842 3.733 0.109 1
1 554 . 12 1 1 A 53 53 VAL C C 53 177.800 178.154 -0.354 1
1 555 . 12 1 1 A 53 53 VAL CA C 53 66.633 66.914 -0.281 1
1 556 . 12 1 1 A 53 53 VAL CB C 53 32.241 31.750 0.491 1
1 559 . 12 1 1 A 53 53 VAL N N 53 120.375 120.586 -0.211 1
1 560 . 12 1 1 A 54 54 TRP H H 54 8.390 8.337 0.053 1
1 561 . 12 1 1 A 54 54 TRP HA H 54 4.050 4.060 -0.010 1
1 570 . 12 1 1 A 54 54 TRP C C 54 180.084 178.471 1.613 1
1 571 . 12 1 1 A 54 54 TRP CA C 54 63.229 61.164 2.065 1
1 572 . 12 1 1 A 54 54 TRP CB C 54 28.726 29.442 -0.716 1
1 578 . 12 1 1 A 54 54 TRP N N 54 121.414 121.361 0.053 1
1 580 . 12 1 1 A 55 55 PHE H H 55 9.127 8.433 0.694 1
1 581 . 12 1 1 A 55 55 PHE HA H 55 3.771 4.633 -0.862 1
1 589 . 12 1 1 A 55 55 PHE C C 55 178.170 178.348 -0.178 1
1 590 . 12 1 1 A 55 55 PHE CA C 55 63.826 61.922 1.904 1
1 591 . 12 1 1 A 55 55 PHE CB C 55 39.195 38.572 0.623 1
1 597 . 12 1 1 A 55 55 PHE N N 55 118.358 117.944 0.414 1
1 598 . 12 1 1 A 56 56 SER H H 56 8.267 8.862 -0.595 1
1 599 . 12 1 1 A 56 56 SER HA H 56 4.148 4.141 0.007 1
1 602 . 12 1 1 A 56 56 SER C C 56 178.376 177.295 1.081 1
1 603 . 12 1 1 A 56 56 SER CA C 56 62.578 61.830 0.748 1
1 604 . 12 1 1 A 56 56 SER CB C 56 62.412 63.097 -0.685 1
1 605 . 12 1 1 A 56 56 SER N N 56 115.049 114.965 0.084 1
1 606 . 12 1 1 A 57 57 ASN H H 57 8.231 8.157 0.074 1
1 607 . 12 1 1 A 57 57 ASN HA H 57 4.411 4.533 -0.122 1
1 612 . 12 1 1 A 57 57 ASN C C 57 177.573 177.915 -0.342 1
1 613 . 12 1 1 A 57 57 ASN CA C 57 55.698 55.709 -0.011 1
1 614 . 12 1 1 A 57 57 ASN CB C 57 37.827 37.743 0.084 1
1 615 . 12 1 1 A 57 57 ASN N N 57 120.846 119.641 1.205 1
1 617 . 12 1 1 A 58 58 ARG H H 58 8.531 7.458 1.073 1
1 618 . 12 1 1 A 58 58 ARG HA H 58 3.533 3.635 -0.102 1
1 626 . 12 1 1 A 58 58 ARG C C 58 179.919 178.361 1.558 1
1 627 . 12 1 1 A 58 58 ARG CA C 58 56.451 59.256 -2.805 1
1 628 . 12 1 1 A 58 58 ARG CB C 58 27.981 29.439 -1.458 1
1 631 . 12 1 1 A 58 58 ARG N N 58 124.704 120.639 4.065 1
1 633 . 12 1 1 A 59 59 ARG H H 59 8.496 8.401 0.095 1
1 634 . 12 1 1 A 59 59 ARG HA H 59 4.072 4.185 -0.113 1
1 641 . 12 1 1 A 59 59 ARG C C 59 178.520 179.102 -0.582 1
1 642 . 12 1 1 A 59 59 ARG CA C 59 60.970 59.598 1.372 1
1 643 . 12 1 1 A 59 59 ARG CB C 59 31.601 30.044 1.557 1
1 646 . 12 1 1 A 59 59 ARG N N 59 120.108 118.508 1.600 1
1 647 . 12 1 1 A 60 60 ALA H H 60 7.487 7.712 -0.225 1
1 648 . 12 1 1 A 60 60 ALA HA H 60 4.197 4.105 0.092 1
1 652 . 12 1 1 A 60 60 ALA C C 60 180.475 179.524 0.951 1
1 653 . 12 1 1 A 60 60 ALA CA C 60 55.547 55.096 0.451 1
1 654 . 12 1 1 A 60 60 ALA CB C 60 17.635 18.307 -0.672 1
1 655 . 12 1 1 A 60 60 ALA N N 60 121.949 121.856 0.093 1
1 656 . 12 1 1 A 61 61 LYS H H 61 7.733 7.460 0.273 1
1 657 . 12 1 1 A 61 61 LYS HA H 61 3.927 4.011 -0.084 1
1 666 . 12 1 1 A 61 61 LYS C C 61 177.656 178.635 -0.979 1
1 667 . 12 1 1 A 61 61 LYS CA C 61 59.590 58.866 0.724 1
1 668 . 12 1 1 A 61 61 LYS CB C 61 32.903 31.910 0.993 1
1 672 . 12 1 1 A 61 61 LYS N N 61 120.311 118.523 1.788 1
1 673 . 12 1 1 A 62 62 TRP H H 62 8.235 8.247 -0.012 1
1 674 . 12 1 1 A 62 62 TRP HA H 62 4.475 4.223 0.252 1
1 683 . 12 1 1 A 62 62 TRP C C 62 178.088 178.254 -0.166 1
1 684 . 12 1 1 A 62 62 TRP CA C 62 61.043 60.145 0.898 1
1 685 . 12 1 1 A 62 62 TRP CB C 62 29.113 29.407 -0.294 1
1 691 . 12 1 1 A 62 62 TRP N N 62 120.161 121.709 -1.548 1
1 693 . 12 1 1 A 63 63 ARG H H 63 8.579 8.686 -0.107 1
1 694 . 12 1 1 A 63 63 ARG HA H 63 3.762 3.988 -0.226 1
1 701 . 12 1 1 A 63 63 ARG C C 63 179.220 178.736 0.484 1
1 702 . 12 1 1 A 63 63 ARG CA C 63 59.644 59.483 0.161 1
1 703 . 12 1 1 A 63 63 ARG CB C 63 30.498 29.964 0.534 1
1 706 . 12 1 1 A 63 63 ARG N N 63 117.951 119.367 -1.416 1
1 707 . 12 1 1 A 64 64 ARG H H 64 7.754 8.072 -0.318 1
1 708 . 12 1 1 A 64 64 ARG HA H 64 4.075 4.049 0.026 1
1 715 . 12 1 1 A 64 64 ARG C C 64 178.643 178.636 0.007 1
1 716 . 12 1 1 A 64 64 ARG CA C 64 59.313 59.056 0.257 1
1 717 . 12 1 1 A 64 64 ARG CB C 64 30.254 29.872 0.382 1
1 720 . 12 1 1 A 64 64 ARG N N 64 119.265 118.753 0.512 1
1 721 . 12 1 1 A 65 65 GLU H H 65 8.134 7.848 0.286 1
1 722 . 12 1 1 A 65 65 GLU HA H 65 3.988 4.041 -0.053 1
1 727 . 12 1 1 A 65 65 GLU C C 65 178.890 178.641 0.249 1
1 728 . 12 1 1 A 65 65 GLU CA C 65 58.891 59.084 -0.193 1
1 729 . 12 1 1 A 65 65 GLU CB C 65 29.228 29.374 -0.146 1
1 731 . 12 1 1 A 65 65 GLU N N 65 119.336 119.257 0.079 1
1 732 . 12 1 1 A 66 66 GLU H H 66 8.212 7.927 0.285 1
1 733 . 12 1 1 A 66 66 GLU HA H 66 3.804 3.705 0.099 1
1 738 . 12 1 1 A 66 66 GLU C C 66 178.273 178.474 -0.201 1
1 739 . 12 1 1 A 66 66 GLU CA C 66 58.714 58.684 0.030 1
1 740 . 12 1 1 A 66 66 GLU CB C 66 29.493 28.712 0.781 1
1 742 . 12 1 1 A 66 66 GLU N N 66 121.135 120.020 1.115 1
1 743 . 12 1 1 A 67 67 LYS H H 67 7.663 7.545 0.118 1
1 744 . 12 1 1 A 67 67 LYS HA H 67 4.044 4.021 0.023 1
1 752 . 12 1 1 A 67 67 LYS C C 67 178.787 179.041 -0.254 1
1 753 . 12 1 1 A 67 67 LYS CA C 67 58.801 59.162 -0.361 1
1 754 . 12 1 1 A 67 67 LYS CB C 67 32.239 32.265 -0.026 1
1 758 . 12 1 1 A 67 67 LYS N N 67 119.200 119.723 -0.523 1
1 759 . 12 1 1 A 68 68 LEU H H 68 7.631 7.980 -0.349 1
1 760 . 12 1 1 A 68 68 LEU HA H 68 4.155 3.904 0.251 1
1 770 . 12 1 1 A 68 68 LEU C C 68 179.055 179.062 -0.007 1
1 771 . 12 1 1 A 68 68 LEU CA C 68 56.903 57.841 -0.938 1
1 772 . 12 1 1 A 68 68 LEU CB C 68 41.850 41.608 0.242 1
1 776 . 12 1 1 A 68 68 LEU N N 68 118.976 119.615 -0.639 1
1 777 . 12 1 1 A 69 69 ARG H H 69 7.900 8.343 -0.443 1
1 778 . 12 1 1 A 69 69 ARG HA H 69 4.089 3.955 0.134 1
1 785 . 12 1 1 A 69 69 ARG C C 69 177.985 178.069 -0.084 1
1 786 . 12 1 1 A 69 69 ARG CA C 69 58.551 58.994 -0.443 1
1 787 . 12 1 1 A 69 69 ARG CB C 69 30.430 29.767 0.663 1
1 790 . 12 1 1 A 69 69 ARG N N 69 119.387 120.612 -1.225 1
1 791 . 12 1 1 A 70 70 ASN H H 70 8.088 8.210 -0.122 1
1 792 . 12 1 1 A 70 70 ASN HA H 70 4.633 4.481 0.152 1
1 797 . 12 1 1 A 70 70 ASN C C 70 176.194 176.886 -0.692 1
1 798 . 12 1 1 A 70 70 ASN CA C 70 54.463 55.459 -0.996 1
1 799 . 12 1 1 A 70 70 ASN CB C 70 38.805 38.395 0.410 1
1 800 . 12 1 1 A 70 70 ASN N N 70 117.289 117.544 -0.255 1
1 802 . 12 1 1 A 71 71 GLN H H 71 8.017 8.144 -0.127 1
1 803 . 12 1 1 A 71 71 GLN HA H 71 4.263 4.205 0.058 1
1 810 . 12 1 1 A 71 71 GLN C C 71 176.750 177.039 -0.289 1
1 811 . 12 1 1 A 71 71 GLN CA C 71 57.031 57.604 -0.573 1
1 812 . 12 1 1 A 71 71 GLN CB C 71 29.122 28.211 0.911 1
1 814 . 12 1 1 A 71 71 GLN N N 71 119.838 117.605 2.233 1
1 816 . 12 1 1 A 72 72 ARG H H 72 8.125 7.647 0.478 1
1 817 . 12 1 1 A 72 72 ARG HA H 72 4.312 4.483 -0.171 1
1 823 . 12 1 1 A 72 72 ARG C C 72 176.729 175.875 0.854 1
1 824 . 12 1 1 A 72 72 ARG CA C 72 56.840 55.441 1.399 1
1 825 . 12 1 1 A 72 72 ARG CB C 72 30.500 30.979 -0.479 1
1 828 . 12 1 1 A 72 72 ARG N N 72 120.534 117.307 3.227 1
1 829 . 12 1 1 A 73 73 ARG H H 73 8.148 7.386 0.762 1
1 830 . 12 1 1 A 73 73 ARG HA H 73 4.412 4.034 0.378 1
1 836 . 12 1 1 A 73 73 ARG C C 73 176.552 175.666 0.886 1
1 837 . 12 1 1 A 73 73 ARG CA C 73 56.445 56.625 -0.180 1
1 838 . 12 1 1 A 73 73 ARG CB C 73 30.676 30.414 0.262 1
1 841 . 12 1 1 A 73 73 ARG N N 73 121.356 122.692 -1.336 1
1 842 . 12 1 1 A 74 74 GLN HA H 74 4.334 4.187 0.147 1
1 846 . 12 1 1 A 74 74 GLN CA C 74 56.127 56.203 -0.076 1
1 847 . 12 1 1 A 74 74 GLN CB C 74 29.362 28.914 0.448 1
1 849 . 12 1 1 A 76 76 GLY HA2 H 76 4.168 4.079 0.089 1
1 850 . 12 1 1 A 76 76 GLY HA3 H 76 4.168 4.079 0.089 1
1 851 . 12 1 1 A 76 76 GLY CA C 76 44.736 44.733 0.003 1
1 852 . 12 1 1 A 77 77 PRO HA H 77 4.502 4.491 0.011 1
1 859 . 12 1 1 A 77 77 PRO CA C 77 63.330 63.972 -0.642 1
1 860 . 12 1 1 A 77 77 PRO CB C 77 32.217 31.823 0.394 1
1 863 . 12 1 1 A 79 79 SER HA H 79 4.524 5.126 -0.602 1
1 865 . 12 1 1 A 79 79 SER C C 79 173.931 174.143 -0.212 1
1 866 . 12 1 1 A 79 79 SER CA C 79 58.409 57.616 0.793 1
1 867 . 12 1 1 A 79 79 SER CB C 79 64.147 66.996 -2.849 1
1 1 . 13 1 1 A 8 8 GLN H H 8 8.925 8.565 0.360 1
1 2 . 13 1 1 A 8 8 GLN HA H 8 4.398 4.548 -0.150 1
1 8 . 13 1 1 A 8 8 GLN CA C 8 56.051 57.312 -1.261 1
1 9 . 13 1 1 A 8 8 GLN CB C 8 29.491 30.527 -1.036 1
1 12 . 13 1 1 A 12 12 THR HA H 12 4.352 4.457 -0.105 1
1 17 . 13 1 1 A 12 12 THR CA C 12 61.819 63.785 -1.966 1
1 18 . 13 1 1 A 12 12 THR CB C 12 69.783 70.103 -0.320 1
1 20 . 13 1 1 A 13 13 SER HA H 13 4.465 3.948 0.517 1
1 23 . 13 1 1 A 13 13 SER C C 13 173.828 172.511 1.317 1
1 24 . 13 1 1 A 13 13 SER CA C 13 57.973 59.276 -1.303 1
1 25 . 13 1 1 A 13 13 SER CB C 13 64.246 60.723 3.523 1
1 26 . 13 1 1 A 14 14 PHE H H 14 8.322 7.734 0.588 1
1 27 . 13 1 1 A 14 14 PHE HA H 14 5.035 5.145 -0.110 1
1 35 . 13 1 1 A 14 14 PHE C C 14 176.750 174.865 1.885 1
1 36 . 13 1 1 A 14 14 PHE CA C 14 56.624 56.678 -0.054 1
1 37 . 13 1 1 A 14 14 PHE CB C 14 41.174 43.725 -2.551 1
1 43 . 13 1 1 A 14 14 PHE N N 14 121.036 119.525 1.511 1
1 44 . 13 1 1 A 15 15 THR H H 15 8.944 8.393 0.551 1
1 45 . 13 1 1 A 15 15 THR HA H 15 4.529 5.000 -0.471 1
1 50 . 13 1 1 A 15 15 THR C C 15 175.433 175.450 -0.017 1
1 51 . 13 1 1 A 15 15 THR CA C 15 60.644 59.711 0.933 1
1 52 . 13 1 1 A 15 15 THR CB C 15 70.784 72.085 -1.301 1
1 54 . 13 1 1 A 15 15 THR N N 15 113.618 113.309 0.309 1
1 55 . 13 1 1 A 16 16 GLN H H 16 9.086 9.116 -0.030 1
1 56 . 13 1 1 A 16 16 GLN HA H 16 4.016 4.066 -0.050 1
1 63 . 13 1 1 A 16 16 GLN C C 16 178.149 177.640 0.509 1
1 64 . 13 1 1 A 16 16 GLN CA C 16 59.283 59.230 0.053 1
1 65 . 13 1 1 A 16 16 GLN CB C 16 27.943 28.201 -0.258 1
1 67 . 13 1 1 A 16 16 GLN N N 16 121.415 121.698 -0.283 1
1 69 . 13 1 1 A 17 17 GLU H H 17 8.837 8.271 0.566 1
1 70 . 13 1 1 A 17 17 GLU HA H 17 4.048 4.127 -0.079 1
1 75 . 13 1 1 A 17 17 GLU C C 17 180.248 178.337 1.911 1
1 76 . 13 1 1 A 17 17 GLU CA C 17 60.156 59.078 1.078 1
1 77 . 13 1 1 A 17 17 GLU CB C 17 29.125 29.268 -0.143 1
1 79 . 13 1 1 A 17 17 GLU N N 17 117.930 119.344 -1.414 1
1 80 . 13 1 1 A 18 18 GLN H H 18 7.738 7.886 -0.148 1
1 81 . 13 1 1 A 18 18 GLN HA H 18 3.809 4.266 -0.457 1
1 88 . 13 1 1 A 18 18 GLN C C 18 177.079 178.306 -1.227 1
1 89 . 13 1 1 A 18 18 GLN CA C 18 59.358 57.773 1.585 1
1 90 . 13 1 1 A 18 18 GLN CB C 18 27.338 29.278 -1.940 1
1 92 . 13 1 1 A 18 18 GLN N N 18 119.421 118.542 0.879 1
1 94 . 13 1 1 A 19 19 ILE H H 19 8.265 8.552 -0.287 1
1 95 . 13 1 1 A 19 19 ILE HA H 19 3.240 3.717 -0.477 1
1 105 . 13 1 1 A 19 19 ILE C C 19 177.409 177.911 -0.502 1
1 106 . 13 1 1 A 19 19 ILE CA C 19 64.693 65.334 -0.641 1
1 107 . 13 1 1 A 19 19 ILE CB C 19 37.544 37.527 0.017 1
1 111 . 13 1 1 A 19 19 ILE N N 19 118.326 121.167 -2.841 1
1 112 . 13 1 1 A 20 20 GLU H H 20 8.304 8.577 -0.273 1
1 113 . 13 1 1 A 20 20 GLU HA H 20 3.916 4.033 -0.117 1
1 118 . 13 1 1 A 20 20 GLU C C 20 179.281 178.318 0.963 1
1 119 . 13 1 1 A 20 20 GLU CA C 20 59.674 59.154 0.520 1
1 120 . 13 1 1 A 20 20 GLU CB C 20 29.369 29.152 0.217 1
1 122 . 13 1 1 A 20 20 GLU N N 20 117.948 120.281 -2.333 1
1 123 . 13 1 1 A 21 21 ALA H H 21 7.335 7.797 -0.462 1
1 124 . 13 1 1 A 21 21 ALA HA H 21 4.095 4.068 0.027 1
1 128 . 13 1 1 A 21 21 ALA C C 21 180.825 179.971 0.854 1
1 129 . 13 1 1 A 21 21 ALA CA C 21 54.885 54.247 0.638 1
1 130 . 13 1 1 A 21 21 ALA CB C 21 19.190 18.500 0.690 1
1 131 . 13 1 1 A 21 21 ALA N N 21 120.460 122.252 -1.792 1
1 132 . 13 1 1 A 22 22 LEU H H 22 8.100 8.178 -0.078 1
1 133 . 13 1 1 A 22 22 LEU HA H 22 3.490 3.599 -0.109 1
1 143 . 13 1 1 A 22 22 LEU C C 22 177.861 178.574 -0.713 1
1 144 . 13 1 1 A 22 22 LEU CA C 22 58.530 56.880 1.650 1
1 145 . 13 1 1 A 22 22 LEU CB C 22 37.691 40.095 -2.404 1
1 149 . 13 1 1 A 22 22 LEU N N 22 122.412 119.986 2.426 1
1 150 . 13 1 1 A 23 23 GLU H H 23 8.534 8.064 0.470 1
1 151 . 13 1 1 A 23 23 GLU HA H 23 4.360 4.127 0.233 1
1 156 . 13 1 1 A 23 23 GLU C C 23 180.413 179.293 1.120 1
1 157 . 13 1 1 A 23 23 GLU CA C 23 59.072 59.487 -0.415 1
1 158 . 13 1 1 A 23 23 GLU CB C 23 28.905 30.022 -1.117 1
1 160 . 13 1 1 A 23 23 GLU N N 23 118.309 119.934 -1.625 1
1 161 . 13 1 1 A 24 24 LYS H H 24 7.898 7.820 0.078 1
1 162 . 13 1 1 A 24 24 LYS HA H 24 4.170 4.017 0.153 1
1 170 . 13 1 1 A 24 24 LYS C C 24 179.672 179.137 0.535 1
1 171 . 13 1 1 A 24 24 LYS CA C 24 59.144 59.958 -0.814 1
1 172 . 13 1 1 A 24 24 LYS CB C 24 32.082 32.463 -0.381 1
1 176 . 13 1 1 A 24 24 LYS N N 24 119.449 121.144 -1.695 1
1 177 . 13 1 1 A 25 25 GLU H H 25 7.887 7.829 0.058 1
1 178 . 13 1 1 A 25 25 GLU HA H 25 4.596 4.068 0.528 1
1 183 . 13 1 1 A 25 25 GLU C C 25 177.923 179.277 -1.354 1
1 184 . 13 1 1 A 25 25 GLU CA C 25 58.799 59.396 -0.597 1
1 185 . 13 1 1 A 25 25 GLU CB C 25 28.787 29.355 -0.568 1
1 187 . 13 1 1 A 25 25 GLU N N 25 121.941 119.073 2.868 1
1 188 . 13 1 1 A 26 26 PHE H H 26 8.843 8.333 0.510 1
1 189 . 13 1 1 A 26 26 PHE HA H 26 4.865 4.575 0.290 1
1 197 . 13 1 1 A 26 26 PHE C C 26 176.380 177.792 -1.412 1
1 198 . 13 1 1 A 26 26 PHE CA C 26 60.798 60.947 -0.149 1
1 199 . 13 1 1 A 26 26 PHE CB C 26 38.969 39.019 -0.050 1
1 205 . 13 1 1 A 26 26 PHE N N 26 121.919 120.674 1.245 1
1 206 . 13 1 1 A 27 27 GLU H H 27 7.839 8.589 -0.750 1
1 207 . 13 1 1 A 27 27 GLU HA H 27 3.952 4.084 -0.132 1
1 212 . 13 1 1 A 27 27 GLU C C 27 178.335 178.552 -0.217 1
1 213 . 13 1 1 A 27 27 GLU CA C 27 58.650 60.473 -1.823 1
1 214 . 13 1 1 A 27 27 GLU CB C 27 29.772 29.320 0.452 1
1 216 . 13 1 1 A 27 27 GLU N N 27 115.144 117.441 -2.297 1
1 217 . 13 1 1 A 28 28 ARG H H 28 7.573 7.375 0.198 1
1 218 . 13 1 1 A 28 28 ARG HA H 28 4.109 4.176 -0.067 1
1 225 . 13 1 1 A 28 28 ARG C C 28 177.059 175.778 1.281 1
1 226 . 13 1 1 A 28 28 ARG CA C 28 58.740 57.908 0.832 1
1 227 . 13 1 1 A 28 28 ARG CB C 28 30.995 31.754 -0.759 1
1 230 . 13 1 1 A 28 28 ARG N N 28 120.497 119.079 1.418 1
1 231 . 13 1 1 A 29 29 THR H H 29 8.786 7.832 0.954 1
1 232 . 13 1 1 A 29 29 THR HA H 29 4.291 4.502 -0.211 1
1 237 . 13 1 1 A 29 29 THR C C 29 170.391 173.347 -2.956 1
1 238 . 13 1 1 A 29 29 THR CA C 29 59.674 60.439 -0.765 1
1 239 . 13 1 1 A 29 29 THR CB C 29 68.880 71.466 -2.586 1
1 241 . 13 1 1 A 29 29 THR N N 29 114.915 111.736 3.179 1
1 242 . 13 1 1 A 30 30 HIS H H 30 8.292 8.428 -0.136 1
1 243 . 13 1 1 A 30 30 HIS HA H 30 4.420 3.540 0.880 1
1 248 . 13 1 1 A 30 30 HIS C C 30 174.569 174.365 0.204 1
1 249 . 13 1 1 A 30 30 HIS CA C 30 54.798 57.154 -2.356 1
1 250 . 13 1 1 A 30 30 HIS CB C 30 30.629 29.051 1.578 1
1 253 . 13 1 1 A 30 30 HIS N N 30 122.126 125.051 -2.925 1
1 254 . 13 1 1 A 31 31 TYR H H 31 8.179 7.225 0.954 1
1 255 . 13 1 1 A 31 31 TYR HA H 31 4.731 4.903 -0.172 1
1 262 . 13 1 1 A 31 31 TYR C C 31 172.551 173.185 -0.634 1
1 263 . 13 1 1 A 31 31 TYR CA C 31 55.259 54.822 0.437 1
1 264 . 13 1 1 A 31 31 TYR CB C 31 39.362 38.391 0.971 1
1 269 . 13 1 1 A 31 31 TYR N N 31 115.063 117.899 -2.836 1
1 270 . 13 1 1 A 32 32 PRO HA H 32 4.256 4.548 -0.292 1
1 277 . 13 1 1 A 32 32 PRO C C 32 177.388 176.953 0.435 1
1 278 . 13 1 1 A 32 32 PRO CA C 32 62.903 62.318 0.585 1
1 279 . 13 1 1 A 32 32 PRO CB C 32 30.896 30.683 0.213 1
1 282 . 13 1 1 A 33 33 ASP H H 33 8.457 8.637 -0.180 1
1 283 . 13 1 1 A 33 33 ASP HA H 33 4.495 4.642 -0.147 1
1 286 . 13 1 1 A 33 33 ASP C C 33 175.824 177.455 -1.631 1
1 287 . 13 1 1 A 33 33 ASP CA C 33 52.776 54.442 -1.666 1
1 288 . 13 1 1 A 33 33 ASP CB C 33 41.174 41.853 -0.679 1
1 289 . 13 1 1 A 33 33 ASP N N 33 124.636 122.701 1.935 1
1 290 . 13 1 1 A 34 34 VAL H H 34 8.331 8.448 -0.117 1
1 291 . 13 1 1 A 34 34 VAL HA H 34 3.488 3.731 -0.243 1
1 299 . 13 1 1 A 34 34 VAL C C 34 176.133 177.389 -1.256 1
1 300 . 13 1 1 A 34 34 VAL CA C 34 66.176 65.349 0.827 1
1 301 . 13 1 1 A 34 34 VAL CB C 34 31.401 31.458 -0.057 1
1 304 . 13 1 1 A 34 34 VAL N N 34 117.908 123.824 -5.916 1
1 305 . 13 1 1 A 35 35 PHE H H 35 7.127 7.714 -0.587 1
1 306 . 13 1 1 A 35 35 PHE HA H 35 4.339 4.132 0.207 1
1 314 . 13 1 1 A 35 35 PHE C C 35 178.808 177.281 1.527 1
1 315 . 13 1 1 A 35 35 PHE CA C 35 60.335 61.517 -1.182 1
1 316 . 13 1 1 A 35 35 PHE CB C 35 37.927 37.744 0.183 1
1 322 . 13 1 1 A 35 35 PHE N N 35 120.263 119.930 0.333 1
1 323 . 13 1 1 A 36 36 ALA H H 36 8.428 8.122 0.306 1
1 324 . 13 1 1 A 36 36 ALA HA H 36 4.094 4.330 -0.236 1
1 328 . 13 1 1 A 36 36 ALA C C 36 181.812 179.457 2.355 1
1 329 . 13 1 1 A 36 36 ALA CA C 36 55.062 54.543 0.519 1
1 330 . 13 1 1 A 36 36 ALA CB C 36 18.484 19.136 -0.652 1
1 331 . 13 1 1 A 36 36 ALA N N 36 123.569 121.783 1.786 1
1 332 . 13 1 1 A 37 37 ARG H H 37 8.695 8.328 0.367 1
1 333 . 13 1 1 A 37 37 ARG HA H 37 3.920 3.991 -0.071 1
1 341 . 13 1 1 A 37 37 ARG C C 37 178.232 178.939 -0.707 1
1 342 . 13 1 1 A 37 37 ARG CA C 37 61.034 59.832 1.202 1
1 343 . 13 1 1 A 37 37 ARG CB C 37 31.263 29.902 1.361 1
1 346 . 13 1 1 A 37 37 ARG N N 37 117.907 117.727 0.180 1
1 348 . 13 1 1 A 38 38 GLU H H 38 8.531 8.215 0.316 1
1 349 . 13 1 1 A 38 38 GLU HA H 38 4.051 4.078 -0.027 1
1 354 . 13 1 1 A 38 38 GLU C C 38 179.940 179.319 0.621 1
1 355 . 13 1 1 A 38 38 GLU CA C 38 59.765 59.246 0.519 1
1 356 . 13 1 1 A 38 38 GLU CB C 38 29.456 29.289 0.167 1
1 358 . 13 1 1 A 38 38 GLU N N 38 119.688 119.731 -0.043 1
1 359 . 13 1 1 A 39 39 ARG H H 39 8.096 8.078 0.018 1
1 360 . 13 1 1 A 39 39 ARG HA H 39 4.130 4.010 0.120 1
1 366 . 13 1 1 A 39 39 ARG C C 39 179.425 178.683 0.742 1
1 367 . 13 1 1 A 39 39 ARG CA C 39 59.368 58.921 0.447 1
1 368 . 13 1 1 A 39 39 ARG CB C 39 30.300 29.966 0.334 1
1 371 . 13 1 1 A 39 39 ARG N N 39 120.527 120.306 0.221 1
1 372 . 13 1 1 A 40 40 LEU H H 40 7.933 8.074 -0.141 1
1 373 . 13 1 1 A 40 40 LEU HA H 40 4.121 4.053 0.068 1
1 383 . 13 1 1 A 40 40 LEU C C 40 177.861 178.264 -0.403 1
1 384 . 13 1 1 A 40 40 LEU CA C 40 57.807 57.619 0.188 1
1 385 . 13 1 1 A 40 40 LEU CB C 40 42.446 41.116 1.330 1
1 389 . 13 1 1 A 40 40 LEU N N 40 121.371 121.522 -0.151 1
1 390 . 13 1 1 A 41 41 ALA H H 41 8.537 8.567 -0.030 1
1 391 . 13 1 1 A 41 41 ALA HA H 41 4.102 3.969 0.133 1
1 395 . 13 1 1 A 41 41 ALA C C 41 180.372 179.270 1.102 1
1 396 . 13 1 1 A 41 41 ALA CA C 41 56.060 55.455 0.605 1
1 397 . 13 1 1 A 41 41 ALA CB C 41 18.892 18.253 0.639 1
1 398 . 13 1 1 A 41 41 ALA N N 41 121.892 120.438 1.454 1
1 399 . 13 1 1 A 42 42 ALA H H 42 7.400 7.417 -0.017 1
1 400 . 13 1 1 A 42 42 ALA HA H 42 4.242 4.193 0.049 1
1 404 . 13 1 1 A 42 42 ALA C C 42 179.631 180.116 -0.485 1
1 405 . 13 1 1 A 42 42 ALA CA C 42 53.951 53.767 0.184 1
1 406 . 13 1 1 A 42 42 ALA CB C 42 18.484 18.880 -0.396 1
1 407 . 13 1 1 A 42 42 ALA N N 42 116.807 119.807 -3.000 1
1 408 . 13 1 1 A 43 43 LYS H H 43 7.781 8.262 -0.481 1
1 409 . 13 1 1 A 43 43 LYS HA H 43 4.229 4.069 0.160 1
1 417 . 13 1 1 A 43 43 LYS C C 43 178.746 177.976 0.770 1
1 418 . 13 1 1 A 43 43 LYS CA C 43 58.710 58.679 0.031 1
1 419 . 13 1 1 A 43 43 LYS CB C 43 33.610 32.763 0.847 1
1 423 . 13 1 1 A 43 43 LYS N N 43 118.433 118.118 0.315 1
1 424 . 13 1 1 A 44 44 ILE H H 44 8.094 7.597 0.497 1
1 425 . 13 1 1 A 44 44 ILE HA H 44 4.655 4.365 0.290 1
1 435 . 13 1 1 A 44 44 ILE C C 44 175.042 175.533 -0.491 1
1 436 . 13 1 1 A 44 44 ILE CA C 44 60.606 59.907 0.699 1
1 437 . 13 1 1 A 44 44 ILE CB C 44 38.341 37.811 0.530 1
1 441 . 13 1 1 A 44 44 ILE N N 44 108.112 111.388 -3.276 1
1 442 . 13 1 1 A 45 45 ASP H H 45 7.811 8.153 -0.342 1
1 443 . 13 1 1 A 45 45 ASP HA H 45 4.333 4.416 -0.083 1
1 446 . 13 1 1 A 45 45 ASP C C 45 173.848 174.417 -0.569 1
1 447 . 13 1 1 A 45 45 ASP CA C 45 55.065 54.941 0.124 1
1 448 . 13 1 1 A 45 45 ASP CB C 45 39.031 39.525 -0.494 1
1 449 . 13 1 1 A 45 45 ASP N N 45 121.798 122.013 -0.215 1
1 450 . 13 1 1 A 46 46 LEU H H 46 7.550 7.969 -0.419 1
1 451 . 13 1 1 A 46 46 LEU HA H 46 4.990 4.871 0.119 1
1 461 . 13 1 1 A 46 46 LEU C C 46 173.536 174.198 -0.662 1
1 462 . 13 1 1 A 46 46 LEU CA C 46 51.364 51.317 0.047 1
1 463 . 13 1 1 A 46 46 LEU CB C 46 47.443 44.965 2.478 1
1 467 . 13 1 1 A 46 46 LEU N N 46 118.454 118.712 -0.258 1
1 468 . 13 1 1 A 47 47 PRO HA H 47 4.548 4.712 -0.164 1
1 475 . 13 1 1 A 47 47 PRO C C 47 178.417 177.869 0.548 1
1 476 . 13 1 1 A 47 47 PRO CA C 47 62.268 62.852 -0.584 1
1 477 . 13 1 1 A 47 47 PRO CB C 47 32.600 32.066 0.534 1
1 480 . 13 1 1 A 48 48 GLU H H 48 9.253 9.063 0.190 1
1 481 . 13 1 1 A 48 48 GLU HA H 48 3.799 4.000 -0.201 1
1 486 . 13 1 1 A 48 48 GLU C C 48 178.273 178.110 0.163 1
1 487 . 13 1 1 A 48 48 GLU CA C 48 61.083 59.673 1.410 1
1 488 . 13 1 1 A 48 48 GLU CB C 48 28.815 29.435 -0.620 1
1 490 . 13 1 1 A 48 48 GLU N N 48 126.081 124.568 1.513 1
1 491 . 13 1 1 A 49 49 ALA H H 49 8.923 8.280 0.643 1
1 492 . 13 1 1 A 49 49 ALA HA H 49 4.128 4.102 0.026 1
1 496 . 13 1 1 A 49 49 ALA C C 49 181.277 179.419 1.858 1
1 497 . 13 1 1 A 49 49 ALA CA C 49 55.569 55.216 0.353 1
1 498 . 13 1 1 A 49 49 ALA CB C 49 18.681 18.206 0.475 1
1 499 . 13 1 1 A 49 49 ALA N N 49 119.313 121.798 -2.485 1
1 500 . 13 1 1 A 50 50 ARG H H 50 7.417 8.292 -0.875 1
1 501 . 13 1 1 A 50 50 ARG HA H 50 4.348 4.181 0.167 1
1 508 . 13 1 1 A 50 50 ARG C C 50 179.425 178.591 0.834 1
1 509 . 13 1 1 A 50 50 ARG CA C 50 57.978 59.740 -1.762 1
1 510 . 13 1 1 A 50 50 ARG CB C 50 29.723 30.217 -0.494 1
1 513 . 13 1 1 A 50 50 ARG N N 50 114.567 117.991 -3.424 1
1 514 . 13 1 1 A 51 51 ILE H H 51 7.785 7.938 -0.153 1
1 515 . 13 1 1 A 51 51 ILE HA H 51 3.816 3.792 0.024 1
1 525 . 13 1 1 A 51 51 ILE C C 51 178.088 178.248 -0.160 1
1 526 . 13 1 1 A 51 51 ILE CA C 51 65.848 65.406 0.442 1
1 527 . 13 1 1 A 51 51 ILE CB C 51 37.785 37.688 0.097 1
1 531 . 13 1 1 A 51 51 ILE N N 51 121.669 120.595 1.074 1
1 532 . 13 1 1 A 52 52 GLN H H 52 8.478 7.749 0.729 1
1 533 . 13 1 1 A 52 52 GLN HA H 52 4.423 4.052 0.371 1
1 539 . 13 1 1 A 52 52 GLN C C 52 179.364 178.716 0.648 1
1 540 . 13 1 1 A 52 52 GLN CA C 52 60.232 58.732 1.500 1
1 541 . 13 1 1 A 52 52 GLN CB C 52 28.945 28.671 0.274 1
1 543 . 13 1 1 A 52 52 GLN N N 52 118.943 118.761 0.182 1
1 545 . 13 1 1 A 53 53 VAL H H 53 7.582 7.839 -0.257 1
1 546 . 13 1 1 A 53 53 VAL HA H 53 3.842 3.810 0.032 1
1 554 . 13 1 1 A 53 53 VAL C C 53 177.800 178.239 -0.439 1
1 555 . 13 1 1 A 53 53 VAL CA C 53 66.633 66.824 -0.191 1
1 556 . 13 1 1 A 53 53 VAL CB C 53 32.241 31.822 0.419 1
1 559 . 13 1 1 A 53 53 VAL N N 53 120.375 119.981 0.394 1
1 560 . 13 1 1 A 54 54 TRP H H 54 8.390 8.277 0.113 1
1 561 . 13 1 1 A 54 54 TRP HA H 54 4.050 4.251 -0.201 1
1 570 . 13 1 1 A 54 54 TRP C C 54 180.084 178.401 1.683 1
1 571 . 13 1 1 A 54 54 TRP CA C 54 63.229 61.163 2.066 1
1 572 . 13 1 1 A 54 54 TRP CB C 54 28.726 29.581 -0.855 1
1 578 . 13 1 1 A 54 54 TRP N N 54 121.414 121.425 -0.011 1
1 580 . 13 1 1 A 55 55 PHE H H 55 9.127 8.366 0.761 1
1 581 . 13 1 1 A 55 55 PHE HA H 55 3.771 4.718 -0.947 1
1 589 . 13 1 1 A 55 55 PHE C C 55 178.170 178.453 -0.283 1
1 590 . 13 1 1 A 55 55 PHE CA C 55 63.826 62.094 1.732 1
1 591 . 13 1 1 A 55 55 PHE CB C 55 39.195 38.839 0.356 1
1 597 . 13 1 1 A 55 55 PHE N N 55 118.358 116.864 1.494 1
1 598 . 13 1 1 A 56 56 SER H H 56 8.267 8.920 -0.653 1
1 599 . 13 1 1 A 56 56 SER HA H 56 4.148 4.148 0.000 1
1 602 . 13 1 1 A 56 56 SER C C 56 178.376 177.337 1.039 1
1 603 . 13 1 1 A 56 56 SER CA C 56 62.578 61.935 0.643 1
1 604 . 13 1 1 A 56 56 SER CB C 56 62.412 63.232 -0.820 1
1 605 . 13 1 1 A 56 56 SER N N 56 115.049 115.638 -0.589 1
1 606 . 13 1 1 A 57 57 ASN H H 57 8.231 8.389 -0.158 1
1 607 . 13 1 1 A 57 57 ASN HA H 57 4.411 4.469 -0.058 1
1 612 . 13 1 1 A 57 57 ASN C C 57 177.573 177.520 0.053 1
1 613 . 13 1 1 A 57 57 ASN CA C 57 55.698 56.232 -0.534 1
1 614 . 13 1 1 A 57 57 ASN CB C 57 37.827 37.536 0.291 1
1 615 . 13 1 1 A 57 57 ASN N N 57 120.846 120.041 0.805 1
1 617 . 13 1 1 A 58 58 ARG H H 58 8.531 7.498 1.033 1
1 618 . 13 1 1 A 58 58 ARG HA H 58 3.533 3.559 -0.026 1
1 626 . 13 1 1 A 58 58 ARG C C 58 179.919 178.310 1.609 1
1 627 . 13 1 1 A 58 58 ARG CA C 58 56.451 59.442 -2.991 1
1 628 . 13 1 1 A 58 58 ARG CB C 58 27.981 29.521 -1.540 1
1 631 . 13 1 1 A 58 58 ARG N N 58 124.704 120.405 4.299 1
1 633 . 13 1 1 A 59 59 ARG H H 59 8.496 8.278 0.218 1
1 634 . 13 1 1 A 59 59 ARG HA H 59 4.072 4.284 -0.212 1
1 641 . 13 1 1 A 59 59 ARG C C 59 178.520 179.198 -0.678 1
1 642 . 13 1 1 A 59 59 ARG CA C 59 60.970 59.679 1.291 1
1 643 . 13 1 1 A 59 59 ARG CB C 59 31.601 29.996 1.605 1
1 646 . 13 1 1 A 59 59 ARG N N 59 120.108 117.906 2.202 1
1 647 . 13 1 1 A 60 60 ALA H H 60 7.487 8.000 -0.513 1
1 648 . 13 1 1 A 60 60 ALA HA H 60 4.197 4.105 0.092 1
1 652 . 13 1 1 A 60 60 ALA C C 60 180.475 179.214 1.261 1
1 653 . 13 1 1 A 60 60 ALA CA C 60 55.547 55.383 0.164 1
1 654 . 13 1 1 A 60 60 ALA CB C 60 17.635 18.317 -0.682 1
1 655 . 13 1 1 A 60 60 ALA N N 60 121.949 121.972 -0.023 1
1 656 . 13 1 1 A 61 61 LYS H H 61 7.733 7.736 -0.003 1
1 657 . 13 1 1 A 61 61 LYS HA H 61 3.927 4.011 -0.084 1
1 666 . 13 1 1 A 61 61 LYS C C 61 177.656 179.050 -1.394 1
1 667 . 13 1 1 A 61 61 LYS CA C 61 59.590 59.123 0.467 1
1 668 . 13 1 1 A 61 61 LYS CB C 61 32.903 31.858 1.045 1
1 672 . 13 1 1 A 61 61 LYS N N 61 120.311 118.659 1.652 1
1 673 . 13 1 1 A 62 62 TRP H H 62 8.235 8.363 -0.128 1
1 674 . 13 1 1 A 62 62 TRP HA H 62 4.475 4.258 0.217 1
1 683 . 13 1 1 A 62 62 TRP C C 62 178.088 178.396 -0.308 1
1 684 . 13 1 1 A 62 62 TRP CA C 62 61.043 60.504 0.539 1
1 685 . 13 1 1 A 62 62 TRP CB C 62 29.113 29.576 -0.463 1
1 691 . 13 1 1 A 62 62 TRP N N 62 120.161 121.984 -1.823 1
1 693 . 13 1 1 A 63 63 ARG H H 63 8.579 8.818 -0.239 1
1 694 . 13 1 1 A 63 63 ARG HA H 63 3.762 3.922 -0.160 1
1 701 . 13 1 1 A 63 63 ARG C C 63 179.220 178.654 0.566 1
1 702 . 13 1 1 A 63 63 ARG CA C 63 59.644 59.502 0.142 1
1 703 . 13 1 1 A 63 63 ARG CB C 63 30.498 30.383 0.115 1
1 706 . 13 1 1 A 63 63 ARG N N 63 117.951 118.687 -0.736 1
1 707 . 13 1 1 A 64 64 ARG H H 64 7.754 8.258 -0.504 1
1 708 . 13 1 1 A 64 64 ARG HA H 64 4.075 4.021 0.054 1
1 715 . 13 1 1 A 64 64 ARG C C 64 178.643 178.598 0.045 1
1 716 . 13 1 1 A 64 64 ARG CA C 64 59.313 59.069 0.244 1
1 717 . 13 1 1 A 64 64 ARG CB C 64 30.254 30.079 0.175 1
1 720 . 13 1 1 A 64 64 ARG N N 64 119.265 118.341 0.924 1
1 721 . 13 1 1 A 65 65 GLU H H 65 8.134 7.901 0.233 1
1 722 . 13 1 1 A 65 65 GLU HA H 65 3.988 3.997 -0.009 1
1 727 . 13 1 1 A 65 65 GLU C C 65 178.890 179.011 -0.121 1
1 728 . 13 1 1 A 65 65 GLU CA C 65 58.891 59.006 -0.115 1
