data_10294_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10294
_Entry.PDB_ID 2DMS
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.978 4.172 -0.194 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.978 4.172 -0.194 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.149 172.087 2.062 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.393 44.581 0.812 1
1 5 . 1 1 1 A 8 8 ARG H H 8 8.135 8.462 -0.327 1
1 6 . 1 1 1 A 8 8 ARG C C 8 176.480 175.796 0.684 1
1 7 . 1 1 1 A 8 8 ARG CA C 8 56.589 54.451 2.138 1
1 8 . 1 1 1 A 8 8 ARG CB C 8 30.686 32.942 -2.256 1
1 11 . 1 1 1 A 8 8 ARG N N 8 120.720 122.437 -1.717 1
1 12 . 1 1 1 A 9 9 ARG H H 9 8.471 8.872 -0.401 1
1 13 . 1 1 1 A 9 9 ARG HA H 9 4.288 4.431 -0.143 1
1 14 . 1 1 1 A 9 9 ARG C C 9 176.504 177.250 -0.746 1
1 15 . 1 1 1 A 9 9 ARG CA C 9 56.432 55.682 0.750 1
1 16 . 1 1 1 A 9 9 ARG CB C 9 30.466 31.159 -0.693 1
1 17 . 1 1 1 A 9 9 ARG N N 9 122.487 126.837 -4.350 1
1 18 . 1 1 1 A 13 13 THR HA H 13 4.365 4.528 -0.163 1
1 23 . 1 1 1 A 13 13 THR C C 13 173.954 174.471 -0.517 1
1 24 . 1 1 1 A 13 13 THR CA C 13 61.440 61.598 -0.158 1
1 25 . 1 1 1 A 13 13 THR CB C 13 70.210 70.376 -0.166 1
1 27 . 1 1 1 A 14 14 PHE H H 14 8.297 8.993 -0.696 1
1 28 . 1 1 1 A 14 14 PHE HA H 14 4.941 5.008 -0.067 1
1 36 . 1 1 1 A 14 14 PHE C C 14 176.650 175.769 0.881 1
1 37 . 1 1 1 A 14 14 PHE CA C 14 57.077 58.439 -1.362 1
1 38 . 1 1 1 A 14 14 PHE CB C 14 41.503 39.775 1.728 1
1 44 . 1 1 1 A 14 14 PHE N N 14 121.677 124.019 -2.342 1
1 45 . 1 1 1 A 15 15 THR H H 15 9.009 8.245 0.764 1
1 46 . 1 1 1 A 15 15 THR HA H 15 4.493 4.774 -0.281 1
1 51 . 1 1 1 A 15 15 THR C C 15 175.314 175.324 -0.010 1
1 52 . 1 1 1 A 15 15 THR CA C 15 60.359 59.795 0.564 1
1 53 . 1 1 1 A 15 15 THR CB C 15 70.902 70.468 0.434 1
1 55 . 1 1 1 A 15 15 THR N N 15 113.381 115.732 -2.351 1
1 56 . 1 1 1 A 16 16 ARG H H 16 8.882 8.984 -0.102 1
1 57 . 1 1 1 A 16 16 ARG HA H 16 3.986 3.955 0.031 1
1 64 . 1 1 1 A 16 16 ARG C C 16 177.670 178.040 -0.370 1
1 65 . 1 1 1 A 16 16 ARG CA C 16 59.042 60.119 -1.077 1
1 66 . 1 1 1 A 16 16 ARG CB C 16 30.100 29.952 0.148 1
1 69 . 1 1 1 A 16 16 ARG N N 16 122.206 126.873 -4.667 1
1 70 . 1 1 1 A 17 17 ALA H H 17 8.251 8.220 0.031 1
1 71 . 1 1 1 A 17 17 ALA HA H 17 4.159 4.061 0.098 1
1 75 . 1 1 1 A 17 17 ALA C C 17 181.386 179.850 1.536 1
1 76 . 1 1 1 A 17 17 ALA CA C 17 54.986 55.016 -0.030 1
1 77 . 1 1 1 A 17 17 ALA CB C 17 18.333 18.144 0.189 1
1 78 . 1 1 1 A 17 17 ALA N N 17 119.149 120.462 -1.313 1
1 79 . 1 1 1 A 18 18 GLN H H 18 7.533 8.140 -0.607 1
1 80 . 1 1 1 A 18 18 GLN HA H 18 3.858 4.003 -0.145 1
1 87 . 1 1 1 A 18 18 GLN C C 18 177.986 178.630 -0.644 1
1 88 . 1 1 1 A 18 18 GLN CA C 18 58.790 58.869 -0.079 1
1 89 . 1 1 1 A 18 18 GLN CB C 18 28.603 28.409 0.194 1
1 91 . 1 1 1 A 18 18 GLN N N 18 116.295 118.311 -2.016 1
1 93 . 1 1 1 A 19 19 LEU H H 19 8.417 8.539 -0.122 1
1 94 . 1 1 1 A 19 19 LEU HA H 19 3.547 3.584 -0.037 1
1 104 . 1 1 1 A 19 19 LEU C C 19 178.617 178.320 0.297 1
1 105 . 1 1 1 A 19 19 LEU CA C 19 57.745 57.678 0.067 1
1 106 . 1 1 1 A 19 19 LEU CB C 19 41.584 41.744 -0.160 1
1 110 . 1 1 1 A 19 19 LEU N N 19 118.955 120.160 -1.205 1
1 111 . 1 1 1 A 20 20 ASP H H 20 8.537 8.276 0.261 1
1 112 . 1 1 1 A 20 20 ASP HA H 20 4.291 4.271 0.020 1
1 115 . 1 1 1 A 20 20 ASP C C 20 179.783 178.677 1.106 1
1 116 . 1 1 1 A 20 20 ASP CA C 20 57.666 57.336 0.330 1
1 117 . 1 1 1 A 20 20 ASP CB C 20 39.965 40.654 -0.689 1
1 118 . 1 1 1 A 20 20 ASP N N 20 118.356 118.422 -0.066 1
1 119 . 1 1 1 A 21 21 VAL H H 21 7.006 7.382 -0.376 1
1 120 . 1 1 1 A 21 21 VAL HA H 21 3.667 3.604 0.063 1
1 128 . 1 1 1 A 21 21 VAL C C 21 178.836 177.730 1.106 1
1 129 . 1 1 1 A 21 21 VAL CA C 21 66.062 66.269 -0.207 1
1 130 . 1 1 1 A 21 21 VAL CB C 21 32.006 31.642 0.364 1
1 133 . 1 1 1 A 21 21 VAL N N 21 120.507 119.182 1.325 1
1 134 . 1 1 1 A 22 22 LEU H H 22 7.638 8.151 -0.513 1
1 135 . 1 1 1 A 22 22 LEU HA H 22 3.557 3.740 -0.183 1
1 145 . 1 1 1 A 22 22 LEU C C 22 178.277 178.849 -0.572 1
1 146 . 1 1 1 A 22 22 LEU CA C 22 58.595 57.926 0.669 1
1 147 . 1 1 1 A 22 22 LEU CB C 22 38.402 40.709 -2.307 1
1 151 . 1 1 1 A 22 22 LEU N N 22 122.874 119.575 3.299 1
1 152 . 1 1 1 A 23 23 GLU H H 23 8.880 8.280 0.600 1
1 153 . 1 1 1 A 23 23 GLU HA H 23 4.162 4.063 0.099 1
1 157 . 1 1 1 A 23 23 GLU C C 23 180.123 179.034 1.089 1
1 158 . 1 1 1 A 23 23 GLU CA C 23 59.182 59.132 0.050 1
1 159 . 1 1 1 A 23 23 GLU CB C 23 29.111 29.887 -0.776 1
1 161 . 1 1 1 A 23 23 GLU N N 23 117.314 117.567 -0.253 1
1 162 . 1 1 1 A 24 24 ALA H H 24 7.614 7.782 -0.168 1
1 163 . 1 1 1 A 24 24 ALA HA H 24 4.273 4.066 0.207 1
1 167 . 1 1 1 A 24 24 ALA C C 24 180.560 179.510 1.050 1
1 168 . 1 1 1 A 24 24 ALA CA C 24 55.023 54.896 0.127 1
1 169 . 1 1 1 A 24 24 ALA CB C 24 17.775 18.740 -0.965 1