1 729 . 13 1 1 A 65 65 GLU CB C 65 29.228 29.084 0.144 1
1 731 . 13 1 1 A 65 65 GLU N N 65 119.336 119.461 -0.125 1
1 732 . 13 1 1 A 66 66 GLU H H 66 8.212 8.187 0.025 1
1 733 . 13 1 1 A 66 66 GLU HA H 66 3.804 3.726 0.078 1
1 738 . 13 1 1 A 66 66 GLU C C 66 178.273 178.665 -0.392 1
1 739 . 13 1 1 A 66 66 GLU CA C 66 58.714 59.117 -0.403 1
1 740 . 13 1 1 A 66 66 GLU CB C 66 29.493 28.804 0.689 1
1 742 . 13 1 1 A 66 66 GLU N N 66 121.135 119.723 1.412 1
1 743 . 13 1 1 A 67 67 LYS H H 67 7.663 7.428 0.235 1
1 744 . 13 1 1 A 67 67 LYS HA H 67 4.044 4.033 0.011 1
1 752 . 13 1 1 A 67 67 LYS C C 67 178.787 179.009 -0.222 1
1 753 . 13 1 1 A 67 67 LYS CA C 67 58.801 59.267 -0.466 1
1 754 . 13 1 1 A 67 67 LYS CB C 67 32.239 31.949 0.290 1
1 758 . 13 1 1 A 67 67 LYS N N 67 119.200 120.938 -1.738 1
1 759 . 13 1 1 A 68 68 LEU H H 68 7.631 7.938 -0.307 1
1 760 . 13 1 1 A 68 68 LEU HA H 68 4.155 3.919 0.236 1
1 770 . 13 1 1 A 68 68 LEU C C 68 179.055 179.508 -0.453 1
1 771 . 13 1 1 A 68 68 LEU CA C 68 56.903 57.571 -0.668 1
1 772 . 13 1 1 A 68 68 LEU CB C 68 41.850 41.437 0.413 1
1 776 . 13 1 1 A 68 68 LEU N N 68 118.976 119.688 -0.712 1
1 777 . 13 1 1 A 69 69 ARG H H 69 7.900 7.566 0.334 1
1 778 . 13 1 1 A 69 69 ARG HA H 69 4.089 3.953 0.136 1
1 785 . 13 1 1 A 69 69 ARG C C 69 177.985 178.632 -0.647 1
1 786 . 13 1 1 A 69 69 ARG CA C 69 58.551 58.828 -0.277 1
1 787 . 13 1 1 A 69 69 ARG CB C 69 30.430 30.025 0.405 1
1 790 . 13 1 1 A 69 69 ARG N N 69 119.387 120.841 -1.454 1
1 791 . 13 1 1 A 70 70 ASN H H 70 8.088 8.125 -0.037 1
1 792 . 13 1 1 A 70 70 ASN HA H 70 4.633 4.406 0.227 1
1 797 . 13 1 1 A 70 70 ASN C C 70 176.194 178.019 -1.825 1
1 798 . 13 1 1 A 70 70 ASN CA C 70 54.463 55.828 -1.365 1
1 799 . 13 1 1 A 70 70 ASN CB C 70 38.805 37.890 0.915 1
1 800 . 13 1 1 A 70 70 ASN N N 70 117.289 118.109 -0.820 1
1 802 . 13 1 1 A 71 71 GLN H H 71 8.017 8.430 -0.413 1
1 803 . 13 1 1 A 71 71 GLN HA H 71 4.263 4.024 0.239 1
1 810 . 13 1 1 A 71 71 GLN C C 71 176.750 178.315 -1.565 1
1 811 . 13 1 1 A 71 71 GLN CA C 71 57.031 58.831 -1.800 1
1 812 . 13 1 1 A 71 71 GLN CB C 71 29.122 28.190 0.932 1
1 814 . 13 1 1 A 71 71 GLN N N 71 119.838 117.808 2.030 1
1 816 . 13 1 1 A 72 72 ARG H H 72 8.125 7.505 0.620 1
1 817 . 13 1 1 A 72 72 ARG HA H 72 4.312 3.983 0.329 1
1 823 . 13 1 1 A 72 72 ARG C C 72 176.729 177.527 -0.798 1
1 824 . 13 1 1 A 72 72 ARG CA C 72 56.840 59.109 -2.269 1
1 825 . 13 1 1 A 72 72 ARG CB C 72 30.500 29.632 0.868 1
1 828 . 13 1 1 A 72 72 ARG N N 72 120.534 119.397 1.137 1
1 829 . 13 1 1 A 73 73 ARG H H 73 8.148 7.732 0.416 1
1 830 . 13 1 1 A 73 73 ARG HA H 73 4.412 4.114 0.298 1
1 836 . 13 1 1 A 73 73 ARG C C 73 176.552 175.076 1.476 1
1 837 . 13 1 1 A 73 73 ARG CA C 73 56.445 56.409 0.036 1
1 838 . 13 1 1 A 73 73 ARG CB C 73 30.676 30.989 -0.313 1
1 841 . 13 1 1 A 73 73 ARG N N 73 121.356 120.264 1.092 1
1 842 . 13 1 1 A 74 74 GLN HA H 74 4.334 4.872 -0.538 1
1 846 . 13 1 1 A 74 74 GLN CA C 74 56.127 54.480 1.647 1
1 847 . 13 1 1 A 74 74 GLN CB C 74 29.362 30.120 -0.758 1
1 849 . 13 1 1 A 76 76 GLY HA2 H 76 4.168 4.133 0.035 1
1 850 . 13 1 1 A 76 76 GLY HA3 H 76 4.168 4.134 0.034 1
1 851 . 13 1 1 A 76 76 GLY CA C 76 44.736 45.064 -0.328 1
1 852 . 13 1 1 A 77 77 PRO HA H 77 4.502 4.526 -0.024 1
1 859 . 13 1 1 A 77 77 PRO CA C 77 63.330 62.796 0.534 1
1 860 . 13 1 1 A 77 77 PRO CB C 77 32.217 31.858 0.359 1
1 863 . 13 1 1 A 79 79 SER HA H 79 4.524 4.278 0.246 1
1 865 . 13 1 1 A 79 79 SER C C 79 173.931 173.989 -0.058 1
1 866 . 13 1 1 A 79 79 SER CA C 79 58.409 59.703 -1.294 1
1 867 . 13 1 1 A 79 79 SER CB C 79 64.147 63.065 1.082 1
1 1 . 14 1 1 A 8 8 GLN H H 8 8.925 8.345 0.580 1
1 2 . 14 1 1 A 8 8 GLN HA H 8 4.398 4.473 -0.075 1
1 8 . 14 1 1 A 8 8 GLN CA C 8 56.051 55.473 0.578 1
1 9 . 14 1 1 A 8 8 GLN CB C 8 29.491 29.018 0.473 1
1 12 . 14 1 1 A 12 12 THR HA H 12 4.352 4.588 -0.236 1
1 17 . 14 1 1 A 12 12 THR CA C 12 61.819 60.035 1.784 1
1 18 . 14 1 1 A 12 12 THR CB C 12 69.783 67.595 2.188 1
1 20 . 14 1 1 A 13 13 SER HA H 13 4.465 4.062 0.403 1
1 23 . 14 1 1 A 13 13 SER C C 13 173.828 174.410 -0.582 1
1 24 . 14 1 1 A 13 13 SER CA C 13 57.973 61.642 -3.669 1
1 25 . 14 1 1 A 13 13 SER CB C 13 64.246 63.053 1.193 1
1 26 . 14 1 1 A 14 14 PHE H H 14 8.322 7.865 0.457 1
1 27 . 14 1 1 A 14 14 PHE HA H 14 5.035 5.308 -0.273 1
1 35 . 14 1 1 A 14 14 PHE C C 14 176.750 175.259 1.491 1
1 36 . 14 1 1 A 14 14 PHE CA C 14 56.624 56.415 0.209 1
1 37 . 14 1 1 A 14 14 PHE CB C 14 41.174 42.722 -1.548 1
1 43 . 14 1 1 A 14 14 PHE N N 14 121.036 119.013 2.023 1
1 44 . 14 1 1 A 15 15 THR H H 15 8.944 8.407 0.537 1
1 45 . 14 1 1 A 15 15 THR HA H 15 4.529 4.941 -0.412 1
1 50 . 14 1 1 A 15 15 THR C C 15 175.433 175.389 0.044 1
1 51 . 14 1 1 A 15 15 THR CA C 15 60.644 59.539 1.105 1
1 52 . 14 1 1 A 15 15 THR CB C 15 70.784 71.820 -1.036 1
1 54 . 14 1 1 A 15 15 THR N N 15 113.618 113.550 0.068 1
1 55 . 14 1 1 A 16 16 GLN H H 16 9.086 9.059 0.027 1
1 56 . 14 1 1 A 16 16 GLN HA H 16 4.016 4.043 -0.027 1
1 63 . 14 1 1 A 16 16 GLN C C 16 178.149 177.690 0.459 1
1 64 . 14 1 1 A 16 16 GLN CA C 16 59.283 59.308 -0.025 1
1 65 . 14 1 1 A 16 16 GLN CB C 16 27.943 28.289 -0.346 1
1 67 . 14 1 1 A 16 16 GLN N N 16 121.415 121.633 -0.218 1
1 69 . 14 1 1 A 17 17 GLU H H 17 8.837 8.271 0.566 1
1 70 . 14 1 1 A 17 17 GLU HA H 17 4.048 4.146 -0.098 1
1 75 . 14 1 1 A 17 17 GLU C C 17 180.248 178.701 1.547 1
1 76 . 14 1 1 A 17 17 GLU CA C 17 60.156 59.091 1.065 1
1 77 . 14 1 1 A 17 17 GLU CB C 17 29.125 29.244 -0.119 1
1 79 . 14 1 1 A 17 17 GLU N N 17 117.930 119.240 -1.310 1
1 80 . 14 1 1 A 18 18 GLN H H 18 7.738 8.183 -0.445 1
1 81 . 14 1 1 A 18 18 GLN HA H 18 3.809 4.254 -0.445 1
1 88 . 14 1 1 A 18 18 GLN C C 18 177.079 178.393 -1.314 1
1 89 . 14 1 1 A 18 18 GLN CA C 18 59.358 57.929 1.429 1
1 90 . 14 1 1 A 18 18 GLN CB C 18 27.338 29.266 -1.928 1
1 92 . 14 1 1 A 18 18 GLN N N 18 119.421 118.750 0.671 1
1 94 . 14 1 1 A 19 19 ILE H H 19 8.265 8.403 -0.138 1
1 95 . 14 1 1 A 19 19 ILE HA H 19 3.240 3.573 -0.333 1
1 105 . 14 1 1 A 19 19 ILE C C 19 177.409 177.816 -0.407 1
1 106 . 14 1 1 A 19 19 ILE CA C 19 64.693 65.347 -0.654 1
1 107 . 14 1 1 A 19 19 ILE CB C 19 37.544 37.441 0.103 1
1 111 . 14 1 1 A 19 19 ILE N N 19 118.326 121.497 -3.171 1
1 112 . 14 1 1 A 20 20 GLU H H 20 8.304 8.502 -0.198 1
1 113 . 14 1 1 A 20 20 GLU HA H 20 3.916 4.029 -0.113 1
1 118 . 14 1 1 A 20 20 GLU C C 20 179.281 178.326 0.955 1
1 119 . 14 1 1 A 20 20 GLU CA C 20 59.674 59.176 0.498 1
1 120 . 14 1 1 A 20 20 GLU CB C 20 29.369 29.241 0.128 1
1 122 . 14 1 1 A 20 20 GLU N N 20 117.948 120.235 -2.287 1
1 123 . 14 1 1 A 21 21 ALA H H 21 7.335 7.841 -0.506 1
1 124 . 14 1 1 A 21 21 ALA HA H 21 4.095 4.065 0.030 1
1 128 . 14 1 1 A 21 21 ALA C C 21 180.825 180.074 0.751 1
1 129 . 14 1 1 A 21 21 ALA CA C 21 54.885 54.249 0.636 1
1 130 . 14 1 1 A 21 21 ALA CB C 21 19.190 18.506 0.684 1
1 131 . 14 1 1 A 21 21 ALA N N 21 120.460 122.319 -1.859 1
1 132 . 14 1 1 A 22 22 LEU H H 22 8.100 8.177 -0.077 1
1 133 . 14 1 1 A 22 22 LEU HA H 22 3.490 3.694 -0.204 1
1 143 . 14 1 1 A 22 22 LEU C C 22 177.861 178.869 -1.008 1
1 144 . 14 1 1 A 22 22 LEU CA C 22 58.530 57.084 1.446 1
1 145 . 14 1 1 A 22 22 LEU CB C 22 37.691 40.196 -2.505 1
1 149 . 14 1 1 A 22 22 LEU N N 22 122.412 120.001 2.411 1
1 150 . 14 1 1 A 23 23 GLU H H 23 8.534 7.953 0.581 1
1 151 . 14 1 1 A 23 23 GLU HA H 23 4.360 4.134 0.226 1
1 156 . 14 1 1 A 23 23 GLU C C 23 180.413 179.032 1.381 1
1 157 . 14 1 1 A 23 23 GLU CA C 23 59.072 59.407 -0.335 1
1 158 . 14 1 1 A 23 23 GLU CB C 23 28.905 29.955 -1.050 1
1 160 . 14 1 1 A 23 23 GLU N N 23 118.309 120.019 -1.710 1
1 161 . 14 1 1 A 24 24 LYS H H 24 7.898 7.737 0.161 1
1 162 . 14 1 1 A 24 24 LYS HA H 24 4.170 3.994 0.176 1
1 170 . 14 1 1 A 24 24 LYS C C 24 179.672 179.060 0.612 1
1 171 . 14 1 1 A 24 24 LYS CA C 24 59.144 59.749 -0.605 1
1 172 . 14 1 1 A 24 24 LYS CB C 24 32.082 32.384 -0.302 1
1 176 . 14 1 1 A 24 24 LYS N N 24 119.449 121.149 -1.700 1
1 177 . 14 1 1 A 25 25 GLU H H 25 7.887 7.864 0.023 1
1 178 . 14 1 1 A 25 25 GLU HA H 25 4.596 4.003 0.593 1
1 183 . 14 1 1 A 25 25 GLU C C 25 177.923 179.094 -1.171 1
1 184 . 14 1 1 A 25 25 GLU CA C 25 58.799 59.510 -0.711 1
1 185 . 14 1 1 A 25 25 GLU CB C 25 28.787 29.288 -0.501 1
1 187 . 14 1 1 A 25 25 GLU N N 25 121.941 118.923 3.018 1
1 188 . 14 1 1 A 26 26 PHE H H 26 8.843 8.348 0.495 1
1 189 . 14 1 1 A 26 26 PHE HA H 26 4.865 4.512 0.353 1
1 197 . 14 1 1 A 26 26 PHE C C 26 176.380 177.715 -1.335 1
1 198 . 14 1 1 A 26 26 PHE CA C 26 60.798 60.968 -0.170 1
1 199 . 14 1 1 A 26 26 PHE CB C 26 38.969 38.921 0.048 1
1 205 . 14 1 1 A 26 26 PHE N N 26 121.919 120.532 1.387 1
1 206 . 14 1 1 A 27 27 GLU H H 27 7.839 8.377 -0.538 1
1 207 . 14 1 1 A 27 27 GLU HA H 27 3.952 4.090 -0.138 1
1 212 . 14 1 1 A 27 27 GLU C C 27 178.335 178.612 -0.277 1
1 213 . 14 1 1 A 27 27 GLU CA C 27 58.650 60.342 -1.692 1
1 214 . 14 1 1 A 27 27 GLU CB C 27 29.772 29.424 0.348 1
1 216 . 14 1 1 A 27 27 GLU N N 27 115.144 117.577 -2.433 1
1 217 . 14 1 1 A 28 28 ARG H H 28 7.573 7.370 0.203 1
1 218 . 14 1 1 A 28 28 ARG HA H 28 4.109 4.173 -0.064 1
1 225 . 14 1 1 A 28 28 ARG C C 28 177.059 175.787 1.272 1
1 226 . 14 1 1 A 28 28 ARG CA C 28 58.740 58.193 0.547 1
1 227 . 14 1 1 A 28 28 ARG CB C 28 30.995 31.752 -0.757 1
1 230 . 14 1 1 A 28 28 ARG N N 28 120.497 118.906 1.591 1
1 231 . 14 1 1 A 29 29 THR H H 29 8.786 7.789 0.997 1
1 232 . 14 1 1 A 29 29 THR HA H 29 4.291 4.520 -0.229 1
1 237 . 14 1 1 A 29 29 THR C C 29 170.391 174.013 -3.622 1
1 238 . 14 1 1 A 29 29 THR CA C 29 59.674 60.627 -0.953 1
1 239 . 14 1 1 A 29 29 THR CB C 29 68.880 71.394 -2.514 1
1 241 . 14 1 1 A 29 29 THR N N 29 114.915 111.777 3.138 1
1 242 . 14 1 1 A 30 30 HIS H H 30 8.292 8.540 -0.248 1
1 243 . 14 1 1 A 30 30 HIS HA H 30 4.420 3.205 1.215 1
1 248 . 14 1 1 A 30 30 HIS C C 30 174.569 174.222 0.347 1
1 249 . 14 1 1 A 30 30 HIS CA C 30 54.798 57.306 -2.508 1
1 250 . 14 1 1 A 30 30 HIS CB C 30 30.629 28.945 1.684 1
1 253 . 14 1 1 A 30 30 HIS N N 30 122.126 126.006 -3.880 1
1 254 . 14 1 1 A 31 31 TYR H H 31 8.179 7.293 0.886 1
1 255 . 14 1 1 A 31 31 TYR HA H 31 4.731 4.874 -0.143 1
1 262 . 14 1 1 A 31 31 TYR C C 31 172.551 173.007 -0.456 1
1 263 . 14 1 1 A 31 31 TYR CA C 31 55.259 54.993 0.266 1
1 264 . 14 1 1 A 31 31 TYR CB C 31 39.362 38.347 1.015 1
1 269 . 14 1 1 A 31 31 TYR N N 31 115.063 117.609 -2.546 1
1 270 . 14 1 1 A 32 32 PRO HA H 32 4.256 4.572 -0.316 1
1 277 . 14 1 1 A 32 32 PRO C C 32 177.388 176.965 0.423 1
1 278 . 14 1 1 A 32 32 PRO CA C 32 62.903 62.355 0.548 1
1 279 . 14 1 1 A 32 32 PRO CB C 32 30.896 31.216 -0.320 1
1 282 . 14 1 1 A 33 33 ASP H H 33 8.457 8.641 -0.184 1
1 283 . 14 1 1 A 33 33 ASP HA H 33 4.495 4.643 -0.148 1
1 286 . 14 1 1 A 33 33 ASP C C 33 175.824 177.523 -1.699 1
1 287 . 14 1 1 A 33 33 ASP CA C 33 52.776 54.306 -1.530 1
1 288 . 14 1 1 A 33 33 ASP CB C 33 41.174 41.838 -0.664 1
1 289 . 14 1 1 A 33 33 ASP N N 33 124.636 122.503 2.133 1
1 290 . 14 1 1 A 34 34 VAL H H 34 8.331 8.457 -0.126 1
1 291 . 14 1 1 A 34 34 VAL HA H 34 3.488 3.796 -0.308 1
1 299 . 14 1 1 A 34 34 VAL C C 34 176.133 177.376 -1.243 1
1 300 . 14 1 1 A 34 34 VAL CA C 34 66.176 65.171 1.005 1
1 301 . 14 1 1 A 34 34 VAL CB C 34 31.401 31.460 -0.059 1
1 304 . 14 1 1 A 34 34 VAL N N 34 117.908 123.795 -5.887 1
1 305 . 14 1 1 A 35 35 PHE H H 35 7.127 7.846 -0.719 1
1 306 . 14 1 1 A 35 35 PHE HA H 35 4.339 4.172 0.167 1
1 314 . 14 1 1 A 35 35 PHE C C 35 178.808 177.236 1.572 1
1 315 . 14 1 1 A 35 35 PHE CA C 35 60.335 61.457 -1.122 1
1 316 . 14 1 1 A 35 35 PHE CB C 35 37.927 38.000 -0.073 1
1 322 . 14 1 1 A 35 35 PHE N N 35 120.263 120.589 -0.326 1
1 323 . 14 1 1 A 36 36 ALA H H 36 8.428 7.993 0.435 1
1 324 . 14 1 1 A 36 36 ALA HA H 36 4.094 4.381 -0.287 1
1 328 . 14 1 1 A 36 36 ALA C C 36 181.812 179.195 2.617 1
1 329 . 14 1 1 A 36 36 ALA CA C 36 55.062 54.372 0.690 1
1 330 . 14 1 1 A 36 36 ALA CB C 36 18.484 19.361 -0.877 1
1 331 . 14 1 1 A 36 36 ALA N N 36 123.569 121.842 1.727 1
1 332 . 14 1 1 A 37 37 ARG H H 37 8.695 8.182 0.513 1
1 333 . 14 1 1 A 37 37 ARG HA H 37 3.920 4.065 -0.145 1
1 341 . 14 1 1 A 37 37 ARG C C 37 178.232 178.872 -0.640 1
1 342 . 14 1 1 A 37 37 ARG CA C 37 61.034 59.837 1.197 1
1 343 . 14 1 1 A 37 37 ARG CB C 37 31.263 29.858 1.405 1
1 346 . 14 1 1 A 37 37 ARG N N 37 117.907 117.403 0.504 1
1 348 . 14 1 1 A 38 38 GLU H H 38 8.531 8.391 0.140 1
1 349 . 14 1 1 A 38 38 GLU HA H 38 4.051 4.081 -0.030 1
1 354 . 14 1 1 A 38 38 GLU C C 38 179.940 179.373 0.567 1
1 355 . 14 1 1 A 38 38 GLU CA C 38 59.765 59.243 0.522 1
1 356 . 14 1 1 A 38 38 GLU CB C 38 29.456 29.129 0.327 1
1 358 . 14 1 1 A 38 38 GLU N N 38 119.688 119.592 0.096 1
1 359 . 14 1 1 A 39 39 ARG H H 39 8.096 8.057 0.039 1
1 360 . 14 1 1 A 39 39 ARG HA H 39 4.130 4.071 0.059 1
1 366 . 14 1 1 A 39 39 ARG C C 39 179.425 178.997 0.428 1
1 367 . 14 1 1 A 39 39 ARG CA C 39 59.368 59.017 0.351 1
1 368 . 14 1 1 A 39 39 ARG CB C 39 30.300 29.810 0.490 1
1 371 . 14 1 1 A 39 39 ARG N N 39 120.527 120.392 0.135 1
1 372 . 14 1 1 A 40 40 LEU H H 40 7.933 8.253 -0.320 1
1 373 . 14 1 1 A 40 40 LEU HA H 40 4.121 4.083 0.038 1
1 383 . 14 1 1 A 40 40 LEU C C 40 177.861 178.228 -0.367 1
1 384 . 14 1 1 A 40 40 LEU CA C 40 57.807 57.537 0.270 1
1 385 . 14 1 1 A 40 40 LEU CB C 40 42.446 41.434 1.012 1
1 389 . 14 1 1 A 40 40 LEU N N 40 121.371 121.512 -0.141 1
1 390 . 14 1 1 A 41 41 ALA H H 41 8.537 8.393 0.144 1
1 391 . 14 1 1 A 41 41 ALA HA H 41 4.102 4.161 -0.059 1
1 395 . 14 1 1 A 41 41 ALA C C 41 180.372 179.152 1.220 1
1 396 . 14 1 1 A 41 41 ALA CA C 41 56.060 55.430 0.630 1
1 397 . 14 1 1 A 41 41 ALA CB C 41 18.892 18.443 0.449 1
1 398 . 14 1 1 A 41 41 ALA N N 41 121.892 120.445 1.447 1
1 399 . 14 1 1 A 42 42 ALA H H 42 7.400 7.252 0.148 1
1 400 . 14 1 1 A 42 42 ALA HA H 42 4.242 4.213 0.029 1
1 404 . 14 1 1 A 42 42 ALA C C 42 179.631 180.072 -0.441 1
1 405 . 14 1 1 A 42 42 ALA CA C 42 53.951 53.100 0.851 1
1 406 . 14 1 1 A 42 42 ALA CB C 42 18.484 19.275 -0.791 1
1 407 . 14 1 1 A 42 42 ALA N N 42 116.807 119.424 -2.617 1
1 408 . 14 1 1 A 43 43 LYS H H 43 7.781 8.326 -0.545 1
1 409 . 14 1 1 A 43 43 LYS HA H 43 4.229 4.075 0.154 1
1 417 . 14 1 1 A 43 43 LYS C C 43 178.746 177.996 0.750 1
1 418 . 14 1 1 A 43 43 LYS CA C 43 58.710 58.654 0.056 1
1 419 . 14 1 1 A 43 43 LYS CB C 43 33.610 32.574 1.036 1
1 423 . 14 1 1 A 43 43 LYS N N 43 118.433 118.147 0.286 1
1 424 . 14 1 1 A 44 44 ILE H H 44 8.094 7.579 0.515 1
1 425 . 14 1 1 A 44 44 ILE HA H 44 4.655 4.366 0.289 1
1 435 . 14 1 1 A 44 44 ILE C C 44 175.042 175.427 -0.385 1
1 436 . 14 1 1 A 44 44 ILE CA C 44 60.606 60.122 0.484 1
1 437 . 14 1 1 A 44 44 ILE CB C 44 38.341 39.124 -0.783 1
1 441 . 14 1 1 A 44 44 ILE N N 44 108.112 111.459 -3.347 1
1 442 . 14 1 1 A 45 45 ASP H H 45 7.811 8.215 -0.404 1
1 443 . 14 1 1 A 45 45 ASP HA H 45 4.333 4.266 0.067 1
1 446 . 14 1 1 A 45 45 ASP C C 45 173.848 174.591 -0.743 1
1 447 . 14 1 1 A 45 45 ASP CA C 45 55.065 55.016 0.049 1
1 448 . 14 1 1 A 45 45 ASP CB C 45 39.031 39.566 -0.535 1
1 449 . 14 1 1 A 45 45 ASP N N 45 121.798 122.046 -0.248 1
1 450 . 14 1 1 A 46 46 LEU H H 46 7.550 7.870 -0.320 1
1 451 . 14 1 1 A 46 46 LEU HA H 46 4.990 4.829 0.161 1
1 461 . 14 1 1 A 46 46 LEU C C 46 173.536 174.245 -0.709 1
1 462 . 14 1 1 A 46 46 LEU CA C 46 51.364 51.340 0.024 1
1 463 . 14 1 1 A 46 46 LEU CB C 46 47.443 45.089 2.354 1
1 467 . 14 1 1 A 46 46 LEU N N 46 118.454 118.682 -0.228 1
1 468 . 14 1 1 A 47 47 PRO HA H 47 4.548 4.707 -0.159 1
1 475 . 14 1 1 A 47 47 PRO C C 47 178.417 177.871 0.546 1
1 476 . 14 1 1 A 47 47 PRO CA C 47 62.268 62.884 -0.616 1
1 477 . 14 1 1 A 47 47 PRO CB C 47 32.600 32.053 0.547 1
1 480 . 14 1 1 A 48 48 GLU H H 48 9.253 9.064 0.189 1
1 481 . 14 1 1 A 48 48 GLU HA H 48 3.799 4.014 -0.215 1
1 486 . 14 1 1 A 48 48 GLU C C 48 178.273 178.249 0.024 1
1 487 . 14 1 1 A 48 48 GLU CA C 48 61.083 59.641 1.442 1
1 488 . 14 1 1 A 48 48 GLU CB C 48 28.815 29.366 -0.551 1
1 490 . 14 1 1 A 48 48 GLU N N 48 126.081 124.573 1.508 1
1 491 . 14 1 1 A 49 49 ALA H H 49 8.923 8.284 0.639 1
1 492 . 14 1 1 A 49 49 ALA HA H 49 4.128 4.091 0.037 1
1 496 . 14 1 1 A 49 49 ALA C C 49 181.277 179.449 1.828 1
1 497 . 14 1 1 A 49 49 ALA CA C 49 55.569 55.289 0.280 1
1 498 . 14 1 1 A 49 49 ALA CB C 49 18.681 18.269 0.412 1
1 499 . 14 1 1 A 49 49 ALA N N 49 119.313 122.062 -2.749 1
1 500 . 14 1 1 A 50 50 ARG H H 50 7.417 8.189 -0.772 1
1 501 . 14 1 1 A 50 50 ARG HA H 50 4.348 4.197 0.151 1
1 508 . 14 1 1 A 50 50 ARG C C 50 179.425 178.702 0.723 1
1 509 . 14 1 1 A 50 50 ARG CA C 50 57.978 59.665 -1.687 1
1 510 . 14 1 1 A 50 50 ARG CB C 50 29.723 30.262 -0.539 1
1 513 . 14 1 1 A 50 50 ARG N N 50 114.567 117.833 -3.266 1
1 514 . 14 1 1 A 51 51 ILE H H 51 7.785 7.960 -0.175 1
1 515 . 14 1 1 A 51 51 ILE HA H 51 3.816 3.872 -0.056 1
1 525 . 14 1 1 A 51 51 ILE C C 51 178.088 178.315 -0.227 1
1 526 . 14 1 1 A 51 51 ILE CA C 51 65.848 65.483 0.365 1
1 527 . 14 1 1 A 51 51 ILE CB C 51 37.785 37.836 -0.051 1
1 531 . 14 1 1 A 51 51 ILE N N 51 121.669 121.033 0.636 1
1 532 . 14 1 1 A 52 52 GLN H H 52 8.478 7.752 0.726 1
1 533 . 14 1 1 A 52 52 GLN HA H 52 4.423 4.041 0.382 1
1 539 . 14 1 1 A 52 52 GLN C C 52 179.364 178.907 0.457 1
1 540 . 14 1 1 A 52 52 GLN CA C 52 60.232 58.862 1.370 1
1 541 . 14 1 1 A 52 52 GLN CB C 52 28.945 28.411 0.534 1
1 543 . 14 1 1 A 52 52 GLN N N 52 118.943 118.287 0.656 1
1 545 . 14 1 1 A 53 53 VAL H H 53 7.582 8.026 -0.444 1
1 546 . 14 1 1 A 53 53 VAL HA H 53 3.842 3.753 0.089 1
1 554 . 14 1 1 A 53 53 VAL C C 53 177.800 178.216 -0.416 1
1 555 . 14 1 1 A 53 53 VAL CA C 53 66.633 66.906 -0.273 1
1 556 . 14 1 1 A 53 53 VAL CB C 53 32.241 31.800 0.441 1
1 559 . 14 1 1 A 53 53 VAL N N 53 120.375 120.289 0.086 1
1 560 . 14 1 1 A 54 54 TRP H H 54 8.390 8.367 0.023 1
1 561 . 14 1 1 A 54 54 TRP HA H 54 4.050 4.041 0.009 1
1 570 . 14 1 1 A 54 54 TRP C C 54 180.084 178.347 1.737 1
1 571 . 14 1 1 A 54 54 TRP CA C 54 63.229 61.295 1.934 1
1 572 . 14 1 1 A 54 54 TRP CB C 54 28.726 29.418 -0.692 1
1 578 . 14 1 1 A 54 54 TRP N N 54 121.414 121.197 0.217 1
1 580 . 14 1 1 A 55 55 PHE H H 55 9.127 8.545 0.582 1
1 581 . 14 1 1 A 55 55 PHE HA H 55 3.771 4.612 -0.841 1
1 589 . 14 1 1 A 55 55 PHE C C 55 178.170 178.221 -0.051 1
1 590 . 14 1 1 A 55 55 PHE CA C 55 63.826 62.130 1.696 1
1 591 . 14 1 1 A 55 55 PHE CB C 55 39.195 38.521 0.674 1
1 597 . 14 1 1 A 55 55 PHE N N 55 118.358 117.415 0.943 1
1 598 . 14 1 1 A 56 56 SER H H 56 8.267 8.768 -0.501 1
1 599 . 14 1 1 A 56 56 SER HA H 56 4.148 4.153 -0.005 1
1 602 . 14 1 1 A 56 56 SER C C 56 178.376 177.534 0.842 1
1 603 . 14 1 1 A 56 56 SER CA C 56 62.578 61.909 0.669 1
1 604 . 14 1 1 A 56 56 SER CB C 56 62.412 63.236 -0.824 1
1 605 . 14 1 1 A 56 56 SER N N 56 115.049 115.244 -0.195 1
1 606 . 14 1 1 A 57 57 ASN H H 57 8.231 8.308 -0.077 1
1 607 . 14 1 1 A 57 57 ASN HA H 57 4.411 4.427 -0.016 1
1 612 . 14 1 1 A 57 57 ASN C C 57 177.573 177.613 -0.040 1
1 613 . 14 1 1 A 57 57 ASN CA C 57 55.698 56.191 -0.493 1
1 614 . 14 1 1 A 57 57 ASN CB C 57 37.827 37.663 0.164 1
1 615 . 14 1 1 A 57 57 ASN N N 57 120.846 120.305 0.541 1
1 617 . 14 1 1 A 58 58 ARG H H 58 8.531 7.499 1.032 1
1 618 . 14 1 1 A 58 58 ARG HA H 58 3.533 3.558 -0.025 1
1 626 . 14 1 1 A 58 58 ARG C C 58 179.919 178.332 1.587 1
1 627 . 14 1 1 A 58 58 ARG CA C 58 56.451 59.463 -3.012 1
1 628 . 14 1 1 A 58 58 ARG CB C 58 27.981 29.499 -1.518 1
1 631 . 14 1 1 A 58 58 ARG N N 58 124.704 120.485 4.219 1
1 633 . 14 1 1 A 59 59 ARG H H 59 8.496 8.140 0.356 1
1 634 . 14 1 1 A 59 59 ARG HA H 59 4.072 4.228 -0.156 1
1 641 . 14 1 1 A 59 59 ARG C C 59 178.520 179.207 -0.687 1
1 642 . 14 1 1 A 59 59 ARG CA C 59 60.970 59.651 1.319 1
1 643 . 14 1 1 A 59 59 ARG CB C 59 31.601 29.961 1.640 1
1 646 . 14 1 1 A 59 59 ARG N N 59 120.108 118.028 2.080 1
1 647 . 14 1 1 A 60 60 ALA H H 60 7.487 8.191 -0.704 1
1 648 . 14 1 1 A 60 60 ALA HA H 60 4.197 4.123 0.074 1
1 652 . 14 1 1 A 60 60 ALA C C 60 180.475 179.539 0.936 1
1 653 . 14 1 1 A 60 60 ALA CA C 60 55.547 54.993 0.554 1
1 654 . 14 1 1 A 60 60 ALA CB C 60 17.635 18.318 -0.683 1
1 655 . 14 1 1 A 60 60 ALA N N 60 121.949 121.820 0.129 1
1 656 . 14 1 1 A 61 61 LYS H H 61 7.733 7.856 -0.123 1
1 657 . 14 1 1 A 61 61 LYS HA H 61 3.927 4.017 -0.090 1
1 666 . 14 1 1 A 61 61 LYS C C 61 177.656 178.813 -1.157 1
1 667 . 14 1 1 A 61 61 LYS CA C 61 59.590 58.871 0.719 1
1 668 . 14 1 1 A 61 61 LYS CB C 61 32.903 31.733 1.170 1
1 672 . 14 1 1 A 61 61 LYS N N 61 120.311 118.361 1.950 1
1 673 . 14 1 1 A 62 62 TRP H H 62 8.235 8.261 -0.026 1
1 674 . 14 1 1 A 62 62 TRP HA H 62 4.475 4.241 0.234 1
1 683 . 14 1 1 A 62 62 TRP C C 62 178.088 178.339 -0.251 1
1 684 . 14 1 1 A 62 62 TRP CA C 62 61.043 60.273 0.770 1
1 685 . 14 1 1 A 62 62 TRP CB C 62 29.113 29.603 -0.490 1
1 691 . 14 1 1 A 62 62 TRP N N 62 120.161 121.748 -1.587 1
1 693 . 14 1 1 A 63 63 ARG H H 63 8.579 8.707 -0.128 1
1 694 . 14 1 1 A 63 63 ARG HA H 63 3.762 3.716 0.046 1
1 701 . 14 1 1 A 63 63 ARG C C 63 179.220 178.646 0.574 1
1 702 . 14 1 1 A 63 63 ARG CA C 63 59.644 59.349 0.295 1
1 703 . 14 1 1 A 63 63 ARG CB C 63 30.498 30.117 0.381 1
1 706 . 14 1 1 A 63 63 ARG N N 63 117.951 118.852 -0.901 1
1 707 . 14 1 1 A 64 64 ARG H H 64 7.754 8.000 -0.246 1
1 708 . 14 1 1 A 64 64 ARG HA H 64 4.075 4.000 0.075 1
1 715 . 14 1 1 A 64 64 ARG C C 64 178.643 178.571 0.072 1
1 716 . 14 1 1 A 64 64 ARG CA C 64 59.313 59.095 0.218 1
1 717 . 14 1 1 A 64 64 ARG CB C 64 30.254 29.855 0.399 1
1 720 . 14 1 1 A 64 64 ARG N N 64 119.265 118.608 0.657 1
1 721 . 14 1 1 A 65 65 GLU H H 65 8.134 7.864 0.270 1
1 722 . 14 1 1 A 65 65 GLU HA H 65 3.988 4.022 -0.034 1
1 727 . 14 1 1 A 65 65 GLU C C 65 178.890 179.121 -0.231 1
1 728 . 14 1 1 A 65 65 GLU CA C 65 58.891 59.087 -0.196 1
1 729 . 14 1 1 A 65 65 GLU CB C 65 29.228 29.315 -0.087 1
1 731 . 14 1 1 A 65 65 GLU N N 65 119.336 119.310 0.026 1
1 732 . 14 1 1 A 66 66 GLU H H 66 8.212 8.180 0.032 1
1 733 . 14 1 1 A 66 66 GLU HA H 66 3.804 3.743 0.061 1
1 738 . 14 1 1 A 66 66 GLU C C 66 178.273 178.651 -0.378 1
1 739 . 14 1 1 A 66 66 GLU CA C 66 58.714 59.175 -0.461 1
1 740 . 14 1 1 A 66 66 GLU CB C 66 29.493 28.842 0.651 1
1 742 . 14 1 1 A 66 66 GLU N N 66 121.135 119.970 1.165 1
1 743 . 14 1 1 A 67 67 LYS H H 67 7.663 7.242 0.421 1
1 744 . 14 1 1 A 67 67 LYS HA H 67 4.044 4.045 -0.001 1
1 752 . 14 1 1 A 67 67 LYS C C 67 178.787 178.979 -0.192 1
1 753 . 14 1 1 A 67 67 LYS CA C 67 58.801 59.272 -0.471 1
1 754 . 14 1 1 A 67 67 LYS CB C 67 32.239 32.053 0.186 1
1 758 . 14 1 1 A 67 67 LYS N N 67 119.200 120.830 -1.630 1
1 759 . 14 1 1 A 68 68 LEU H H 68 7.631 8.273 -0.642 1
1 760 . 14 1 1 A 68 68 LEU HA H 68 4.155 3.913 0.242 1
1 770 . 14 1 1 A 68 68 LEU C C 68 179.055 179.377 -0.322 1
1 771 . 14 1 1 A 68 68 LEU CA C 68 56.903 57.737 -0.834 1
1 772 . 14 1 1 A 68 68 LEU CB C 68 41.850 41.396 0.454 1
1 776 . 14 1 1 A 68 68 LEU N N 68 118.976 119.171 -0.195 1
1 777 . 14 1 1 A 69 69 ARG H H 69 7.900 7.965 -0.065 1
1 778 . 14 1 1 A 69 69 ARG HA H 69 4.089 4.027 0.062 1
1 785 . 14 1 1 A 69 69 ARG C C 69 177.985 179.407 -1.422 1
1 786 . 14 1 1 A 69 69 ARG CA C 69 58.551 59.243 -0.692 1
1 787 . 14 1 1 A 69 69 ARG CB C 69 30.430 29.969 0.461 1
1 790 . 14 1 1 A 69 69 ARG N N 69 119.387 119.269 0.118 1
1 791 . 14 1 1 A 70 70 ASN H H 70 8.088 8.033 0.055 1
1 792 . 14 1 1 A 70 70 ASN HA H 70 4.633 4.513 0.120 1
1 797 . 14 1 1 A 70 70 ASN C C 70 176.194 177.463 -1.269 1
1 798 . 14 1 1 A 70 70 ASN CA C 70 54.463 55.901 -1.438 1
1 799 . 14 1 1 A 70 70 ASN CB C 70 38.805 38.824 -0.019 1
1 800 . 14 1 1 A 70 70 ASN N N 70 117.289 117.907 -0.618 1
1 802 . 14 1 1 A 71 71 GLN H H 71 8.017 7.635 0.382 1
1 803 . 14 1 1 A 71 71 GLN HA H 71 4.263 4.104 0.159 1
1 810 . 14 1 1 A 71 71 GLN C C 71 176.750 176.782 -0.032 1
1 811 . 14 1 1 A 71 71 GLN CA C 71 57.031 58.369 -1.338 1
1 812 . 14 1 1 A 71 71 GLN CB C 71 29.122 28.521 0.601 1
1 814 . 14 1 1 A 71 71 GLN N N 71 119.838 117.898 1.940 1
1 816 . 14 1 1 A 72 72 ARG H H 72 8.125 7.642 0.483 1
1 817 . 14 1 1 A 72 72 ARG HA H 72 4.312 4.458 -0.146 1
1 823 . 14 1 1 A 72 72 ARG C C 72 176.729 175.399 1.330 1
1 824 . 14 1 1 A 72 72 ARG CA C 72 56.840 55.397 1.443 1
1 825 . 14 1 1 A 72 72 ARG CB C 72 30.500 30.452 0.048 1
1 828 . 14 1 1 A 72 72 ARG N N 72 120.534 118.529 2.005 1
1 829 . 14 1 1 A 73 73 ARG H H 73 8.148 7.365 0.783 1
1 830 . 14 1 1 A 73 73 ARG HA H 73 4.412 4.197 0.215 1
1 836 . 14 1 1 A 73 73 ARG C C 73 176.552 175.884 0.668 1
1 837 . 14 1 1 A 73 73 ARG CA C 73 56.445 56.524 -0.079 1
1 838 . 14 1 1 A 73 73 ARG CB C 73 30.676 30.689 -0.013 1
1 841 . 14 1 1 A 73 73 ARG N N 73 121.356 118.562 2.794 1
1 842 . 14 1 1 A 74 74 GLN HA H 74 4.334 3.894 0.440 1
1 846 . 14 1 1 A 74 74 GLN CA C 74 56.127 56.924 -0.797 1
1 847 . 14 1 1 A 74 74 GLN CB C 74 29.362 26.344 3.018 1
1 849 . 14 1 1 A 76 76 GLY HA2 H 76 4.168 4.221 -0.053 1
1 850 . 14 1 1 A 76 76 GLY HA3 H 76 4.168 4.221 -0.053 1
1 851 . 14 1 1 A 76 76 GLY CA C 76 44.736 44.470 0.266 1
1 852 . 14 1 1 A 77 77 PRO HA H 77 4.502 4.706 -0.204 1
1 859 . 14 1 1 A 77 77 PRO CA C 77 63.330 62.396 0.934 1
1 860 . 14 1 1 A 77 77 PRO CB C 77 32.217 29.660 2.557 1
1 863 . 14 1 1 A 79 79 SER HA H 79 4.524 4.223 0.301 1
1 865 . 14 1 1 A 79 79 SER C C 79 173.931 176.695 -2.764 1
1 866 . 14 1 1 A 79 79 SER CA C 79 58.409 58.603 -0.194 1
1 867 . 14 1 1 A 79 79 SER CB C 79 64.147 63.867 0.280 1
1 1 . 15 1 1 A 8 8 GLN H H 8 8.925 8.488 0.437 1
1 2 . 15 1 1 A 8 8 GLN HA H 8 4.398 4.236 0.162 1
1 8 . 15 1 1 A 8 8 GLN CA C 8 56.051 56.013 0.038 1
1 9 . 15 1 1 A 8 8 GLN CB C 8 29.491 29.665 -0.174 1
1 12 . 15 1 1 A 12 12 THR HA H 12 4.352 4.987 -0.635 1
1 17 . 15 1 1 A 12 12 THR CA C 12 61.819 60.688 1.131 1
1 18 . 15 1 1 A 12 12 THR CB C 12 69.783 70.218 -0.435 1
1 20 . 15 1 1 A 13 13 SER HA H 13 4.465 4.541 -0.076 1
1 23 . 15 1 1 A 13 13 SER C C 13 173.828 175.180 -1.352 1
1 24 . 15 1 1 A 13 13 SER CA C 13 57.973 61.738 -3.765 1
1 25 . 15 1 1 A 13 13 SER CB C 13 64.246 64.151 0.095 1