1 170 . 1 1 1 A 24 24 ALA N N 24 122.032 122.196 -0.164 1
1 171 . 1 1 1 A 25 25 LEU H H 25 7.673 7.757 -0.084 1
1 172 . 1 1 1 A 25 25 LEU HA H 25 4.507 4.198 0.309 1
1 182 . 1 1 1 A 25 25 LEU C C 25 177.694 178.664 -0.970 1
1 183 . 1 1 1 A 25 25 LEU CA C 25 57.913 57.401 0.512 1
1 184 . 1 1 1 A 25 25 LEU CB C 25 40.753 42.219 -1.466 1
1 188 . 1 1 1 A 25 25 LEU N N 25 120.067 119.825 0.242 1
1 189 . 1 1 1 A 26 26 PHE H H 26 8.839 8.228 0.611 1
1 190 . 1 1 1 A 26 26 PHE HA H 26 4.765 4.257 0.508 1
1 198 . 1 1 1 A 26 26 PHE C C 26 175.800 177.869 -2.069 1
1 199 . 1 1 1 A 26 26 PHE CA C 26 61.017 60.289 0.728 1
1 200 . 1 1 1 A 26 26 PHE CB C 26 39.167 39.290 -0.123 1
1 206 . 1 1 1 A 26 26 PHE N N 26 121.428 119.990 1.438 1
1 207 . 1 1 1 A 27 27 ALA H H 27 7.825 8.228 -0.403 1
1 208 . 1 1 1 A 27 27 ALA HA H 27 4.062 4.083 -0.021 1
1 212 . 1 1 1 A 27 27 ALA C C 27 179.273 179.162 0.111 1
1 213 . 1 1 1 A 27 27 ALA CA C 27 53.975 54.620 -0.645 1
1 214 . 1 1 1 A 27 27 ALA CB C 27 18.276 18.570 -0.294 1
1 215 . 1 1 1 A 27 27 ALA N N 27 116.175 120.966 -4.791 1
1 216 . 1 1 1 A 28 28 LYS H H 28 7.618 7.760 -0.142 1
1 217 . 1 1 1 A 28 28 LYS HA H 28 4.251 4.266 -0.015 1
1 225 . 1 1 1 A 28 28 LYS C C 28 177.354 176.403 0.951 1
1 226 . 1 1 1 A 28 28 LYS CA C 28 58.122 58.382 -0.260 1
1 227 . 1 1 1 A 28 28 LYS CB C 28 33.315 32.627 0.688 1
1 231 . 1 1 1 A 28 28 LYS N N 28 118.586 113.798 4.788 1
1 232 . 1 1 1 A 29 29 THR H H 29 8.820 7.902 0.918 1
1 233 . 1 1 1 A 29 29 THR HA H 29 4.410 4.638 -0.228 1
1 238 . 1 1 1 A 29 29 THR C C 29 170.360 174.269 -3.909 1
1 239 . 1 1 1 A 29 29 THR CA C 29 59.749 61.128 -1.379 1
1 240 . 1 1 1 A 29 29 THR CB C 29 68.972 71.214 -2.242 1
1 242 . 1 1 1 A 29 29 THR N N 29 116.094 112.632 3.462 1
1 243 . 1 1 1 A 30 30 ARG H H 30 8.203 8.549 -0.346 1
1 244 . 1 1 1 A 30 30 ARG HA H 30 3.957 4.341 -0.384 1
1 251 . 1 1 1 A 30 30 ARG C C 30 175.120 176.001 -0.881 1
1 252 . 1 1 1 A 30 30 ARG CA C 30 56.750 58.884 -2.134 1
1 253 . 1 1 1 A 30 30 ARG CB C 30 30.444 30.278 0.166 1
1 256 . 1 1 1 A 30 30 ARG N N 30 122.783 127.323 -4.540 1
1 257 . 1 1 1 A 31 31 TYR H H 31 8.002 8.113 -0.111 1
1 258 . 1 1 1 A 31 31 TYR HA H 31 4.686 5.155 -0.469 1
1 265 . 1 1 1 A 31 31 TYR C C 31 172.910 173.069 -0.159 1
1 266 . 1 1 1 A 31 31 TYR CA C 31 55.303 54.940 0.363 1
1 267 . 1 1 1 A 31 31 TYR CB C 31 39.057 38.721 0.336 1
1 272 . 1 1 1 A 31 31 TYR N N 31 114.710 117.625 -2.915 1
1 273 . 1 1 1 A 32 32 PRO HA H 32 4.427 4.639 -0.212 1
1 280 . 1 1 1 A 32 32 PRO C C 32 177.257 175.658 1.599 1
1 281 . 1 1 1 A 32 32 PRO CA C 32 62.838 62.381 0.457 1
1 282 . 1 1 1 A 32 32 PRO CB C 32 32.082 32.688 -0.606 1
1 285 . 1 1 1 A 33 33 ASP H H 33 7.804 8.706 -0.902 1
1 286 . 1 1 1 A 33 33 ASP HA H 33 4.509 4.897 -0.388 1
1 289 . 1 1 1 A 33 33 ASP C C 33 176.286 176.809 -0.523 1
1 290 . 1 1 1 A 33 33 ASP CA C 33 52.894 52.609 0.285 1
1 291 . 1 1 1 A 33 33 ASP CB C 33 41.475 43.144 -1.669 1
1 292 . 1 1 1 A 33 33 ASP N N 33 123.553 121.093 2.460 1
1 293 . 1 1 1 A 34 34 ILE H H 34 8.429 8.595 -0.166 1
1 294 . 1 1 1 A 34 34 ILE HA H 34 3.700 3.777 -0.077 1
1 304 . 1 1 1 A 34 34 ILE C C 34 175.412 177.593 -2.181 1
1 305 . 1 1 1 A 34 34 ILE CA C 34 63.602 64.289 -0.687 1
1 306 . 1 1 1 A 34 34 ILE CB C 34 37.846 37.582 0.264 1
1 310 . 1 1 1 A 34 34 ILE N N 34 117.269 125.132 -7.863 1
1 311 . 1 1 1 A 35 35 PHE H H 35 7.086 7.923 -0.837 1
1 312 . 1 1 1 A 35 35 PHE HA H 35 4.287 4.400 -0.113 1
1 320 . 1 1 1 A 35 35 PHE C C 35 179.589 178.378 1.211 1
1 321 . 1 1 1 A 35 35 PHE CA C 35 60.676 60.589 0.087 1
1 322 . 1 1 1 A 35 35 PHE CB C 35 37.731 39.111 -1.380 1
1 328 . 1 1 1 A 35 35 PHE N N 35 121.852 120.892 0.960 1
1 329 . 1 1 1 A 36 36 MET H H 36 8.559 8.332 0.227 1
1 330 . 1 1 1 A 36 36 MET HA H 36 4.216 4.088 0.128 1
1 338 . 1 1 1 A 36 36 MET C C 36 179.904 178.694 1.210 1
1 339 . 1 1 1 A 36 36 MET CA C 36 58.849 59.133 -0.284 1
1 340 . 1 1 1 A 36 36 MET CB C 36 33.757 32.485 1.272 1
1 343 . 1 1 1 A 36 36 MET N N 36 120.502 117.643 2.859 1
1 344 . 1 1 1 A 37 37 ARG H H 37 8.495 8.324 0.171 1
1 345 . 1 1 1 A 37 37 ARG HA H 37 3.839 3.959 -0.120 1
1 352 . 1 1 1 A 37 37 ARG C C 37 178.326 179.221 -0.895 1
1 353 . 1 1 1 A 37 37 ARG CA C 37 60.738 59.863 0.875 1
1 354 . 1 1 1 A 37 37 ARG CB C 37 31.601 29.951 1.650 1
1 357 . 1 1 1 A 37 37 ARG N N 37 117.379 118.928 -1.549 1
1 358 . 1 1 1 A 38 38 GLU H H 38 8.793 8.466 0.327 1
1 359 . 1 1 1 A 38 38 GLU HA H 38 4.028 4.089 -0.061 1
1 364 . 1 1 1 A 38 38 GLU C C 38 179.079 178.939 0.140 1
1 365 . 1 1 1 A 38 38 GLU CA C 38 59.682 59.178 0.504 1
1 366 . 1 1 1 A 38 38 GLU CB C 38 29.555 29.377 0.178 1
1 368 . 1 1 1 A 38 38 GLU N N 38 119.411 119.717 -0.306 1
1 369 . 1 1 1 A 39 39 GLU H H 39 7.909 8.109 -0.200 1
1 370 . 1 1 1 A 39 39 GLU HA H 39 4.090 4.120 -0.030 1