1 26 . 15 1 1 A 14 14 PHE H H 14 8.322 7.979 0.343 1
1 27 . 15 1 1 A 14 14 PHE HA H 14 5.035 4.612 0.423 1
1 35 . 15 1 1 A 14 14 PHE C C 14 176.750 175.247 1.503 1
1 36 . 15 1 1 A 14 14 PHE CA C 14 56.624 58.538 -1.914 1
1 37 . 15 1 1 A 14 14 PHE CB C 14 41.174 39.550 1.624 1
1 43 . 15 1 1 A 14 14 PHE N N 14 121.036 119.603 1.433 1
1 44 . 15 1 1 A 15 15 THR H H 15 8.944 8.305 0.639 1
1 45 . 15 1 1 A 15 15 THR HA H 15 4.529 5.071 -0.542 1
1 50 . 15 1 1 A 15 15 THR C C 15 175.433 175.477 -0.044 1
1 51 . 15 1 1 A 15 15 THR CA C 15 60.644 59.367 1.277 1
1 52 . 15 1 1 A 15 15 THR CB C 15 70.784 71.723 -0.939 1
1 54 . 15 1 1 A 15 15 THR N N 15 113.618 111.181 2.437 1
1 55 . 15 1 1 A 16 16 GLN H H 16 9.086 8.953 0.133 1
1 56 . 15 1 1 A 16 16 GLN HA H 16 4.016 4.021 -0.005 1
1 63 . 15 1 1 A 16 16 GLN C C 16 178.149 177.552 0.597 1
1 64 . 15 1 1 A 16 16 GLN CA C 16 59.283 59.261 0.022 1
1 65 . 15 1 1 A 16 16 GLN CB C 16 27.943 28.214 -0.271 1
1 67 . 15 1 1 A 16 16 GLN N N 16 121.415 121.270 0.145 1
1 69 . 15 1 1 A 17 17 GLU H H 17 8.837 8.257 0.580 1
1 70 . 15 1 1 A 17 17 GLU HA H 17 4.048 4.123 -0.075 1
1 75 . 15 1 1 A 17 17 GLU C C 17 180.248 178.766 1.482 1
1 76 . 15 1 1 A 17 17 GLU CA C 17 60.156 59.033 1.123 1
1 77 . 15 1 1 A 17 17 GLU CB C 17 29.125 29.327 -0.202 1
1 79 . 15 1 1 A 17 17 GLU N N 17 117.930 119.250 -1.320 1
1 80 . 15 1 1 A 18 18 GLN H H 18 7.738 8.145 -0.407 1
1 81 . 15 1 1 A 18 18 GLN HA H 18 3.809 4.254 -0.445 1
1 88 . 15 1 1 A 18 18 GLN C C 18 177.079 178.151 -1.072 1
1 89 . 15 1 1 A 18 18 GLN CA C 18 59.358 57.778 1.580 1
1 90 . 15 1 1 A 18 18 GLN CB C 18 27.338 29.276 -1.938 1
1 92 . 15 1 1 A 18 18 GLN N N 18 119.421 118.690 0.731 1
1 94 . 15 1 1 A 19 19 ILE H H 19 8.265 8.526 -0.261 1
1 95 . 15 1 1 A 19 19 ILE HA H 19 3.240 3.521 -0.281 1
1 105 . 15 1 1 A 19 19 ILE C C 19 177.409 177.777 -0.368 1
1 106 . 15 1 1 A 19 19 ILE CA C 19 64.693 65.156 -0.463 1
1 107 . 15 1 1 A 19 19 ILE CB C 19 37.544 37.303 0.241 1
1 111 . 15 1 1 A 19 19 ILE N N 19 118.326 120.915 -2.589 1
1 112 . 15 1 1 A 20 20 GLU H H 20 8.304 8.448 -0.144 1
1 113 . 15 1 1 A 20 20 GLU HA H 20 3.916 4.017 -0.101 1
1 118 . 15 1 1 A 20 20 GLU C C 20 179.281 178.358 0.923 1
1 119 . 15 1 1 A 20 20 GLU CA C 20 59.674 59.174 0.500 1
1 120 . 15 1 1 A 20 20 GLU CB C 20 29.369 29.263 0.106 1
1 122 . 15 1 1 A 20 20 GLU N N 20 117.948 120.117 -2.169 1
1 123 . 15 1 1 A 21 21 ALA H H 21 7.335 7.811 -0.476 1
1 124 . 15 1 1 A 21 21 ALA HA H 21 4.095 4.038 0.057 1
1 128 . 15 1 1 A 21 21 ALA C C 21 180.825 180.270 0.555 1
1 129 . 15 1 1 A 21 21 ALA CA C 21 54.885 54.508 0.377 1
1 130 . 15 1 1 A 21 21 ALA CB C 21 19.190 18.491 0.699 1
1 131 . 15 1 1 A 21 21 ALA N N 21 120.460 122.283 -1.823 1
1 132 . 15 1 1 A 22 22 LEU H H 22 8.100 8.289 -0.189 1
1 133 . 15 1 1 A 22 22 LEU HA H 22 3.490 3.731 -0.241 1
1 143 . 15 1 1 A 22 22 LEU C C 22 177.861 178.942 -1.081 1
1 144 . 15 1 1 A 22 22 LEU CA C 22 58.530 57.169 1.361 1
1 145 . 15 1 1 A 22 22 LEU CB C 22 37.691 40.221 -2.530 1
1 149 . 15 1 1 A 22 22 LEU N N 22 122.412 120.018 2.394 1
1 150 . 15 1 1 A 23 23 GLU H H 23 8.534 8.144 0.390 1
1 151 . 15 1 1 A 23 23 GLU HA H 23 4.360 4.202 0.158 1
1 156 . 15 1 1 A 23 23 GLU C C 23 180.413 179.670 0.743 1
1 157 . 15 1 1 A 23 23 GLU CA C 23 59.072 59.490 -0.418 1
1 158 . 15 1 1 A 23 23 GLU CB C 23 28.905 29.879 -0.974 1
1 160 . 15 1 1 A 23 23 GLU N N 23 118.309 119.884 -1.575 1
1 161 . 15 1 1 A 24 24 LYS H H 24 7.898 7.950 -0.052 1
1 162 . 15 1 1 A 24 24 LYS HA H 24 4.170 4.050 0.120 1
1 170 . 15 1 1 A 24 24 LYS C C 24 179.672 178.209 1.463 1
1 171 . 15 1 1 A 24 24 LYS CA C 24 59.144 58.987 0.157 1
1 172 . 15 1 1 A 24 24 LYS CB C 24 32.082 32.113 -0.031 1
1 176 . 15 1 1 A 24 24 LYS N N 24 119.449 121.428 -1.979 1
1 177 . 15 1 1 A 25 25 GLU H H 25 7.887 7.562 0.325 1
1 178 . 15 1 1 A 25 25 GLU HA H 25 4.596 4.152 0.444 1
1 183 . 15 1 1 A 25 25 GLU C C 25 177.923 179.070 -1.147 1
1 184 . 15 1 1 A 25 25 GLU CA C 25 58.799 58.973 -0.174 1
1 185 . 15 1 1 A 25 25 GLU CB C 25 28.787 29.474 -0.687 1
1 187 . 15 1 1 A 25 25 GLU N N 25 121.941 118.461 3.480 1
1 188 . 15 1 1 A 26 26 PHE H H 26 8.843 8.246 0.597 1
1 189 . 15 1 1 A 26 26 PHE HA H 26 4.865 4.483 0.382 1
1 197 . 15 1 1 A 26 26 PHE C C 26 176.380 177.865 -1.485 1
1 198 . 15 1 1 A 26 26 PHE CA C 26 60.798 60.873 -0.075 1
1 199 . 15 1 1 A 26 26 PHE CB C 26 38.969 38.760 0.209 1
1 205 . 15 1 1 A 26 26 PHE N N 26 121.919 120.931 0.988 1
1 206 . 15 1 1 A 27 27 GLU H H 27 7.839 8.998 -1.159 1
1 207 . 15 1 1 A 27 27 GLU HA H 27 3.952 4.205 -0.253 1
1 212 . 15 1 1 A 27 27 GLU C C 27 178.335 178.226 0.109 1
1 213 . 15 1 1 A 27 27 GLU CA C 27 58.650 58.533 0.117 1
1 214 . 15 1 1 A 27 27 GLU CB C 27 29.772 28.153 1.619 1
1 216 . 15 1 1 A 27 27 GLU N N 27 115.144 117.299 -2.155 1
1 217 . 15 1 1 A 28 28 ARG H H 28 7.573 8.007 -0.434 1
1 218 . 15 1 1 A 28 28 ARG HA H 28 4.109 4.258 -0.149 1
1 225 . 15 1 1 A 28 28 ARG C C 28 177.059 175.528 1.531 1
1 226 . 15 1 1 A 28 28 ARG CA C 28 58.740 57.412 1.328 1
1 227 . 15 1 1 A 28 28 ARG CB C 28 30.995 31.628 -0.633 1
1 230 . 15 1 1 A 28 28 ARG N N 28 120.497 119.835 0.662 1
1 231 . 15 1 1 A 29 29 THR H H 29 8.786 7.479 1.307 1
1 232 . 15 1 1 A 29 29 THR HA H 29 4.291 4.462 -0.171 1
1 237 . 15 1 1 A 29 29 THR C C 29 170.391 173.398 -3.007 1
1 238 . 15 1 1 A 29 29 THR CA C 29 59.674 60.520 -0.846 1
1 239 . 15 1 1 A 29 29 THR CB C 29 68.880 71.545 -2.665 1
1 241 . 15 1 1 A 29 29 THR N N 29 114.915 111.912 3.003 1
1 242 . 15 1 1 A 30 30 HIS H H 30 8.292 8.417 -0.125 1
1 243 . 15 1 1 A 30 30 HIS HA H 30 4.420 3.647 0.773 1
1 248 . 15 1 1 A 30 30 HIS C C 30 174.569 174.365 0.204 1
1 249 . 15 1 1 A 30 30 HIS CA C 30 54.798 57.228 -2.430 1
1 250 . 15 1 1 A 30 30 HIS CB C 30 30.629 29.145 1.484 1
1 253 . 15 1 1 A 30 30 HIS N N 30 122.126 124.748 -2.622 1
1 254 . 15 1 1 A 31 31 TYR H H 31 8.179 7.354 0.825 1
1 255 . 15 1 1 A 31 31 TYR HA H 31 4.731 4.948 -0.217 1
1 262 . 15 1 1 A 31 31 TYR C C 31 172.551 172.936 -0.385 1
1 263 . 15 1 1 A 31 31 TYR CA C 31 55.259 55.048 0.211 1
1 264 . 15 1 1 A 31 31 TYR CB C 31 39.362 38.378 0.984 1
1 269 . 15 1 1 A 31 31 TYR N N 31 115.063 117.608 -2.545 1
1 270 . 15 1 1 A 32 32 PRO HA H 32 4.256 4.633 -0.377 1
1 277 . 15 1 1 A 32 32 PRO C C 32 177.388 176.918 0.470 1
1 278 . 15 1 1 A 32 32 PRO CA C 32 62.903 62.451 0.452 1
1 279 . 15 1 1 A 32 32 PRO CB C 32 30.896 31.497 -0.601 1
1 282 . 15 1 1 A 33 33 ASP H H 33 8.457 8.617 -0.160 1
1 283 . 15 1 1 A 33 33 ASP HA H 33 4.495 4.652 -0.157 1
1 286 . 15 1 1 A 33 33 ASP C C 33 175.824 177.550 -1.726 1
1 287 . 15 1 1 A 33 33 ASP CA C 33 52.776 54.534 -1.758 1
1 288 . 15 1 1 A 33 33 ASP CB C 33 41.174 41.956 -0.782 1
1 289 . 15 1 1 A 33 33 ASP N N 33 124.636 122.242 2.394 1
1 290 . 15 1 1 A 34 34 VAL H H 34 8.331 8.524 -0.193 1
1 291 . 15 1 1 A 34 34 VAL HA H 34 3.488 3.816 -0.328 1
1 299 . 15 1 1 A 34 34 VAL C C 34 176.133 177.446 -1.313 1
1 300 . 15 1 1 A 34 34 VAL CA C 34 66.176 65.147 1.029 1
1 301 . 15 1 1 A 34 34 VAL CB C 34 31.401 31.523 -0.122 1
1 304 . 15 1 1 A 34 34 VAL N N 34 117.908 124.176 -6.268 1
1 305 . 15 1 1 A 35 35 PHE H H 35 7.127 7.821 -0.694 1
1 306 . 15 1 1 A 35 35 PHE HA H 35 4.339 4.202 0.137 1
1 314 . 15 1 1 A 35 35 PHE C C 35 178.808 177.039 1.769 1
1 315 . 15 1 1 A 35 35 PHE CA C 35 60.335 61.293 -0.958 1
1 316 . 15 1 1 A 35 35 PHE CB C 35 37.927 37.863 0.064 1
1 322 . 15 1 1 A 35 35 PHE N N 35 120.263 120.412 -0.149 1
1 323 . 15 1 1 A 36 36 ALA H H 36 8.428 7.945 0.483 1
1 324 . 15 1 1 A 36 36 ALA HA H 36 4.094 4.407 -0.313 1
1 328 . 15 1 1 A 36 36 ALA C C 36 181.812 179.156 2.656 1
1 329 . 15 1 1 A 36 36 ALA CA C 36 55.062 54.328 0.734 1
1 330 . 15 1 1 A 36 36 ALA CB C 36 18.484 19.606 -1.122 1
1 331 . 15 1 1 A 36 36 ALA N N 36 123.569 122.161 1.408 1
1 332 . 15 1 1 A 37 37 ARG H H 37 8.695 7.897 0.798 1
1 333 . 15 1 1 A 37 37 ARG HA H 37 3.920 4.049 -0.129 1
1 341 . 15 1 1 A 37 37 ARG C C 37 178.232 178.900 -0.668 1
1 342 . 15 1 1 A 37 37 ARG CA C 37 61.034 59.687 1.347 1
1 343 . 15 1 1 A 37 37 ARG CB C 37 31.263 29.902 1.361 1
1 346 . 15 1 1 A 37 37 ARG N N 37 117.907 117.852 0.055 1
1 348 . 15 1 1 A 38 38 GLU H H 38 8.531 8.121 0.410 1
1 349 . 15 1 1 A 38 38 GLU HA H 38 4.051 4.087 -0.036 1
1 354 . 15 1 1 A 38 38 GLU C C 38 179.940 179.403 0.537 1
1 355 . 15 1 1 A 38 38 GLU CA C 38 59.765 59.302 0.463 1
1 356 . 15 1 1 A 38 38 GLU CB C 38 29.456 29.201 0.255 1
1 358 . 15 1 1 A 38 38 GLU N N 38 119.688 119.668 0.020 1
1 359 . 15 1 1 A 39 39 ARG H H 39 8.096 8.039 0.057 1
1 360 . 15 1 1 A 39 39 ARG HA H 39 4.130 4.118 0.012 1
1 366 . 15 1 1 A 39 39 ARG C C 39 179.425 178.910 0.515 1
1 367 . 15 1 1 A 39 39 ARG CA C 39 59.368 58.939 0.429 1
1 368 . 15 1 1 A 39 39 ARG CB C 39 30.300 29.835 0.465 1
1 371 . 15 1 1 A 39 39 ARG N N 39 120.527 120.211 0.316 1
1 372 . 15 1 1 A 40 40 LEU H H 40 7.933 8.220 -0.287 1
1 373 . 15 1 1 A 40 40 LEU HA H 40 4.121 4.085 0.036 1
1 383 . 15 1 1 A 40 40 LEU C C 40 177.861 178.194 -0.333 1
1 384 . 15 1 1 A 40 40 LEU CA C 40 57.807 57.723 0.084 1
1 385 . 15 1 1 A 40 40 LEU CB C 40 42.446 41.397 1.049 1
1 389 . 15 1 1 A 40 40 LEU N N 40 121.371 121.403 -0.032 1
1 390 . 15 1 1 A 41 41 ALA H H 41 8.537 8.547 -0.010 1
1 391 . 15 1 1 A 41 41 ALA HA H 41 4.102 4.277 -0.175 1
1 395 . 15 1 1 A 41 41 ALA C C 41 180.372 179.178 1.194 1
1 396 . 15 1 1 A 41 41 ALA CA C 41 56.060 55.383 0.677 1
1 397 . 15 1 1 A 41 41 ALA CB C 41 18.892 18.505 0.387 1
1 398 . 15 1 1 A 41 41 ALA N N 41 121.892 120.512 1.380 1
1 399 . 15 1 1 A 42 42 ALA H H 42 7.400 7.340 0.060 1
1 400 . 15 1 1 A 42 42 ALA HA H 42 4.242 4.218 0.024 1
1 404 . 15 1 1 A 42 42 ALA C C 42 179.631 180.185 -0.554 1
1 405 . 15 1 1 A 42 42 ALA CA C 42 53.951 53.797 0.154 1
1 406 . 15 1 1 A 42 42 ALA CB C 42 18.484 19.012 -0.528 1
1 407 . 15 1 1 A 42 42 ALA N N 42 116.807 119.794 -2.987 1
1 408 . 15 1 1 A 43 43 LYS H H 43 7.781 8.313 -0.532 1
1 409 . 15 1 1 A 43 43 LYS HA H 43 4.229 4.042 0.187 1
1 417 . 15 1 1 A 43 43 LYS C C 43 178.746 178.126 0.620 1
1 418 . 15 1 1 A 43 43 LYS CA C 43 58.710 58.922 -0.212 1
1 419 . 15 1 1 A 43 43 LYS CB C 43 33.610 32.273 1.337 1
1 423 . 15 1 1 A 43 43 LYS N N 43 118.433 118.556 -0.123 1
1 424 . 15 1 1 A 44 44 ILE H H 44 8.094 7.657 0.437 1
1 425 . 15 1 1 A 44 44 ILE HA H 44 4.655 4.329 0.326 1
1 435 . 15 1 1 A 44 44 ILE C C 44 175.042 175.412 -0.370 1
1 436 . 15 1 1 A 44 44 ILE CA C 44 60.606 60.076 0.530 1
1 437 . 15 1 1 A 44 44 ILE CB C 44 38.341 38.416 -0.075 1
1 441 . 15 1 1 A 44 44 ILE N N 44 108.112 111.193 -3.081 1
1 442 . 15 1 1 A 45 45 ASP H H 45 7.811 8.224 -0.413 1
1 443 . 15 1 1 A 45 45 ASP HA H 45 4.333 4.228 0.105 1
1 446 . 15 1 1 A 45 45 ASP C C 45 173.848 174.603 -0.755 1
1 447 . 15 1 1 A 45 45 ASP CA C 45 55.065 55.298 -0.233 1
1 448 . 15 1 1 A 45 45 ASP CB C 45 39.031 39.896 -0.865 1
1 449 . 15 1 1 A 45 45 ASP N N 45 121.798 121.873 -0.075 1
1 450 . 15 1 1 A 46 46 LEU H H 46 7.550 7.996 -0.446 1
1 451 . 15 1 1 A 46 46 LEU HA H 46 4.990 4.846 0.144 1
1 461 . 15 1 1 A 46 46 LEU C C 46 173.536 174.729 -1.193 1
1 462 . 15 1 1 A 46 46 LEU CA C 46 51.364 51.348 0.016 1
1 463 . 15 1 1 A 46 46 LEU CB C 46 47.443 44.373 3.070 1
1 467 . 15 1 1 A 46 46 LEU N N 46 118.454 119.587 -1.133 1
1 468 . 15 1 1 A 47 47 PRO HA H 47 4.548 4.641 -0.093 1
1 475 . 15 1 1 A 47 47 PRO C C 47 178.417 177.876 0.541 1
1 476 . 15 1 1 A 47 47 PRO CA C 47 62.268 62.771 -0.503 1
1 477 . 15 1 1 A 47 47 PRO CB C 47 32.600 32.457 0.143 1
1 480 . 15 1 1 A 48 48 GLU H H 48 9.253 9.044 0.209 1
1 481 . 15 1 1 A 48 48 GLU HA H 48 3.799 4.020 -0.221 1
1 486 . 15 1 1 A 48 48 GLU C C 48 178.273 177.945 0.328 1
1 487 . 15 1 1 A 48 48 GLU CA C 48 61.083 59.419 1.664 1
1 488 . 15 1 1 A 48 48 GLU CB C 48 28.815 29.608 -0.793 1
1 490 . 15 1 1 A 48 48 GLU N N 48 126.081 124.307 1.774 1
1 491 . 15 1 1 A 49 49 ALA H H 49 8.923 7.965 0.958 1
1 492 . 15 1 1 A 49 49 ALA HA H 49 4.128 4.242 -0.114 1
1 496 . 15 1 1 A 49 49 ALA C C 49 181.277 179.637 1.640 1
1 497 . 15 1 1 A 49 49 ALA CA C 49 55.569 54.526 1.043 1
1 498 . 15 1 1 A 49 49 ALA CB C 49 18.681 18.620 0.061 1
1 499 . 15 1 1 A 49 49 ALA N N 49 119.313 123.090 -3.777 1
1 500 . 15 1 1 A 50 50 ARG H H 50 7.417 8.049 -0.632 1
1 501 . 15 1 1 A 50 50 ARG HA H 50 4.348 4.200 0.148 1
1 508 . 15 1 1 A 50 50 ARG C C 50 179.425 178.526 0.899 1
1 509 . 15 1 1 A 50 50 ARG CA C 50 57.978 59.721 -1.743 1
1 510 . 15 1 1 A 50 50 ARG CB C 50 29.723 30.576 -0.853 1
1 513 . 15 1 1 A 50 50 ARG N N 50 114.567 118.159 -3.592 1
1 514 . 15 1 1 A 51 51 ILE H H 51 7.785 8.021 -0.236 1
1 515 . 15 1 1 A 51 51 ILE HA H 51 3.816 3.844 -0.028 1
1 525 . 15 1 1 A 51 51 ILE C C 51 178.088 177.975 0.113 1
1 526 . 15 1 1 A 51 51 ILE CA C 51 65.848 65.173 0.675 1
1 527 . 15 1 1 A 51 51 ILE CB C 51 37.785 37.947 -0.162 1
1 531 . 15 1 1 A 51 51 ILE N N 51 121.669 120.913 0.756 1
1 532 . 15 1 1 A 52 52 GLN H H 52 8.478 8.389 0.089 1
1 533 . 15 1 1 A 52 52 GLN HA H 52 4.423 3.996 0.427 1
1 539 . 15 1 1 A 52 52 GLN C C 52 179.364 178.774 0.590 1
1 540 . 15 1 1 A 52 52 GLN CA C 52 60.232 58.936 1.296 1
1 541 . 15 1 1 A 52 52 GLN CB C 52 28.945 28.437 0.508 1
1 543 . 15 1 1 A 52 52 GLN N N 52 118.943 118.572 0.371 1
1 545 . 15 1 1 A 53 53 VAL H H 53 7.582 7.999 -0.417 1
1 546 . 15 1 1 A 53 53 VAL HA H 53 3.842 3.695 0.147 1
1 554 . 15 1 1 A 53 53 VAL C C 53 177.800 178.136 -0.336 1
1 555 . 15 1 1 A 53 53 VAL CA C 53 66.633 66.532 0.101 1
1 556 . 15 1 1 A 53 53 VAL CB C 53 32.241 31.793 0.448 1
1 559 . 15 1 1 A 53 53 VAL N N 53 120.375 120.150 0.225 1
1 560 . 15 1 1 A 54 54 TRP H H 54 8.390 8.509 -0.119 1
1 561 . 15 1 1 A 54 54 TRP HA H 54 4.050 4.135 -0.085 1
1 570 . 15 1 1 A 54 54 TRP C C 54 180.084 177.697 2.387 1
1 571 . 15 1 1 A 54 54 TRP CA C 54 63.229 60.637 2.592 1
1 572 . 15 1 1 A 54 54 TRP CB C 54 28.726 29.666 -0.940 1
1 578 . 15 1 1 A 54 54 TRP N N 54 121.414 121.151 0.263 1
1 580 . 15 1 1 A 55 55 PHE H H 55 9.127 8.174 0.953 1
1 581 . 15 1 1 A 55 55 PHE HA H 55 3.771 4.601 -0.830 1
1 589 . 15 1 1 A 55 55 PHE C C 55 178.170 178.477 -0.307 1
1 590 . 15 1 1 A 55 55 PHE CA C 55 63.826 61.265 2.561 1
1 591 . 15 1 1 A 55 55 PHE CB C 55 39.195 39.309 -0.114 1
1 597 . 15 1 1 A 55 55 PHE N N 55 118.358 116.843 1.515 1
1 598 . 15 1 1 A 56 56 SER H H 56 8.267 8.487 -0.220 1
1 599 . 15 1 1 A 56 56 SER HA H 56 4.148 4.137 0.011 1
1 602 . 15 1 1 A 56 56 SER C C 56 178.376 177.352 1.024 1
1 603 . 15 1 1 A 56 56 SER CA C 56 62.578 61.847 0.731 1
1 604 . 15 1 1 A 56 56 SER CB C 56 62.412 63.182 -0.770 1
1 605 . 15 1 1 A 56 56 SER N N 56 115.049 115.515 -0.466 1
1 606 . 15 1 1 A 57 57 ASN H H 57 8.231 8.179 0.052 1
1 607 . 15 1 1 A 57 57 ASN HA H 57 4.411 4.447 -0.036 1
1 612 . 15 1 1 A 57 57 ASN C C 57 177.573 178.497 -0.924 1
1 613 . 15 1 1 A 57 57 ASN CA C 57 55.698 56.209 -0.511 1
1 614 . 15 1 1 A 57 57 ASN CB C 57 37.827 37.663 0.164 1
1 615 . 15 1 1 A 57 57 ASN N N 57 120.846 120.079 0.767 1
1 617 . 15 1 1 A 58 58 ARG H H 58 8.531 7.677 0.854 1
1 618 . 15 1 1 A 58 58 ARG HA H 58 3.533 3.613 -0.080 1
1 626 . 15 1 1 A 58 58 ARG C C 58 179.919 179.249 0.670 1
1 627 . 15 1 1 A 58 58 ARG CA C 58 56.451 59.501 -3.050 1
1 628 . 15 1 1 A 58 58 ARG CB C 58 27.981 29.502 -1.521 1
1 631 . 15 1 1 A 58 58 ARG N N 58 124.704 120.028 4.676 1
1 633 . 15 1 1 A 59 59 ARG H H 59 8.496 8.155 0.341 1
1 634 . 15 1 1 A 59 59 ARG HA H 59 4.072 4.199 -0.127 1
1 641 . 15 1 1 A 59 59 ARG C C 59 178.520 179.373 -0.853 1
1 642 . 15 1 1 A 59 59 ARG CA C 59 60.970 59.681 1.289 1
1 643 . 15 1 1 A 59 59 ARG CB C 59 31.601 30.029 1.572 1
1 646 . 15 1 1 A 59 59 ARG N N 59 120.108 119.655 0.453 1
1 647 . 15 1 1 A 60 60 ALA H H 60 7.487 7.703 -0.216 1
1 648 . 15 1 1 A 60 60 ALA HA H 60 4.197 4.124 0.073 1
1 652 . 15 1 1 A 60 60 ALA C C 60 180.475 180.112 0.363 1
1 653 . 15 1 1 A 60 60 ALA CA C 60 55.547 54.943 0.604 1
1 654 . 15 1 1 A 60 60 ALA CB C 60 17.635 18.338 -0.703 1
1 655 . 15 1 1 A 60 60 ALA N N 60 121.949 121.844 0.105 1
1 656 . 15 1 1 A 61 61 LYS H H 61 7.733 7.825 -0.092 1
1 657 . 15 1 1 A 61 61 LYS HA H 61 3.927 4.035 -0.108 1
1 666 . 15 1 1 A 61 61 LYS C C 61 177.656 178.697 -1.041 1
1 667 . 15 1 1 A 61 61 LYS CA C 61 59.590 58.851 0.739 1
1 668 . 15 1 1 A 61 61 LYS CB C 61 32.903 31.793 1.110 1
1 672 . 15 1 1 A 61 61 LYS N N 61 120.311 118.196 2.115 1
1 673 . 15 1 1 A 62 62 TRP H H 62 8.235 8.470 -0.235 1
1 674 . 15 1 1 A 62 62 TRP HA H 62 4.475 4.265 0.210 1
1 683 . 15 1 1 A 62 62 TRP C C 62 178.088 178.371 -0.283 1
1 684 . 15 1 1 A 62 62 TRP CA C 62 61.043 60.353 0.690 1
1 685 . 15 1 1 A 62 62 TRP CB C 62 29.113 29.459 -0.346 1
1 691 . 15 1 1 A 62 62 TRP N N 62 120.161 121.757 -1.596 1
1 693 . 15 1 1 A 63 63 ARG H H 63 8.579 8.684 -0.105 1
1 694 . 15 1 1 A 63 63 ARG HA H 63 3.762 3.737 0.025 1
1 701 . 15 1 1 A 63 63 ARG C C 63 179.220 178.757 0.463 1
1 702 . 15 1 1 A 63 63 ARG CA C 63 59.644 59.458 0.186 1
1 703 . 15 1 1 A 63 63 ARG CB C 63 30.498 29.936 0.562 1
1 706 . 15 1 1 A 63 63 ARG N N 63 117.951 119.365 -1.414 1
1 707 . 15 1 1 A 64 64 ARG H H 64 7.754 7.935 -0.181 1
1 708 . 15 1 1 A 64 64 ARG HA H 64 4.075 4.033 0.042 1
1 715 . 15 1 1 A 64 64 ARG C C 64 178.643 178.508 0.135 1
1 716 . 15 1 1 A 64 64 ARG CA C 64 59.313 59.065 0.248 1
1 717 . 15 1 1 A 64 64 ARG CB C 64 30.254 29.861 0.393 1
1 720 . 15 1 1 A 64 64 ARG N N 64 119.265 118.725 0.540 1
1 721 . 15 1 1 A 65 65 GLU H H 65 8.134 7.881 0.253 1
1 722 . 15 1 1 A 65 65 GLU HA H 65 3.988 4.055 -0.067 1
1 727 . 15 1 1 A 65 65 GLU C C 65 178.890 178.634 0.256 1
1 728 . 15 1 1 A 65 65 GLU CA C 65 58.891 59.057 -0.166 1
1 729 . 15 1 1 A 65 65 GLU CB C 65 29.228 29.289 -0.061 1
1 731 . 15 1 1 A 65 65 GLU N N 65 119.336 119.232 0.104 1
1 732 . 15 1 1 A 66 66 GLU H H 66 8.212 7.977 0.235 1
1 733 . 15 1 1 A 66 66 GLU HA H 66 3.804 3.773 0.031 1
1 738 . 15 1 1 A 66 66 GLU C C 66 178.273 178.579 -0.306 1
1 739 . 15 1 1 A 66 66 GLU CA C 66 58.714 59.082 -0.368 1
1 740 . 15 1 1 A 66 66 GLU CB C 66 29.493 28.836 0.657 1
1 742 . 15 1 1 A 66 66 GLU N N 66 121.135 119.970 1.165 1
1 743 . 15 1 1 A 67 67 LYS H H 67 7.663 7.777 -0.114 1
1 744 . 15 1 1 A 67 67 LYS HA H 67 4.044 4.026 0.018 1
1 752 . 15 1 1 A 67 67 LYS C C 67 178.787 178.978 -0.191 1
1 753 . 15 1 1 A 67 67 LYS CA C 67 58.801 58.915 -0.114 1
1 754 . 15 1 1 A 67 67 LYS CB C 67 32.239 32.475 -0.236 1
1 758 . 15 1 1 A 67 67 LYS N N 67 119.200 119.671 -0.471 1
1 759 . 15 1 1 A 68 68 LEU H H 68 7.631 7.895 -0.264 1
1 760 . 15 1 1 A 68 68 LEU HA H 68 4.155 3.920 0.235 1
1 770 . 15 1 1 A 68 68 LEU C C 68 179.055 179.320 -0.265 1
1 771 . 15 1 1 A 68 68 LEU CA C 68 56.903 57.764 -0.861 1
1 772 . 15 1 1 A 68 68 LEU CB C 68 41.850 41.478 0.372 1
1 776 . 15 1 1 A 68 68 LEU N N 68 118.976 120.005 -1.029 1
1 777 . 15 1 1 A 69 69 ARG H H 69 7.900 8.310 -0.410 1
1 778 . 15 1 1 A 69 69 ARG HA H 69 4.089 3.884 0.205 1
1 785 . 15 1 1 A 69 69 ARG C C 69 177.985 178.542 -0.557 1
1 786 . 15 1 1 A 69 69 ARG CA C 69 58.551 59.841 -1.290 1
1 787 . 15 1 1 A 69 69 ARG CB C 69 30.430 29.859 0.571 1
1 790 . 15 1 1 A 69 69 ARG N N 69 119.387 121.101 -1.714 1
1 791 . 15 1 1 A 70 70 ASN H H 70 8.088 8.463 -0.375 1
1 792 . 15 1 1 A 70 70 ASN HA H 70 4.633 4.452 0.181 1
1 797 . 15 1 1 A 70 70 ASN C C 70 176.194 177.578 -1.384 1
1 798 . 15 1 1 A 70 70 ASN CA C 70 54.463 56.651 -2.188 1
1 799 . 15 1 1 A 70 70 ASN CB C 70 38.805 39.814 -1.009 1
1 800 . 15 1 1 A 70 70 ASN N N 70 117.289 117.726 -0.437 1
1 802 . 15 1 1 A 71 71 GLN H H 71 8.017 7.921 0.096 1
1 803 . 15 1 1 A 71 71 GLN HA H 71 4.263 3.907 0.356 1
1 810 . 15 1 1 A 71 71 GLN C C 71 176.750 177.879 -1.129 1
1 811 . 15 1 1 A 71 71 GLN CA C 71 57.031 58.999 -1.968 1
1 812 . 15 1 1 A 71 71 GLN CB C 71 29.122 28.239 0.883 1
1 814 . 15 1 1 A 71 71 GLN N N 71 119.838 117.814 2.024 1
1 816 . 15 1 1 A 72 72 ARG H H 72 8.125 8.043 0.082 1
1 817 . 15 1 1 A 72 72 ARG HA H 72 4.312 3.983 0.329 1
1 823 . 15 1 1 A 72 72 ARG C C 72 176.729 177.384 -0.655 1
1 824 . 15 1 1 A 72 72 ARG CA C 72 56.840 59.113 -2.273 1
1 825 . 15 1 1 A 72 72 ARG CB C 72 30.500 29.602 0.898 1
1 828 . 15 1 1 A 72 72 ARG N N 72 120.534 119.655 0.879 1
1 829 . 15 1 1 A 73 73 ARG H H 73 8.148 7.315 0.833 1
1 830 . 15 1 1 A 73 73 ARG HA H 73 4.412 3.833 0.579 1
1 836 . 15 1 1 A 73 73 ARG C C 73 176.552 177.042 -0.490 1
1 837 . 15 1 1 A 73 73 ARG CA C 73 56.445 56.962 -0.517 1
1 838 . 15 1 1 A 73 73 ARG CB C 73 30.676 30.525 0.151 1
1 841 . 15 1 1 A 73 73 ARG N N 73 121.356 120.065 1.291 1
1 842 . 15 1 1 A 74 74 GLN HA H 74 4.334 4.027 0.307 1
1 846 . 15 1 1 A 74 74 GLN CA C 74 56.127 56.677 -0.550 1
1 847 . 15 1 1 A 74 74 GLN CB C 74 29.362 26.457 2.905 1
1 849 . 15 1 1 A 76 76 GLY HA2 H 76 4.168 4.083 0.085 1
1 850 . 15 1 1 A 76 76 GLY HA3 H 76 4.168 4.083 0.085 1
1 851 . 15 1 1 A 76 76 GLY CA C 76 44.736 45.022 -0.286 1
1 852 . 15 1 1 A 77 77 PRO HA H 77 4.502 4.439 0.063 1
1 859 . 15 1 1 A 77 77 PRO CA C 77 63.330 64.294 -0.964 1
1 860 . 15 1 1 A 77 77 PRO CB C 77 32.217 31.931 0.286 1
1 863 . 15 1 1 A 79 79 SER HA H 79 4.524 4.257 0.267 1
1 865 . 15 1 1 A 79 79 SER C C 79 173.931 174.742 -0.811 1
1 866 . 15 1 1 A 79 79 SER CA C 79 58.409 60.934 -2.525 1
1 867 . 15 1 1 A 79 79 SER CB C 79 64.147 63.676 0.471 1
1 1 . 16 1 1 A 8 8 GLN H H 8 8.925 8.412 0.513 1
1 2 . 16 1 1 A 8 8 GLN HA H 8 4.398 5.120 -0.722 1
1 8 . 16 1 1 A 8 8 GLN CA C 8 56.051 54.401 1.650 1
1 9 . 16 1 1 A 8 8 GLN CB C 8 29.491 33.000 -3.509 1
1 12 . 16 1 1 A 12 12 THR HA H 12 4.352 5.194 -0.842 1
1 17 . 16 1 1 A 12 12 THR CA C 12 61.819 59.705 2.114 1
1 18 . 16 1 1 A 12 12 THR CB C 12 69.783 71.567 -1.784 1
1 20 . 16 1 1 A 13 13 SER HA H 13 4.465 4.564 -0.099 1
1 23 . 16 1 1 A 13 13 SER C C 13 173.828 174.526 -0.698 1
1 24 . 16 1 1 A 13 13 SER CA C 13 57.973 60.142 -2.169 1
1 25 . 16 1 1 A 13 13 SER CB C 13 64.246 64.677 -0.431 1
1 26 . 16 1 1 A 14 14 PHE H H 14 8.322 7.859 0.463 1
1 27 . 16 1 1 A 14 14 PHE HA H 14 5.035 4.630 0.405 1
1 35 . 16 1 1 A 14 14 PHE C C 14 176.750 175.320 1.430 1
1 36 . 16 1 1 A 14 14 PHE CA C 14 56.624 58.245 -1.621 1
1 37 . 16 1 1 A 14 14 PHE CB C 14 41.174 39.686 1.488 1
1 43 . 16 1 1 A 14 14 PHE N N 14 121.036 118.375 2.661 1
1 44 . 16 1 1 A 15 15 THR H H 15 8.944 8.686 0.258 1
1 45 . 16 1 1 A 15 15 THR HA H 15 4.529 5.024 -0.495 1
1 50 . 16 1 1 A 15 15 THR C C 15 175.433 175.487 -0.054 1
1 51 . 16 1 1 A 15 15 THR CA C 15 60.644 59.387 1.257 1
1 52 . 16 1 1 A 15 15 THR CB C 15 70.784 71.858 -1.074 1
1 54 . 16 1 1 A 15 15 THR N N 15 113.618 111.800 1.818 1
1 55 . 16 1 1 A 16 16 GLN H H 16 9.086 9.007 0.079 1
1 56 . 16 1 1 A 16 16 GLN HA H 16 4.016 3.986 0.030 1
1 63 . 16 1 1 A 16 16 GLN C C 16 178.149 177.495 0.654 1
1 64 . 16 1 1 A 16 16 GLN CA C 16 59.283 59.228 0.055 1
1 65 . 16 1 1 A 16 16 GLN CB C 16 27.943 28.285 -0.342 1
1 67 . 16 1 1 A 16 16 GLN N N 16 121.415 121.669 -0.254 1
1 69 . 16 1 1 A 17 17 GLU H H 17 8.837 8.275 0.562 1
1 70 . 16 1 1 A 17 17 GLU HA H 17 4.048 4.150 -0.102 1
1 75 . 16 1 1 A 17 17 GLU C C 17 180.248 178.521 1.727 1
1 76 . 16 1 1 A 17 17 GLU CA C 17 60.156 58.846 1.310 1
1 77 . 16 1 1 A 17 17 GLU CB C 17 29.125 29.347 -0.222 1
1 79 . 16 1 1 A 17 17 GLU N N 17 117.930 118.746 -0.816 1
1 80 . 16 1 1 A 18 18 GLN H H 18 7.738 8.189 -0.451 1
1 81 . 16 1 1 A 18 18 GLN HA H 18 3.809 4.210 -0.401 1
1 88 . 16 1 1 A 18 18 GLN C C 18 177.079 178.396 -1.317 1
1 89 . 16 1 1 A 18 18 GLN CA C 18 59.358 57.999 1.359 1
1 90 . 16 1 1 A 18 18 GLN CB C 18 27.338 28.991 -1.653 1
1 92 . 16 1 1 A 18 18 GLN N N 18 119.421 118.661 0.760 1
1 94 . 16 1 1 A 19 19 ILE H H 19 8.265 8.358 -0.093 1
1 95 . 16 1 1 A 19 19 ILE HA H 19 3.240 3.411 -0.171 1
1 105 . 16 1 1 A 19 19 ILE C C 19 177.409 177.758 -0.349 1
1 106 . 16 1 1 A 19 19 ILE CA C 19 64.693 65.355 -0.662 1
1 107 . 16 1 1 A 19 19 ILE CB C 19 37.544 37.475 0.069 1
1 111 . 16 1 1 A 19 19 ILE N N 19 118.326 121.547 -3.221 1
1 112 . 16 1 1 A 20 20 GLU H H 20 8.304 8.109 0.195 1
1 113 . 16 1 1 A 20 20 GLU HA H 20 3.916 4.046 -0.130 1
1 118 . 16 1 1 A 20 20 GLU C C 20 179.281 178.505 0.776 1
1 119 . 16 1 1 A 20 20 GLU CA C 20 59.674 59.059 0.615 1
1 120 . 16 1 1 A 20 20 GLU CB C 20 29.369 29.434 -0.065 1
1 122 . 16 1 1 A 20 20 GLU N N 20 117.948 120.077 -2.129 1
1 123 . 16 1 1 A 21 21 ALA H H 21 7.335 7.810 -0.475 1
1 124 . 16 1 1 A 21 21 ALA HA H 21 4.095 4.051 0.044 1
1 128 . 16 1 1 A 21 21 ALA C C 21 180.825 180.381 0.444 1
1 129 . 16 1 1 A 21 21 ALA CA C 21 54.885 54.423 0.462 1
1 130 . 16 1 1 A 21 21 ALA CB C 21 19.190 18.270 0.920 1
1 131 . 16 1 1 A 21 21 ALA N N 21 120.460 122.341 -1.881 1
1 132 . 16 1 1 A 22 22 LEU H H 22 8.100 8.018 0.082 1
1 133 . 16 1 1 A 22 22 LEU HA H 22 3.490 3.771 -0.281 1
1 143 . 16 1 1 A 22 22 LEU C C 22 177.861 178.823 -0.962 1
1 144 . 16 1 1 A 22 22 LEU CA C 22 58.530 57.051 1.479 1
1 145 . 16 1 1 A 22 22 LEU CB C 22 37.691 40.357 -2.666 1
1 149 . 16 1 1 A 22 22 LEU N N 22 122.412 120.568 1.844 1
1 150 . 16 1 1 A 23 23 GLU H H 23 8.534 8.391 0.143 1
1 151 . 16 1 1 A 23 23 GLU HA H 23 4.360 4.151 0.209 1
1 156 . 16 1 1 A 23 23 GLU C C 23 180.413 179.452 0.961 1
1 157 . 16 1 1 A 23 23 GLU CA C 23 59.072 59.621 -0.549 1
1 158 . 16 1 1 A 23 23 GLU CB C 23 28.905 29.645 -0.740 1
1 160 . 16 1 1 A 23 23 GLU N N 23 118.309 119.746 -1.437 1
1 161 . 16 1 1 A 24 24 LYS H H 24 7.898 7.962 -0.064 1
1 162 . 16 1 1 A 24 24 LYS HA H 24 4.170 3.980 0.190 1
1 170 . 16 1 1 A 24 24 LYS C C 24 179.672 178.931 0.741 1
1 171 . 16 1 1 A 24 24 LYS CA C 24 59.144 59.505 -0.361 1
1 172 . 16 1 1 A 24 24 LYS CB C 24 32.082 32.384 -0.302 1
1 176 . 16 1 1 A 24 24 LYS N N 24 119.449 120.596 -1.147 1
1 177 . 16 1 1 A 25 25 GLU H H 25 7.887 7.686 0.201 1
1 178 . 16 1 1 A 25 25 GLU HA H 25 4.596 4.141 0.455 1
1 183 . 16 1 1 A 25 25 GLU C C 25 177.923 179.253 -1.330 1
1 184 . 16 1 1 A 25 25 GLU CA C 25 58.799 59.162 -0.363 1
1 185 . 16 1 1 A 25 25 GLU CB C 25 28.787 29.288 -0.501 1
1 187 . 16 1 1 A 25 25 GLU N N 25 121.941 119.086 2.855 1
1 188 . 16 1 1 A 26 26 PHE H H 26 8.843 7.988 0.855 1
1 189 . 16 1 1 A 26 26 PHE HA H 26 4.865 4.460 0.405 1
1 197 . 16 1 1 A 26 26 PHE C C 26 176.380 178.005 -1.625 1
1 198 . 16 1 1 A 26 26 PHE CA C 26 60.798 61.062 -0.264 1
1 199 . 16 1 1 A 26 26 PHE CB C 26 38.969 38.935 0.034 1
1 205 . 16 1 1 A 26 26 PHE N N 26 121.919 120.779 1.140 1
1 206 . 16 1 1 A 27 27 GLU H H 27 7.839 8.810 -0.971 1
1 207 . 16 1 1 A 27 27 GLU HA H 27 3.952 4.061 -0.109 1
1 212 . 16 1 1 A 27 27 GLU C C 27 178.335 178.748 -0.413 1
1 213 . 16 1 1 A 27 27 GLU CA C 27 58.650 60.463 -1.813 1
1 214 . 16 1 1 A 27 27 GLU CB C 27 29.772 29.236 0.536 1
1 216 . 16 1 1 A 27 27 GLU N N 27 115.144 117.694 -2.550 1
1 217 . 16 1 1 A 28 28 ARG H H 28 7.573 7.802 -0.229 1
1 218 . 16 1 1 A 28 28 ARG HA H 28 4.109 4.183 -0.074 1
1 225 . 16 1 1 A 28 28 ARG C C 28 177.059 175.682 1.377 1
1 226 . 16 1 1 A 28 28 ARG CA C 28 58.740 58.067 0.673 1
1 227 . 16 1 1 A 28 28 ARG CB C 28 30.995 31.669 -0.674 1
1 230 . 16 1 1 A 28 28 ARG N N 28 120.497 119.109 1.388 1
1 231 . 16 1 1 A 29 29 THR H H 29 8.786 7.755 1.031 1
1 232 . 16 1 1 A 29 29 THR HA H 29 4.291 4.569 -0.278 1
1 237 . 16 1 1 A 29 29 THR C C 29 170.391 173.708 -3.317 1
1 238 . 16 1 1 A 29 29 THR CA C 29 59.674 60.328 -0.654 1
1 239 . 16 1 1 A 29 29 THR CB C 29 68.880 71.340 -2.460 1
1 241 . 16 1 1 A 29 29 THR N N 29 114.915 111.722 3.193 1
1 242 . 16 1 1 A 30 30 HIS H H 30 8.292 8.501 -0.209 1
1 243 . 16 1 1 A 30 30 HIS HA H 30 4.420 3.476 0.944 1
1 248 . 16 1 1 A 30 30 HIS C C 30 174.569 174.298 0.271 1
1 249 . 16 1 1 A 30 30 HIS CA C 30 54.798 56.863 -2.065 1
1 250 . 16 1 1 A 30 30 HIS CB C 30 30.629 29.082 1.547 1
1 253 . 16 1 1 A 30 30 HIS N N 30 122.126 125.623 -3.497 1
1 254 . 16 1 1 A 31 31 TYR H H 31 8.179 7.301 0.878 1
1 255 . 16 1 1 A 31 31 TYR HA H 31 4.731 4.907 -0.176 1
1 262 . 16 1 1 A 31 31 TYR C C 31 172.551 172.904 -0.353 1
1 263 . 16 1 1 A 31 31 TYR CA C 31 55.259 54.948 0.311 1
1 264 . 16 1 1 A 31 31 TYR CB C 31 39.362 38.357 1.005 1
1 269 . 16 1 1 A 31 31 TYR N N 31 115.063 117.661 -2.598 1
1 270 . 16 1 1 A 32 32 PRO HA H 32 4.256 4.546 -0.290 1
1 277 . 16 1 1 A 32 32 PRO C C 32 177.388 177.024 0.364 1
1 278 . 16 1 1 A 32 32 PRO CA C 32 62.903 62.391 0.512 1
1 279 . 16 1 1 A 32 32 PRO CB C 32 30.896 31.356 -0.460 1
1 282 . 16 1 1 A 33 33 ASP H H 33 8.457 8.611 -0.154 1
1 283 . 16 1 1 A 33 33 ASP HA H 33 4.495 4.688 -0.193 1
1 286 . 16 1 1 A 33 33 ASP C C 33 175.824 177.551 -1.727 1
1 287 . 16 1 1 A 33 33 ASP CA C 33 52.776 53.996 -1.220 1
1 288 . 16 1 1 A 33 33 ASP CB C 33 41.174 42.146 -0.972 1
1 289 . 16 1 1 A 33 33 ASP N N 33 124.636 122.214 2.422 1
1 290 . 16 1 1 A 34 34 VAL H H 34 8.331 8.467 -0.136 1
1 291 . 16 1 1 A 34 34 VAL HA H 34 3.488 3.800 -0.312 1
1 299 . 16 1 1 A 34 34 VAL C C 34 176.133 177.445 -1.312 1
1 300 . 16 1 1 A 34 34 VAL CA C 34 66.176 65.145 1.031 1
1 301 . 16 1 1 A 34 34 VAL CB C 34 31.401 31.379 0.022 1
1 304 . 16 1 1 A 34 34 VAL N N 34 117.908 123.436 -5.528 1
1 305 . 16 1 1 A 35 35 PHE H H 35 7.127 7.707 -0.580 1
1 306 . 16 1 1 A 35 35 PHE HA H 35 4.339 4.165 0.174 1
1 314 . 16 1 1 A 35 35 PHE C C 35 178.808 177.082 1.726 1
1 315 . 16 1 1 A 35 35 PHE CA C 35 60.335 61.595 -1.260 1
1 316 . 16 1 1 A 35 35 PHE CB C 35 37.927 37.843 0.084 1
1 322 . 16 1 1 A 35 35 PHE N N 35 120.263 120.201 0.062 1
1 323 . 16 1 1 A 36 36 ALA H H 36 8.428 7.900 0.528 1
1 324 . 16 1 1 A 36 36 ALA HA H 36 4.094 4.390 -0.296 1
1 328 . 16 1 1 A 36 36 ALA C C 36 181.812 179.140 2.672 1
1 329 . 16 1 1 A 36 36 ALA CA C 36 55.062 54.334 0.728 1
1 330 . 16 1 1 A 36 36 ALA CB C 36 18.484 19.308 -0.824 1
1 331 . 16 1 1 A 36 36 ALA N N 36 123.569 121.809 1.760 1
1 332 . 16 1 1 A 37 37 ARG H H 37 8.695 8.299 0.396 1
1 333 . 16 1 1 A 37 37 ARG HA H 37 3.920 4.031 -0.111 1
1 341 . 16 1 1 A 37 37 ARG C C 37 178.232 178.902 -0.670 1
1 342 . 16 1 1 A 37 37 ARG CA C 37 61.034 59.855 1.179 1
1 343 . 16 1 1 A 37 37 ARG CB C 37 31.263 29.812 1.451 1
1 346 . 16 1 1 A 37 37 ARG N N 37 117.907 117.483 0.424 1
1 348 . 16 1 1 A 38 38 GLU H H 38 8.531 8.227 0.304 1
1 349 . 16 1 1 A 38 38 GLU HA H 38 4.051 4.082 -0.031 1
1 354 . 16 1 1 A 38 38 GLU C C 38 179.940 179.367 0.573 1
1 355 . 16 1 1 A 38 38 GLU CA C 38 59.765 59.241 0.524 1
1 356 . 16 1 1 A 38 38 GLU CB C 38 29.456 29.145 0.311 1
1 358 . 16 1 1 A 38 38 GLU N N 38 119.688 119.692 -0.004 1
1 359 . 16 1 1 A 39 39 ARG H H 39 8.096 8.063 0.033 1
1 360 . 16 1 1 A 39 39 ARG HA H 39 4.130 4.055 0.075 1
1 366 . 16 1 1 A 39 39 ARG C C 39 179.425 178.962 0.463 1
1 367 . 16 1 1 A 39 39 ARG CA C 39 59.368 59.010 0.358 1
1 368 . 16 1 1 A 39 39 ARG CB C 39 30.300 29.932 0.368 1
1 371 . 16 1 1 A 39 39 ARG N N 39 120.527 120.432 0.095 1
1 372 . 16 1 1 A 40 40 LEU H H 40 7.933 8.242 -0.309 1
1 373 . 16 1 1 A 40 40 LEU HA H 40 4.121 4.077 0.044 1
1 383 . 16 1 1 A 40 40 LEU C C 40 177.861 178.225 -0.364 1
1 384 . 16 1 1 A 40 40 LEU CA C 40 57.807 57.546 0.261 1
1 385 . 16 1 1 A 40 40 LEU CB C 40 42.446 41.443 1.003 1
1 389 . 16 1 1 A 40 40 LEU N N 40 121.371 121.383 -0.012 1
1 390 . 16 1 1 A 41 41 ALA H H 41 8.537 8.443 0.094 1
1 391 . 16 1 1 A 41 41 ALA HA H 41 4.102 3.986 0.116 1
1 395 . 16 1 1 A 41 41 ALA C C 41 180.372 179.292 1.080 1
1 396 . 16 1 1 A 41 41 ALA CA C 41 56.060 55.426 0.634 1
1 397 . 16 1 1 A 41 41 ALA CB C 41 18.892 18.618 0.274 1
1 398 . 16 1 1 A 41 41 ALA N N 41 121.892 120.459 1.433 1
1 399 . 16 1 1 A 42 42 ALA H H 42 7.400 7.331 0.069 1
1 400 . 16 1 1 A 42 42 ALA HA H 42 4.242 4.181 0.061 1
1 404 . 16 1 1 A 42 42 ALA C C 42 179.631 180.037 -0.406 1
1 405 . 16 1 1 A 42 42 ALA CA C 42 53.951 53.636 0.315 1
1 406 . 16 1 1 A 42 42 ALA CB C 42 18.484 18.916 -0.432 1
1 407 . 16 1 1 A 42 42 ALA N N 42 116.807 119.828 -3.021 1
1 408 . 16 1 1 A 43 43 LYS H H 43 7.781 8.312 -0.531 1
1 409 . 16 1 1 A 43 43 LYS HA H 43 4.229 4.080 0.149 1
1 417 . 16 1 1 A 43 43 LYS C C 43 178.746 177.929 0.817 1
1 418 . 16 1 1 A 43 43 LYS CA C 43 58.710 58.571 0.139 1
1 419 . 16 1 1 A 43 43 LYS CB C 43 33.610 32.510 1.100 1
1 423 . 16 1 1 A 43 43 LYS N N 43 118.433 118.543 -0.110 1
1 424 . 16 1 1 A 44 44 ILE H H 44 8.094 7.380 0.714 1
1 425 . 16 1 1 A 44 44 ILE HA H 44 4.655 4.404 0.251 1
1 435 . 16 1 1 A 44 44 ILE C C 44 175.042 174.946 0.096 1
1 436 . 16 1 1 A 44 44 ILE CA C 44 60.606 60.056 0.550 1
1 437 . 16 1 1 A 44 44 ILE CB C 44 38.341 38.316 0.025 1
1 441 . 16 1 1 A 44 44 ILE N N 44 108.112 111.588 -3.476 1
1 442 . 16 1 1 A 45 45 ASP H H 45 7.811 7.985 -0.174 1
1 443 . 16 1 1 A 45 45 ASP HA H 45 4.333 4.206 0.127 1
1 446 . 16 1 1 A 45 45 ASP C C 45 173.848 174.432 -0.584 1
1 447 . 16 1 1 A 45 45 ASP CA C 45 55.065 55.377 -0.312 1
1 448 . 16 1 1 A 45 45 ASP CB C 45 39.031 38.858 0.173 1
1 449 . 16 1 1 A 45 45 ASP N N 45 121.798 118.299 3.499 1
1 450 . 16 1 1 A 46 46 LEU H H 46 7.550 8.016 -0.466 1
1 451 . 16 1 1 A 46 46 LEU HA H 46 4.990 4.827 0.163 1
1 461 . 16 1 1 A 46 46 LEU C C 46 173.536 174.348 -0.812 1
1 462 . 16 1 1 A 46 46 LEU CA C 46 51.364 51.318 0.046 1
1 463 . 16 1 1 A 46 46 LEU CB C 46 47.443 44.642 2.801 1
1 467 . 16 1 1 A 46 46 LEU N N 46 118.454 119.168 -0.714 1
1 468 . 16 1 1 A 47 47 PRO HA H 47 4.548 4.727 -0.179 1
1 475 . 16 1 1 A 47 47 PRO C C 47 178.417 177.860 0.557 1
1 476 . 16 1 1 A 47 47 PRO CA C 47 62.268 62.880 -0.612 1
1 477 . 16 1 1 A 47 47 PRO CB C 47 32.600 32.035 0.565 1
1 480 . 16 1 1 A 48 48 GLU H H 48 9.253 9.067 0.186 1
1 481 . 16 1 1 A 48 48 GLU HA H 48 3.799 4.029 -0.230 1
1 486 . 16 1 1 A 48 48 GLU C C 48 178.273 178.359 -0.086 1
1 487 . 16 1 1 A 48 48 GLU CA C 48 61.083 59.423 1.660 1
1 488 . 16 1 1 A 48 48 GLU CB C 48 28.815 29.376 -0.561 1
1 490 . 16 1 1 A 48 48 GLU N N 48 126.081 124.621 1.460 1
1 491 . 16 1 1 A 49 49 ALA H H 49 8.923 8.110 0.813 1
1 492 . 16 1 1 A 49 49 ALA HA H 49 4.128 4.143 -0.015 1
1 496 . 16 1 1 A 49 49 ALA C C 49 181.277 179.559 1.718 1
1 497 . 16 1 1 A 49 49 ALA CA C 49 55.569 55.028 0.541 1
1 498 . 16 1 1 A 49 49 ALA CB C 49 18.681 18.326 0.355 1
1 499 . 16 1 1 A 49 49 ALA N N 49 119.313 122.316 -3.003 1
1 500 . 16 1 1 A 50 50 ARG H H 50 7.417 8.229 -0.812 1
1 501 . 16 1 1 A 50 50 ARG HA H 50 4.348 4.181 0.167 1
1 508 . 16 1 1 A 50 50 ARG C C 50 179.425 178.688 0.737 1
1 509 . 16 1 1 A 50 50 ARG CA C 50 57.978 59.645 -1.667 1
1 510 . 16 1 1 A 50 50 ARG CB C 50 29.723 30.245 -0.522 1
1 513 . 16 1 1 A 50 50 ARG N N 50 114.567 117.984 -3.417 1
1 514 . 16 1 1 A 51 51 ILE H H 51 7.785 7.918 -0.133 1
1 515 . 16 1 1 A 51 51 ILE HA H 51 3.816 3.834 -0.018 1
1 525 . 16 1 1 A 51 51 ILE C C 51 178.088 178.085 0.003 1
1 526 . 16 1 1 A 51 51 ILE CA C 51 65.848 65.416 0.432 1
1 527 . 16 1 1 A 51 51 ILE CB C 51 37.785 37.709 0.076 1
1 531 . 16 1 1 A 51 51 ILE N N 51 121.669 121.027 0.642 1
1 532 . 16 1 1 A 52 52 GLN H H 52 8.478 7.816 0.662 1
1 533 . 16 1 1 A 52 52 GLN HA H 52 4.423 4.013 0.410 1
1 539 . 16 1 1 A 52 52 GLN C C 52 179.364 178.944 0.420 1
1 540 . 16 1 1 A 52 52 GLN CA C 52 60.232 58.943 1.289 1
1 541 . 16 1 1 A 52 52 GLN CB C 52 28.945 28.267 0.678 1
1 543 . 16 1 1 A 52 52 GLN N N 52 118.943 118.288 0.655 1
1 545 . 16 1 1 A 53 53 VAL H H 53 7.582 8.023 -0.441 1
1 546 . 16 1 1 A 53 53 VAL HA H 53 3.842 3.688 0.154 1
1 554 . 16 1 1 A 53 53 VAL C C 53 177.800 178.261 -0.461 1
1 555 . 16 1 1 A 53 53 VAL CA C 53 66.633 66.854 -0.221 1
1 556 . 16 1 1 A 53 53 VAL CB C 53 32.241 31.779 0.462 1
1 559 . 16 1 1 A 53 53 VAL N N 53 120.375 120.355 0.020 1
1 560 . 16 1 1 A 54 54 TRP H H 54 8.390 8.382 0.008 1
1 561 . 16 1 1 A 54 54 TRP HA H 54 4.050 4.142 -0.092 1
1 570 . 16 1 1 A 54 54 TRP C C 54 180.084 178.274 1.810 1
1 571 . 16 1 1 A 54 54 TRP CA C 54 63.229 61.005 2.224 1
1 572 . 16 1 1 A 54 54 TRP CB C 54 28.726 29.702 -0.976 1
1 578 . 16 1 1 A 54 54 TRP N N 54 121.414 121.431 -0.017 1
1 580 . 16 1 1 A 55 55 PHE H H 55 9.127 8.109 1.018 1
1 581 . 16 1 1 A 55 55 PHE HA H 55 3.771 4.563 -0.792 1
1 589 . 16 1 1 A 55 55 PHE C C 55 178.170 178.522 -0.352 1
1 590 . 16 1 1 A 55 55 PHE CA C 55 63.826 61.868 1.958 1
1 591 . 16 1 1 A 55 55 PHE CB C 55 39.195 38.945 0.250 1
1 597 . 16 1 1 A 55 55 PHE N N 55 118.358 117.398 0.960 1
1 598 . 16 1 1 A 56 56 SER H H 56 8.267 8.566 -0.299 1
1 599 . 16 1 1 A 56 56 SER HA H 56 4.148 4.148 0.000 1
1 602 . 16 1 1 A 56 56 SER C C 56 178.376 177.409 0.967 1
1 603 . 16 1 1 A 56 56 SER CA C 56 62.578 61.902 0.676 1
1 604 . 16 1 1 A 56 56 SER CB C 56 62.412 63.270 -0.858 1
1 605 . 16 1 1 A 56 56 SER N N 56 115.049 115.340 -0.291 1
1 606 . 16 1 1 A 57 57 ASN H H 57 8.231 8.247 -0.016 1
1 607 . 16 1 1 A 57 57 ASN HA H 57 4.411 4.427 -0.016 1
1 612 . 16 1 1 A 57 57 ASN C C 57 177.573 178.220 -0.647 1
1 613 . 16 1 1 A 57 57 ASN CA C 57 55.698 56.347 -0.649 1
1 614 . 16 1 1 A 57 57 ASN CB C 57 37.827 37.664 0.163 1
1 615 . 16 1 1 A 57 57 ASN N N 57 120.846 120.284 0.562 1
1 617 . 16 1 1 A 58 58 ARG H H 58 8.531 7.387 1.144 1
1 618 . 16 1 1 A 58 58 ARG HA H 58 3.533 3.632 -0.099 1
1 626 . 16 1 1 A 58 58 ARG C C 58 179.919 179.113 0.806 1
1 627 . 16 1 1 A 58 58 ARG CA C 58 56.451 59.653 -3.202 1
1 628 . 16 1 1 A 58 58 ARG CB C 58 27.981 29.656 -1.675 1
1 631 . 16 1 1 A 58 58 ARG N N 58 124.704 119.979 4.725 1
1 633 . 16 1 1 A 59 59 ARG H H 59 8.496 8.157 0.339 1
1 634 . 16 1 1 A 59 59 ARG HA H 59 4.072 4.252 -0.180 1
1 641 . 16 1 1 A 59 59 ARG C C 59 178.520 179.116 -0.596 1
1 642 . 16 1 1 A 59 59 ARG CA C 59 60.970 59.620 1.350 1
1 643 . 16 1 1 A 59 59 ARG CB C 59 31.601 29.984 1.617 1
1 646 . 16 1 1 A 59 59 ARG N N 59 120.108 119.798 0.310 1
1 647 . 16 1 1 A 60 60 ALA H H 60 7.487 7.876 -0.389 1
1 648 . 16 1 1 A 60 60 ALA HA H 60 4.197 4.141 0.056 1
1 652 . 16 1 1 A 60 60 ALA C C 60 180.475 180.174 0.301 1
1 653 . 16 1 1 A 60 60 ALA CA C 60 55.547 55.029 0.518 1
1 654 . 16 1 1 A 60 60 ALA CB C 60 17.635 18.294 -0.659 1
1 655 . 16 1 1 A 60 60 ALA N N 60 121.949 122.043 -0.094 1
1 656 . 16 1 1 A 61 61 LYS H H 61 7.733 8.113 -0.380 1
1 657 . 16 1 1 A 61 61 LYS HA H 61 3.927 4.015 -0.088 1
1 666 . 16 1 1 A 61 61 LYS C C 61 177.656 178.632 -0.976 1
1 667 . 16 1 1 A 61 61 LYS CA C 61 59.590 58.794 0.796 1
1 668 . 16 1 1 A 61 61 LYS CB C 61 32.903 31.818 1.085 1
1 672 . 16 1 1 A 61 61 LYS N N 61 120.311 118.432 1.879 1
1 673 . 16 1 1 A 62 62 TRP H H 62 8.235 8.264 -0.029 1
1 674 . 16 1 1 A 62 62 TRP HA H 62 4.475 4.283 0.192 1
1 683 . 16 1 1 A 62 62 TRP C C 62 178.088 178.383 -0.295 1
1 684 . 16 1 1 A 62 62 TRP CA C 62 61.043 60.502 0.541 1
1 685 . 16 1 1 A 62 62 TRP CB C 62 29.113 29.721 -0.608 1
1 691 . 16 1 1 A 62 62 TRP N N 62 120.161 121.880 -1.719 1
1 693 . 16 1 1 A 63 63 ARG H H 63 8.579 8.958 -0.379 1
1 694 . 16 1 1 A 63 63 ARG HA H 63 3.762 3.840 -0.078 1
1 701 . 16 1 1 A 63 63 ARG C C 63 179.220 178.418 0.802 1
1 702 . 16 1 1 A 63 63 ARG CA C 63 59.644 59.410 0.234 1
1 703 . 16 1 1 A 63 63 ARG CB C 63 30.498 30.067 0.431 1
1 706 . 16 1 1 A 63 63 ARG N N 63 117.951 118.899 -0.948 1
1 707 . 16 1 1 A 64 64 ARG H H 64 7.754 7.703 0.051 1
1 708 . 16 1 1 A 64 64 ARG HA H 64 4.075 4.052 0.023 1
1 715 . 16 1 1 A 64 64 ARG C C 64 178.643 178.472 0.171 1
1 716 . 16 1 1 A 64 64 ARG CA C 64 59.313 58.784 0.529 1
1 717 . 16 1 1 A 64 64 ARG CB C 64 30.254 30.147 0.107 1
1 720 . 16 1 1 A 64 64 ARG N N 64 119.265 118.384 0.881 1
1 721 . 16 1 1 A 65 65 GLU H H 65 8.134 7.664 0.470 1
1 722 . 16 1 1 A 65 65 GLU HA H 65 3.988 4.094 -0.106 1
1 727 . 16 1 1 A 65 65 GLU C C 65 178.890 179.118 -0.228 1
1 728 . 16 1 1 A 65 65 GLU CA C 65 58.891 59.093 -0.202 1
1 729 . 16 1 1 A 65 65 GLU CB C 65 29.228 29.719 -0.491 1
1 731 . 16 1 1 A 65 65 GLU N N 65 119.336 119.226 0.110 1
1 732 . 16 1 1 A 66 66 GLU H H 66 8.212 8.263 -0.051 1
1 733 . 16 1 1 A 66 66 GLU HA H 66 3.804 3.733 0.071 1
1 738 . 16 1 1 A 66 66 GLU C C 66 178.273 179.274 -1.001 1
1 739 . 16 1 1 A 66 66 GLU CA C 66 58.714 59.220 -0.506 1
1 740 . 16 1 1 A 66 66 GLU CB C 66 29.493 28.802 0.691 1
1 742 . 16 1 1 A 66 66 GLU N N 66 121.135 120.095 1.040 1
1 743 . 16 1 1 A 67 67 LYS H H 67 7.663 7.795 -0.132 1
1 744 . 16 1 1 A 67 67 LYS HA H 67 4.044 3.969 0.075 1
1 752 . 16 1 1 A 67 67 LYS C C 67 178.787 179.117 -0.330 1
1 753 . 16 1 1 A 67 67 LYS CA C 67 58.801 58.973 -0.172 1
1 754 . 16 1 1 A 67 67 LYS CB C 67 32.239 32.522 -0.283 1
1 758 . 16 1 1 A 67 67 LYS N N 67 119.200 120.000 -0.800 1
1 759 . 16 1 1 A 68 68 LEU H H 68 7.631 7.718 -0.087 1
1 760 . 16 1 1 A 68 68 LEU HA H 68 4.155 3.858 0.297 1
1 770 . 16 1 1 A 68 68 LEU C C 68 179.055 179.025 0.030 1
1 771 . 16 1 1 A 68 68 LEU CA C 68 56.903 57.876 -0.973 1
1 772 . 16 1 1 A 68 68 LEU CB C 68 41.850 41.417 0.433 1
1 776 . 16 1 1 A 68 68 LEU N N 68 118.976 120.179 -1.203 1
1 777 . 16 1 1 A 69 69 ARG H H 69 7.900 8.239 -0.339 1
1 778 . 16 1 1 A 69 69 ARG HA H 69 4.089 3.777 0.312 1
1 785 . 16 1 1 A 69 69 ARG C C 69 177.985 178.682 -0.697 1
1 786 . 16 1 1 A 69 69 ARG CA C 69 58.551 59.740 -1.189 1
1 787 . 16 1 1 A 69 69 ARG CB C 69 30.430 29.935 0.495 1
1 790 . 16 1 1 A 69 69 ARG N N 69 119.387 119.578 -0.191 1
1 791 . 16 1 1 A 70 70 ASN H H 70 8.088 8.488 -0.400 1
1 792 . 16 1 1 A 70 70 ASN HA H 70 4.633 4.463 0.170 1
1 797 . 16 1 1 A 70 70 ASN C C 70 176.194 177.627 -1.433 1
1 798 . 16 1 1 A 70 70 ASN CA C 70 54.463 56.538 -2.075 1
1 799 . 16 1 1 A 70 70 ASN CB C 70 38.805 39.741 -0.936 1
1 800 . 16 1 1 A 70 70 ASN N N 70 117.289 118.169 -0.880 1
1 802 . 16 1 1 A 71 71 GLN H H 71 8.017 7.891 0.126 1
1 803 . 16 1 1 A 71 71 GLN HA H 71 4.263 4.128 0.135 1
1 810 . 16 1 1 A 71 71 GLN C C 71 176.750 177.085 -0.335 1
1 811 . 16 1 1 A 71 71 GLN CA C 71 57.031 58.229 -1.198 1
1 812 . 16 1 1 A 71 71 GLN CB C 71 29.122 28.687 0.435 1
1 814 . 16 1 1 A 71 71 GLN N N 71 119.838 118.516 1.322 1
1 816 . 16 1 1 A 72 72 ARG H H 72 8.125 7.773 0.352 1
1 817 . 16 1 1 A 72 72 ARG HA H 72 4.312 4.471 -0.159 1
1 823 . 16 1 1 A 72 72 ARG C C 72 176.729 174.848 1.881 1
1 824 . 16 1 1 A 72 72 ARG CA C 72 56.840 55.035 1.805 1
1 825 . 16 1 1 A 72 72 ARG CB C 72 30.500 29.826 0.674 1
1 828 . 16 1 1 A 72 72 ARG N N 72 120.534 117.004 3.530 1
1 829 . 16 1 1 A 73 73 ARG H H 73 8.148 7.574 0.574 1
1 830 . 16 1 1 A 73 73 ARG HA H 73 4.412 4.688 -0.276 1
1 836 . 16 1 1 A 73 73 ARG C C 73 176.552 175.237 1.315 1
1 837 . 16 1 1 A 73 73 ARG CA C 73 56.445 54.746 1.699 1
1 838 . 16 1 1 A 73 73 ARG CB C 73 30.676 33.620 -2.944 1
1 841 . 16 1 1 A 73 73 ARG N N 73 121.356 120.855 0.501 1
1 842 . 16 1 1 A 74 74 GLN HA H 74 4.334 3.800 0.534 1
1 846 . 16 1 1 A 74 74 GLN CA C 74 56.127 56.799 -0.672 1
1 847 . 16 1 1 A 74 74 GLN CB C 74 29.362 27.049 2.313 1
1 849 . 16 1 1 A 76 76 GLY HA2 H 76 4.168 4.163 0.005 1
1 850 . 16 1 1 A 76 76 GLY HA3 H 76 4.168 4.164 0.004 1
1 851 . 16 1 1 A 76 76 GLY CA C 76 44.736 44.314 0.422 1
1 852 . 16 1 1 A 77 77 PRO HA H 77 4.502 4.577 -0.075 1
1 859 . 16 1 1 A 77 77 PRO CA C 77 63.330 62.751 0.579 1
1 860 . 16 1 1 A 77 77 PRO CB C 77 32.217 31.932 0.285 1
1 863 . 16 1 1 A 79 79 SER HA H 79 4.524 4.174 0.350 1
1 865 . 16 1 1 A 79 79 SER C C 79 173.931 173.928 0.003 1
1 866 . 16 1 1 A 79 79 SER CA C 79 58.409 59.414 -1.005 1
1 867 . 16 1 1 A 79 79 SER CB C 79 64.147 63.270 0.877 1
1 1 . 17 1 1 A 8 8 GLN H H 8 8.925 8.599 0.326 1
1 2 . 17 1 1 A 8 8 GLN HA H 8 4.398 5.071 -0.673 1
1 8 . 17 1 1 A 8 8 GLN CA C 8 56.051 54.250 1.801 1
1 9 . 17 1 1 A 8 8 GLN CB C 8 29.491 32.922 -3.431 1
1 12 . 17 1 1 A 12 12 THR HA H 12 4.352 4.389 -0.037 1
1 17 . 17 1 1 A 12 12 THR CA C 12 61.819 62.474 -0.655 1
1 18 . 17 1 1 A 12 12 THR CB C 12 69.783 69.385 0.398 1
1 20 . 17 1 1 A 13 13 SER HA H 13 4.465 3.971 0.494 1
1 23 . 17 1 1 A 13 13 SER C C 13 173.828 175.301 -1.473 1
1 24 . 17 1 1 A 13 13 SER CA C 13 57.973 62.554 -4.581 1
1 25 . 17 1 1 A 13 13 SER CB C 13 64.246 62.516 1.730 1
1 26 . 17 1 1 A 14 14 PHE H H 14 8.322 8.048 0.274 1
1 27 . 17 1 1 A 14 14 PHE HA H 14 5.035 4.640 0.395 1
1 35 . 17 1 1 A 14 14 PHE C C 14 176.750 175.349 1.401 1
1 36 . 17 1 1 A 14 14 PHE CA C 14 56.624 58.090 -1.466 1
1 37 . 17 1 1 A 14 14 PHE CB C 14 41.174 39.936 1.238 1
1 43 . 17 1 1 A 14 14 PHE N N 14 121.036 118.223 2.813 1
1 44 . 17 1 1 A 15 15 THR H H 15 8.944 8.308 0.636 1
1 45 . 17 1 1 A 15 15 THR HA H 15 4.529 5.056 -0.527 1
1 50 . 17 1 1 A 15 15 THR C C 15 175.433 175.312 0.121 1
1 51 . 17 1 1 A 15 15 THR CA C 15 60.644 59.357 1.287 1
1 52 . 17 1 1 A 15 15 THR CB C 15 70.784 71.873 -1.089 1
1 54 . 17 1 1 A 15 15 THR N N 15 113.618 111.757 1.861 1
1 55 . 17 1 1 A 16 16 GLN H H 16 9.086 8.923 0.163 1
1 56 . 17 1 1 A 16 16 GLN HA H 16 4.016 4.040 -0.024 1
1 63 . 17 1 1 A 16 16 GLN C C 16 178.149 177.495 0.654 1
1 64 . 17 1 1 A 16 16 GLN CA C 16 59.283 59.286 -0.003 1
1 65 . 17 1 1 A 16 16 GLN CB C 16 27.943 28.595 -0.652 1
1 67 . 17 1 1 A 16 16 GLN N N 16 121.415 121.046 0.369 1
1 69 . 17 1 1 A 17 17 GLU H H 17 8.837 8.572 0.265 1
1 70 . 17 1 1 A 17 17 GLU HA H 17 4.048 4.080 -0.032 1
1 75 . 17 1 1 A 17 17 GLU C C 17 180.248 178.703 1.545 1
1 76 . 17 1 1 A 17 17 GLU CA C 17 60.156 59.458 0.698 1
1 77 . 17 1 1 A 17 17 GLU CB C 17 29.125 29.192 -0.067 1
1 79 . 17 1 1 A 17 17 GLU N N 17 117.930 119.121 -1.191 1
1 80 . 17 1 1 A 18 18 GLN H H 18 7.738 8.287 -0.549 1
1 81 . 17 1 1 A 18 18 GLN HA H 18 3.809 4.247 -0.438 1
1 88 . 17 1 1 A 18 18 GLN C C 18 177.079 178.079 -1.000 1
1 89 . 17 1 1 A 18 18 GLN CA C 18 59.358 57.865 1.493 1
1 90 . 17 1 1 A 18 18 GLN CB C 18 27.338 29.239 -1.901 1
1 92 . 17 1 1 A 18 18 GLN N N 18 119.421 118.505 0.916 1
1 94 . 17 1 1 A 19 19 ILE H H 19 8.265 8.350 -0.085 1
1 95 . 17 1 1 A 19 19 ILE HA H 19 3.240 3.515 -0.275 1
1 105 . 17 1 1 A 19 19 ILE C C 19 177.409 177.846 -0.437 1
1 106 . 17 1 1 A 19 19 ILE CA C 19 64.693 64.970 -0.277 1
1 107 . 17 1 1 A 19 19 ILE CB C 19 37.544 37.468 0.076 1
1 111 . 17 1 1 A 19 19 ILE N N 19 118.326 120.648 -2.322 1
1 112 . 17 1 1 A 20 20 GLU H H 20 8.304 8.787 -0.483 1
1 113 . 17 1 1 A 20 20 GLU HA H 20 3.916 4.019 -0.103 1
1 118 . 17 1 1 A 20 20 GLU C C 20 179.281 178.326 0.955 1
1 119 . 17 1 1 A 20 20 GLU CA C 20 59.674 59.140 0.534 1
1 120 . 17 1 1 A 20 20 GLU CB C 20 29.369 29.250 0.119 1
1 122 . 17 1 1 A 20 20 GLU N N 20 117.948 120.092 -2.144 1
1 123 . 17 1 1 A 21 21 ALA H H 21 7.335 7.536 -0.201 1
1 124 . 17 1 1 A 21 21 ALA HA H 21 4.095 4.081 0.014 1
1 128 . 17 1 1 A 21 21 ALA C C 21 180.825 179.964 0.861 1
1 129 . 17 1 1 A 21 21 ALA CA C 21 54.885 54.130 0.755 1
1 130 . 17 1 1 A 21 21 ALA CB C 21 19.190 18.323 0.867 1
1 131 . 17 1 1 A 21 21 ALA N N 21 120.460 122.168 -1.708 1
1 132 . 17 1 1 A 22 22 LEU H H 22 8.100 8.359 -0.259 1
1 133 . 17 1 1 A 22 22 LEU HA H 22 3.490 3.761 -0.271 1
1 143 . 17 1 1 A 22 22 LEU C C 22 177.861 178.772 -0.911 1
1 144 . 17 1 1 A 22 22 LEU CA C 22 58.530 57.059 1.471 1
1 145 . 17 1 1 A 22 22 LEU CB C 22 37.691 40.402 -2.711 1
1 149 . 17 1 1 A 22 22 LEU N N 22 122.412 119.764 2.648 1
1 150 . 17 1 1 A 23 23 GLU H H 23 8.534 8.161 0.373 1
1 151 . 17 1 1 A 23 23 GLU HA H 23 4.360 4.194 0.166 1
1 156 . 17 1 1 A 23 23 GLU C C 23 180.413 179.423 0.990 1
1 157 . 17 1 1 A 23 23 GLU CA C 23 59.072 59.531 -0.459 1
1 158 . 17 1 1 A 23 23 GLU CB C 23 28.905 29.953 -1.048 1
1 160 . 17 1 1 A 23 23 GLU N N 23 118.309 119.960 -1.651 1
1 161 . 17 1 1 A 24 24 LYS H H 24 7.898 7.779 0.119 1
1 162 . 17 1 1 A 24 24 LYS HA H 24 4.170 4.028 0.142 1
1 170 . 17 1 1 A 24 24 LYS C C 24 179.672 178.805 0.867 1
1 171 . 17 1 1 A 24 24 LYS CA C 24 59.144 59.428 -0.284 1
1 172 . 17 1 1 A 24 24 LYS CB C 24 32.082 32.093 -0.011 1
1 176 . 17 1 1 A 24 24 LYS N N 24 119.449 121.275 -1.826 1
1 177 . 17 1 1 A 25 25 GLU H H 25 7.887 7.594 0.293 1
1 178 . 17 1 1 A 25 25 GLU HA H 25 4.596 4.148 0.448 1
1 183 . 17 1 1 A 25 25 GLU C C 25 177.923 179.245 -1.322 1
1 184 . 17 1 1 A 25 25 GLU CA C 25 58.799 59.137 -0.338 1
1 185 . 17 1 1 A 25 25 GLU CB C 25 28.787 29.273 -0.486 1
1 187 . 17 1 1 A 25 25 GLU N N 25 121.941 119.210 2.731 1
1 188 . 17 1 1 A 26 26 PHE H H 26 8.843 8.515 0.328 1
1 189 . 17 1 1 A 26 26 PHE HA H 26 4.865 4.629 0.236 1
1 197 . 17 1 1 A 26 26 PHE C C 26 176.380 177.939 -1.559 1
1 198 . 17 1 1 A 26 26 PHE CA C 26 60.798 61.245 -0.447 1
1 199 . 17 1 1 A 26 26 PHE CB C 26 38.969 38.934 0.035 1
1 205 . 17 1 1 A 26 26 PHE N N 26 121.919 120.888 1.031 1
1 206 . 17 1 1 A 27 27 GLU H H 27 7.839 8.752 -0.913 1
1 207 . 17 1 1 A 27 27 GLU HA H 27 3.952 4.069 -0.117 1
1 212 . 17 1 1 A 27 27 GLU C C 27 178.335 178.608 -0.273 1
1 213 . 17 1 1 A 27 27 GLU CA C 27 58.650 60.505 -1.855 1
1 214 . 17 1 1 A 27 27 GLU CB C 27 29.772 29.220 0.552 1
1 216 . 17 1 1 A 27 27 GLU N N 27 115.144 117.713 -2.569 1
1 217 . 17 1 1 A 28 28 ARG H H 28 7.573 7.824 -0.251 1
1 218 . 17 1 1 A 28 28 ARG HA H 28 4.109 4.214 -0.105 1
1 225 . 17 1 1 A 28 28 ARG C C 28 177.059 175.755 1.304 1
1 226 . 17 1 1 A 28 28 ARG CA C 28 58.740 57.862 0.878 1
1 227 . 17 1 1 A 28 28 ARG CB C 28 30.995 31.769 -0.774 1
1 230 . 17 1 1 A 28 28 ARG N N 28 120.497 119.144 1.353 1
1 231 . 17 1 1 A 29 29 THR H H 29 8.786 7.698 1.088 1
1 232 . 17 1 1 A 29 29 THR HA H 29 4.291 4.539 -0.248 1
1 237 . 17 1 1 A 29 29 THR C C 29 170.391 173.447 -3.056 1
1 238 . 17 1 1 A 29 29 THR CA C 29 59.674 60.245 -0.571 1
1 239 . 17 1 1 A 29 29 THR CB C 29 68.880 71.647 -2.767 1
1 241 . 17 1 1 A 29 29 THR N N 29 114.915 111.710 3.205 1
1 242 . 17 1 1 A 30 30 HIS H H 30 8.292 8.403 -0.111 1
1 243 . 17 1 1 A 30 30 HIS HA H 30 4.420 3.409 1.011 1
1 248 . 17 1 1 A 30 30 HIS C C 30 174.569 174.332 0.237 1
1 249 . 17 1 1 A 30 30 HIS CA C 30 54.798 56.842 -2.044 1
1 250 . 17 1 1 A 30 30 HIS CB C 30 30.629 29.041 1.588 1
1 253 . 17 1 1 A 30 30 HIS N N 30 122.126 125.031 -2.905 1
1 254 . 17 1 1 A 31 31 TYR H H 31 8.179 7.290 0.889 1
1 255 . 17 1 1 A 31 31 TYR HA H 31 4.731 4.858 -0.127 1
1 262 . 17 1 1 A 31 31 TYR C C 31 172.551 173.011 -0.460 1
1 263 . 17 1 1 A 31 31 TYR CA C 31 55.259 54.968 0.291 1
1 264 . 17 1 1 A 31 31 TYR CB C 31 39.362 38.340 1.022 1
1 269 . 17 1 1 A 31 31 TYR N N 31 115.063 117.612 -2.549 1
1 270 . 17 1 1 A 32 32 PRO HA H 32 4.256 4.620 -0.364 1
1 277 . 17 1 1 A 32 32 PRO C C 32 177.388 176.879 0.509 1
1 278 . 17 1 1 A 32 32 PRO CA C 32 62.903 62.342 0.561 1
1 279 . 17 1 1 A 32 32 PRO CB C 32 30.896 30.918 -0.022 1
1 282 . 17 1 1 A 33 33 ASP H H 33 8.457 8.646 -0.189 1
1 283 . 17 1 1 A 33 33 ASP HA H 33 4.495 4.631 -0.136 1
1 286 . 17 1 1 A 33 33 ASP C C 33 175.824 177.532 -1.708 1
1 287 . 17 1 1 A 33 33 ASP CA C 33 52.776 54.514 -1.738 1
1 288 . 17 1 1 A 33 33 ASP CB C 33 41.174 41.962 -0.788 1
1 289 . 17 1 1 A 33 33 ASP N N 33 124.636 122.567 2.069 1
1 290 . 17 1 1 A 34 34 VAL H H 34 8.331 8.504 -0.173 1
1 291 . 17 1 1 A 34 34 VAL HA H 34 3.488 3.747 -0.259 1
1 299 . 17 1 1 A 34 34 VAL C C 34 176.133 177.416 -1.283 1
1 300 . 17 1 1 A 34 34 VAL CA C 34 66.176 65.366 0.810 1
1 301 . 17 1 1 A 34 34 VAL CB C 34 31.401 31.538 -0.137 1
1 304 . 17 1 1 A 34 34 VAL N N 34 117.908 123.823 -5.915 1
1 305 . 17 1 1 A 35 35 PHE H H 35 7.127 7.899 -0.772 1
1 306 . 17 1 1 A 35 35 PHE HA H 35 4.339 4.178 0.161 1
1 314 . 17 1 1 A 35 35 PHE C C 35 178.808 177.283 1.525 1
1 315 . 17 1 1 A 35 35 PHE CA C 35 60.335 61.459 -1.124 1
1 316 . 17 1 1 A 35 35 PHE CB C 35 37.927 38.006 -0.079 1
1 322 . 17 1 1 A 35 35 PHE N N 35 120.263 120.571 -0.308 1
1 323 . 17 1 1 A 36 36 ALA H H 36 8.428 8.050 0.378 1
1 324 . 17 1 1 A 36 36 ALA HA H 36 4.094 4.370 -0.276 1
1 328 . 17 1 1 A 36 36 ALA C C 36 181.812 179.332 2.480 1
1 329 . 17 1 1 A 36 36 ALA CA C 36 55.062 54.460 0.602 1
1 330 . 17 1 1 A 36 36 ALA CB C 36 18.484 19.245 -0.761 1
1 331 . 17 1 1 A 36 36 ALA N N 36 123.569 121.799 1.770 1
1 332 . 17 1 1 A 37 37 ARG H H 37 8.695 8.149 0.546 1
1 333 . 17 1 1 A 37 37 ARG HA H 37 3.920 4.048 -0.128 1
1 341 . 17 1 1 A 37 37 ARG C C 37 178.232 178.831 -0.599 1
1 342 . 17 1 1 A 37 37 ARG CA C 37 61.034 59.751 1.283 1
1 343 . 17 1 1 A 37 37 ARG CB C 37 31.263 29.800 1.463 1
1 346 . 17 1 1 A 37 37 ARG N N 37 117.907 117.594 0.313 1
1 348 . 17 1 1 A 38 38 GLU H H 38 8.531 8.370 0.161 1
1 349 . 17 1 1 A 38 38 GLU HA H 38 4.051 4.067 -0.016 1
1 354 . 17 1 1 A 38 38 GLU C C 38 179.940 179.398 0.542 1
1 355 . 17 1 1 A 38 38 GLU CA C 38 59.765 59.294 0.471 1
1 356 . 17 1 1 A 38 38 GLU CB C 38 29.456 29.073 0.383 1
1 358 . 17 1 1 A 38 38 GLU N N 38 119.688 119.646 0.042 1
1 359 . 17 1 1 A 39 39 ARG H H 39 8.096 8.065 0.031 1
1 360 . 17 1 1 A 39 39 ARG HA H 39 4.130 4.081 0.049 1
1 366 . 17 1 1 A 39 39 ARG C C 39 179.425 178.934 0.491 1
1 367 . 17 1 1 A 39 39 ARG CA C 39 59.368 59.028 0.340 1
1 368 . 17 1 1 A 39 39 ARG CB C 39 30.300 29.814 0.486 1
1 371 . 17 1 1 A 39 39 ARG N N 39 120.527 120.362 0.165 1
1 372 . 17 1 1 A 40 40 LEU H H 40 7.933 8.153 -0.220 1
1 373 . 17 1 1 A 40 40 LEU HA H 40 4.121 4.108 0.013 1
1 383 . 17 1 1 A 40 40 LEU C C 40 177.861 178.228 -0.367 1
1 384 . 17 1 1 A 40 40 LEU CA C 40 57.807 57.450 0.357 1
1 385 . 17 1 1 A 40 40 LEU CB C 40 42.446 41.435 1.011 1
1 389 . 17 1 1 A 40 40 LEU N N 40 121.371 121.483 -0.112 1
1 390 . 17 1 1 A 41 41 ALA H H 41 8.537 8.411 0.126 1
1 391 . 17 1 1 A 41 41 ALA HA H 41 4.102 4.130 -0.028 1
1 395 . 17 1 1 A 41 41 ALA C C 41 180.372 179.226 1.146 1
1 396 . 17 1 1 A 41 41 ALA CA C 41 56.060 55.419 0.641 1
1 397 . 17 1 1 A 41 41 ALA CB C 41 18.892 18.307 0.585 1
1 398 . 17 1 1 A 41 41 ALA N N 41 121.892 120.420 1.472 1
1 399 . 17 1 1 A 42 42 ALA H H 42 7.400 7.316 0.084 1
1 400 . 17 1 1 A 42 42 ALA HA H 42 4.242 4.217 0.025 1
1 404 . 17 1 1 A 42 42 ALA C C 42 179.631 180.137 -0.506 1
1 405 . 17 1 1 A 42 42 ALA CA C 42 53.951 53.230 0.721 1
1 406 . 17 1 1 A 42 42 ALA CB C 42 18.484 19.007 -0.523 1
1 407 . 17 1 1 A 42 42 ALA N N 42 116.807 119.525 -2.718 1
1 408 . 17 1 1 A 43 43 LYS H H 43 7.781 8.097 -0.316 1
1 409 . 17 1 1 A 43 43 LYS HA H 43 4.229 4.098 0.131 1
1 417 . 17 1 1 A 43 43 LYS C C 43 178.746 178.140 0.606 1
1 418 . 17 1 1 A 43 43 LYS CA C 43 58.710 59.096 -0.386 1
1 419 . 17 1 1 A 43 43 LYS CB C 43 33.610 32.693 0.917 1
1 423 . 17 1 1 A 43 43 LYS N N 43 118.433 118.303 0.130 1
1 424 . 17 1 1 A 44 44 ILE H H 44 8.094 7.640 0.454 1
1 425 . 17 1 1 A 44 44 ILE HA H 44 4.655 4.372 0.283 1
1 435 . 17 1 1 A 44 44 ILE C C 44 175.042 175.468 -0.426 1
1 436 . 17 1 1 A 44 44 ILE CA C 44 60.606 60.030 0.576 1
1 437 . 17 1 1 A 44 44 ILE CB C 44 38.341 37.846 0.495 1
1 441 . 17 1 1 A 44 44 ILE N N 44 108.112 111.247 -3.135 1
1 442 . 17 1 1 A 45 45 ASP H H 45 7.811 8.172 -0.361 1
1 443 . 17 1 1 A 45 45 ASP HA H 45 4.333 4.253 0.080 1
1 446 . 17 1 1 A 45 45 ASP C C 45 173.848 174.517 -0.669 1
1 447 . 17 1 1 A 45 45 ASP CA C 45 55.065 55.010 0.055 1
1 448 . 17 1 1 A 45 45 ASP CB C 45 39.031 39.602 -0.571 1
1 449 . 17 1 1 A 45 45 ASP N N 45 121.798 121.921 -0.123 1
1 450 . 17 1 1 A 46 46 LEU H H 46 7.550 7.947 -0.397 1
1 451 . 17 1 1 A 46 46 LEU HA H 46 4.990 4.830 0.160 1
1 461 . 17 1 1 A 46 46 LEU C C 46 173.536 174.307 -0.771 1
1 462 . 17 1 1 A 46 46 LEU CA C 46 51.364 51.315 0.049 1
1 463 . 17 1 1 A 46 46 LEU CB C 46 47.443 44.806 2.637 1
1 467 . 17 1 1 A 46 46 LEU N N 46 118.454 118.872 -0.418 1
1 468 . 17 1 1 A 47 47 PRO HA H 47 4.548 4.726 -0.178 1
1 475 . 17 1 1 A 47 47 PRO C C 47 178.417 177.866 0.551 1
1 476 . 17 1 1 A 47 47 PRO CA C 47 62.268 62.840 -0.572 1
1 477 . 17 1 1 A 47 47 PRO CB C 47 32.600 32.042 0.558 1
1 480 . 17 1 1 A 48 48 GLU H H 48 9.253 9.034 0.219 1
1 481 . 17 1 1 A 48 48 GLU HA H 48 3.799 4.034 -0.235 1
1 486 . 17 1 1 A 48 48 GLU C C 48 178.273 178.355 -0.082 1
1 487 . 17 1 1 A 48 48 GLU CA C 48 61.083 59.415 1.668 1
1 488 . 17 1 1 A 48 48 GLU CB C 48 28.815 29.456 -0.641 1
1 490 . 17 1 1 A 48 48 GLU N N 48 126.081 124.616 1.465 1
1 491 . 17 1 1 A 49 49 ALA H H 49 8.923 8.082 0.841 1
1 492 . 17 1 1 A 49 49 ALA HA H 49 4.128 4.162 -0.034 1
1 496 . 17 1 1 A 49 49 ALA C C 49 181.277 179.567 1.710 1
1 497 . 17 1 1 A 49 49 ALA CA C 49 55.569 55.041 0.528 1
1 498 . 17 1 1 A 49 49 ALA CB C 49 18.681 18.313 0.368 1
1 499 . 17 1 1 A 49 49 ALA N N 49 119.313 122.452 -3.139 1
1 500 . 17 1 1 A 50 50 ARG H H 50 7.417 8.172 -0.755 1
1 501 . 17 1 1 A 50 50 ARG HA H 50 4.348 4.188 0.160 1
1 508 . 17 1 1 A 50 50 ARG C C 50 179.425 178.567 0.858 1
1 509 . 17 1 1 A 50 50 ARG CA C 50 57.978 59.666 -1.688 1
1 510 . 17 1 1 A 50 50 ARG CB C 50 29.723 30.205 -0.482 1
1 513 . 17 1 1 A 50 50 ARG N N 50 114.567 117.991 -3.424 1
1 514 . 17 1 1 A 51 51 ILE H H 51 7.785 7.956 -0.171 1
1 515 . 17 1 1 A 51 51 ILE HA H 51 3.816 3.863 -0.047 1
1 525 . 17 1 1 A 51 51 ILE C C 51 178.088 177.969 0.119 1
1 526 . 17 1 1 A 51 51 ILE CA C 51 65.848 65.216 0.632 1
1 527 . 17 1 1 A 51 51 ILE CB C 51 37.785 37.850 -0.065 1
1 531 . 17 1 1 A 51 51 ILE N N 51 121.669 121.014 0.655 1
1 532 . 17 1 1 A 52 52 GLN H H 52 8.478 8.245 0.233 1
1 533 . 17 1 1 A 52 52 GLN HA H 52 4.423 4.077 0.346 1
1 539 . 17 1 1 A 52 52 GLN C C 52 179.364 178.795 0.569 1
1 540 . 17 1 1 A 52 52 GLN CA C 52 60.232 58.889 1.343 1
1 541 . 17 1 1 A 52 52 GLN CB C 52 28.945 28.366 0.579 1
1 543 . 17 1 1 A 52 52 GLN N N 52 118.943 117.974 0.969 1
1 545 . 17 1 1 A 53 53 VAL H H 53 7.582 8.015 -0.433 1
1 546 . 17 1 1 A 53 53 VAL HA H 53 3.842 3.725 0.117 1
1 554 . 17 1 1 A 53 53 VAL C C 53 177.800 178.195 -0.395 1
1 555 . 17 1 1 A 53 53 VAL CA C 53 66.633 66.520 0.113 1
1 556 . 17 1 1 A 53 53 VAL CB C 53 32.241 31.793 0.448 1
1 559 . 17 1 1 A 53 53 VAL N N 53 120.375 120.251 0.124 1
1 560 . 17 1 1 A 54 54 TRP H H 54 8.390 8.500 -0.110 1
1 561 . 17 1 1 A 54 54 TRP HA H 54 4.050 4.174 -0.124 1
1 570 . 17 1 1 A 54 54 TRP C C 54 180.084 178.327 1.757 1
1 571 . 17 1 1 A 54 54 TRP CA C 54 63.229 61.021 2.208 1
1 572 . 17 1 1 A 54 54 TRP CB C 54 28.726 29.739 -1.013 1
1 578 . 17 1 1 A 54 54 TRP N N 54 121.414 121.393 0.021 1
1 580 . 17 1 1 A 55 55 PHE H H 55 9.127 8.193 0.934 1
1 581 . 17 1 1 A 55 55 PHE HA H 55 3.771 4.463 -0.692 1
1 589 . 17 1 1 A 55 55 PHE C C 55 178.170 178.477 -0.307 1
1 590 . 17 1 1 A 55 55 PHE CA C 55 63.826 61.949 1.877 1
1 591 . 17 1 1 A 55 55 PHE CB C 55 39.195 38.909 0.286 1
1 597 . 17 1 1 A 55 55 PHE N N 55 118.358 117.383 0.975 1
1 598 . 17 1 1 A 56 56 SER H H 56 8.267 8.498 -0.231 1
1 599 . 17 1 1 A 56 56 SER HA H 56 4.148 4.098 0.050 1
1 602 . 17 1 1 A 56 56 SER C C 56 178.376 177.333 1.043 1
1 603 . 17 1 1 A 56 56 SER CA C 56 62.578 61.871 0.707 1
1 604 . 17 1 1 A 56 56 SER CB C 56 62.412 63.116 -0.704 1
1 605 . 17 1 1 A 56 56 SER N N 56 115.049 115.509 -0.460 1
1 606 . 17 1 1 A 57 57 ASN H H 57 8.231 8.292 -0.061 1
1 607 . 17 1 1 A 57 57 ASN HA H 57 4.411 4.509 -0.098 1
1 612 . 17 1 1 A 57 57 ASN C C 57 177.573 178.252 -0.679 1
1 613 . 17 1 1 A 57 57 ASN CA C 57 55.698 56.025 -0.327 1
1 614 . 17 1 1 A 57 57 ASN CB C 57 37.827 37.664 0.163 1
1 615 . 17 1 1 A 57 57 ASN N N 57 120.846 120.004 0.842 1
1 617 . 17 1 1 A 58 58 ARG H H 58 8.531 7.399 1.132 1
1 618 . 17 1 1 A 58 58 ARG HA H 58 3.533 3.676 -0.143 1
1 626 . 17 1 1 A 58 58 ARG C C 58 179.919 179.220 0.699 1
1 627 . 17 1 1 A 58 58 ARG CA C 58 56.451 59.462 -3.011 1
1 628 . 17 1 1 A 58 58 ARG CB C 58 27.981 29.647 -1.666 1
1 631 . 17 1 1 A 58 58 ARG N N 58 124.704 120.724 3.980 1
1 633 . 17 1 1 A 59 59 ARG H H 59 8.496 8.157 0.339 1
1 634 . 17 1 1 A 59 59 ARG HA H 59 4.072 4.226 -0.154 1
1 641 . 17 1 1 A 59 59 ARG C C 59 178.520 179.200 -0.680 1
1 642 . 17 1 1 A 59 59 ARG CA C 59 60.970 59.641 1.329 1
1 643 . 17 1 1 A 59 59 ARG CB C 59 31.601 30.044 1.557 1
1 646 . 17 1 1 A 59 59 ARG N N 59 120.108 119.693 0.415 1
1 647 . 17 1 1 A 60 60 ALA H H 60 7.487 7.668 -0.181 1
1 648 . 17 1 1 A 60 60 ALA HA H 60 4.197 4.150 0.047 1
1 652 . 17 1 1 A 60 60 ALA C C 60 180.475 180.064 0.411 1
1 653 . 17 1 1 A 60 60 ALA CA C 60 55.547 54.790 0.757 1
1 654 . 17 1 1 A 60 60 ALA CB C 60 17.635 18.235 -0.600 1
1 655 . 17 1 1 A 60 60 ALA N N 60 121.949 121.567 0.382 1
1 656 . 17 1 1 A 61 61 LYS H H 61 7.733 8.125 -0.392 1
1 657 . 17 1 1 A 61 61 LYS HA H 61 3.927 4.036 -0.109 1
1 666 . 17 1 1 A 61 61 LYS C C 61 177.656 178.592 -0.936 1
1 667 . 17 1 1 A 61 61 LYS CA C 61 59.590 58.629 0.961 1
1 668 . 17 1 1 A 61 61 LYS CB C 61 32.903 32.106 0.797 1
1 672 . 17 1 1 A 61 61 LYS N N 61 120.311 118.073 2.238 1
1 673 . 17 1 1 A 62 62 TRP H H 62 8.235 8.097 0.138 1
1 674 . 17 1 1 A 62 62 TRP HA H 62 4.475 4.237 0.238 1
1 683 . 17 1 1 A 62 62 TRP C C 62 178.088 178.502 -0.414 1
1 684 . 17 1 1 A 62 62 TRP CA C 62 61.043 60.357 0.686 1
1 685 . 17 1 1 A 62 62 TRP CB C 62 29.113 29.747 -0.634 1
1 691 . 17 1 1 A 62 62 TRP N N 62 120.161 121.820 -1.659 1
1 693 . 17 1 1 A 63 63 ARG H H 63 8.579 8.679 -0.100 1
1 694 . 17 1 1 A 63 63 ARG HA H 63 3.762 3.995 -0.233 1
1 701 . 17 1 1 A 63 63 ARG C C 63 179.220 178.391 0.829 1
1 702 . 17 1 1 A 63 63 ARG CA C 63 59.644 58.700 0.944 1
1 703 . 17 1 1 A 63 63 ARG CB C 63 30.498 30.070 0.428 1
1 706 . 17 1 1 A 63 63 ARG N N 63 117.951 118.921 -0.970 1
1 707 . 17 1 1 A 64 64 ARG H H 64 7.754 8.083 -0.329 1
1 708 . 17 1 1 A 64 64 ARG HA H 64 4.075 4.066 0.009 1
1 715 . 17 1 1 A 64 64 ARG C C 64 178.643 178.476 0.167 1
1 716 . 17 1 1 A 64 64 ARG CA C 64 59.313 58.786 0.527 1
1 717 . 17 1 1 A 64 64 ARG CB C 64 30.254 30.145 0.109 1
1 720 . 17 1 1 A 64 64 ARG N N 64 119.265 118.410 0.855 1
1 721 . 17 1 1 A 65 65 GLU H H 65 8.134 8.112 0.022 1
1 722 . 17 1 1 A 65 65 GLU HA H 65 3.988 4.085 -0.097 1
1 727 . 17 1 1 A 65 65 GLU C C 65 178.890 178.795 0.095 1
1 728 . 17 1 1 A 65 65 GLU CA C 65 58.891 59.228 -0.337 1
1 729 . 17 1 1 A 65 65 GLU CB C 65 29.228 29.633 -0.405 1
1 731 . 17 1 1 A 65 65 GLU N N 65 119.336 119.313 0.023 1
1 732 . 17 1 1 A 66 66 GLU H H 66 8.212 7.827 0.385 1
1 733 . 17 1 1 A 66 66 GLU HA H 66 3.804 3.758 0.046 1
1 738 . 17 1 1 A 66 66 GLU C C 66 178.273 178.448 -0.175 1
1 739 . 17 1 1 A 66 66 GLU CA C 66 58.714 58.978 -0.264 1
1 740 . 17 1 1 A 66 66 GLU CB C 66 29.493 28.748 0.745 1
1 742 . 17 1 1 A 66 66 GLU N N 66 121.135 120.143 0.992 1
1 743 . 17 1 1 A 67 67 LYS H H 67 7.663 7.854 -0.191 1
1 744 . 17 1 1 A 67 67 LYS HA H 67 4.044 4.017 0.027 1
1 752 . 17 1 1 A 67 67 LYS C C 67 178.787 179.169 -0.382 1
1 753 . 17 1 1 A 67 67 LYS CA C 67 58.801 58.968 -0.167 1
1 754 . 17 1 1 A 67 67 LYS CB C 67 32.239 32.571 -0.332 1
1 758 . 17 1 1 A 67 67 LYS N N 67 119.200 119.253 -0.053 1
1 759 . 17 1 1 A 68 68 LEU H H 68 7.631 8.220 -0.589 1
1 760 . 17 1 1 A 68 68 LEU HA H 68 4.155 4.201 -0.046 1
1 770 . 17 1 1 A 68 68 LEU C C 68 179.055 179.390 -0.335 1
1 771 . 17 1 1 A 68 68 LEU CA C 68 56.903 57.992 -1.089 1
1 772 . 17 1 1 A 68 68 LEU CB C 68 41.850 41.452 0.398 1
1 776 . 17 1 1 A 68 68 LEU N N 68 118.976 119.777 -0.801 1
1 777 . 17 1 1 A 69 69 ARG H H 69 7.900 8.373 -0.473 1
1 778 . 17 1 1 A 69 69 ARG HA H 69 4.089 4.019 0.070 1
1 785 . 17 1 1 A 69 69 ARG C C 69 177.985 178.801 -0.816 1
1 786 . 17 1 1 A 69 69 ARG CA C 69 58.551 59.381 -0.830 1
1 787 . 17 1 1 A 69 69 ARG CB C 69 30.430 30.394 0.036 1
1 790 . 17 1 1 A 69 69 ARG N N 69 119.387 119.371 0.016 1
1 791 . 17 1 1 A 70 70 ASN H H 70 8.088 7.887 0.201 1
1 792 . 17 1 1 A 70 70 ASN HA H 70 4.633 4.460 0.173 1
1 797 . 17 1 1 A 70 70 ASN C C 70 176.194 177.894 -1.700 1
1 798 . 17 1 1 A 70 70 ASN CA C 70 54.463 56.273 -1.810 1
1 799 . 17 1 1 A 70 70 ASN CB C 70 38.805 37.925 0.880 1
1 800 . 17 1 1 A 70 70 ASN N N 70 117.289 118.242 -0.953 1
1 802 . 17 1 1 A 71 71 GLN H H 71 8.017 8.766 -0.749 1
1 803 . 17 1 1 A 71 71 GLN HA H 71 4.263 4.025 0.238 1
1 810 . 17 1 1 A 71 71 GLN C C 71 176.750 178.399 -1.649 1
1 811 . 17 1 1 A 71 71 GLN CA C 71 57.031 58.536 -1.505 1
1 812 . 17 1 1 A 71 71 GLN CB C 71 29.122 27.878 1.244 1
1 814 . 17 1 1 A 71 71 GLN N N 71 119.838 116.945 2.893 1
1 816 . 17 1 1 A 72 72 ARG H H 72 8.125 7.968 0.157 1
1 817 . 17 1 1 A 72 72 ARG HA H 72 4.312 4.000 0.312 1
1 823 . 17 1 1 A 72 72 ARG C C 72 176.729 175.926 0.803 1
1 824 . 17 1 1 A 72 72 ARG CA C 72 56.840 59.065 -2.225 1
1 825 . 17 1 1 A 72 72 ARG CB C 72 30.500 29.703 0.797 1
1 828 . 17 1 1 A 72 72 ARG N N 72 120.534 120.225 0.309 1
1 829 . 17 1 1 A 73 73 ARG H H 73 8.148 7.596 0.552 1
1 830 . 17 1 1 A 73 73 ARG HA H 73 4.412 4.246 0.166 1
1 836 . 17 1 1 A 73 73 ARG C C 73 176.552 176.392 0.160 1
1 837 . 17 1 1 A 73 73 ARG CA C 73 56.445 56.416 0.029 1
1 838 . 17 1 1 A 73 73 ARG CB C 73 30.676 30.553 0.123 1
1 841 . 17 1 1 A 73 73 ARG N N 73 121.356 115.957 5.399 1
1 842 . 17 1 1 A 74 74 GLN HA H 74 4.334 4.825 -0.491 1
1 846 . 17 1 1 A 74 74 GLN CA C 74 56.127 53.957 2.170 1
1 847 . 17 1 1 A 74 74 GLN CB C 74 29.362 31.845 -2.483 1
1 849 . 17 1 1 A 76 76 GLY HA2 H 76 4.168 4.087 0.081 1
1 850 . 17 1 1 A 76 76 GLY HA3 H 76 4.168 4.087 0.081 1
1 851 . 17 1 1 A 76 76 GLY CA C 76 44.736 46.095 -1.359 1
1 852 . 17 1 1 A 77 77 PRO HA H 77 4.502 4.569 -0.067 1
1 859 . 17 1 1 A 77 77 PRO CA C 77 63.330 62.853 0.477 1
1 860 . 17 1 1 A 77 77 PRO CB C 77 32.217 31.682 0.535 1
1 863 . 17 1 1 A 79 79 SER HA H 79 4.524 4.198 0.326 1
1 865 . 17 1 1 A 79 79 SER C C 79 173.931 174.889 -0.958 1
1 866 . 17 1 1 A 79 79 SER CA C 79 58.409 60.387 -1.978 1
1 867 . 17 1 1 A 79 79 SER CB C 79 64.147 63.392 0.755 1
1 1 . 18 1 1 A 8 8 GLN H H 8 8.925 7.647 1.278 1
1 2 . 18 1 1 A 8 8 GLN HA H 8 4.398 4.907 -0.509 1
1 8 . 18 1 1 A 8 8 GLN CA C 8 56.051 54.477 1.574 1
1 9 . 18 1 1 A 8 8 GLN CB C 8 29.491 31.847 -2.356 1
1 12 . 18 1 1 A 12 12 THR HA H 12 4.352 4.601 -0.249 1
1 17 . 18 1 1 A 12 12 THR CA C 12 61.819 62.102 -0.283 1
1 18 . 18 1 1 A 12 12 THR CB C 12 69.783 69.692 0.091 1
1 20 . 18 1 1 A 13 13 SER HA H 13 4.465 4.571 -0.106 1
1 23 . 18 1 1 A 13 13 SER C C 13 173.828 174.689 -0.861 1
1 24 . 18 1 1 A 13 13 SER CA C 13 57.973 60.312 -2.339 1
1 25 . 18 1 1 A 13 13 SER CB C 13 64.246 64.406 -0.160 1
1 26 . 18 1 1 A 14 14 PHE H H 14 8.322 7.845 0.477 1
1 27 . 18 1 1 A 14 14 PHE HA H 14 5.035 4.631 0.404 1
1 35 . 18 1 1 A 14 14 PHE C C 14 176.750 175.177 1.573 1
1 36 . 18 1 1 A 14 14 PHE CA C 14 56.624 58.628 -2.004 1
1 37 . 18 1 1 A 14 14 PHE CB C 14 41.174 39.580 1.594 1
1 43 . 18 1 1 A 14 14 PHE N N 14 121.036 119.816 1.220 1
1 44 . 18 1 1 A 15 15 THR H H 15 8.944 8.667 0.277 1
1 45 . 18 1 1 A 15 15 THR HA H 15 4.529 5.013 -0.484 1
1 50 . 18 1 1 A 15 15 THR C C 15 175.433 175.526 -0.093 1
1 51 . 18 1 1 A 15 15 THR CA C 15 60.644 59.404 1.240 1
1 52 . 18 1 1 A 15 15 THR CB C 15 70.784 71.846 -1.062 1
1 54 . 18 1 1 A 15 15 THR N N 15 113.618 111.754 1.864 1
1 55 . 18 1 1 A 16 16 GLN H H 16 9.086 9.018 0.068 1
1 56 . 18 1 1 A 16 16 GLN HA H 16 4.016 3.990 0.026 1
1 63 . 18 1 1 A 16 16 GLN C C 16 178.149 177.558 0.591 1
1 64 . 18 1 1 A 16 16 GLN CA C 16 59.283 59.240 0.043 1
1 65 . 18 1 1 A 16 16 GLN CB C 16 27.943 28.226 -0.283 1
1 67 . 18 1 1 A 16 16 GLN N N 16 121.415 121.704 -0.289 1
1 69 . 18 1 1 A 17 17 GLU H H 17 8.837 8.174 0.663 1
1 70 . 18 1 1 A 17 17 GLU HA H 17 4.048 4.475 -0.427 1
1 75 . 18 1 1 A 17 17 GLU C C 17 180.248 178.426 1.822 1
1 76 . 18 1 1 A 17 17 GLU CA C 17 60.156 58.923 1.233 1
1 77 . 18 1 1 A 17 17 GLU CB C 17 29.125 29.279 -0.154 1
1 79 . 18 1 1 A 17 17 GLU N N 17 117.930 118.565 -0.635 1
1 80 . 18 1 1 A 18 18 GLN H H 18 7.738 8.237 -0.499 1
1 81 . 18 1 1 A 18 18 GLN HA H 18 3.809 4.234 -0.425 1
1 88 . 18 1 1 A 18 18 GLN C C 18 177.079 178.273 -1.194 1
1 89 . 18 1 1 A 18 18 GLN CA C 18 59.358 57.907 1.451 1
1 90 . 18 1 1 A 18 18 GLN CB C 18 27.338 29.302 -1.964 1
1 92 . 18 1 1 A 18 18 GLN N N 18 119.421 119.007 0.414 1
1 94 . 18 1 1 A 19 19 ILE H H 19 8.265 8.424 -0.159 1
1 95 . 18 1 1 A 19 19 ILE HA H 19 3.240 3.381 -0.141 1
1 105 . 18 1 1 A 19 19 ILE C C 19 177.409 177.706 -0.297 1
1 106 . 18 1 1 A 19 19 ILE CA C 19 64.693 65.525 -0.832 1
1 107 . 18 1 1 A 19 19 ILE CB C 19 37.544 37.794 -0.250 1
1 111 . 18 1 1 A 19 19 ILE N N 19 118.326 120.975 -2.649 1
1 112 . 18 1 1 A 20 20 GLU H H 20 8.304 8.166 0.138 1
1 113 . 18 1 1 A 20 20 GLU HA H 20 3.916 4.075 -0.159 1
1 118 . 18 1 1 A 20 20 GLU C C 20 179.281 178.482 0.799 1
1 119 . 18 1 1 A 20 20 GLU CA C 20 59.674 58.860 0.814 1
1 120 . 18 1 1 A 20 20 GLU CB C 20 29.369 29.385 -0.016 1
1 122 . 18 1 1 A 20 20 GLU N N 20 117.948 119.997 -2.049 1
1 123 . 18 1 1 A 21 21 ALA H H 21 7.335 7.797 -0.462 1
1 124 . 18 1 1 A 21 21 ALA HA H 21 4.095 4.030 0.065 1
1 128 . 18 1 1 A 21 21 ALA C C 21 180.825 180.380 0.445 1
1 129 . 18 1 1 A 21 21 ALA CA C 21 54.885 54.600 0.285 1
1 130 . 18 1 1 A 21 21 ALA CB C 21 19.190 18.448 0.742 1
1 131 . 18 1 1 A 21 21 ALA N N 21 120.460 122.379 -1.919 1
1 132 . 18 1 1 A 22 22 LEU H H 22 8.100 8.120 -0.020 1
1 133 . 18 1 1 A 22 22 LEU HA H 22 3.490 3.696 -0.206 1
1 143 . 18 1 1 A 22 22 LEU C C 22 177.861 178.946 -1.085 1
1 144 . 18 1 1 A 22 22 LEU CA C 22 58.530 57.135 1.395 1
1 145 . 18 1 1 A 22 22 LEU CB C 22 37.691 40.072 -2.381 1
1 149 . 18 1 1 A 22 22 LEU N N 22 122.412 120.072 2.340 1
1 150 . 18 1 1 A 23 23 GLU H H 23 8.534 8.602 -0.068 1
1 151 . 18 1 1 A 23 23 GLU HA H 23 4.360 4.174 0.186 1
1 156 . 18 1 1 A 23 23 GLU C C 23 180.413 179.710 0.703 1
1 157 . 18 1 1 A 23 23 GLU CA C 23 59.072 59.566 -0.494 1
1 158 . 18 1 1 A 23 23 GLU CB C 23 28.905 29.784 -0.879 1
1 160 . 18 1 1 A 23 23 GLU N N 23 118.309 119.661 -1.352 1
1 161 . 18 1 1 A 24 24 LYS H H 24 7.898 7.875 0.023 1
1 162 . 18 1 1 A 24 24 LYS HA H 24 4.170 4.059 0.111 1
1 170 . 18 1 1 A 24 24 LYS C C 24 179.672 178.260 1.412 1
1 171 . 18 1 1 A 24 24 LYS CA C 24 59.144 59.086 0.058 1
1 172 . 18 1 1 A 24 24 LYS CB C 24 32.082 31.917 0.165 1
1 176 . 18 1 1 A 24 24 LYS N N 24 119.449 121.285 -1.836 1
1 177 . 18 1 1 A 25 25 GLU H H 25 7.887 7.638 0.249 1
1 178 . 18 1 1 A 25 25 GLU HA H 25 4.596 4.157 0.439 1
1 183 . 18 1 1 A 25 25 GLU C C 25 177.923 179.034 -1.111 1
1 184 . 18 1 1 A 25 25 GLU CA C 25 58.799 59.008 -0.209 1
1 185 . 18 1 1 A 25 25 GLU CB C 25 28.787 29.455 -0.668 1
1 187 . 18 1 1 A 25 25 GLU N N 25 121.941 118.500 3.441 1
1 188 . 18 1 1 A 26 26 PHE H H 26 8.843 8.404 0.439 1
1 189 . 18 1 1 A 26 26 PHE HA H 26 4.865 4.628 0.237 1
1 197 . 18 1 1 A 26 26 PHE C C 26 176.380 177.845 -1.465 1
1 198 . 18 1 1 A 26 26 PHE CA C 26 60.798 61.162 -0.364 1
1 199 . 18 1 1 A 26 26 PHE CB C 26 38.969 38.789 0.180 1
1 205 . 18 1 1 A 26 26 PHE N N 26 121.919 121.062 0.857 1
1 206 . 18 1 1 A 27 27 GLU H H 27 7.839 8.757 -0.918 1
1 207 . 18 1 1 A 27 27 GLU HA H 27 3.952 4.182 -0.230 1
1 212 . 18 1 1 A 27 27 GLU C C 27 178.335 178.421 -0.086 1
1 213 . 18 1 1 A 27 27 GLU CA C 27 58.650 58.977 -0.327 1
1 214 . 18 1 1 A 27 27 GLU CB C 27 29.772 28.533 1.239 1
1 216 . 18 1 1 A 27 27 GLU N N 27 115.144 117.379 -2.235 1
1 217 . 18 1 1 A 28 28 ARG H H 28 7.573 7.871 -0.298 1
1 218 . 18 1 1 A 28 28 ARG HA H 28 4.109 4.231 -0.122 1
1 225 . 18 1 1 A 28 28 ARG C C 28 177.059 175.672 1.387 1
1 226 . 18 1 1 A 28 28 ARG CA C 28 58.740 57.562 1.178 1
1 227 . 18 1 1 A 28 28 ARG CB C 28 30.995 31.482 -0.487 1
1 230 . 18 1 1 A 28 28 ARG N N 28 120.497 119.818 0.679 1
1 231 . 18 1 1 A 29 29 THR H H 29 8.786 7.354 1.432 1
1 232 . 18 1 1 A 29 29 THR HA H 29 4.291 4.403 -0.112 1
1 237 . 18 1 1 A 29 29 THR C C 29 170.391 173.422 -3.031 1
1 238 . 18 1 1 A 29 29 THR CA C 29 59.674 60.435 -0.761 1
1 239 . 18 1 1 A 29 29 THR CB C 29 68.880 71.235 -2.355 1
1 241 . 18 1 1 A 29 29 THR N N 29 114.915 112.035 2.880 1
1 242 . 18 1 1 A 30 30 HIS H H 30 8.292 8.381 -0.089 1
1 243 . 18 1 1 A 30 30 HIS HA H 30 4.420 3.672 0.748 1
1 248 . 18 1 1 A 30 30 HIS C C 30 174.569 174.538 0.031 1
1 249 . 18 1 1 A 30 30 HIS CA C 30 54.798 57.075 -2.277 1
1 250 . 18 1 1 A 30 30 HIS CB C 30 30.629 29.122 1.507 1
1 253 . 18 1 1 A 30 30 HIS N N 30 122.126 124.263 -2.137 1
1 254 . 18 1 1 A 31 31 TYR H H 31 8.179 7.281 0.898 1
1 255 . 18 1 1 A 31 31 TYR HA H 31 4.731 4.964 -0.233 1
1 262 . 18 1 1 A 31 31 TYR C C 31 172.551 173.164 -0.613 1
1 263 . 18 1 1 A 31 31 TYR CA C 31 55.259 54.958 0.301 1
1 264 . 18 1 1 A 31 31 TYR CB C 31 39.362 38.398 0.964 1
1 269 . 18 1 1 A 31 31 TYR N N 31 115.063 117.721 -2.658 1
1 270 . 18 1 1 A 32 32 PRO HA H 32 4.256 4.651 -0.395 1
1 277 . 18 1 1 A 32 32 PRO C C 32 177.388 176.902 0.486 1
1 278 . 18 1 1 A 32 32 PRO CA C 32 62.903 62.386 0.517 1
1 279 . 18 1 1 A 32 32 PRO CB C 32 30.896 30.928 -0.032 1
1 282 . 18 1 1 A 33 33 ASP H H 33 8.457 8.661 -0.204 1
1 283 . 18 1 1 A 33 33 ASP HA H 33 4.495 4.637 -0.142 1
1 286 . 18 1 1 A 33 33 ASP C C 33 175.824 177.534 -1.710 1
1 287 . 18 1 1 A 33 33 ASP CA C 33 52.776 54.534 -1.758 1
1 288 . 18 1 1 A 33 33 ASP CB C 33 41.174 41.942 -0.768 1
1 289 . 18 1 1 A 33 33 ASP N N 33 124.636 122.577 2.059 1
1 290 . 18 1 1 A 34 34 VAL H H 34 8.331 8.477 -0.146 1
1 291 . 18 1 1 A 34 34 VAL HA H 34 3.488 3.797 -0.309 1
1 299 . 18 1 1 A 34 34 VAL C C 34 176.133 177.394 -1.261 1
1 300 . 18 1 1 A 34 34 VAL CA C 34 66.176 65.168 1.008 1
1 301 . 18 1 1 A 34 34 VAL CB C 34 31.401 31.416 -0.015 1
1 304 . 18 1 1 A 34 34 VAL N N 34 117.908 124.104 -6.196 1
1 305 . 18 1 1 A 35 35 PHE H H 35 7.127 7.702 -0.575 1
1 306 . 18 1 1 A 35 35 PHE HA H 35 4.339 4.200 0.139 1
1 314 . 18 1 1 A 35 35 PHE C C 35 178.808 176.803 2.005 1
1 315 . 18 1 1 A 35 35 PHE CA C 35 60.335 61.294 -0.959 1
1 316 . 18 1 1 A 35 35 PHE CB C 35 37.927 37.870 0.057 1
1 322 . 18 1 1 A 35 35 PHE N N 35 120.263 120.280 -0.017 1
1 323 . 18 1 1 A 36 36 ALA H H 36 8.428 8.173 0.255 1
1 324 . 18 1 1 A 36 36 ALA HA H 36 4.094 4.436 -0.342 1
1 328 . 18 1 1 A 36 36 ALA C C 36 181.812 179.064 2.748 1
1 329 . 18 1 1 A 36 36 ALA CA C 36 55.062 54.322 0.740 1
1 330 . 18 1 1 A 36 36 ALA CB C 36 18.484 19.401 -0.917 1
1 331 . 18 1 1 A 36 36 ALA N N 36 123.569 121.860 1.709 1
1 332 . 18 1 1 A 37 37 ARG H H 37 8.695 8.018 0.677 1
1 333 . 18 1 1 A 37 37 ARG HA H 37 3.920 4.030 -0.110 1
1 341 . 18 1 1 A 37 37 ARG C C 37 178.232 178.919 -0.687 1
1 342 . 18 1 1 A 37 37 ARG CA C 37 61.034 59.819 1.215 1
1 343 . 18 1 1 A 37 37 ARG CB C 37 31.263 29.811 1.452 1
1 346 . 18 1 1 A 37 37 ARG N N 37 117.907 117.403 0.504 1
1 348 . 18 1 1 A 38 38 GLU H H 38 8.531 8.266 0.265 1
1 349 . 18 1 1 A 38 38 GLU HA H 38 4.051 4.079 -0.028 1
1 354 . 18 1 1 A 38 38 GLU C C 38 179.940 179.366 0.574 1
1 355 . 18 1 1 A 38 38 GLU CA C 38 59.765 59.239 0.526 1
1 356 . 18 1 1 A 38 38 GLU CB C 38 29.456 29.129 0.327 1
1 358 . 18 1 1 A 38 38 GLU N N 38 119.688 119.582 0.106 1
1 359 . 18 1 1 A 39 39 ARG H H 39 8.096 8.054 0.042 1
1 360 . 18 1 1 A 39 39 ARG HA H 39 4.130 4.063 0.067 1
1 366 . 18 1 1 A 39 39 ARG C C 39 179.425 178.961 0.464 1
1 367 . 18 1 1 A 39 39 ARG CA C 39 59.368 58.980 0.388 1
1 368 . 18 1 1 A 39 39 ARG CB C 39 30.300 29.804 0.496 1
1 371 . 18 1 1 A 39 39 ARG N N 39 120.527 120.391 0.136 1
1 372 . 18 1 1 A 40 40 LEU H H 40 7.933 8.200 -0.267 1
1 373 . 18 1 1 A 40 40 LEU HA H 40 4.121 4.067 0.054 1
1 383 . 18 1 1 A 40 40 LEU C C 40 177.861 178.231 -0.370 1
1 384 . 18 1 1 A 40 40 LEU CA C 40 57.807 57.691 0.116 1
1 385 . 18 1 1 A 40 40 LEU CB C 40 42.446 41.252 1.194 1
1 389 . 18 1 1 A 40 40 LEU N N 40 121.371 121.308 0.063 1
1 390 . 18 1 1 A 41 41 ALA H H 41 8.537 8.494 0.043 1
1 391 . 18 1 1 A 41 41 ALA HA H 41 4.102 3.981 0.121 1
1 395 . 18 1 1 A 41 41 ALA C C 41 180.372 179.255 1.117 1
1 396 . 18 1 1 A 41 41 ALA CA C 41 56.060 55.382 0.678 1
1 397 . 18 1 1 A 41 41 ALA CB C 41 18.892 18.233 0.659 1
1 398 . 18 1 1 A 41 41 ALA N N 41 121.892 120.380 1.512 1
1 399 . 18 1 1 A 42 42 ALA H H 42 7.400 7.308 0.092 1
1 400 . 18 1 1 A 42 42 ALA HA H 42 4.242 4.215 0.027 1
1 404 . 18 1 1 A 42 42 ALA C C 42 179.631 180.206 -0.575 1
1 405 . 18 1 1 A 42 42 ALA CA C 42 53.951 53.480 0.471 1
1 406 . 18 1 1 A 42 42 ALA CB C 42 18.484 18.962 -0.478 1
1 407 . 18 1 1 A 42 42 ALA N N 42 116.807 119.371 -2.564 1
1 408 . 18 1 1 A 43 43 LYS H H 43 7.781 8.309 -0.528 1
1 409 . 18 1 1 A 43 43 LYS HA H 43 4.229 4.073 0.156 1
1 417 . 18 1 1 A 43 43 LYS C C 43 178.746 178.002 0.744 1
1 418 . 18 1 1 A 43 43 LYS CA C 43 58.710 58.599 0.111 1
1 419 . 18 1 1 A 43 43 LYS CB C 43 33.610 32.684 0.926 1
1 423 . 18 1 1 A 43 43 LYS N N 43 118.433 118.123 0.310 1
1 424 . 18 1 1 A 44 44 ILE H H 44 8.094 7.455 0.639 1
1 425 . 18 1 1 A 44 44 ILE HA H 44 4.655 4.394 0.261 1
1 435 . 18 1 1 A 44 44 ILE C C 44 175.042 174.935 0.107 1
1 436 . 18 1 1 A 44 44 ILE CA C 44 60.606 59.959 0.647 1
1 437 . 18 1 1 A 44 44 ILE CB C 44 38.341 37.879 0.462 1
1 441 . 18 1 1 A 44 44 ILE N N 44 108.112 111.468 -3.356 1
1 442 . 18 1 1 A 45 45 ASP H H 45 7.811 7.977 -0.166 1
1 443 . 18 1 1 A 45 45 ASP HA H 45 4.333 4.211 0.122 1
1 446 . 18 1 1 A 45 45 ASP C C 45 173.848 174.436 -0.588 1
1 447 . 18 1 1 A 45 45 ASP CA C 45 55.065 55.354 -0.289 1
1 448 . 18 1 1 A 45 45 ASP CB C 45 39.031 38.923 0.108 1
1 449 . 18 1 1 A 45 45 ASP N N 45 121.798 118.105 3.693 1
1 450 . 18 1 1 A 46 46 LEU H H 46 7.550 7.990 -0.440 1
1 451 . 18 1 1 A 46 46 LEU HA H 46 4.990 4.815 0.175 1
1 461 . 18 1 1 A 46 46 LEU C C 46 173.536 174.337 -0.801 1
1 462 . 18 1 1 A 46 46 LEU CA C 46 51.364 51.278 0.086 1
1 463 . 18 1 1 A 46 46 LEU CB C 46 47.443 44.758 2.685 1
1 467 . 18 1 1 A 46 46 LEU N N 46 118.454 119.172 -0.718 1
1 468 . 18 1 1 A 47 47 PRO HA H 47 4.548 4.651 -0.103 1
1 475 . 18 1 1 A 47 47 PRO C C 47 178.417 177.877 0.540 1
1 476 . 18 1 1 A 47 47 PRO CA C 47 62.268 62.826 -0.558 1
1 477 . 18 1 1 A 47 47 PRO CB C 47 32.600 32.301 0.299 1
1 480 . 18 1 1 A 48 48 GLU H H 48 9.253 9.045 0.208 1
1 481 . 18 1 1 A 48 48 GLU HA H 48 3.799 4.016 -0.217 1
1 486 . 18 1 1 A 48 48 GLU C C 48 178.273 178.200 0.073 1
1 487 . 18 1 1 A 48 48 GLU CA C 48 61.083 59.376 1.707 1
1 488 . 18 1 1 A 48 48 GLU CB C 48 28.815 29.498 -0.683 1
1 490 . 18 1 1 A 48 48 GLU N N 48 126.081 124.419 1.662 1
1 491 . 18 1 1 A 49 49 ALA H H 49 8.923 8.084 0.839 1
1 492 . 18 1 1 A 49 49 ALA HA H 49 4.128 4.195 -0.067 1
1 496 . 18 1 1 A 49 49 ALA C C 49 181.277 179.541 1.736 1
1 497 . 18 1 1 A 49 49 ALA CA C 49 55.569 54.975 0.594 1
1 498 . 18 1 1 A 49 49 ALA CB C 49 18.681 18.409 0.272 1
1 499 . 18 1 1 A 49 49 ALA N N 49 119.313 122.683 -3.370 1
1 500 . 18 1 1 A 50 50 ARG H H 50 7.417 8.019 -0.602 1
1 501 . 18 1 1 A 50 50 ARG HA H 50 4.348 4.176 0.172 1
1 508 . 18 1 1 A 50 50 ARG C C 50 179.425 178.619 0.806 1
1 509 . 18 1 1 A 50 50 ARG CA C 50 57.978 59.647 -1.669 1
1 510 . 18 1 1 A 50 50 ARG CB C 50 29.723 30.121 -0.398 1
1 513 . 18 1 1 A 50 50 ARG N N 50 114.567 118.032 -3.465 1
1 514 . 18 1 1 A 51 51 ILE H H 51 7.785 7.968 -0.183 1
1 515 . 18 1 1 A 51 51 ILE HA H 51 3.816 3.853 -0.037 1
1 525 . 18 1 1 A 51 51 ILE C C 51 178.088 178.196 -0.108 1
1 526 . 18 1 1 A 51 51 ILE CA C 51 65.848 65.468 0.380 1
1 527 . 18 1 1 A 51 51 ILE CB C 51 37.785 37.784 0.001 1
1 531 . 18 1 1 A 51 51 ILE N N 51 121.669 120.838 0.831 1
1 532 . 18 1 1 A 52 52 GLN H H 52 8.478 8.173 0.305 1
1 533 . 18 1 1 A 52 52 GLN HA H 52 4.423 4.056 0.367 1
1 539 . 18 1 1 A 52 52 GLN C C 52 179.364 178.952 0.412 1
1 540 . 18 1 1 A 52 52 GLN CA C 52 60.232 58.965 1.267 1
1 541 . 18 1 1 A 52 52 GLN CB C 52 28.945 28.454 0.491 1
1 543 . 18 1 1 A 52 52 GLN N N 52 118.943 118.055 0.888 1
1 545 . 18 1 1 A 53 53 VAL H H 53 7.582 8.095 -0.513 1
1 546 . 18 1 1 A 53 53 VAL HA H 53 3.842 3.677 0.165 1
1 554 . 18 1 1 A 53 53 VAL C C 53 177.800 178.221 -0.421 1
1 555 . 18 1 1 A 53 53 VAL CA C 53 66.633 66.679 -0.046 1
1 556 . 18 1 1 A 53 53 VAL CB C 53 32.241 31.830 0.411 1
1 559 . 18 1 1 A 53 53 VAL N N 53 120.375 119.991 0.384 1
1 560 . 18 1 1 A 54 54 TRP H H 54 8.390 8.611 -0.221 1
1 561 . 18 1 1 A 54 54 TRP HA H 54 4.050 4.203 -0.153 1
1 570 . 18 1 1 A 54 54 TRP C C 54 180.084 177.876 2.208 1
1 571 . 18 1 1 A 54 54 TRP CA C 54 63.229 60.703 2.526 1
1 572 . 18 1 1 A 54 54 TRP CB C 54 28.726 29.602 -0.876 1
1 578 . 18 1 1 A 54 54 TRP N N 54 121.414 121.118 0.296 1
1 580 . 18 1 1 A 55 55 PHE H H 55 9.127 8.180 0.947 1
1 581 . 18 1 1 A 55 55 PHE HA H 55 3.771 4.633 -0.862 1
1 589 . 18 1 1 A 55 55 PHE C C 55 178.170 178.486 -0.316 1
1 590 . 18 1 1 A 55 55 PHE CA C 55 63.826 61.599 2.227 1
1 591 . 18 1 1 A 55 55 PHE CB C 55 39.195 39.306 -0.111 1
1 597 . 18 1 1 A 55 55 PHE N N 55 118.358 116.914 1.444 1
1 598 . 18 1 1 A 56 56 SER H H 56 8.267 8.407 -0.140 1
1 599 . 18 1 1 A 56 56 SER HA H 56 4.148 4.143 0.005 1
1 602 . 18 1 1 A 56 56 SER C C 56 178.376 177.438 0.938 1
1 603 . 18 1 1 A 56 56 SER CA C 56 62.578 61.847 0.731 1
1 604 . 18 1 1 A 56 56 SER CB C 56 62.412 63.206 -0.794 1
1 605 . 18 1 1 A 56 56 SER N N 56 115.049 115.970 -0.921 1
1 606 . 18 1 1 A 57 57 ASN H H 57 8.231 8.234 -0.003 1
1 607 . 18 1 1 A 57 57 ASN HA H 57 4.411 4.467 -0.056 1
1 612 . 18 1 1 A 57 57 ASN C C 57 177.573 178.309 -0.736 1
1 613 . 18 1 1 A 57 57 ASN CA C 57 55.698 56.034 -0.336 1
1 614 . 18 1 1 A 57 57 ASN CB C 57 37.827 37.798 0.029 1
1 615 . 18 1 1 A 57 57 ASN N N 57 120.846 120.053 0.793 1
1 617 . 18 1 1 A 58 58 ARG H H 58 8.531 7.775 0.756 1
1 618 . 18 1 1 A 58 58 ARG HA H 58 3.533 3.684 -0.151 1
1 626 . 18 1 1 A 58 58 ARG C C 58 179.919 179.306 0.613 1
1 627 . 18 1 1 A 58 58 ARG CA C 58 56.451 59.352 -2.901 1
1 628 . 18 1 1 A 58 58 ARG CB C 58 27.981 29.512 -1.531 1
1 631 . 18 1 1 A 58 58 ARG N N 58 124.704 120.723 3.981 1
1 633 . 18 1 1 A 59 59 ARG H H 59 8.496 8.041 0.455 1
1 634 . 18 1 1 A 59 59 ARG HA H 59 4.072 4.278 -0.206 1
1 641 . 18 1 1 A 59 59 ARG C C 59 178.520 179.374 -0.854 1
1 642 . 18 1 1 A 59 59 ARG CA C 59 60.970 59.742 1.228 1
1 643 . 18 1 1 A 59 59 ARG CB C 59 31.601 29.895 1.706 1
1 646 . 18 1 1 A 59 59 ARG N N 59 120.108 119.670 0.438 1
1 647 . 18 1 1 A 60 60 ALA H H 60 7.487 7.637 -0.150 1
1 648 . 18 1 1 A 60 60 ALA HA H 60 4.197 4.134 0.063 1
1 652 . 18 1 1 A 60 60 ALA C C 60 180.475 180.059 0.416 1
1 653 . 18 1 1 A 60 60 ALA CA C 60 55.547 54.763 0.784 1
1 654 . 18 1 1 A 60 60 ALA CB C 60 17.635 18.287 -0.652 1
1 655 . 18 1 1 A 60 60 ALA N N 60 121.949 121.725 0.224 1
1 656 . 18 1 1 A 61 61 LYS H H 61 7.733 7.791 -0.058 1
1 657 . 18 1 1 A 61 61 LYS HA H 61 3.927 4.015 -0.088 1
1 666 . 18 1 1 A 61 61 LYS C C 61 177.656 178.553 -0.897 1
1 667 . 18 1 1 A 61 61 LYS CA C 61 59.590 58.720 0.870 1
1 668 . 18 1 1 A 61 61 LYS CB C 61 32.903 32.038 0.865 1
1 672 . 18 1 1 A 61 61 LYS N N 61 120.311 118.060 2.251 1
1 673 . 18 1 1 A 62 62 TRP H H 62 8.235 8.406 -0.171 1
1 674 . 18 1 1 A 62 62 TRP HA H 62 4.475 4.288 0.187 1
1 683 . 18 1 1 A 62 62 TRP C C 62 178.088 178.384 -0.296 1
1 684 . 18 1 1 A 62 62 TRP CA C 62 61.043 60.504 0.539 1
1 685 . 18 1 1 A 62 62 TRP CB C 62 29.113 29.545 -0.432 1
1 691 . 18 1 1 A 62 62 TRP N N 62 120.161 121.883 -1.722 1
1 693 . 18 1 1 A 63 63 ARG H H 63 8.579 8.962 -0.383 1
1 694 . 18 1 1 A 63 63 ARG HA H 63 3.762 3.800 -0.038 1
1 701 . 18 1 1 A 63 63 ARG C C 63 179.220 178.430 0.790 1
1 702 . 18 1 1 A 63 63 ARG CA C 63 59.644 59.396 0.248 1
1 703 . 18 1 1 A 63 63 ARG CB C 63 30.498 30.084 0.414 1
1 706 . 18 1 1 A 63 63 ARG N N 63 117.951 118.896 -0.945 1
1 707 . 18 1 1 A 64 64 ARG H H 64 7.754 8.089 -0.335 1
1 708 . 18 1 1 A 64 64 ARG HA H 64 4.075 4.059 0.016 1
1 715 . 18 1 1 A 64 64 ARG C C 64 178.643 178.370 0.273 1
1 716 . 18 1 1 A 64 64 ARG CA C 64 59.313 58.785 0.528 1
1 717 . 18 1 1 A 64 64 ARG CB C 64 30.254 30.122 0.132 1
1 720 . 18 1 1 A 64 64 ARG N N 64 119.265 118.398 0.867 1
1 721 . 18 1 1 A 65 65 GLU H H 65 8.134 7.628 0.506 1
1 722 . 18 1 1 A 65 65 GLU HA H 65 3.988 4.090 -0.102 1
1 727 . 18 1 1 A 65 65 GLU C C 65 178.890 179.096 -0.206 1
1 728 . 18 1 1 A 65 65 GLU CA C 65 58.891 59.154 -0.263 1
1 729 . 18 1 1 A 65 65 GLU CB C 65 29.228 29.685 -0.457 1
1 731 . 18 1 1 A 65 65 GLU N N 65 119.336 119.221 0.115 1
1 732 . 18 1 1 A 66 66 GLU H H 66 8.212 8.180 0.032 1
1 733 . 18 1 1 A 66 66 GLU HA H 66 3.804 3.712 0.092 1
1 738 . 18 1 1 A 66 66 GLU C C 66 178.273 179.228 -0.955 1
1 739 . 18 1 1 A 66 66 GLU CA C 66 58.714 59.185 -0.471 1
1 740 . 18 1 1 A 66 66 GLU CB C 66 29.493 28.791 0.702 1
1 742 . 18 1 1 A 66 66 GLU N N 66 121.135 120.009 1.126 1
1 743 . 18 1 1 A 67 67 LYS H H 67 7.663 7.694 -0.031 1
1 744 . 18 1 1 A 67 67 LYS HA H 67 4.044 4.369 -0.325 1
1 752 . 18 1 1 A 67 67 LYS C C 67 178.787 179.066 -0.279 1
1 753 . 18 1 1 A 67 67 LYS CA C 67 58.801 59.162 -0.361 1
1 754 . 18 1 1 A 67 67 LYS CB C 67 32.239 32.433 -0.194 1
1 758 . 18 1 1 A 67 67 LYS N N 67 119.200 120.048 -0.848 1
1 759 . 18 1 1 A 68 68 LEU H H 68 7.631 8.022 -0.391 1
1 760 . 18 1 1 A 68 68 LEU HA H 68 4.155 3.868 0.287 1
1 770 . 18 1 1 A 68 68 LEU C C 68 179.055 179.254 -0.199 1
1 771 . 18 1 1 A 68 68 LEU CA C 68 56.903 57.783 -0.880 1
1 772 . 18 1 1 A 68 68 LEU CB C 68 41.850 41.667 0.183 1
1 776 . 18 1 1 A 68 68 LEU N N 68 118.976 120.611 -1.635 1
1 777 . 18 1 1 A 69 69 ARG H H 69 7.900 7.585 0.315 1
1 778 . 18 1 1 A 69 69 ARG HA H 69 4.089 3.992 0.097 1
1 785 . 18 1 1 A 69 69 ARG C C 69 177.985 178.743 -0.758 1
1 786 . 18 1 1 A 69 69 ARG CA C 69 58.551 58.852 -0.301 1
1 787 . 18 1 1 A 69 69 ARG CB C 69 30.430 29.821 0.609 1
1 790 . 18 1 1 A 69 69 ARG N N 69 119.387 120.781 -1.394 1
1 791 . 18 1 1 A 70 70 ASN H H 70 8.088 8.751 -0.663 1
1 792 . 18 1 1 A 70 70 ASN HA H 70 4.633 4.405 0.228 1
1 797 . 18 1 1 A 70 70 ASN C C 70 176.194 176.717 -0.523 1
1 798 . 18 1 1 A 70 70 ASN CA C 70 54.463 55.506 -1.043 1
1 799 . 18 1 1 A 70 70 ASN CB C 70 38.805 37.157 1.648 1
1 800 . 18 1 1 A 70 70 ASN N N 70 117.289 114.227 3.062 1
1 802 . 18 1 1 A 71 71 GLN H H 71 8.017 7.932 0.085 1
1 803 . 18 1 1 A 71 71 GLN HA H 71 4.263 4.213 0.050 1
1 810 . 18 1 1 A 71 71 GLN C C 71 176.750 176.325 0.425 1
1 811 . 18 1 1 A 71 71 GLN CA C 71 57.031 57.761 -0.730 1
1 812 . 18 1 1 A 71 71 GLN CB C 71 29.122 28.291 0.831 1
1 814 . 18 1 1 A 71 71 GLN N N 71 119.838 117.536 2.302 1
1 816 . 18 1 1 A 72 72 ARG H H 72 8.125 7.514 0.611 1
1 817 . 18 1 1 A 72 72 ARG HA H 72 4.312 4.511 -0.199 1
1 823 . 18 1 1 A 72 72 ARG C C 72 176.729 175.889 0.840 1
1 824 . 18 1 1 A 72 72 ARG CA C 72 56.840 55.198 1.642 1
1 825 . 18 1 1 A 72 72 ARG CB C 72 30.500 30.498 0.002 1
1 828 . 18 1 1 A 72 72 ARG N N 72 120.534 119.612 0.922 1
1 829 . 18 1 1 A 73 73 ARG H H 73 8.148 7.654 0.494 1
1 830 . 18 1 1 A 73 73 ARG HA H 73 4.412 3.857 0.555 1
1 836 . 18 1 1 A 73 73 ARG C C 73 176.552 174.332 2.220 1
1 837 . 18 1 1 A 73 73 ARG CA C 73 56.445 57.110 -0.665 1
1 838 . 18 1 1 A 73 73 ARG CB C 73 30.676 26.840 3.836 1
1 841 . 18 1 1 A 73 73 ARG N N 73 121.356 115.700 5.656 1
1 842 . 18 1 1 A 74 74 GLN HA H 74 4.334 4.666 -0.332 1
1 846 . 18 1 1 A 74 74 GLN CA C 74 56.127 54.304 1.823 1
1 847 . 18 1 1 A 74 74 GLN CB C 74 29.362 29.858 -0.496 1
1 849 . 18 1 1 A 76 76 GLY HA2 H 76 4.168 4.225 -0.057 1
1 850 . 18 1 1 A 76 76 GLY HA3 H 76 4.168 4.232 -0.064 1
1 851 . 18 1 1 A 76 76 GLY CA C 76 44.736 45.654 -0.918 1
1 852 . 18 1 1 A 77 77 PRO HA H 77 4.502 4.600 -0.098 1
1 859 . 18 1 1 A 77 77 PRO CA C 77 63.330 62.824 0.506 1
1 860 . 18 1 1 A 77 77 PRO CB C 77 32.217 32.275 -0.058 1
1 863 . 18 1 1 A 79 79 SER HA H 79 4.524 4.959 -0.435 1
1 865 . 18 1 1 A 79 79 SER C C 79 173.931 174.755 -0.824 1
1 866 . 18 1 1 A 79 79 SER CA C 79 58.409 56.273 2.136 1
1 867 . 18 1 1 A 79 79 SER CB C 79 64.147 65.480 -1.333 1
1 1 . 19 1 1 A 8 8 GLN H H 8 8.925 8.536 0.389 1
1 2 . 19 1 1 A 8 8 GLN HA H 8 4.398 4.371 0.027 1
1 8 . 19 1 1 A 8 8 GLN CA C 8 56.051 54.817 1.234 1
1 9 . 19 1 1 A 8 8 GLN CB C 8 29.491 27.162 2.329 1
1 12 . 19 1 1 A 12 12 THR HA H 12 4.352 4.538 -0.186 1
1 17 . 19 1 1 A 12 12 THR CA C 12 61.819 62.179 -0.360 1
1 18 . 19 1 1 A 12 12 THR CB C 12 69.783 70.433 -0.650 1
1 20 . 19 1 1 A 13 13 SER HA H 13 4.465 4.020 0.445 1
1 23 . 19 1 1 A 13 13 SER C C 13 173.828 173.447 0.381 1
1 24 . 19 1 1 A 13 13 SER CA C 13 57.973 59.803 -1.830 1
1 25 . 19 1 1 A 13 13 SER CB C 13 64.246 63.254 0.992 1
1 26 . 19 1 1 A 14 14 PHE H H 14 8.322 7.531 0.791 1
1 27 . 19 1 1 A 14 14 PHE HA H 14 5.035 5.105 -0.070 1
1 35 . 19 1 1 A 14 14 PHE C C 14 176.750 173.869 2.881 1
1 36 . 19 1 1 A 14 14 PHE CA C 14 56.624 56.589 0.035 1
1 37 . 19 1 1 A 14 14 PHE CB C 14 41.174 43.433 -2.259 1
1 43 . 19 1 1 A 14 14 PHE N N 14 121.036 120.047 0.989 1
1 44 . 19 1 1 A 15 15 THR H H 15 8.944 8.442 0.502 1
1 45 . 19 1 1 A 15 15 THR HA H 15 4.529 4.970 -0.441 1
1 50 . 19 1 1 A 15 15 THR C C 15 175.433 175.121 0.312 1
1 51 . 19 1 1 A 15 15 THR CA C 15 60.644 59.611 1.033 1
1 52 . 19 1 1 A 15 15 THR CB C 15 70.784 70.671 0.113 1
1 54 . 19 1 1 A 15 15 THR N N 15 113.618 114.525 -0.907 1
1 55 . 19 1 1 A 16 16 GLN H H 16 9.086 8.946 0.140 1
1 56 . 19 1 1 A 16 16 GLN HA H 16 4.016 4.049 -0.033 1
1 63 . 19 1 1 A 16 16 GLN C C 16 178.149 177.332 0.817 1
1 64 . 19 1 1 A 16 16 GLN CA C 16 59.283 59.165 0.118 1
1 65 . 19 1 1 A 16 16 GLN CB C 16 27.943 28.783 -0.840 1
1 67 . 19 1 1 A 16 16 GLN N N 16 121.415 126.184 -4.769 1
1 69 . 19 1 1 A 17 17 GLU H H 17 8.837 8.700 0.137 1
1 70 . 19 1 1 A 17 17 GLU HA H 17 4.048 4.223 -0.175 1
1 75 . 19 1 1 A 17 17 GLU C C 17 180.248 179.199 1.049 1
1 76 . 19 1 1 A 17 17 GLU CA C 17 60.156 59.416 0.740 1
1 77 . 19 1 1 A 17 17 GLU CB C 17 29.125 29.252 -0.127 1
1 79 . 19 1 1 A 17 17 GLU N N 17 117.930 118.901 -0.971 1
1 80 . 19 1 1 A 18 18 GLN H H 18 7.738 8.092 -0.354 1
1 81 . 19 1 1 A 18 18 GLN HA H 18 3.809 4.167 -0.358 1
1 88 . 19 1 1 A 18 18 GLN C C 18 177.079 178.250 -1.171 1
1 89 . 19 1 1 A 18 18 GLN CA C 18 59.358 58.051 1.307 1
1 90 . 19 1 1 A 18 18 GLN CB C 18 27.338 29.109 -1.771 1
1 92 . 19 1 1 A 18 18 GLN N N 18 119.421 118.783 0.638 1
1 94 . 19 1 1 A 19 19 ILE H H 19 8.265 8.500 -0.235 1
1 95 . 19 1 1 A 19 19 ILE HA H 19 3.240 3.413 -0.173 1
1 105 . 19 1 1 A 19 19 ILE C C 19 177.409 177.719 -0.310 1
1 106 . 19 1 1 A 19 19 ILE CA C 19 64.693 65.166 -0.473 1
1 107 . 19 1 1 A 19 19 ILE CB C 19 37.544 37.370 0.174 1
1 111 . 19 1 1 A 19 19 ILE N N 19 118.326 121.077 -2.751 1
1 112 . 19 1 1 A 20 20 GLU H H 20 8.304 8.831 -0.527 1
1 113 . 19 1 1 A 20 20 GLU HA H 20 3.916 4.006 -0.090 1
1 118 . 19 1 1 A 20 20 GLU C C 20 179.281 178.135 1.146 1
1 119 . 19 1 1 A 20 20 GLU CA C 20 59.674 59.139 0.535 1
1 120 . 19 1 1 A 20 20 GLU CB C 20 29.369 29.156 0.213 1
1 122 . 19 1 1 A 20 20 GLU N N 20 117.948 120.244 -2.296 1
1 123 . 19 1 1 A 21 21 ALA H H 21 7.335 7.844 -0.509 1
1 124 . 19 1 1 A 21 21 ALA HA H 21 4.095 4.111 -0.016 1
1 128 . 19 1 1 A 21 21 ALA C C 21 180.825 179.970 0.855 1
1 129 . 19 1 1 A 21 21 ALA CA C 21 54.885 53.996 0.889 1
1 130 . 19 1 1 A 21 21 ALA CB C 21 19.190 18.396 0.794 1
1 131 . 19 1 1 A 21 21 ALA N N 21 120.460 121.849 -1.389 1
1 132 . 19 1 1 A 22 22 LEU H H 22 8.100 8.010 0.090 1
1 133 . 19 1 1 A 22 22 LEU HA H 22 3.490 3.773 -0.283 1
1 143 . 19 1 1 A 22 22 LEU C C 22 177.861 178.766 -0.905 1
1 144 . 19 1 1 A 22 22 LEU CA C 22 58.530 56.966 1.564 1
1 145 . 19 1 1 A 22 22 LEU CB C 22 37.691 40.517 -2.826 1
1 149 . 19 1 1 A 22 22 LEU N N 22 122.412 119.554 2.858 1
1 150 . 19 1 1 A 23 23 GLU H H 23 8.534 8.218 0.316 1
1 151 . 19 1 1 A 23 23 GLU HA H 23 4.360 4.190 0.170 1
1 156 . 19 1 1 A 23 23 GLU C C 23 180.413 179.462 0.951 1
1 157 . 19 1 1 A 23 23 GLU CA C 23 59.072 59.677 -0.605 1
1 158 . 19 1 1 A 23 23 GLU CB C 23 28.905 29.812 -0.907 1
1 160 . 19 1 1 A 23 23 GLU N N 23 118.309 120.114 -1.805 1
1 161 . 19 1 1 A 24 24 LYS H H 24 7.898 7.650 0.248 1
1 162 . 19 1 1 A 24 24 LYS HA H 24 4.170 4.025 0.145 1
1 170 . 19 1 1 A 24 24 LYS C C 24 179.672 178.916 0.756 1
1 171 . 19 1 1 A 24 24 LYS CA C 24 59.144 59.427 -0.283 1
1 172 . 19 1 1 A 24 24 LYS CB C 24 32.082 32.156 -0.074 1
1 176 . 19 1 1 A 24 24 LYS N N 24 119.449 120.556 -1.107 1
1 177 . 19 1 1 A 25 25 GLU H H 25 7.887 7.590 0.297 1
1 178 . 19 1 1 A 25 25 GLU HA H 25 4.596 4.145 0.451 1
1 183 . 19 1 1 A 25 25 GLU C C 25 177.923 179.257 -1.334 1
1 184 . 19 1 1 A 25 25 GLU CA C 25 58.799 59.191 -0.392 1
1 185 . 19 1 1 A 25 25 GLU CB C 25 28.787 29.346 -0.559 1
1 187 . 19 1 1 A 25 25 GLU N N 25 121.941 119.291 2.650 1
1 188 . 19 1 1 A 26 26 PHE H H 26 8.843 8.312 0.531 1
1 189 . 19 1 1 A 26 26 PHE HA H 26 4.865 4.671 0.194 1
1 197 . 19 1 1 A 26 26 PHE C C 26 176.380 177.904 -1.524 1
1 198 . 19 1 1 A 26 26 PHE CA C 26 60.798 61.286 -0.488 1
1 199 . 19 1 1 A 26 26 PHE CB C 26 38.969 38.868 0.101 1
1 205 . 19 1 1 A 26 26 PHE N N 26 121.919 120.859 1.060 1
1 206 . 19 1 1 A 27 27 GLU H H 27 7.839 8.736 -0.897 1
1 207 . 19 1 1 A 27 27 GLU HA H 27 3.952 4.085 -0.133 1
1 212 . 19 1 1 A 27 27 GLU C C 27 178.335 178.741 -0.406 1
1 213 . 19 1 1 A 27 27 GLU CA C 27 58.650 60.539 -1.889 1
1 214 . 19 1 1 A 27 27 GLU CB C 27 29.772 29.140 0.632 1
1 216 . 19 1 1 A 27 27 GLU N N 27 115.144 117.433 -2.289 1
1 217 . 19 1 1 A 28 28 ARG H H 28 7.573 7.823 -0.250 1
1 218 . 19 1 1 A 28 28 ARG HA H 28 4.109 4.208 -0.099 1
1 225 . 19 1 1 A 28 28 ARG C C 28 177.059 175.658 1.401 1
1 226 . 19 1 1 A 28 28 ARG CA C 28 58.740 57.815 0.925 1
1 227 . 19 1 1 A 28 28 ARG CB C 28 30.995 31.744 -0.749 1
1 230 . 19 1 1 A 28 28 ARG N N 28 120.497 119.250 1.247 1
1 231 . 19 1 1 A 29 29 THR H H 29 8.786 7.641 1.145 1
1 232 . 19 1 1 A 29 29 THR HA H 29 4.291 4.511 -0.220 1
1 237 . 19 1 1 A 29 29 THR C C 29 170.391 173.854 -3.463 1
1 238 . 19 1 1 A 29 29 THR CA C 29 59.674 60.467 -0.793 1
1 239 . 19 1 1 A 29 29 THR CB C 29 68.880 71.338 -2.458 1
1 241 . 19 1 1 A 29 29 THR N N 29 114.915 111.949 2.966 1
1 242 . 19 1 1 A 30 30 HIS H H 30 8.292 8.487 -0.195 1
1 243 . 19 1 1 A 30 30 HIS HA H 30 4.420 3.177 1.243 1
1 248 . 19 1 1 A 30 30 HIS C C 30 174.569 174.137 0.432 1
1 249 . 19 1 1 A 30 30 HIS CA C 30 54.798 57.018 -2.220 1
1 250 . 19 1 1 A 30 30 HIS CB C 30 30.629 29.015 1.614 1
1 253 . 19 1 1 A 30 30 HIS N N 30 122.126 125.877 -3.751 1
1 254 . 19 1 1 A 31 31 TYR H H 31 8.179 7.346 0.833 1
1 255 . 19 1 1 A 31 31 TYR HA H 31 4.731 4.887 -0.156 1
1 262 . 19 1 1 A 31 31 TYR C C 31 172.551 172.879 -0.328 1
1 263 . 19 1 1 A 31 31 TYR CA C 31 55.259 54.932 0.327 1
1 264 . 19 1 1 A 31 31 TYR CB C 31 39.362 38.372 0.990 1
1 269 . 19 1 1 A 31 31 TYR N N 31 115.063 117.574 -2.511 1
1 270 . 19 1 1 A 32 32 PRO HA H 32 4.256 4.522 -0.266 1
1 277 . 19 1 1 A 32 32 PRO C C 32 177.388 176.996 0.392 1
1 278 . 19 1 1 A 32 32 PRO CA C 32 62.903 62.402 0.501 1
1 279 . 19 1 1 A 32 32 PRO CB C 32 30.896 31.370 -0.474 1
1 282 . 19 1 1 A 33 33 ASP H H 33 8.457 8.535 -0.078 1
1 283 . 19 1 1 A 33 33 ASP HA H 33 4.495 4.705 -0.210 1
1 286 . 19 1 1 A 33 33 ASP C C 33 175.824 177.627 -1.803 1
1 287 . 19 1 1 A 33 33 ASP CA C 33 52.776 54.016 -1.240 1
1 288 . 19 1 1 A 33 33 ASP CB C 33 41.174 42.115 -0.941 1
1 289 . 19 1 1 A 33 33 ASP N N 33 124.636 122.412 2.224 1
1 290 . 19 1 1 A 34 34 VAL H H 34 8.331 8.497 -0.166 1
1 291 . 19 1 1 A 34 34 VAL HA H 34 3.488 3.788 -0.300 1
1 299 . 19 1 1 A 34 34 VAL C C 34 176.133 177.398 -1.265 1
1 300 . 19 1 1 A 34 34 VAL CA C 34 66.176 65.213 0.963 1
1 301 . 19 1 1 A 34 34 VAL CB C 34 31.401 31.407 -0.006 1
1 304 . 19 1 1 A 34 34 VAL N N 34 117.908 123.309 -5.401 1
1 305 . 19 1 1 A 35 35 PHE H H 35 7.127 7.769 -0.642 1
1 306 . 19 1 1 A 35 35 PHE HA H 35 4.339 4.168 0.171 1
1 314 . 19 1 1 A 35 35 PHE C C 35 178.808 177.190 1.618 1
1 315 . 19 1 1 A 35 35 PHE CA C 35 60.335 61.523 -1.188 1
1 316 . 19 1 1 A 35 35 PHE CB C 35 37.927 37.758 0.169 1
1 322 . 19 1 1 A 35 35 PHE N N 35 120.263 120.120 0.143 1
1 323 . 19 1 1 A 36 36 ALA H H 36 8.428 7.727 0.701 1
1 324 . 19 1 1 A 36 36 ALA HA H 36 4.094 4.408 -0.314 1
1 328 . 19 1 1 A 36 36 ALA C C 36 181.812 179.070 2.742 1
1 329 . 19 1 1 A 36 36 ALA CA C 36 55.062 54.320 0.742 1
1 330 . 19 1 1 A 36 36 ALA CB C 36 18.484 19.461 -0.977 1
1 331 . 19 1 1 A 36 36 ALA N N 36 123.569 121.815 1.754 1
1 332 . 19 1 1 A 37 37 ARG H H 37 8.695 8.229 0.466 1
1 333 . 19 1 1 A 37 37 ARG HA H 37 3.920 4.032 -0.112 1
1 341 . 19 1 1 A 37 37 ARG C C 37 178.232 178.906 -0.674 1
1 342 . 19 1 1 A 37 37 ARG CA C 37 61.034 59.710 1.324 1
1 343 . 19 1 1 A 37 37 ARG CB C 37 31.263 29.923 1.340 1
1 346 . 19 1 1 A 37 37 ARG N N 37 117.907 117.826 0.081 1
1 348 . 19 1 1 A 38 38 GLU H H 38 8.531 8.131 0.400 1
1 349 . 19 1 1 A 38 38 GLU HA H 38 4.051 4.081 -0.030 1
1 354 . 19 1 1 A 38 38 GLU C C 38 179.940 179.417 0.523 1
1 355 . 19 1 1 A 38 38 GLU CA C 38 59.765 59.299 0.466 1
1 356 . 19 1 1 A 38 38 GLU CB C 38 29.456 29.227 0.229 1
1 358 . 19 1 1 A 38 38 GLU N N 38 119.688 119.491 0.197 1
1 359 . 19 1 1 A 39 39 ARG H H 39 8.096 8.052 0.044 1
1 360 . 19 1 1 A 39 39 ARG HA H 39 4.130 4.077 0.053 1
1 366 . 19 1 1 A 39 39 ARG C C 39 179.425 178.943 0.482 1
1 367 . 19 1 1 A 39 39 ARG CA C 39 59.368 59.007 0.361 1
1 368 . 19 1 1 A 39 39 ARG CB C 39 30.300 29.891 0.409 1
1 371 . 19 1 1 A 39 39 ARG N N 39 120.527 120.453 0.074 1
1 372 . 19 1 1 A 40 40 LEU H H 40 7.933 8.219 -0.286 1
1 373 . 19 1 1 A 40 40 LEU HA H 40 4.121 4.101 0.020 1
1 383 . 19 1 1 A 40 40 LEU C C 40 177.861 178.225 -0.364 1
1 384 . 19 1 1 A 40 40 LEU CA C 40 57.807 57.451 0.356 1
1 385 . 19 1 1 A 40 40 LEU CB C 40 42.446 41.397 1.049 1
1 389 . 19 1 1 A 40 40 LEU N N 40 121.371 121.488 -0.117 1
1 390 . 19 1 1 A 41 41 ALA H H 41 8.537 8.344 0.193 1
1 391 . 19 1 1 A 41 41 ALA HA H 41 4.102 4.167 -0.065 1
1 395 . 19 1 1 A 41 41 ALA C C 41 180.372 179.231 1.141 1
1 396 . 19 1 1 A 41 41 ALA CA C 41 56.060 55.418 0.642 1
1 397 . 19 1 1 A 41 41 ALA CB C 41 18.892 18.317 0.575 1
1 398 . 19 1 1 A 41 41 ALA N N 41 121.892 120.427 1.465 1
1 399 . 19 1 1 A 42 42 ALA H H 42 7.400 7.314 0.086 1
1 400 . 19 1 1 A 42 42 ALA HA H 42 4.242 4.216 0.026 1
1 404 . 19 1 1 A 42 42 ALA C C 42 179.631 180.117 -0.486 1
1 405 . 19 1 1 A 42 42 ALA CA C 42 53.951 53.247 0.704 1
1 406 . 19 1 1 A 42 42 ALA CB C 42 18.484 19.073 -0.589 1
1 407 . 19 1 1 A 42 42 ALA N N 42 116.807 119.490 -2.683 1
1 408 . 19 1 1 A 43 43 LYS H H 43 7.781 8.173 -0.392 1
1 409 . 19 1 1 A 43 43 LYS HA H 43 4.229 4.095 0.134 1
1 417 . 19 1 1 A 43 43 LYS C C 43 178.746 177.898 0.848 1
1 418 . 19 1 1 A 43 43 LYS CA C 43 58.710 58.589 0.121 1
1 419 . 19 1 1 A 43 43 LYS CB C 43 33.610 32.560 1.050 1
1 423 . 19 1 1 A 43 43 LYS N N 43 118.433 118.456 -0.023 1
1 424 . 19 1 1 A 44 44 ILE H H 44 8.094 7.322 0.772 1
1 425 . 19 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 1
1 435 . 19 1 1 A 44 44 ILE C C 44 175.042 175.315 -0.273 1
1 436 . 19 1 1 A 44 44 ILE CA C 44 60.606 60.237 0.369 1
1 437 . 19 1 1 A 44 44 ILE CB C 44 38.341 39.201 -0.860 1
1 441 . 19 1 1 A 44 44 ILE N N 44 108.112 111.667 -3.555 1
1 442 . 19 1 1 A 45 45 ASP H H 45 7.811 8.216 -0.405 1
1 443 . 19 1 1 A 45 45 ASP HA H 45 4.333 4.252 0.081 1
1 446 . 19 1 1 A 45 45 ASP C C 45 173.848 174.607 -0.759 1
1 447 . 19 1 1 A 45 45 ASP CA C 45 55.065 55.260 -0.195 1
1 448 . 19 1 1 A 45 45 ASP CB C 45 39.031 39.651 -0.620 1
1 449 . 19 1 1 A 45 45 ASP N N 45 121.798 121.956 -0.158 1
1 450 . 19 1 1 A 46 46 LEU H H 46 7.550 7.875 -0.325 1
1 451 . 19 1 1 A 46 46 LEU HA H 46 4.990 4.866 0.124 1
1 461 . 19 1 1 A 46 46 LEU C C 46 173.536 174.721 -1.185 1
1 462 . 19 1 1 A 46 46 LEU CA C 46 51.364 51.148 0.216 1
1 463 . 19 1 1 A 46 46 LEU CB C 46 47.443 44.679 2.764 1
1 467 . 19 1 1 A 46 46 LEU N N 46 118.454 119.306 -0.852 1
1 468 . 19 1 1 A 47 47 PRO HA H 47 4.548 4.698 -0.150 1
1 475 . 19 1 1 A 47 47 PRO C C 47 178.417 177.884 0.533 1
1 476 . 19 1 1 A 47 47 PRO CA C 47 62.268 62.867 -0.599 1
1 477 . 19 1 1 A 47 47 PRO CB C 47 32.600 32.029 0.571 1
1 480 . 19 1 1 A 48 48 GLU H H 48 9.253 9.066 0.187 1
1 481 . 19 1 1 A 48 48 GLU HA H 48 3.799 4.035 -0.236 1
1 486 . 19 1 1 A 48 48 GLU C C 48 178.273 178.365 -0.092 1
1 487 . 19 1 1 A 48 48 GLU CA C 48 61.083 59.514 1.569 1
1 488 . 19 1 1 A 48 48 GLU CB C 48 28.815 29.374 -0.559 1
1 490 . 19 1 1 A 48 48 GLU N N 48 126.081 124.585 1.496 1
1 491 . 19 1 1 A 49 49 ALA H H 49 8.923 8.163 0.760 1
1 492 . 19 1 1 A 49 49 ALA HA H 49 4.128 4.140 -0.012 1
1 496 . 19 1 1 A 49 49 ALA C C 49 181.277 179.403 1.874 1
1 497 . 19 1 1 A 49 49 ALA CA C 49 55.569 55.050 0.519 1
1 498 . 19 1 1 A 49 49 ALA CB C 49 18.681 18.417 0.264 1
1 499 . 19 1 1 A 49 49 ALA N N 49 119.313 122.292 -2.979 1
1 500 . 19 1 1 A 50 50 ARG H H 50 7.417 8.353 -0.936 1
1 501 . 19 1 1 A 50 50 ARG HA H 50 4.348 4.162 0.186 1
1 508 . 19 1 1 A 50 50 ARG C C 50 179.425 178.569 0.856 1
1 509 . 19 1 1 A 50 50 ARG CA C 50 57.978 59.676 -1.698 1
1 510 . 19 1 1 A 50 50 ARG CB C 50 29.723 30.140 -0.417 1
1 513 . 19 1 1 A 50 50 ARG N N 50 114.567 117.962 -3.395 1
1 514 . 19 1 1 A 51 51 ILE H H 51 7.785 7.874 -0.089 1
1 515 . 19 1 1 A 51 51 ILE HA H 51 3.816 3.838 -0.022 1
1 525 . 19 1 1 A 51 51 ILE C C 51 178.088 178.146 -0.058 1
1 526 . 19 1 1 A 51 51 ILE CA C 51 65.848 65.352 0.496 1
1 527 . 19 1 1 A 51 51 ILE CB C 51 37.785 37.752 0.033 1
1 531 . 19 1 1 A 51 51 ILE N N 51 121.669 120.781 0.888 1
1 532 . 19 1 1 A 52 52 GLN H H 52 8.478 8.266 0.212 1
1 533 . 19 1 1 A 52 52 GLN HA H 52 4.423 4.027 0.396 1
1 539 . 19 1 1 A 52 52 GLN C C 52 179.364 178.940 0.424 1
1 540 . 19 1 1 A 52 52 GLN CA C 52 60.232 58.982 1.250 1
1 541 . 19 1 1 A 52 52 GLN CB C 52 28.945 28.402 0.543 1
1 543 . 19 1 1 A 52 52 GLN N N 52 118.943 118.428 0.515 1
1 545 . 19 1 1 A 53 53 VAL H H 53 7.582 8.183 -0.601 1
1 546 . 19 1 1 A 53 53 VAL HA H 53 3.842 3.675 0.167 1
1 554 . 19 1 1 A 53 53 VAL C C 53 177.800 178.198 -0.398 1
1 555 . 19 1 1 A 53 53 VAL CA C 53 66.633 66.757 -0.124 1
1 556 . 19 1 1 A 53 53 VAL CB C 53 32.241 31.817 0.424 1
1 559 . 19 1 1 A 53 53 VAL N N 53 120.375 120.327 0.048 1
1 560 . 19 1 1 A 54 54 TRP H H 54 8.390 8.338 0.052 1
1 561 . 19 1 1 A 54 54 TRP HA H 54 4.050 4.146 -0.096 1
1 570 . 19 1 1 A 54 54 TRP C C 54 180.084 178.413 1.671 1
1 571 . 19 1 1 A 54 54 TRP CA C 54 63.229 61.086 2.143 1
1 572 . 19 1 1 A 54 54 TRP CB C 54 28.726 29.329 -0.603 1
1 578 . 19 1 1 A 54 54 TRP N N 54 121.414 121.271 0.143 1
1 580 . 19 1 1 A 55 55 PHE H H 55 9.127 8.632 0.495 1
1 581 . 19 1 1 A 55 55 PHE HA H 55 3.771 4.435 -0.664 1
1 589 . 19 1 1 A 55 55 PHE C C 55 178.170 178.086 0.084 1
1 590 . 19 1 1 A 55 55 PHE CA C 55 63.826 62.045 1.781 1
1 591 . 19 1 1 A 55 55 PHE CB C 55 39.195 38.130 1.065 1
1 597 . 19 1 1 A 55 55 PHE N N 55 118.358 117.120 1.238 1
1 598 . 19 1 1 A 56 56 SER H H 56 8.267 8.464 -0.197 1
1 599 . 19 1 1 A 56 56 SER HA H 56 4.148 4.166 -0.018 1
1 602 . 19 1 1 A 56 56 SER C C 56 178.376 177.397 0.979 1
1 603 . 19 1 1 A 56 56 SER CA C 56 62.578 61.743 0.835 1
1 604 . 19 1 1 A 56 56 SER CB C 56 62.412 62.963 -0.551 1
1 605 . 19 1 1 A 56 56 SER N N 56 115.049 115.802 -0.753 1
1 606 . 19 1 1 A 57 57 ASN H H 57 8.231 8.295 -0.064 1
1 607 . 19 1 1 A 57 57 ASN HA H 57 4.411 4.452 -0.041 1
1 612 . 19 1 1 A 57 57 ASN C C 57 177.573 178.276 -0.703 1
1 613 . 19 1 1 A 57 57 ASN CA C 57 55.698 56.061 -0.363 1
1 614 . 19 1 1 A 57 57 ASN CB C 57 37.827 37.752 0.075 1
1 615 . 19 1 1 A 57 57 ASN N N 57 120.846 120.010 0.836 1
1 617 . 19 1 1 A 58 58 ARG H H 58 8.531 7.394 1.137 1
1 618 . 19 1 1 A 58 58 ARG HA H 58 3.533 3.679 -0.146 1
1 626 . 19 1 1 A 58 58 ARG C C 58 179.919 179.283 0.636 1
1 627 . 19 1 1 A 58 58 ARG CA C 58 56.451 59.525 -3.074 1
1 628 . 19 1 1 A 58 58 ARG CB C 58 27.981 29.567 -1.586 1
1 631 . 19 1 1 A 58 58 ARG N N 58 124.704 120.227 4.477 1
1 633 . 19 1 1 A 59 59 ARG H H 59 8.496 7.926 0.570 1
1 634 . 19 1 1 A 59 59 ARG HA H 59 4.072 4.186 -0.114 1
1 641 . 19 1 1 A 59 59 ARG C C 59 178.520 179.293 -0.773 1
1 642 . 19 1 1 A 59 59 ARG CA C 59 60.970 59.653 1.317 1
1 643 . 19 1 1 A 59 59 ARG CB C 59 31.601 30.011 1.590 1
1 646 . 19 1 1 A 59 59 ARG N N 59 120.108 119.569 0.539 1
1 647 . 19 1 1 A 60 60 ALA H H 60 7.487 8.030 -0.543 1
1 648 . 19 1 1 A 60 60 ALA HA H 60 4.197 4.120 0.077 1
1 652 . 19 1 1 A 60 60 ALA C C 60 180.475 179.914 0.561 1
1 653 . 19 1 1 A 60 60 ALA CA C 60 55.547 54.763 0.784 1
1 654 . 19 1 1 A 60 60 ALA CB C 60 17.635 18.397 -0.762 1
1 655 . 19 1 1 A 60 60 ALA N N 60 121.949 121.694 0.255 1
1 656 . 19 1 1 A 61 61 LYS H H 61 7.733 7.844 -0.111 1
1 657 . 19 1 1 A 61 61 LYS HA H 61 3.927 4.013 -0.086 1
1 666 . 19 1 1 A 61 61 LYS C C 61 177.656 178.749 -1.093 1
1 667 . 19 1 1 A 61 61 LYS CA C 61 59.590 58.702 0.888 1
1 668 . 19 1 1 A 61 61 LYS CB C 61 32.903 31.973 0.930 1
1 672 . 19 1 1 A 61 61 LYS N N 61 120.311 117.993 2.318 1
1 673 . 19 1 1 A 62 62 TRP H H 62 8.235 8.414 -0.179 1
1 674 . 19 1 1 A 62 62 TRP HA H 62 4.475 4.228 0.247 1
1 683 . 19 1 1 A 62 62 TRP C C 62 178.088 178.240 -0.152 1
1 684 . 19 1 1 A 62 62 TRP CA C 62 61.043 60.385 0.658 1
1 685 . 19 1 1 A 62 62 TRP CB C 62 29.113 29.448 -0.335 1
1 691 . 19 1 1 A 62 62 TRP N N 62 120.161 121.913 -1.752 1
1 693 . 19 1 1 A 63 63 ARG H H 63 8.579 8.603 -0.024 1
1 694 . 19 1 1 A 63 63 ARG HA H 63 3.762 3.682 0.080 1
1 701 . 19 1 1 A 63 63 ARG C C 63 179.220 178.837 0.383 1
1 702 . 19 1 1 A 63 63 ARG CA C 63 59.644 59.463 0.181 1
1 703 . 19 1 1 A 63 63 ARG CB C 63 30.498 30.029 0.469 1
1 706 . 19 1 1 A 63 63 ARG N N 63 117.951 119.231 -1.280 1
1 707 . 19 1 1 A 64 64 ARG H H 64 7.754 7.884 -0.130 1
1 708 . 19 1 1 A 64 64 ARG HA H 64 4.075 3.994 0.081 1
1 715 . 19 1 1 A 64 64 ARG C C 64 178.643 178.703 -0.060 1
1 716 . 19 1 1 A 64 64 ARG CA C 64 59.313 58.955 0.358 1
1 717 . 19 1 1 A 64 64 ARG CB C 64 30.254 30.075 0.179 1
1 720 . 19 1 1 A 64 64 ARG N N 64 119.265 118.494 0.771 1
1 721 . 19 1 1 A 65 65 GLU H H 65 8.134 8.227 -0.093 1
1 722 . 19 1 1 A 65 65 GLU HA H 65 3.988 4.057 -0.069 1
1 727 . 19 1 1 A 65 65 GLU C C 65 178.890 178.790 0.100 1
1 728 . 19 1 1 A 65 65 GLU CA C 65 58.891 59.052 -0.161 1
1 729 . 19 1 1 A 65 65 GLU CB C 65 29.228 29.331 -0.103 1
1 731 . 19 1 1 A 65 65 GLU N N 65 119.336 119.341 -0.005 1
1 732 . 19 1 1 A 66 66 GLU H H 66 8.212 8.079 0.133 1
1 733 . 19 1 1 A 66 66 GLU HA H 66 3.804 3.771 0.033 1
1 738 . 19 1 1 A 66 66 GLU C C 66 178.273 178.525 -0.252 1
1 739 . 19 1 1 A 66 66 GLU CA C 66 58.714 58.940 -0.226 1
1 740 . 19 1 1 A 66 66 GLU CB C 66 29.493 28.809 0.684 1
1 742 . 19 1 1 A 66 66 GLU N N 66 121.135 119.988 1.147 1
1 743 . 19 1 1 A 67 67 LYS H H 67 7.663 7.711 -0.048 1
1 744 . 19 1 1 A 67 67 LYS HA H 67 4.044 4.060 -0.016 1
1 752 . 19 1 1 A 67 67 LYS C C 67 178.787 178.584 0.203 1
1 753 . 19 1 1 A 67 67 LYS CA C 67 58.801 59.231 -0.430 1
1 754 . 19 1 1 A 67 67 LYS CB C 67 32.239 32.028 0.211 1
1 758 . 19 1 1 A 67 67 LYS N N 67 119.200 119.855 -0.655 1
1 759 . 19 1 1 A 68 68 LEU H H 68 7.631 7.810 -0.179 1
1 760 . 19 1 1 A 68 68 LEU HA H 68 4.155 3.876 0.279 1
1 770 . 19 1 1 A 68 68 LEU C C 68 179.055 179.475 -0.420 1
1 771 . 19 1 1 A 68 68 LEU CA C 68 56.903 58.000 -1.097 1
1 772 . 19 1 1 A 68 68 LEU CB C 68 41.850 41.732 0.118 1
1 776 . 19 1 1 A 68 68 LEU N N 68 118.976 119.704 -0.728 1
1 777 . 19 1 1 A 69 69 ARG H H 69 7.900 7.949 -0.049 1
1 778 . 19 1 1 A 69 69 ARG HA H 69 4.089 4.004 0.085 1
1 785 . 19 1 1 A 69 69 ARG C C 69 177.985 179.517 -1.532 1
1 786 . 19 1 1 A 69 69 ARG CA C 69 58.551 59.403 -0.852 1
1 787 . 19 1 1 A 69 69 ARG CB C 69 30.430 30.365 0.065 1
1 790 . 19 1 1 A 69 69 ARG N N 69 119.387 119.307 0.080 1
1 791 . 19 1 1 A 70 70 ASN H H 70 8.088 8.484 -0.396 1
1 792 . 19 1 1 A 70 70 ASN HA H 70 4.633 4.456 0.177 1
1 797 . 19 1 1 A 70 70 ASN C C 70 176.194 177.670 -1.476 1
1 798 . 19 1 1 A 70 70 ASN CA C 70 54.463 56.569 -2.106 1
1 799 . 19 1 1 A 70 70 ASN CB C 70 38.805 39.688 -0.883 1
1 800 . 19 1 1 A 70 70 ASN N N 70 117.289 118.017 -0.728 1
1 802 . 19 1 1 A 71 71 GLN H H 71 8.017 7.639 0.378 1
1 803 . 19 1 1 A 71 71 GLN HA H 71 4.263 4.032 0.231 1
1 810 . 19 1 1 A 71 71 GLN C C 71 176.750 179.180 -2.430 1
1 811 . 19 1 1 A 71 71 GLN CA C 71 57.031 58.841 -1.810 1
1 812 . 19 1 1 A 71 71 GLN CB C 71 29.122 28.195 0.927 1
1 814 . 19 1 1 A 71 71 GLN N N 71 119.838 117.923 1.915 1
1 816 . 19 1 1 A 72 72 ARG H H 72 8.125 8.162 -0.037 1
1 817 . 19 1 1 A 72 72 ARG HA H 72 4.312 4.014 0.298 1
1 823 . 19 1 1 A 72 72 ARG C C 72 176.729 177.663 -0.934 1
1 824 . 19 1 1 A 72 72 ARG CA C 72 56.840 59.017 -2.177 1
1 825 . 19 1 1 A 72 72 ARG CB C 72 30.500 29.673 0.827 1
1 828 . 19 1 1 A 72 72 ARG N N 72 120.534 119.967 0.567 1
1 829 . 19 1 1 A 73 73 ARG H H 73 8.148 7.722 0.426 1
1 830 . 19 1 1 A 73 73 ARG HA H 73 4.412 3.852 0.560 1
1 836 . 19 1 1 A 73 73 ARG C C 73 176.552 177.043 -0.491 1
1 837 . 19 1 1 A 73 73 ARG CA C 73 56.445 57.605 -1.160 1
1 838 . 19 1 1 A 73 73 ARG CB C 73 30.676 30.055 0.621 1
1 841 . 19 1 1 A 73 73 ARG N N 73 121.356 119.909 1.447 1
1 842 . 19 1 1 A 74 74 GLN HA H 74 4.334 3.802 0.532 1
1 846 . 19 1 1 A 74 74 GLN CA C 74 56.127 56.961 -0.834 1
1 847 . 19 1 1 A 74 74 GLN CB C 74 29.362 27.207 2.155 1
1 849 . 19 1 1 A 76 76 GLY HA2 H 76 4.168 4.043 0.125 1
1 850 . 19 1 1 A 76 76 GLY HA3 H 76 4.168 4.044 0.124 1
1 851 . 19 1 1 A 76 76 GLY CA C 76 44.736 44.460 0.276 1
1 852 . 19 1 1 A 77 77 PRO HA H 77 4.502 4.378 0.124 1
1 859 . 19 1 1 A 77 77 PRO CA C 77 63.330 64.760 -1.430 1
1 860 . 19 1 1 A 77 77 PRO CB C 77 32.217 31.982 0.235 1
1 863 . 19 1 1 A 79 79 SER HA H 79 4.524 5.262 -0.738 1
1 865 . 19 1 1 A 79 79 SER C C 79 173.931 173.562 0.369 1
1 866 . 19 1 1 A 79 79 SER CA C 79 58.409 57.224 1.185 1
1 867 . 19 1 1 A 79 79 SER CB C 79 64.147 65.117 -0.970 1
1 1 . 20 1 1 A 8 8 GLN H H 8 8.925 8.399 0.526 1
1 2 . 20 1 1 A 8 8 GLN HA H 8 4.398 4.918 -0.520 1
1 8 . 20 1 1 A 8 8 GLN CA C 8 56.051 54.697 1.354 1
1 9 . 20 1 1 A 8 8 GLN CB C 8 29.491 30.187 -0.696 1
1 12 . 20 1 1 A 12 12 THR HA H 12 4.352 4.542 -0.190 1
1 17 . 20 1 1 A 12 12 THR CA C 12 61.819 61.550 0.269 1
1 18 . 20 1 1 A 12 12 THR CB C 12 69.783 68.881 0.902 1
1 20 . 20 1 1 A 13 13 SER HA H 13 4.465 3.944 0.521 1
1 23 . 20 1 1 A 13 13 SER C C 13 173.828 175.624 -1.796 1
1 24 . 20 1 1 A 13 13 SER CA C 13 57.973 62.500 -4.527 1
1 25 . 20 1 1 A 13 13 SER CB C 13 64.246 62.974 1.272 1
1 26 . 20 1 1 A 14 14 PHE H H 14 8.322 7.882 0.440 1
1 27 . 20 1 1 A 14 14 PHE HA H 14 5.035 4.597 0.438 1
1 35 . 20 1 1 A 14 14 PHE C C 14 176.750 175.236 1.514 1
1 36 . 20 1 1 A 14 14 PHE CA C 14 56.624 58.605 -1.981 1
1 37 . 20 1 1 A 14 14 PHE CB C 14 41.174 39.590 1.584 1
1 43 . 20 1 1 A 14 14 PHE N N 14 121.036 119.300 1.736 1
1 44 . 20 1 1 A 15 15 THR H H 15 8.944 8.275 0.669 1
1 45 . 20 1 1 A 15 15 THR HA H 15 4.529 5.013 -0.484 1
1 50 . 20 1 1 A 15 15 THR C C 15 175.433 175.486 -0.053 1
1 51 . 20 1 1 A 15 15 THR CA C 15 60.644 59.360 1.284 1
1 52 . 20 1 1 A 15 15 THR CB C 15 70.784 71.933 -1.149 1
1 54 . 20 1 1 A 15 15 THR N N 15 113.618 111.827 1.791 1
1 55 . 20 1 1 A 16 16 GLN H H 16 9.086 8.997 0.089 1
1 56 . 20 1 1 A 16 16 GLN HA H 16 4.016 4.009 0.007 1
1 63 . 20 1 1 A 16 16 GLN C C 16 178.149 177.568 0.581 1
1 64 . 20 1 1 A 16 16 GLN CA C 16 59.283 59.287 -0.004 1
1 65 . 20 1 1 A 16 16 GLN CB C 16 27.943 28.273 -0.330 1
1 67 . 20 1 1 A 16 16 GLN N N 16 121.415 121.348 0.067 1
1 69 . 20 1 1 A 17 17 GLU H H 17 8.837 8.271 0.566 1
1 70 . 20 1 1 A 17 17 GLU HA H 17 4.048 4.492 -0.444 1
1 75 . 20 1 1 A 17 17 GLU C C 17 180.248 178.130 2.118 1
1 76 . 20 1 1 A 17 17 GLU CA C 17 60.156 59.264 0.892 1
1 77 . 20 1 1 A 17 17 GLU CB C 17 29.125 29.235 -0.110 1
1 79 . 20 1 1 A 17 17 GLU N N 17 117.930 119.067 -1.137 1
1 80 . 20 1 1 A 18 18 GLN H H 18 7.738 8.290 -0.552 1
1 81 . 20 1 1 A 18 18 GLN HA H 18 3.809 4.273 -0.464 1
1 88 . 20 1 1 A 18 18 GLN C C 18 177.079 178.182 -1.103 1
1 89 . 20 1 1 A 18 18 GLN CA C 18 59.358 57.492 1.866 1
1 90 . 20 1 1 A 18 18 GLN CB C 18 27.338 29.316 -1.978 1
1 92 . 20 1 1 A 18 18 GLN N N 18 119.421 117.833 1.588 1
1 94 . 20 1 1 A 19 19 ILE H H 19 8.265 8.428 -0.163 1
1 95 . 20 1 1 A 19 19 ILE HA H 19 3.240 3.446 -0.206 1
1 105 . 20 1 1 A 19 19 ILE C C 19 177.409 177.908 -0.499 1
1 106 . 20 1 1 A 19 19 ILE CA C 19 64.693 65.139 -0.446 1
1 107 . 20 1 1 A 19 19 ILE CB C 19 37.544 37.330 0.214 1
1 111 . 20 1 1 A 19 19 ILE N N 19 118.326 121.562 -3.236 1
1 112 . 20 1 1 A 20 20 GLU H H 20 8.304 8.502 -0.198 1
1 113 . 20 1 1 A 20 20 GLU HA H 20 3.916 4.023 -0.107 1
1 118 . 20 1 1 A 20 20 GLU C C 20 179.281 178.333 0.948 1
1 119 . 20 1 1 A 20 20 GLU CA C 20 59.674 59.142 0.532 1
1 120 . 20 1 1 A 20 20 GLU CB C 20 29.369 29.177 0.192 1
1 122 . 20 1 1 A 20 20 GLU N N 20 117.948 120.298 -2.350 1
1 123 . 20 1 1 A 21 21 ALA H H 21 7.335 7.813 -0.478 1
1 124 . 20 1 1 A 21 21 ALA HA H 21 4.095 4.084 0.011 1
1 128 . 20 1 1 A 21 21 ALA C C 21 180.825 180.107 0.718 1
1 129 . 20 1 1 A 21 21 ALA CA C 21 54.885 54.256 0.629 1
1 130 . 20 1 1 A 21 21 ALA CB C 21 19.190 18.491 0.699 1
1 131 . 20 1 1 A 21 21 ALA N N 21 120.460 122.192 -1.732 1
1 132 . 20 1 1 A 22 22 LEU H H 22 8.100 8.119 -0.019 1
1 133 . 20 1 1 A 22 22 LEU HA H 22 3.490 3.741 -0.251 1
1 143 . 20 1 1 A 22 22 LEU C C 22 177.861 179.044 -1.183 1
1 144 . 20 1 1 A 22 22 LEU CA C 22 58.530 57.151 1.379 1
1 145 . 20 1 1 A 22 22 LEU CB C 22 37.691 40.215 -2.524 1
1 149 . 20 1 1 A 22 22 LEU N N 22 122.412 119.932 2.480 1
1 150 . 20 1 1 A 23 23 GLU H H 23 8.534 7.973 0.561 1
1 151 . 20 1 1 A 23 23 GLU HA H 23 4.360 4.254 0.106 1
1 156 . 20 1 1 A 23 23 GLU C C 23 180.413 179.238 1.175 1
1 157 . 20 1 1 A 23 23 GLU CA C 23 59.072 59.490 -0.418 1
1 158 . 20 1 1 A 23 23 GLU CB C 23 28.905 29.920 -1.015 1
1 160 . 20 1 1 A 23 23 GLU N N 23 118.309 120.004 -1.695 1
1 161 . 20 1 1 A 24 24 LYS H H 24 7.898 7.834 0.064 1
1 162 . 20 1 1 A 24 24 LYS HA H 24 4.170 3.994 0.176 1
1 170 . 20 1 1 A 24 24 LYS C C 24 179.672 179.009 0.663 1
1 171 . 20 1 1 A 24 24 LYS CA C 24 59.144 59.466 -0.322 1
1 172 . 20 1 1 A 24 24 LYS CB C 24 32.082 32.325 -0.243 1
1 176 . 20 1 1 A 24 24 LYS N N 24 119.449 121.216 -1.767 1
1 177 . 20 1 1 A 25 25 GLU H H 25 7.887 7.761 0.126 1
1 178 . 20 1 1 A 25 25 GLU HA H 25 4.596 4.166 0.430 1
1 183 . 20 1 1 A 25 25 GLU C C 25 177.923 179.252 -1.329 1
1 184 . 20 1 1 A 25 25 GLU CA C 25 58.799 59.150 -0.351 1
1 185 . 20 1 1 A 25 25 GLU CB C 25 28.787 29.329 -0.542 1
1 187 . 20 1 1 A 25 25 GLU N N 25 121.941 119.235 2.706 1
1 188 . 20 1 1 A 26 26 PHE H H 26 8.843 8.365 0.478 1
1 189 . 20 1 1 A 26 26 PHE HA H 26 4.865 4.601 0.264 1
1 197 . 20 1 1 A 26 26 PHE C C 26 176.380 177.944 -1.564 1
1 198 . 20 1 1 A 26 26 PHE CA C 26 60.798 61.205 -0.407 1
1 199 . 20 1 1 A 26 26 PHE CB C 26 38.969 38.909 0.060 1
1 205 . 20 1 1 A 26 26 PHE N N 26 121.919 120.887 1.032 1
1 206 . 20 1 1 A 27 27 GLU H H 27 7.839 8.844 -1.005 1
1 207 . 20 1 1 A 27 27 GLU HA H 27 3.952 4.075 -0.123 1
1 212 . 20 1 1 A 27 27 GLU C C 27 178.335 178.616 -0.281 1
1 213 . 20 1 1 A 27 27 GLU CA C 27 58.650 60.512 -1.862 1
1 214 . 20 1 1 A 27 27 GLU CB C 27 29.772 29.226 0.546 1
1 216 . 20 1 1 A 27 27 GLU N N 27 115.144 117.724 -2.580 1
1 217 . 20 1 1 A 28 28 ARG H H 28 7.573 7.341 0.232 1
1 218 . 20 1 1 A 28 28 ARG HA H 28 4.109 4.221 -0.112 1
1 225 . 20 1 1 A 28 28 ARG C C 28 177.059 175.772 1.287 1
1 226 . 20 1 1 A 28 28 ARG CA C 28 58.740 57.840 0.900 1
1 227 . 20 1 1 A 28 28 ARG CB C 28 30.995 31.771 -0.776 1
1 230 . 20 1 1 A 28 28 ARG N N 28 120.497 119.148 1.349 1
1 231 . 20 1 1 A 29 29 THR H H 29 8.786 7.680 1.106 1
1 232 . 20 1 1 A 29 29 THR HA H 29 4.291 4.519 -0.228 1
1 237 . 20 1 1 A 29 29 THR C C 29 170.391 173.433 -3.042 1
1 238 . 20 1 1 A 29 29 THR CA C 29 59.674 60.417 -0.743 1
1 239 . 20 1 1 A 29 29 THR CB C 29 68.880 71.579 -2.699 1
1 241 . 20 1 1 A 29 29 THR N N 29 114.915 111.769 3.146 1
1 242 . 20 1 1 A 30 30 HIS H H 30 8.292 8.399 -0.107 1
1 243 . 20 1 1 A 30 30 HIS HA H 30 4.420 3.340 1.080 1
1 248 . 20 1 1 A 30 30 HIS C C 30 174.569 174.309 0.260 1
1 249 . 20 1 1 A 30 30 HIS CA C 30 54.798 56.784 -1.986 1
1 250 . 20 1 1 A 30 30 HIS CB C 30 30.629 28.931 1.698 1
1 253 . 20 1 1 A 30 30 HIS N N 30 122.126 125.037 -2.911 1
1 254 . 20 1 1 A 31 31 TYR H H 31 8.179 7.266 0.913 1
1 255 . 20 1 1 A 31 31 TYR HA H 31 4.731 4.854 -0.123 1
1 262 . 20 1 1 A 31 31 TYR C C 31 172.551 172.875 -0.324 1
1 263 . 20 1 1 A 31 31 TYR CA C 31 55.259 54.975 0.284 1
1 264 . 20 1 1 A 31 31 TYR CB C 31 39.362 38.327 1.035 1
1 269 . 20 1 1 A 31 31 TYR N N 31 115.063 117.410 -2.347 1
1 270 . 20 1 1 A 32 32 PRO HA H 32 4.256 4.574 -0.318 1
1 277 . 20 1 1 A 32 32 PRO C C 32 177.388 176.987 0.401 1
1 278 . 20 1 1 A 32 32 PRO CA C 32 62.903 62.401 0.502 1
1 279 . 20 1 1 A 32 32 PRO CB C 32 30.896 31.422 -0.526 1
1 282 . 20 1 1 A 33 33 ASP H H 33 8.457 8.599 -0.142 1
1 283 . 20 1 1 A 33 33 ASP HA H 33 4.495 4.659 -0.164 1
1 286 . 20 1 1 A 33 33 ASP C C 33 175.824 177.534 -1.710 1
1 287 . 20 1 1 A 33 33 ASP CA C 33 52.776 54.187 -1.411 1
1 288 . 20 1 1 A 33 33 ASP CB C 33 41.174 42.233 -1.059 1
1 289 . 20 1 1 A 33 33 ASP N N 33 124.636 122.386 2.250 1
1 290 . 20 1 1 A 34 34 VAL H H 34 8.331 8.577 -0.246 1
1 291 . 20 1 1 A 34 34 VAL HA H 34 3.488 3.804 -0.316 1
1 299 . 20 1 1 A 34 34 VAL C C 34 176.133 177.400 -1.267 1
1 300 . 20 1 1 A 34 34 VAL CA C 34 66.176 65.245 0.931 1
1 301 . 20 1 1 A 34 34 VAL CB C 34 31.401 31.470 -0.069 1
1 304 . 20 1 1 A 34 34 VAL N N 34 117.908 122.940 -5.032 1
1 305 . 20 1 1 A 35 35 PHE H H 35 7.127 7.862 -0.735 1
1 306 . 20 1 1 A 35 35 PHE HA H 35 4.339 4.187 0.152 1
1 314 . 20 1 1 A 35 35 PHE C C 35 178.808 177.637 1.171 1
1 315 . 20 1 1 A 35 35 PHE CA C 35 60.335 61.505 -1.170 1
1 316 . 20 1 1 A 35 35 PHE CB C 35 37.927 37.962 -0.035 1
1 322 . 20 1 1 A 35 35 PHE N N 35 120.263 120.396 -0.133 1
1 323 . 20 1 1 A 36 36 ALA H H 36 8.428 7.765 0.663 1
1 324 . 20 1 1 A 36 36 ALA HA H 36 4.094 4.305 -0.211 1
1 328 . 20 1 1 A 36 36 ALA C C 36 181.812 179.189 2.623 1
1 329 . 20 1 1 A 36 36 ALA CA C 36 55.062 54.751 0.311 1
1 330 . 20 1 1 A 36 36 ALA CB C 36 18.484 19.416 -0.932 1
1 331 . 20 1 1 A 36 36 ALA N N 36 123.569 121.910 1.659 1
1 332 . 20 1 1 A 37 37 ARG H H 37 8.695 8.243 0.452 1
1 333 . 20 1 1 A 37 37 ARG HA H 37 3.920 4.058 -0.138 1
1 341 . 20 1 1 A 37 37 ARG C C 37 178.232 178.887 -0.655 1
1 342 . 20 1 1 A 37 37 ARG CA C 37 61.034 59.857 1.177 1
1 343 . 20 1 1 A 37 37 ARG CB C 37 31.263 29.795 1.468 1
1 346 . 20 1 1 A 37 37 ARG N N 37 117.907 117.850 0.057 1
1 348 . 20 1 1 A 38 38 GLU H H 38 8.531 8.522 0.009 1
1 349 . 20 1 1 A 38 38 GLU HA H 38 4.051 4.079 -0.028 1
1 354 . 20 1 1 A 38 38 GLU C C 38 179.940 179.269 0.671 1
1 355 . 20 1 1 A 38 38 GLU CA C 38 59.765 59.240 0.525 1
1 356 . 20 1 1 A 38 38 GLU CB C 38 29.456 29.070 0.386 1
1 358 . 20 1 1 A 38 38 GLU N N 38 119.688 119.580 0.108 1
1 359 . 20 1 1 A 39 39 ARG H H 39 8.096 8.019 0.077 1
1 360 . 20 1 1 A 39 39 ARG HA H 39 4.130 4.121 0.009 1
1 366 . 20 1 1 A 39 39 ARG C C 39 179.425 179.011 0.414 1
1 367 . 20 1 1 A 39 39 ARG CA C 39 59.368 58.791 0.577 1
1 368 . 20 1 1 A 39 39 ARG CB C 39 30.300 29.686 0.614 1
1 371 . 20 1 1 A 39 39 ARG N N 39 120.527 120.076 0.451 1
1 372 . 20 1 1 A 40 40 LEU H H 40 7.933 8.312 -0.379 1
1 373 . 20 1 1 A 40 40 LEU HA H 40 4.121 4.088 0.033 1
1 383 . 20 1 1 A 40 40 LEU C C 40 177.861 178.283 -0.422 1
1 384 . 20 1 1 A 40 40 LEU CA C 40 57.807 57.506 0.301 1
1 385 . 20 1 1 A 40 40 LEU CB C 40 42.446 41.466 0.980 1
1 389 . 20 1 1 A 40 40 LEU N N 40 121.371 121.446 -0.075 1
1 390 . 20 1 1 A 41 41 ALA H H 41 8.537 8.465 0.072 1
1 391 . 20 1 1 A 41 41 ALA HA H 41 4.102 3.986 0.116 1
1 395 . 20 1 1 A 41 41 ALA C C 41 180.372 179.281 1.091 1
1 396 . 20 1 1 A 41 41 ALA CA C 41 56.060 55.374 0.686 1
1 397 . 20 1 1 A 41 41 ALA CB C 41 18.892 18.218 0.674 1
1 398 . 20 1 1 A 41 41 ALA N N 41 121.892 120.521 1.371 1
1 399 . 20 1 1 A 42 42 ALA H H 42 7.400 7.763 -0.363 1
1 400 . 20 1 1 A 42 42 ALA HA H 42 4.242 4.210 0.032 1
1 404 . 20 1 1 A 42 42 ALA C C 42 179.631 180.163 -0.532 1
1 405 . 20 1 1 A 42 42 ALA CA C 42 53.951 53.494 0.457 1
1 406 . 20 1 1 A 42 42 ALA CB C 42 18.484 19.070 -0.586 1
1 407 . 20 1 1 A 42 42 ALA N N 42 116.807 119.393 -2.586 1
1 408 . 20 1 1 A 43 43 LYS H H 43 7.781 8.228 -0.447 1
1 409 . 20 1 1 A 43 43 LYS HA H 43 4.229 4.083 0.146 1
1 417 . 20 1 1 A 43 43 LYS C C 43 178.746 177.945 0.801 1
1 418 . 20 1 1 A 43 43 LYS CA C 43 58.710 58.525 0.185 1
1 419 . 20 1 1 A 43 43 LYS CB C 43 33.610 32.496 1.114 1
1 423 . 20 1 1 A 43 43 LYS N N 43 118.433 118.536 -0.103 1
1 424 . 20 1 1 A 44 44 ILE H H 44 8.094 7.340 0.754 1
1 425 . 20 1 1 A 44 44 ILE HA H 44 4.655 4.401 0.254 1
1 435 . 20 1 1 A 44 44 ILE C C 44 175.042 175.383 -0.341 1
1 436 . 20 1 1 A 44 44 ILE CA C 44 60.606 60.011 0.595 1
1 437 . 20 1 1 A 44 44 ILE CB C 44 38.341 38.363 -0.022 1
1 441 . 20 1 1 A 44 44 ILE N N 44 108.112 111.574 -3.462 1
1 442 . 20 1 1 A 45 45 ASP H H 45 7.811 8.182 -0.371 1
1 443 . 20 1 1 A 45 45 ASP HA H 45 4.333 4.233 0.100 1
1 446 . 20 1 1 A 45 45 ASP C C 45 173.848 174.545 -0.697 1
1 447 . 20 1 1 A 45 45 ASP CA C 45 55.065 55.035 0.030 1
1 448 . 20 1 1 A 45 45 ASP CB C 45 39.031 39.636 -0.605 1
1 449 . 20 1 1 A 45 45 ASP N N 45 121.798 121.925 -0.127 1
1 450 . 20 1 1 A 46 46 LEU H H 46 7.550 7.931 -0.381 1
1 451 . 20 1 1 A 46 46 LEU HA H 46 4.990 4.842 0.148 1
1 461 . 20 1 1 A 46 46 LEU C C 46 173.536 174.399 -0.863 1
1 462 . 20 1 1 A 46 46 LEU CA C 46 51.364 51.277 0.087 1
1 463 . 20 1 1 A 46 46 LEU CB C 46 47.443 44.615 2.828 1
1 467 . 20 1 1 A 46 46 LEU N N 46 118.454 119.082 -0.628 1
1 468 . 20 1 1 A 47 47 PRO HA H 47 4.548 4.685 -0.137 1
1 475 . 20 1 1 A 47 47 PRO C C 47 178.417 177.891 0.526 1
1 476 . 20 1 1 A 47 47 PRO CA C 47 62.268 62.830 -0.562 1
1 477 . 20 1 1 A 47 47 PRO CB C 47 32.600 32.110 0.490 1
1 480 . 20 1 1 A 48 48 GLU H H 48 9.253 9.067 0.186 1
1 481 . 20 1 1 A 48 48 GLU HA H 48 3.799 4.032 -0.233 1
1 486 . 20 1 1 A 48 48 GLU C C 48 178.273 178.354 -0.081 1
1 487 . 20 1 1 A 48 48 GLU CA C 48 61.083 59.429 1.654 1
1 488 . 20 1 1 A 48 48 GLU CB C 48 28.815 29.383 -0.568 1
1 490 . 20 1 1 A 48 48 GLU N N 48 126.081 124.602 1.479 1
1 491 . 20 1 1 A 49 49 ALA H H 49 8.923 8.162 0.761 1
1 492 . 20 1 1 A 49 49 ALA HA H 49 4.128 4.145 -0.017 1
1 496 . 20 1 1 A 49 49 ALA C C 49 181.277 179.472 1.805 1
1 497 . 20 1 1 A 49 49 ALA CA C 49 55.569 55.055 0.514 1
1 498 . 20 1 1 A 49 49 ALA CB C 49 18.681 18.380 0.301 1
1 499 . 20 1 1 A 49 49 ALA N N 49 119.313 122.323 -3.010 1
1 500 . 20 1 1 A 50 50 ARG H H 50 7.417 8.185 -0.768 1
1 501 . 20 1 1 A 50 50 ARG HA H 50 4.348 4.185 0.163 1
1 508 . 20 1 1 A 50 50 ARG C C 50 179.425 178.589 0.836 1
1 509 . 20 1 1 A 50 50 ARG CA C 50 57.978 59.622 -1.644 1
1 510 . 20 1 1 A 50 50 ARG CB C 50 29.723 30.271 -0.548 1
1 513 . 20 1 1 A 50 50 ARG N N 50 114.567 117.864 -3.297 1
1 514 . 20 1 1 A 51 51 ILE H H 51 7.785 7.932 -0.147 1
1 515 . 20 1 1 A 51 51 ILE HA H 51 3.816 3.872 -0.056 1
1 525 . 20 1 1 A 51 51 ILE C C 51 178.088 177.993 0.095 1
1 526 . 20 1 1 A 51 51 ILE CA C 51 65.848 65.203 0.645 1
1 527 . 20 1 1 A 51 51 ILE CB C 51 37.785 37.821 -0.036 1
1 531 . 20 1 1 A 51 51 ILE N N 51 121.669 121.040 0.629 1
1 532 . 20 1 1 A 52 52 GLN H H 52 8.478 8.332 0.146 1
1 533 . 20 1 1 A 52 52 GLN HA H 52 4.423 4.005 0.418 1
1 539 . 20 1 1 A 52 52 GLN C C 52 179.364 178.891 0.473 1
1 540 . 20 1 1 A 52 52 GLN CA C 52 60.232 58.822 1.410 1
1 541 . 20 1 1 A 52 52 GLN CB C 52 28.945 28.354 0.591 1
1 543 . 20 1 1 A 52 52 GLN N N 52 118.943 118.129 0.814 1
1 545 . 20 1 1 A 53 53 VAL H H 53 7.582 8.088 -0.506 1
1 546 . 20 1 1 A 53 53 VAL HA H 53 3.842 3.686 0.156 1
1 554 . 20 1 1 A 53 53 VAL C C 53 177.800 178.285 -0.485 1
1 555 . 20 1 1 A 53 53 VAL CA C 53 66.633 66.720 -0.087 1
1 556 . 20 1 1 A 53 53 VAL CB C 53 32.241 31.865 0.376 1
1 559 . 20 1 1 A 53 53 VAL N N 53 120.375 120.396 -0.021 1
1 560 . 20 1 1 A 54 54 TRP H H 54 8.390 8.471 -0.081 1
1 561 . 20 1 1 A 54 54 TRP HA H 54 4.050 4.075 -0.025 1
1 570 . 20 1 1 A 54 54 TRP C C 54 180.084 178.280 1.804 1
1 571 . 20 1 1 A 54 54 TRP CA C 54 63.229 61.200 2.029 1
1 572 . 20 1 1 A 54 54 TRP CB C 54 28.726 29.428 -0.702 1
1 578 . 20 1 1 A 54 54 TRP N N 54 121.414 121.396 0.018 1
1 580 . 20 1 1 A 55 55 PHE H H 55 9.127 8.559 0.568 1
1 581 . 20 1 1 A 55 55 PHE HA H 55 3.771 4.396 -0.625 1
1 589 . 20 1 1 A 55 55 PHE C C 55 178.170 178.198 -0.028 1
1 590 . 20 1 1 A 55 55 PHE CA C 55 63.826 62.044 1.782 1
1 591 . 20 1 1 A 55 55 PHE CB C 55 39.195 38.129 1.066 1
1 597 . 20 1 1 A 55 55 PHE N N 55 118.358 117.813 0.545 1
1 598 . 20 1 1 A 56 56 SER H H 56 8.267 8.505 -0.238 1
1 599 . 20 1 1 A 56 56 SER HA H 56 4.148 4.104 0.044 1
1 602 . 20 1 1 A 56 56 SER C C 56 178.376 177.290 1.086 1
1 603 . 20 1 1 A 56 56 SER CA C 56 62.578 61.859 0.719 1
1 604 . 20 1 1 A 56 56 SER CB C 56 62.412 63.139 -0.727 1
1 605 . 20 1 1 A 56 56 SER N N 56 115.049 115.222 -0.173 1
1 606 . 20 1 1 A 57 57 ASN H H 57 8.231 8.317 -0.086 1
1 607 . 20 1 1 A 57 57 ASN HA H 57 4.411 4.444 -0.033 1
1 612 . 20 1 1 A 57 57 ASN C C 57 177.573 178.215 -0.642 1
1 613 . 20 1 1 A 57 57 ASN CA C 57 55.698 56.314 -0.616 1
1 614 . 20 1 1 A 57 57 ASN CB C 57 37.827 37.488 0.339 1
1 615 . 20 1 1 A 57 57 ASN N N 57 120.846 119.989 0.857 1
1 617 . 20 1 1 A 58 58 ARG H H 58 8.531 7.568 0.963 1
1 618 . 20 1 1 A 58 58 ARG HA H 58 3.533 3.573 -0.040 1
1 626 . 20 1 1 A 58 58 ARG C C 58 179.919 178.992 0.927 1
1 627 . 20 1 1 A 58 58 ARG CA C 58 56.451 59.604 -3.153 1
1 628 . 20 1 1 A 58 58 ARG CB C 58 27.981 29.503 -1.522 1
1 631 . 20 1 1 A 58 58 ARG N N 58 124.704 119.643 5.061 1
1 633 . 20 1 1 A 59 59 ARG H H 59 8.496 8.191 0.305 1
1 634 . 20 1 1 A 59 59 ARG HA H 59 4.072 4.218 -0.146 1
1 641 . 20 1 1 A 59 59 ARG C C 59 178.520 179.132 -0.612 1
1 642 . 20 1 1 A 59 59 ARG CA C 59 60.970 59.599 1.371 1
1 643 . 20 1 1 A 59 59 ARG CB C 59 31.601 29.980 1.621 1
1 646 . 20 1 1 A 59 59 ARG N N 59 120.108 119.795 0.313 1
1 647 . 20 1 1 A 60 60 ALA H H 60 7.487 7.924 -0.437 1
1 648 . 20 1 1 A 60 60 ALA HA H 60 4.197 4.113 0.084 1
1 652 . 20 1 1 A 60 60 ALA C C 60 180.475 179.402 1.073 1
1 653 . 20 1 1 A 60 60 ALA CA C 60 55.547 55.062 0.485 1
1 654 . 20 1 1 A 60 60 ALA CB C 60 17.635 18.305 -0.670 1
1 655 . 20 1 1 A 60 60 ALA N N 60 121.949 122.045 -0.096 1
1 656 . 20 1 1 A 61 61 LYS H H 61 7.733 7.950 -0.217 1
1 657 . 20 1 1 A 61 61 LYS HA H 61 3.927 4.018 -0.091 1
1 666 . 20 1 1 A 61 61 LYS C C 61 177.656 179.066 -1.410 1
1 667 . 20 1 1 A 61 61 LYS CA C 61 59.590 58.846 0.744 1
1 668 . 20 1 1 A 61 61 LYS CB C 61 32.903 31.807 1.096 1
1 672 . 20 1 1 A 61 61 LYS N N 61 120.311 118.397 1.914 1
1 673 . 20 1 1 A 62 62 TRP H H 62 8.235 8.482 -0.247 1
1 674 . 20 1 1 A 62 62 TRP HA H 62 4.475 4.209 0.266 1
1 683 . 20 1 1 A 62 62 TRP C C 62 178.088 178.623 -0.535 1
1 684 . 20 1 1 A 62 62 TRP CA C 62 61.043 60.300 0.743 1
1 685 . 20 1 1 A 62 62 TRP CB C 62 29.113 29.540 -0.427 1
1 691 . 20 1 1 A 62 62 TRP N N 62 120.161 121.889 -1.728 1
1 693 . 20 1 1 A 63 63 ARG H H 63 8.579 8.702 -0.123 1
1 694 . 20 1 1 A 63 63 ARG HA H 63 3.762 3.908 -0.146 1
1 701 . 20 1 1 A 63 63 ARG C C 63 179.220 178.460 0.760 1
1 702 . 20 1 1 A 63 63 ARG CA C 63 59.644 59.027 0.617 1
1 703 . 20 1 1 A 63 63 ARG CB C 63 30.498 29.901 0.597 1
1 706 . 20 1 1 A 63 63 ARG N N 63 117.951 118.601 -0.650 1
1 707 . 20 1 1 A 64 64 ARG H H 64 7.754 7.807 -0.053 1
1 708 . 20 1 1 A 64 64 ARG HA H 64 4.075 4.062 0.013 1
1 715 . 20 1 1 A 64 64 ARG C C 64 178.643 178.414 0.229 1
1 716 . 20 1 1 A 64 64 ARG CA C 64 59.313 58.793 0.520 1
1 717 . 20 1 1 A 64 64 ARG CB C 64 30.254 30.096 0.158 1
1 720 . 20 1 1 A 64 64 ARG N N 64 119.265 118.674 0.591 1
1 721 . 20 1 1 A 65 65 GLU H H 65 8.134 8.308 -0.174 1
1 722 . 20 1 1 A 65 65 GLU HA H 65 3.988 4.075 -0.087 1
1 727 . 20 1 1 A 65 65 GLU C C 65 178.890 178.687 0.203 1
1 728 . 20 1 1 A 65 65 GLU CA C 65 58.891 59.062 -0.171 1
1 729 . 20 1 1 A 65 65 GLU CB C 65 29.228 29.496 -0.268 1
1 731 . 20 1 1 A 65 65 GLU N N 65 119.336 119.296 0.040 1
1 732 . 20 1 1 A 66 66 GLU H H 66 8.212 7.842 0.370 1
1 733 . 20 1 1 A 66 66 GLU HA H 66 3.804 3.750 0.054 1
1 738 . 20 1 1 A 66 66 GLU C C 66 178.273 178.505 -0.232 1
1 739 . 20 1 1 A 66 66 GLU CA C 66 58.714 59.075 -0.361 1
1 740 . 20 1 1 A 66 66 GLU CB C 66 29.493 28.851 0.642 1
1 742 . 20 1 1 A 66 66 GLU N N 66 121.135 120.125 1.010 1
1 743 . 20 1 1 A 67 67 LYS H H 67 7.663 7.811 -0.148 1
1 744 . 20 1 1 A 67 67 LYS HA H 67 4.044 3.994 0.050 1
1 752 . 20 1 1 A 67 67 LYS C C 67 178.787 179.195 -0.408 1
1 753 . 20 1 1 A 67 67 LYS CA C 67 58.801 59.123 -0.322 1
1 754 . 20 1 1 A 67 67 LYS CB C 67 32.239 32.505 -0.266 1
1 758 . 20 1 1 A 67 67 LYS N N 67 119.200 119.269 -0.069 1
1 759 . 20 1 1 A 68 68 LEU H H 68 7.631 8.207 -0.576 1
1 760 . 20 1 1 A 68 68 LEU HA H 68 4.155 3.914 0.241 1
1 770 . 20 1 1 A 68 68 LEU C C 68 179.055 179.092 -0.037 1
1 771 . 20 1 1 A 68 68 LEU CA C 68 56.903 57.989 -1.086 1
1 772 . 20 1 1 A 68 68 LEU CB C 68 41.850 41.321 0.529 1
1 776 . 20 1 1 A 68 68 LEU N N 68 118.976 120.010 -1.034 1
1 777 . 20 1 1 A 69 69 ARG H H 69 7.900 8.320 -0.420 1
1 778 . 20 1 1 A 69 69 ARG HA H 69 4.089 3.908 0.181 1
1 785 . 20 1 1 A 69 69 ARG C C 69 177.985 178.279 -0.294 1
1 786 . 20 1 1 A 69 69 ARG CA C 69 58.551 59.321 -0.770 1
1 787 . 20 1 1 A 69 69 ARG CB C 69 30.430 29.863 0.567 1
1 790 . 20 1 1 A 69 69 ARG N N 69 119.387 121.422 -2.035 1
1 791 . 20 1 1 A 70 70 ASN H H 70 8.088 7.838 0.250 1
1 792 . 20 1 1 A 70 70 ASN HA H 70 4.633 4.577 0.056 1
1 797 . 20 1 1 A 70 70 ASN C C 70 176.194 176.519 -0.325 1
1 798 . 20 1 1 A 70 70 ASN CA C 70 54.463 54.760 -0.297 1
1 799 . 20 1 1 A 70 70 ASN CB C 70 38.805 38.276 0.529 1
1 800 . 20 1 1 A 70 70 ASN N N 70 117.289 118.070 -0.781 1
1 802 . 20 1 1 A 71 71 GLN H H 71 8.017 7.765 0.252 1
1 803 . 20 1 1 A 71 71 GLN HA H 71 4.263 4.126 0.137 1
1 810 . 20 1 1 A 71 71 GLN C C 71 176.750 177.310 -0.560 1
1 811 . 20 1 1 A 71 71 GLN CA C 71 57.031 56.992 0.039 1
1 812 . 20 1 1 A 71 71 GLN CB C 71 29.122 28.668 0.454 1
1 814 . 20 1 1 A 71 71 GLN N N 71 119.838 116.727 3.111 1
1 816 . 20 1 1 A 72 72 ARG H H 72 8.125 7.327 0.798 1
1 817 . 20 1 1 A 72 72 ARG HA H 72 4.312 4.412 -0.100 1
1 823 . 20 1 1 A 72 72 ARG C C 72 176.729 174.908 1.821 1
1 824 . 20 1 1 A 72 72 ARG CA C 72 56.840 55.626 1.214 1
1 825 . 20 1 1 A 72 72 ARG CB C 72 30.500 29.860 0.640 1
1 828 . 20 1 1 A 72 72 ARG N N 72 120.534 117.636 2.898 1
1 829 . 20 1 1 A 73 73 ARG H H 73 8.148 7.954 0.194 1
1 830 . 20 1 1 A 73 73 ARG HA H 73 4.412 3.987 0.425 1
1 836 . 20 1 1 A 73 73 ARG C C 73 176.552 175.371 1.181 1
1 837 . 20 1 1 A 73 73 ARG CA C 73 56.445 57.066 -0.621 1
1 838 . 20 1 1 A 73 73 ARG CB C 73 30.676 27.020 3.656 1
1 841 . 20 1 1 A 73 73 ARG N N 73 121.356 115.458 5.898 1
1 842 . 20 1 1 A 74 74 GLN HA H 74 4.334 4.299 0.035 1
1 846 . 20 1 1 A 74 74 GLN CA C 74 56.127 57.296 -1.169 1
1 847 . 20 1 1 A 74 74 GLN CB C 74 29.362 29.707 -0.345 1
1 849 . 20 1 1 A 76 76 GLY HA2 H 76 4.168 4.001 0.167 1
1 850 . 20 1 1 A 76 76 GLY HA3 H 76 4.168 4.003 0.165 1
1 851 . 20 1 1 A 76 76 GLY CA C 76 44.736 45.302 -0.566 1
1 852 . 20 1 1 A 77 77 PRO HA H 77 4.502 4.634 -0.132 1
1 859 . 20 1 1 A 77 77 PRO CA C 77 63.330 62.778 0.552 1
1 860 . 20 1 1 A 77 77 PRO CB C 77 32.217 33.317 -1.100 1
1 863 . 20 1 1 A 79 79 SER HA H 79 4.524 4.191 0.333 1
1 865 . 20 1 1 A 79 79 SER C C 79 173.931 174.207 -0.276 1
1 866 . 20 1 1 A 79 79 SER CA C 79 58.409 59.010 -0.601 1
1 867 . 20 1 1 A 79 79 SER CB C 79 64.147 61.008 3.139 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 62 1.027 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.151 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.011 1
4 1 1 1 "RMS(OBS, PRED)" H 59 0.474 1
5 1 1 1 "RMS(OBS, PRED)" HA 68 0.284 1
6 1 1 1 "RMS(OBS, PRED)" N 58 2.022 1
7 1 2 1 "RMS(OBS, PRED)" C 62 1.037 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.290 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.012 1
10 1 2 1 "RMS(OBS, PRED)" H 59 0.465 1
11 1 2 1 "RMS(OBS, PRED)" HA 68 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 58 1.925 1
13 1 3 1 "RMS(OBS, PRED)" C 62 1.196 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.236 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 0.966 1
16 1 3 1 "RMS(OBS, PRED)" H 59 0.457 1
17 1 3 1 "RMS(OBS, PRED)" HA 68 0.282 1
18 1 3 1 "RMS(OBS, PRED)" N 58 1.940 1
19 1 4 1 "RMS(OBS, PRED)" C 62 1.029 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.226 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.010 1
22 1 4 1 "RMS(OBS, PRED)" H 59 0.481 1
23 1 4 1 "RMS(OBS, PRED)" HA 68 0.299 1
24 1 4 1 "RMS(OBS, PRED)" N 58 1.970 1
25 1 5 1 "RMS(OBS, PRED)" C 62 1.142 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.128 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.015 1
28 1 5 1 "RMS(OBS, PRED)" H 59 0.492 1
29 1 5 1 "RMS(OBS, PRED)" HA 68 0.251 1
30 1 5 1 "RMS(OBS, PRED)" N 58 2.110 1
31 1 6 1 "RMS(OBS, PRED)" C 62 1.020 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.211 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.050 1
34 1 6 1 "RMS(OBS, PRED)" H 59 0.466 1
35 1 6 1 "RMS(OBS, PRED)" HA 68 0.244 1
36 1 6 1 "RMS(OBS, PRED)" N 58 1.995 1
37 1 7 1 "RMS(OBS, PRED)" C 62 1.039 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.125 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.024 1
40 1 7 1 "RMS(OBS, PRED)" H 59 0.473 1
41 1 7 1 "RMS(OBS, PRED)" HA 68 0.265 1
42 1 7 1 "RMS(OBS, PRED)" N 58 2.118 1
43 1 8 1 "RMS(OBS, PRED)" C 62 1.033 1
44 1 8 1 "RMS(OBS, PRED)" CA 67 1.309 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.031 1
46 1 8 1 "RMS(OBS, PRED)" H 59 0.482 1
47 1 8 1 "RMS(OBS, PRED)" HA 68 0.265 1
48 1 8 1 "RMS(OBS, PRED)" N 58 2.001 1
49 1 9 1 "RMS(OBS, PRED)" C 62 1.074 1
50 1 9 1 "RMS(OBS, PRED)" CA 67 1.109 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.086 1
52 1 9 1 "RMS(OBS, PRED)" H 59 0.499 1
53 1 9 1 "RMS(OBS, PRED)" HA 68 0.245 1
54 1 9 1 "RMS(OBS, PRED)" N 58 1.997 1
55 1 10 1 "RMS(OBS, PRED)" C 62 1.113 1
56 1 10 1 "RMS(OBS, PRED)" CA 67 1.208 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 0.923 1
58 1 10 1 "RMS(OBS, PRED)" H 59 0.437 1
59 1 10 1 "RMS(OBS, PRED)" HA 68 0.274 1
60 1 10 1 "RMS(OBS, PRED)" N 58 2.001 1
61 1 11 1 "RMS(OBS, PRED)" C 62 1.039 1
62 1 11 1 "RMS(OBS, PRED)" CA 67 1.159 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.031 1
64 1 11 1 "RMS(OBS, PRED)" H 59 0.464 1
65 1 11 1 "RMS(OBS, PRED)" HA 68 0.263 1
66 1 11 1 "RMS(OBS, PRED)" N 58 2.002 1
67 1 12 1 "RMS(OBS, PRED)" C 62 0.991 1
68 1 12 1 "RMS(OBS, PRED)" CA 67 1.089 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.002 1
70 1 12 1 "RMS(OBS, PRED)" H 59 0.465 1
71 1 12 1 "RMS(OBS, PRED)" HA 68 0.282 1
72 1 12 1 "RMS(OBS, PRED)" N 58 2.109 1
73 1 13 1 "RMS(OBS, PRED)" C 62 1.085 1
74 1 13 1 "RMS(OBS, PRED)" CA 67 1.091 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.055 1
76 1 13 1 "RMS(OBS, PRED)" H 59 0.447 1
77 1 13 1 "RMS(OBS, PRED)" HA 68 0.268 1
78 1 13 1 "RMS(OBS, PRED)" N 58 1.928 1
79 1 14 1 "RMS(OBS, PRED)" C 62 1.118 1
80 1 14 1 "RMS(OBS, PRED)" CA 67 1.108 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.063 1
82 1 14 1 "RMS(OBS, PRED)" H 59 0.461 1
83 1 14 1 "RMS(OBS, PRED)" HA 68 0.274 1
84 1 14 1 "RMS(OBS, PRED)" N 58 1.977 1
85 1 15 1 "RMS(OBS, PRED)" C 62 1.059 1
86 1 15 1 "RMS(OBS, PRED)" CA 67 1.260 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.038 1
88 1 15 1 "RMS(OBS, PRED)" H 59 0.482 1
89 1 15 1 "RMS(OBS, PRED)" HA 68 0.273 1
90 1 15 1 "RMS(OBS, PRED)" N 58 1.984 1
91 1 16 1 "RMS(OBS, PRED)" C 62 1.061 1
92 1 16 1 "RMS(OBS, PRED)" CA 67 1.153 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.138 1
94 1 16 1 "RMS(OBS, PRED)" H 59 0.475 1
95 1 16 1 "RMS(OBS, PRED)" HA 68 0.292 1
96 1 16 1 "RMS(OBS, PRED)" N 58 2.025 1
97 1 17 1 "RMS(OBS, PRED)" C 62 1.037 1
98 1 17 1 "RMS(OBS, PRED)" CA 67 1.276 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.096 1
100 1 17 1 "RMS(OBS, PRED)" H 59 0.461 1
101 1 17 1 "RMS(OBS, PRED)" HA 68 0.271 1
102 1 17 1 "RMS(OBS, PRED)" N 58 2.038 1
103 1 18 1 "RMS(OBS, PRED)" C 62 1.074 1
104 1 18 1 "RMS(OBS, PRED)" CA 67 1.131 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.083 1
106 1 18 1 "RMS(OBS, PRED)" H 59 0.492 1
107 1 18 1 "RMS(OBS, PRED)" HA 68 0.268 1
108 1 18 1 "RMS(OBS, PRED)" N 58 2.138 1
109 1 19 1 "RMS(OBS, PRED)" C 62 1.138 1
110 1 19 1 "RMS(OBS, PRED)" CA 67 1.107 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.044 1
112 1 19 1 "RMS(OBS, PRED)" H 59 0.463 1
113 1 19 1 "RMS(OBS, PRED)" HA 68 0.285 1
114 1 19 1 "RMS(OBS, PRED)" N 58 1.982 1
115 1 20 1 "RMS(OBS, PRED)" C 62 1.070 1
116 1 20 1 "RMS(OBS, PRED)" CA 67 1.161 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.144 1
118 1 20 1 "RMS(OBS, PRED)" H 59 0.471 1
119 1 20 1 "RMS(OBS, PRED)" HA 68 0.270 1
120 1 20 1 "RMS(OBS, PRED)" N 58 2.108 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 GLN H H 8 8.925 8.392 0.533 2
1 2 . 1 1 A 8 8 GLN HA H 8 4.398 4.627 -0.229 2
1 8 . 1 1 A 8 8 GLN CA C 8 56.051 55.291 0.760 2
1 9 . 1 1 A 8 8 GLN CB C 8 29.491 30.211 -0.720 2
1 12 . 1 1 A 12 12 THR HA H 12 4.352 4.633 -0.281 2
1 17 . 1 1 A 12 12 THR CA C 12 61.819 61.908 -0.089 2
1 18 . 1 1 A 12 12 THR CB C 12 69.783 69.641 0.142 2
1 20 . 1 1 A 13 13 SER HA H 13 4.465 4.318 0.147 2
1 23 . 1 1 A 13 13 SER C C 13 173.828 174.533 -0.705 2
1 24 . 1 1 A 13 13 SER CA C 13 57.973 60.734 -2.761 2
1 25 . 1 1 A 13 13 SER CB C 13 64.246 63.440 0.806 2
1 26 . 1 1 A 14 14 PHE H H 14 8.322 7.890 0.432 2
1 27 . 1 1 A 14 14 PHE HA H 14 5.035 4.773 0.262 2
1 35 . 1 1 A 14 14 PHE C C 14 176.750 175.191 1.559 2
1 36 . 1 1 A 14 14 PHE CA C 14 56.624 58.029 -1.405 2
1 37 . 1 1 A 14 14 PHE CB C 14 41.174 40.525 0.649 2
1 43 . 1 1 A 14 14 PHE N N 14 121.036 119.060 1.976 2
1 44 . 1 1 A 15 15 THR H H 15 8.944 8.391 0.553 2
1 45 . 1 1 A 15 15 THR HA H 15 4.529 5.034 -0.505 2
1 50 . 1 1 A 15 15 THR C C 15 175.433 175.387 0.047 2
1 51 . 1 1 A 15 15 THR CA C 15 60.644 59.428 1.216 2
1 52 . 1 1 A 15 15 THR CB C 15 70.784 71.765 -0.981 2
1 54 . 1 1 A 15 15 THR N N 15 113.618 112.213 1.404 2
1 55 . 1 1 A 16 16 GLN H H 16 9.086 8.975 0.111 2
1 56 . 1 1 A 16 16 GLN HA H 16 4.016 4.031 -0.015 2
1 63 . 1 1 A 16 16 GLN C C 16 178.149 177.511 0.638 2
1 64 . 1 1 A 16 16 GLN CA C 16 59.283 59.234 0.049 2
1 65 . 1 1 A 16 16 GLN CB C 16 27.943 28.429 -0.486 2
1 67 . 1 1 A 16 16 GLN N N 16 121.415 121.838 -0.423 2
1 69 . 1 1 A 17 17 GLU H H 17 8.837 8.357 0.480 2
1 70 . 1 1 A 17 17 GLU HA H 17 4.048 4.222 -0.174 2
1 75 . 1 1 A 17 17 GLU C C 17 180.248 178.734 1.514 2
1 76 . 1 1 A 17 17 GLU CA C 17 60.156 59.193 0.963 2
1 77 . 1 1 A 17 17 GLU CB C 17 29.125 29.290 -0.165 2
1 79 . 1 1 A 17 17 GLU N N 17 117.930 119.067 -1.137 2
1 80 . 1 1 A 18 18 GLN H H 18 7.738 8.191 -0.453 2
1 81 . 1 1 A 18 18 GLN HA H 18 3.809 4.229 -0.420 2
1 88 . 1 1 A 18 18 GLN C C 18 177.079 178.274 -1.195 2
1 89 . 1 1 A 18 18 GLN CA C 18 59.358 57.916 1.442 2
1 90 . 1 1 A 18 18 GLN CB C 18 27.338 29.189 -1.851 2
1 92 . 1 1 A 18 18 GLN N N 18 119.421 118.690 0.731 2
1 94 . 1 1 A 19 19 ILE H H 19 8.265 8.489 -0.224 2
1 95 . 1 1 A 19 19 ILE HA H 19 3.240 3.508 -0.268 2
1 105 . 1 1 A 19 19 ILE C C 19 177.409 177.845 -0.436 2
1 106 . 1 1 A 19 19 ILE CA C 19 64.693 65.193 -0.500 2
1 107 . 1 1 A 19 19 ILE CB C 19 37.544 37.430 0.114 2
1 111 . 1 1 A 19 19 ILE N N 19 118.326 121.202 -2.876 2
1 112 . 1 1 A 20 20 GLU H H 20 8.304 8.540 -0.236 2
1 113 . 1 1 A 20 20 GLU HA H 20 3.916 4.029 -0.113 2
1 118 . 1 1 A 20 20 GLU C C 20 179.281 178.363 0.918 2
1 119 . 1 1 A 20 20 GLU CA C 20 59.674 59.125 0.549 2
1 120 . 1 1 A 20 20 GLU CB C 20 29.369 29.220 0.149 2
1 122 . 1 1 A 20 20 GLU N N 20 117.948 120.196 -2.248 2
1 123 . 1 1 A 21 21 ALA H H 21 7.335 7.791 -0.456 2
1 124 . 1 1 A 21 21 ALA HA H 21 4.095 4.072 0.023 2
1 128 . 1 1 A 21 21 ALA C C 21 180.825 180.081 0.744 2
1 129 . 1 1 A 21 21 ALA CA C 21 54.885 54.278 0.607 2
1 130 . 1 1 A 21 21 ALA CB C 21 19.190 18.432 0.758 2
1 131 . 1 1 A 21 21 ALA N N 21 120.460 122.222 -1.762 2
1 132 . 1 1 A 22 22 LEU H H 22 8.100 8.153 -0.053 2
1 133 . 1 1 A 22 22 LEU HA H 22 3.490 3.743 -0.253 2
1 143 . 1 1 A 22 22 LEU C C 22 177.861 178.846 -0.985 2
1 144 . 1 1 A 22 22 LEU CA C 22 58.530 57.065 1.465 2
1 145 . 1 1 A 22 22 LEU CB C 22 37.691 40.285 -2.594 2
1 149 . 1 1 A 22 22 LEU N N 22 122.412 119.933 2.479 2
1 150 . 1 1 A 23 23 GLU H H 23 8.534 8.165 0.369 2
1 151 . 1 1 A 23 23 GLU HA H 23 4.360 4.176 0.184 2
1 156 . 1 1 A 23 23 GLU C C 23 180.413 179.465 0.948 2
1 157 . 1 1 A 23 23 GLU CA C 23 59.072 59.528 -0.456 2
1 158 . 1 1 A 23 23 GLU CB C 23 28.905 29.841 -0.936 2
1 160 . 1 1 A 23 23 GLU N N 23 118.309 119.923 -1.614 2
1 161 . 1 1 A 24 24 LYS H H 24 7.898 7.821 0.077 2
1 162 . 1 1 A 24 24 LYS HA H 24 4.170 4.037 0.133 2
1 170 . 1 1 A 24 24 LYS C C 24 179.672 178.751 0.921 2
1 171 . 1 1 A 24 24 LYS CA C 24 59.144 59.495 -0.351 2
1 172 . 1 1 A 24 24 LYS CB C 24 32.082 32.225 -0.143 2
1 176 . 1 1 A 24 24 LYS N N 24 119.449 121.088 -1.639 2
1 177 . 1 1 A 25 25 GLU H H 25 7.887 7.692 0.195 2
1 178 . 1 1 A 25 25 GLU HA H 25 4.596 4.128 0.468 2
1 183 . 1 1 A 25 25 GLU C C 25 177.923 179.186 -1.263 2
1 184 . 1 1 A 25 25 GLU CA C 25 58.799 59.189 -0.390 2
1 185 . 1 1 A 25 25 GLU CB C 25 28.787 29.378 -0.591 2
1 187 . 1 1 A 25 25 GLU N N 25 121.941 118.956 2.985 2
1 188 . 1 1 A 26 26 PHE H H 26 8.843 8.310 0.533 2
1 189 . 1 1 A 26 26 PHE HA H 26 4.865 4.560 0.305 2
1 197 . 1 1 A 26 26 PHE C C 26 176.380 177.808 -1.428 2
1 198 . 1 1 A 26 26 PHE CA C 26 60.798 61.024 -0.226 2
1 199 . 1 1 A 26 26 PHE CB C 26 38.969 38.938 0.031 2
1 205 . 1 1 A 26 26 PHE N N 26 121.919 120.829 1.090 2
1 206 . 1 1 A 27 27 GLU H H 27 7.839 8.709 -0.870 2
1 207 . 1 1 A 27 27 GLU HA H 27 3.952 4.118 -0.166 2
1 212 . 1 1 A 27 27 GLU C C 27 178.335 178.579 -0.244 2
1 213 . 1 1 A 27 27 GLU CA C 27 58.650 59.915 -1.265 2
1 214 . 1 1 A 27 27 GLU CB C 27 29.772 29.046 0.726 2
1 216 . 1 1 A 27 27 GLU N N 27 115.144 117.540 -2.396 2
1 217 . 1 1 A 28 28 ARG H H 28 7.573 7.619 -0.046 2
1 218 . 1 1 A 28 28 ARG HA H 28 4.109 4.202 -0.093 2
1 225 . 1 1 A 28 28 ARG C C 28 177.059 175.732 1.327 2
1 226 . 1 1 A 28 28 ARG CA C 28 58.740 57.852 0.888 2
1 227 . 1 1 A 28 28 ARG CB C 28 30.995 31.693 -0.698 2
1 230 . 1 1 A 28 28 ARG N N 28 120.497 119.454 1.043 2
1 231 . 1 1 A 29 29 THR H H 29 8.786 7.642 1.144 2
1 232 . 1 1 A 29 29 THR HA H 29 4.291 4.493 -0.202 2
1 237 . 1 1 A 29 29 THR C C 29 170.391 173.632 -3.241 2
1 238 . 1 1 A 29 29 THR CA C 29 59.674 60.454 -0.780 2
1 239 . 1 1 A 29 29 THR CB C 29 68.880 71.436 -2.556 2
1 241 . 1 1 A 29 29 THR N N 29 114.915 111.817 3.098 2
1 242 . 1 1 A 30 30 HIS H H 30 8.292 8.457 -0.165 2
1 243 . 1 1 A 30 30 HIS HA H 30 4.420 3.440 0.980 2
1 248 . 1 1 A 30 30 HIS C C 30 174.569 174.341 0.228 2
1 249 . 1 1 A 30 30 HIS CA C 30 54.798 57.135 -2.337 2
1 250 . 1 1 A 30 30 HIS CB C 30 30.629 29.039 1.590 2
1 253 . 1 1 A 30 30 HIS N N 30 122.126 125.195 -3.069 2
1 254 . 1 1 A 31 31 TYR H H 31 8.179 7.288 0.891 2
1 255 . 1 1 A 31 31 TYR HA H 31 4.731 4.903 -0.172 2
1 262 . 1 1 A 31 31 TYR C C 31 172.551 173.005 -0.454 2
1 263 . 1 1 A 31 31 TYR CA C 31 55.259 54.972 0.287 2
1 264 . 1 1 A 31 31 TYR CB C 31 39.362 38.367 0.995 2
1 269 . 1 1 A 31 31 TYR N N 31 115.063 117.669 -2.606 2
1 270 . 1 1 A 32 32 PRO HA H 32 4.256 4.596 -0.340 2
1 277 . 1 1 A 32 32 PRO C C 32 177.388 176.945 0.443 2
1 278 . 1 1 A 32 32 PRO CA C 32 62.903 62.370 0.533 2
1 279 . 1 1 A 32 32 PRO CB C 32 30.896 31.135 -0.239 2
1 282 . 1 1 A 33 33 ASP H H 33 8.457 8.584 -0.127 2
1 283 . 1 1 A 33 33 ASP HA H 33 4.495 4.647 -0.152 2
1 286 . 1 1 A 33 33 ASP C C 33 175.824 177.536 -1.712 2
1 287 . 1 1 A 33 33 ASP CA C 33 52.776 54.424 -1.648 2
1 288 . 1 1 A 33 33 ASP CB C 33 41.174 41.944 -0.770 2
1 289 . 1 1 A 33 33 ASP N N 33 124.636 122.503 2.133 2
1 290 . 1 1 A 34 34 VAL H H 34 8.331 8.491 -0.160 2
1 291 . 1 1 A 34 34 VAL HA H 34 3.488 3.787 -0.299 2
1 299 . 1 1 A 34 34 VAL C C 34 176.133 177.408 -1.275 2
1 300 . 1 1 A 34 34 VAL CA C 34 66.176 65.236 0.940 2
1 301 . 1 1 A 34 34 VAL CB C 34 31.401 31.463 -0.062 2
1 304 . 1 1 A 34 34 VAL N N 34 117.908 123.807 -5.899 2
1 305 . 1 1 A 35 35 PHE H H 35 7.127 7.812 -0.685 2
1 306 . 1 1 A 35 35 PHE HA H 35 4.339 4.179 0.160 2
1 314 . 1 1 A 35 35 PHE C C 35 178.808 177.180 1.628 2
1 315 . 1 1 A 35 35 PHE CA C 35 60.335 61.427 -1.092 2
1 316 . 1 1 A 35 35 PHE CB C 35 37.927 37.861 0.066 2
1 322 . 1 1 A 35 35 PHE N N 35 120.263 120.312 -0.049 2
1 323 . 1 1 A 36 36 ALA H H 36 8.428 8.014 0.414 2
1 324 . 1 1 A 36 36 ALA HA H 36 4.094 4.384 -0.290 2
1 328 . 1 1 A 36 36 ALA C C 36 181.812 179.196 2.616 2
1 329 . 1 1 A 36 36 ALA CA C 36 55.062 54.392 0.670 2
1 330 . 1 1 A 36 36 ALA CB C 36 18.484 19.362 -0.878 2
1 331 . 1 1 A 36 36 ALA N N 36 123.569 121.853 1.715 2
1 332 . 1 1 A 37 37 ARG H H 37 8.695 8.143 0.552 2
1 333 . 1 1 A 37 37 ARG HA H 37 3.920 4.029 -0.109 2
1 341 . 1 1 A 37 37 ARG C C 37 178.232 178.858 -0.626 2
1 342 . 1 1 A 37 37 ARG CA C 37 61.034 59.727 1.307 2
1 343 . 1 1 A 37 37 ARG CB C 37 31.263 29.831 1.432 2
1 346 . 1 1 A 37 37 ARG N N 37 117.907 117.588 0.319 2
1 348 . 1 1 A 38 38 GLU H H 38 8.531 8.282 0.249 2
1 349 . 1 1 A 38 38 GLU HA H 38 4.051 4.084 -0.033 2
1 354 . 1 1 A 38 38 GLU C C 38 179.940 179.362 0.578 2
1 355 . 1 1 A 38 38 GLU CA C 38 59.765 59.264 0.501 2
1 356 . 1 1 A 38 38 GLU CB C 38 29.456 29.184 0.272 2
1 358 . 1 1 A 38 38 GLU N N 38 119.688 119.643 0.045 2
1 359 . 1 1 A 39 39 ARG H H 39 8.096 8.051 0.045 2
1 360 . 1 1 A 39 39 ARG HA H 39 4.130 4.078 0.052 2
1 366 . 1 1 A 39 39 ARG C C 39 179.425 178.947 0.478 2
1 367 . 1 1 A 39 39 ARG CA C 39 59.368 58.951 0.417 2
1 368 . 1 1 A 39 39 ARG CB C 39 30.300 29.840 0.460 2
1 371 . 1 1 A 39 39 ARG N N 39 120.527 120.292 0.235 2
1 372 . 1 1 A 40 40 LEU H H 40 7.933 8.194 -0.261 2
1 373 . 1 1 A 40 40 LEU HA H 40 4.121 4.084 0.037 2
1 383 . 1 1 A 40 40 LEU C C 40 177.861 178.256 -0.395 2
1 384 . 1 1 A 40 40 LEU CA C 40 57.807 57.556 0.251 2
1 385 . 1 1 A 40 40 LEU CB C 40 42.446 41.369 1.077 2
1 389 . 1 1 A 40 40 LEU N N 40 121.371 121.455 -0.084 2
1 390 . 1 1 A 41 41 ALA H H 41 8.537 8.379 0.158 2
1 391 . 1 1 A 41 41 ALA HA H 41 4.102 4.105 -0.003 2
1 395 . 1 1 A 41 41 ALA C C 41 180.372 179.227 1.145 2
1 396 . 1 1 A 41 41 ALA CA C 41 56.060 55.413 0.647 2
1 397 . 1 1 A 41 41 ALA CB C 41 18.892 18.358 0.534 2
1 398 . 1 1 A 41 41 ALA N N 41 121.892 120.473 1.419 2
1 399 . 1 1 A 42 42 ALA H H 42 7.400 7.386 0.014 2
1 400 . 1 1 A 42 42 ALA HA H 42 4.242 4.206 0.036 2
1 404 . 1 1 A 42 42 ALA C C 42 179.631 180.163 -0.532 2
1 405 . 1 1 A 42 42 ALA CA C 42 53.951 53.419 0.532 2
1 406 . 1 1 A 42 42 ALA CB C 42 18.484 19.042 -0.558 2
1 407 . 1 1 A 42 42 ALA N N 42 116.807 119.595 -2.788 2
1 408 . 1 1 A 43 43 LYS H H 43 7.781 8.240 -0.459 2
1 409 . 1 1 A 43 43 LYS HA H 43 4.229 4.077 0.152 2
1 417 . 1 1 A 43 43 LYS C C 43 178.746 177.979 0.767 2
1 418 . 1 1 A 43 43 LYS CA C 43 58.710 58.662 0.048 2
1 419 . 1 1 A 43 43 LYS CB C 43 33.610 32.603 1.007 2
1 423 . 1 1 A 43 43 LYS N N 43 118.433 118.344 0.089 2
1 424 . 1 1 A 44 44 ILE H H 44 8.094 7.494 0.600 2
1 425 . 1 1 A 44 44 ILE HA H 44 4.655 4.382 0.273 2
1 435 . 1 1 A 44 44 ILE C C 44 175.042 175.253 -0.211 2
1 436 . 1 1 A 44 44 ILE CA C 44 60.606 60.065 0.541 2
1 437 . 1 1 A 44 44 ILE CB C 44 38.341 38.408 -0.067 2
1 441 . 1 1 A 44 44 ILE N N 44 108.112 111.478 -3.366 2
1 442 . 1 1 A 45 45 ASP H H 45 7.811 8.127 -0.316 2
1 443 . 1 1 A 45 45 ASP HA H 45 4.333 4.245 0.088 2
1 446 . 1 1 A 45 45 ASP C C 45 173.848 174.534 -0.686 2
1 447 . 1 1 A 45 45 ASP CA C 45 55.065 55.158 -0.093 2
1 448 . 1 1 A 45 45 ASP CB C 45 39.031 39.430 -0.399 2
1 449 . 1 1 A 45 45 ASP N N 45 121.798 120.914 0.884 2
1 450 . 1 1 A 46 46 LEU H H 46 7.550 7.950 -0.400 2
1 451 . 1 1 A 46 46 LEU HA H 46 4.990 4.837 0.153 2
1 461 . 1 1 A 46 46 LEU C C 46 173.536 174.382 -0.846 2
1 462 . 1 1 A 46 46 LEU CA C 46 51.364 51.273 0.091 2
1 463 . 1 1 A 46 46 LEU CB C 46 47.443 44.780 2.663 2
1 467 . 1 1 A 46 46 LEU N N 46 118.454 119.060 -0.606 2
1 468 . 1 1 A 47 47 PRO HA H 47 4.548 4.685 -0.137 2
1 475 . 1 1 A 47 47 PRO C C 47 178.417 177.883 0.534 2
1 476 . 1 1 A 47 47 PRO CA C 47 62.268 62.831 -0.563 2
1 477 . 1 1 A 47 47 PRO CB C 47 32.600 32.141 0.459 2
1 480 . 1 1 A 48 48 GLU H H 48 9.253 9.052 0.201 2
1 481 . 1 1 A 48 48 GLU HA H 48 3.799 4.023 -0.224 2
1 486 . 1 1 A 48 48 GLU C C 48 178.273 178.268 0.005 2
1 487 . 1 1 A 48 48 GLU CA C 48 61.083 59.479 1.604 2
1 488 . 1 1 A 48 48 GLU CB C 48 28.815 29.426 -0.611 2
1 490 . 1 1 A 48 48 GLU N N 48 126.081 124.505 1.576 2
1 491 . 1 1 A 49 49 ALA H H 49 8.923 8.142 0.781 2
1 492 . 1 1 A 49 49 ALA HA H 49 4.128 4.156 -0.028 2
1 496 . 1 1 A 49 49 ALA C C 49 181.277 179.502 1.775 2
1 497 . 1 1 A 49 49 ALA CA C 49 55.569 55.023 0.546 2
1 498 . 1 1 A 49 49 ALA CB C 49 18.681 18.380 0.301 2
1 499 . 1 1 A 49 49 ALA N N 49 119.313 122.376 -3.063 2
1 500 . 1 1 A 50 50 ARG H H 50 7.417 8.181 -0.764 2
1 501 . 1 1 A 50 50 ARG HA H 50 4.348 4.181 0.167 2
1 508 . 1 1 A 50 50 ARG C C 50 179.425 178.623 0.803 2
1 509 . 1 1 A 50 50 ARG CA C 50 57.978 59.673 -1.695 2
1 510 . 1 1 A 50 50 ARG CB C 50 29.723 30.229 -0.506 2
1 513 . 1 1 A 50 50 ARG N N 50 114.567 117.944 -3.377 2
1 514 . 1 1 A 51 51 ILE H H 51 7.785 7.945 -0.160 2
1 515 . 1 1 A 51 51 ILE HA H 51 3.816 3.845 -0.029 2
1 525 . 1 1 A 51 51 ILE C C 51 178.088 178.120 -0.032 2
1 526 . 1 1 A 51 51 ILE CA C 51 65.848 65.348 0.500 2
1 527 . 1 1 A 51 51 ILE CB C 51 37.785 37.791 -0.006 2
1 531 . 1 1 A 51 51 ILE N N 51 121.669 120.892 0.777 2
1 532 . 1 1 A 52 52 GLN H H 52 8.478 8.116 0.362 2
1 533 . 1 1 A 52 52 GLN HA H 52 4.423 4.029 0.394 2
1 539 . 1 1 A 52 52 GLN C C 52 179.364 178.890 0.474 2
1 540 . 1 1 A 52 52 GLN CA C 52 60.232 58.899 1.333 2
1 541 . 1 1 A 52 52 GLN CB C 52 28.945 28.399 0.546 2
1 543 . 1 1 A 52 52 GLN N N 52 118.943 118.283 0.660 2
1 545 . 1 1 A 53 53 VAL H H 53 7.582 8.053 -0.471 2
1 546 . 1 1 A 53 53 VAL HA H 53 3.842 3.716 0.126 2
1 554 . 1 1 A 53 53 VAL C C 53 177.800 178.204 -0.404 2
1 555 . 1 1 A 53 53 VAL CA C 53 66.633 66.768 -0.135 2
1 556 . 1 1 A 53 53 VAL CB C 53 32.241 31.800 0.441 2
1 559 . 1 1 A 53 53 VAL N N 53 120.375 120.287 0.088 2
1 560 . 1 1 A 54 54 TRP H H 54 8.390 8.414 -0.024 2
1 561 . 1 1 A 54 54 TRP HA H 54 4.050 4.134 -0.084 2
1 570 . 1 1 A 54 54 TRP C C 54 180.084 178.170 1.914 2
1 571 . 1 1 A 54 54 TRP CA C 54 63.229 60.995 2.234 2
1 572 . 1 1 A 54 54 TRP CB C 54 28.726 29.558 -0.832 2
1 578 . 1 1 A 54 54 TRP N N 54 121.414 121.285 0.129 2
1 580 . 1 1 A 55 55 PHE H H 55 9.127 8.328 0.799 2
1 581 . 1 1 A 55 55 PHE HA H 55 3.771 4.559 -0.788 2
1 589 . 1 1 A 55 55 PHE C C 55 178.170 178.343 -0.173 2
1 590 . 1 1 A 55 55 PHE CA C 55 63.826 61.802 2.024 2
1 591 . 1 1 A 55 55 PHE CB C 55 39.195 38.803 0.392 2
1 597 . 1 1 A 55 55 PHE N N 55 118.358 117.196 1.162 2
1 598 . 1 1 A 56 56 SER H H 56 8.267 8.606 -0.339 2
1 599 . 1 1 A 56 56 SER HA H 56 4.148 4.145 0.003 2
1 602 . 1 1 A 56 56 SER C C 56 178.376 177.330 1.046 2
1 603 . 1 1 A 56 56 SER CA C 56 62.578 61.839 0.739 2
1 604 . 1 1 A 56 56 SER CB C 56 62.412 63.120 -0.708 2
1 605 . 1 1 A 56 56 SER N N 56 115.049 115.571 -0.522 2
1 606 . 1 1 A 57 57 ASN H H 57 8.231 8.253 -0.022 2
1 607 . 1 1 A 57 57 ASN HA H 57 4.411 4.460 -0.049 2
1 612 . 1 1 A 57 57 ASN C C 57 177.573 178.124 -0.551 2
1 613 . 1 1 A 57 57 ASN CA C 57 55.698 56.139 -0.441 2
1 614 . 1 1 A 57 57 ASN CB C 57 37.827 37.686 0.141 2
1 615 . 1 1 A 57 57 ASN N N 57 120.846 120.082 0.764 2
1 617 . 1 1 A 58 58 ARG H H 58 8.531 7.528 1.003 2
1 618 . 1 1 A 58 58 ARG HA H 58 3.533 3.596 -0.063 2
1 626 . 1 1 A 58 58 ARG C C 58 179.919 178.949 0.970 2
1 627 . 1 1 A 58 58 ARG CA C 58 56.451 59.512 -3.061 2
1 628 . 1 1 A 58 58 ARG CB C 58 27.981 29.508 -1.527 2
1 631 . 1 1 A 58 58 ARG N N 58 124.704 120.092 4.612 2
1 633 . 1 1 A 59 59 ARG H H 59 8.496 8.155 0.341 2
1 634 . 1 1 A 59 59 ARG HA H 59 4.072 4.231 -0.159 2
1 641 . 1 1 A 59 59 ARG C C 59 178.520 179.248 -0.728 2
1 642 . 1 1 A 59 59 ARG CA C 59 60.970 59.653 1.317 2
1 643 . 1 1 A 59 59 ARG CB C 59 31.601 30.001 1.600 2
1 646 . 1 1 A 59 59 ARG N N 59 120.108 119.332 0.776 2
1 647 . 1 1 A 60 60 ALA H H 60 7.487 7.860 -0.373 2
1 648 . 1 1 A 60 60 ALA HA H 60 4.197 4.122 0.075 2
1 652 . 1 1 A 60 60 ALA C C 60 180.475 179.767 0.708 2
1 653 . 1 1 A 60 60 ALA CA C 60 55.547 54.980 0.567 2
1 654 . 1 1 A 60 60 ALA CB C 60 17.635 18.310 -0.675 2
1 655 . 1 1 A 60 60 ALA N N 60 121.949 121.760 0.189 2
1 656 . 1 1 A 61 61 LYS H H 61 7.733 7.898 -0.165 2
1 657 . 1 1 A 61 61 LYS HA H 61 3.927 4.018 -0.091 2
1 666 . 1 1 A 61 61 LYS C C 61 177.656 178.769 -1.113 2
1 667 . 1 1 A 61 61 LYS CA C 61 59.590 58.805 0.785 2
1 668 . 1 1 A 61 61 LYS CB C 61 32.903 31.898 1.005 2
1 672 . 1 1 A 61 61 LYS N N 61 120.311 118.279 2.032 2
1 673 . 1 1 A 62 62 TRP H H 62 8.235 8.332 -0.097 2
1 674 . 1 1 A 62 62 TRP HA H 62 4.475 4.247 0.228 2
1 683 . 1 1 A 62 62 TRP C C 62 178.088 178.378 -0.290 2
1 684 . 1 1 A 62 62 TRP CA C 62 61.043 60.412 0.631 2
1 685 . 1 1 A 62 62 TRP CB C 62 29.113 29.584 -0.471 2
1 691 . 1 1 A 62 62 TRP N N 62 120.161 121.855 -1.694 2
1 693 . 1 1 A 63 63 ARG H H 63 8.579 8.742 -0.163 2
1 694 . 1 1 A 63 63 ARG HA H 63 3.762 3.832 -0.070 2
1 701 . 1 1 A 63 63 ARG C C 63 179.220 178.646 0.574 2
1 702 . 1 1 A 63 63 ARG CA C 63 59.644 59.324 0.320 2
1 703 . 1 1 A 63 63 ARG CB C 63 30.498 30.027 0.471 2
1 706 . 1 1 A 63 63 ARG N N 63 117.951 119.033 -1.082 2
1 707 . 1 1 A 64 64 ARG H H 64 7.754 7.921 -0.167 2
1 708 . 1 1 A 64 64 ARG HA H 64 4.075 4.034 0.041 2
1 715 . 1 1 A 64 64 ARG C C 64 178.643 178.537 0.106 2
1 716 . 1 1 A 64 64 ARG CA C 64 59.313 58.982 0.331 2
1 717 . 1 1 A 64 64 ARG CB C 64 30.254 29.956 0.299 2
1 720 . 1 1 A 64 64 ARG N N 64 119.265 118.579 0.686 2
1 721 . 1 1 A 65 65 GLU H H 65 8.134 7.939 0.195 2
1 722 . 1 1 A 65 65 GLU HA H 65 3.988 4.048 -0.060 2
1 727 . 1 1 A 65 65 GLU C C 65 178.890 178.794 0.096 2
1 728 . 1 1 A 65 65 GLU CA C 65 58.891 59.081 -0.190 2
1 729 . 1 1 A 65 65 GLU CB C 65 29.228 29.433 -0.205 2
1 731 . 1 1 A 65 65 GLU N N 65 119.336 119.314 0.022 2
1 732 . 1 1 A 66 66 GLU H H 66 8.212 8.032 0.180 2
1 733 . 1 1 A 66 66 GLU HA H 66 3.804 3.741 0.063 2
1 738 . 1 1 A 66 66 GLU C C 66 178.273 178.636 -0.363 2
1 739 . 1 1 A 66 66 GLU CA C 66 58.714 59.098 -0.384 2
1 740 . 1 1 A 66 66 GLU CB C 66 29.493 28.812 0.681 2
1 742 . 1 1 A 66 66 GLU N N 66 121.135 120.017 1.118 2
1 743 . 1 1 A 67 67 LYS H H 67 7.663 7.619 0.044 2
1 744 . 1 1 A 67 67 LYS HA H 67 4.044 4.041 0.003 2
1 752 . 1 1 A 67 67 LYS C C 67 178.787 178.909 -0.121 2
1 753 . 1 1 A 67 67 LYS CA C 67 58.801 59.212 -0.411 2
1 754 . 1 1 A 67 67 LYS CB C 67 32.239 32.201 0.038 2
1 758 . 1 1 A 67 67 LYS N N 67 119.200 119.878 -0.678 2
1 759 . 1 1 A 68 68 LEU H H 68 7.631 7.979 -0.348 2
1 760 . 1 1 A 68 68 LEU HA H 68 4.155 3.902 0.253 2
1 770 . 1 1 A 68 68 LEU C C 68 179.055 179.193 -0.138 2
1 771 . 1 1 A 68 68 LEU CA C 68 56.903 57.836 -0.933 2
1 772 . 1 1 A 68 68 LEU CB C 68 41.850 41.493 0.357 2
1 776 . 1 1 A 68 68 LEU N N 68 118.976 119.761 -0.785 2
1 777 . 1 1 A 69 69 ARG H H 69 7.900 8.052 -0.152 2
1 778 . 1 1 A 69 69 ARG HA H 69 4.089 3.939 0.150 2
1 785 . 1 1 A 69 69 ARG C C 69 177.985 178.708 -0.723 2
1 786 . 1 1 A 69 69 ARG CA C 69 58.551 59.365 -0.814 2
1 787 . 1 1 A 69 69 ARG CB C 69 30.430 29.997 0.433 2
1 790 . 1 1 A 69 69 ARG N N 69 119.387 120.070 -0.683 2
1 791 . 1 1 A 70 70 ASN H H 70 8.088 8.212 -0.124 2
1 792 . 1 1 A 70 70 ASN HA H 70 4.633 4.448 0.185 2
1 797 . 1 1 A 70 70 ASN C C 70 176.194 177.558 -1.364 2
1 798 . 1 1 A 70 70 ASN CA C 70 54.463 56.166 -1.703 2
1 799 . 1 1 A 70 70 ASN CB C 70 38.805 38.875 -0.070 2
1 800 . 1 1 A 70 70 ASN N N 70 117.289 117.811 -0.522 2
1 802 . 1 1 A 71 71 GLN H H 71 8.017 8.026 -0.009 2
1 803 . 1 1 A 71 71 GLN HA H 71 4.263 4.079 0.184 2
1 810 . 1 1 A 71 71 GLN C C 71 176.750 177.613 -0.863 2
1 811 . 1 1 A 71 71 GLN CA C 71 57.031 58.346 -1.315 2
1 812 . 1 1 A 71 71 GLN CB C 71 29.122 28.289 0.833 2
1 814 . 1 1 A 71 71 GLN N N 71 119.838 117.924 1.914 2
1 816 . 1 1 A 72 72 ARG H H 72 8.125 7.707 0.418 2
1 817 . 1 1 A 72 72 ARG HA H 72 4.312 4.270 0.042 2
1 823 . 1 1 A 72 72 ARG C C 72 176.729 176.320 0.409 2
1 824 . 1 1 A 72 72 ARG CA C 72 56.840 57.050 -0.210 2
1 825 . 1 1 A 72 72 ARG CB C 72 30.500 30.106 0.394 2
1 828 . 1 1 A 72 72 ARG N N 72 120.534 118.802 1.732 2
1 829 . 1 1 A 73 73 ARG H H 73 8.148 7.571 0.577 2
1 830 . 1 1 A 73 73 ARG HA H 73 4.412 4.112 0.300 2
1 836 . 1 1 A 73 73 ARG C C 73 176.552 176.174 0.378 2
1 837 . 1 1 A 73 73 ARG CA C 73 56.445 56.674 -0.229 2
1 838 . 1 1 A 73 73 ARG CB C 73 30.676 30.362 0.314 2
1 841 . 1 1 A 73 73 ARG N N 73 121.356 119.456 1.900 2
1 842 . 1 1 A 74 74 GLN HA H 74 4.334 4.265 0.069 2
1 846 . 1 1 A 74 74 GLN CA C 74 56.127 56.434 -0.307 2
1 847 . 1 1 A 74 74 GLN CB C 74 29.362 28.735 0.627 2
1 849 . 1 1 A 76 76 GLY HA2 H 76 4.168 4.079 0.089 2
1 850 . 1 1 A 76 76 GLY HA3 H 76 4.168 4.080 0.088 2
1 851 . 1 1 A 76 76 GLY CA C 76 44.736 45.188 -0.452 2
1 852 . 1 1 A 77 77 PRO HA H 77 4.502 4.568 -0.066 2
1 859 . 1 1 A 77 77 PRO CA C 77 63.330 63.166 0.163 2
1 860 . 1 1 A 77 77 PRO CB C 77 32.217 31.814 0.403 2
1 863 . 1 1 A 79 79 SER HA H 79 4.524 4.590 -0.066 2
1 865 . 1 1 A 79 79 SER C C 79 173.931 174.572 -0.641 2
1 866 . 1 1 A 79 79 SER CA C 79 58.409 58.417 -0.008 2
1 867 . 1 1 A 79 79 SER CB C 79 64.147 64.023 0.124 2
stop_
save_