1 375 . 1 1 1 A 39 39 GLU C C 39 179.662 178.656 1.006 1
1 376 . 1 1 1 A 39 39 GLU CA C 39 59.776 59.286 0.490 1
1 377 . 1 1 1 A 39 39 GLU CB C 39 29.688 29.464 0.224 1
1 379 . 1 1 1 A 39 39 GLU N N 39 119.625 121.046 -1.421 1
1 380 . 1 1 1 A 40 40 VAL H H 40 7.732 8.008 -0.276 1
1 381 . 1 1 1 A 40 40 VAL HA H 40 3.836 3.597 0.239 1
1 389 . 1 1 1 A 40 40 VAL C C 40 176.674 178.174 -1.500 1
1 390 . 1 1 1 A 40 40 VAL CA C 40 65.856 66.784 -0.928 1
1 391 . 1 1 1 A 40 40 VAL CB C 40 31.416 31.553 -0.137 1
1 394 . 1 1 1 A 40 40 VAL N N 40 118.226 119.898 -1.672 1
1 395 . 1 1 1 A 41 41 ALA H H 41 8.405 8.208 0.197 1
1 396 . 1 1 1 A 41 41 ALA HA H 41 3.843 4.051 -0.208 1
1 400 . 1 1 1 A 41 41 ALA C C 41 179.856 178.783 1.073 1
1 401 . 1 1 1 A 41 41 ALA CA C 41 56.009 54.408 1.601 1
1 402 . 1 1 1 A 41 41 ALA CB C 41 17.646 18.442 -0.796 1
1 403 . 1 1 1 A 41 41 ALA N N 41 124.532 121.057 3.475 1
1 404 . 1 1 1 A 42 42 LEU H H 42 7.711 7.564 0.147 1
1 405 . 1 1 1 A 42 42 LEU HA H 42 4.199 4.248 -0.049 1
1 415 . 1 1 1 A 42 42 LEU C C 42 180.317 179.090 1.227 1
1 416 . 1 1 1 A 42 42 LEU CA C 42 57.484 56.172 1.312 1
1 417 . 1 1 1 A 42 42 LEU CB C 42 42.346 42.168 0.178 1
1 421 . 1 1 1 A 42 42 LEU N N 42 116.217 117.667 -1.450 1
1 422 . 1 1 1 A 43 43 LYS H H 43 7.615 8.218 -0.603 1
1 423 . 1 1 1 A 43 43 LYS HA H 43 4.133 4.054 0.079 1
1 432 . 1 1 1 A 43 43 LYS C C 43 178.933 179.250 -0.317 1
1 433 . 1 1 1 A 43 43 LYS CA C 43 59.269 59.356 -0.087 1
1 434 . 1 1 1 A 43 43 LYS CB C 43 33.232 32.454 0.778 1
1 438 . 1 1 1 A 43 43 LYS N N 43 118.909 120.898 -1.989 1
1 439 . 1 1 1 A 44 44 ILE H H 44 8.057 7.994 0.063 1
1 440 . 1 1 1 A 44 44 ILE HA H 44 4.638 4.088 0.550 1
1 450 . 1 1 1 A 44 44 ILE C C 44 174.853 175.621 -0.768 1
1 451 . 1 1 1 A 44 44 ILE CA C 44 60.676 61.410 -0.734 1
1 452 . 1 1 1 A 44 44 ILE CB C 44 38.258 37.478 0.780 1
1 456 . 1 1 1 A 44 44 ILE N N 44 108.541 114.571 -6.030 1
1 457 . 1 1 1 A 45 45 ASN H H 45 7.885 7.992 -0.107 1
1 458 . 1 1 1 A 45 45 ASN HA H 45 4.400 4.288 0.112 1
1 463 . 1 1 1 A 45 45 ASN C C 45 173.857 173.754 0.103 1
1 464 . 1 1 1 A 45 45 ASN CA C 45 54.104 54.447 -0.343 1
1 465 . 1 1 1 A 45 45 ASN CB C 45 37.082 36.526 0.556 1
1 466 . 1 1 1 A 45 45 ASN N N 45 119.396 117.177 2.219 1
1 468 . 1 1 1 A 46 46 LEU H H 46 8.195 7.688 0.507 1
1 469 . 1 1 1 A 46 46 LEU HA H 46 4.961 4.791 0.170 1
1 479 . 1 1 1 A 46 46 LEU CA C 46 52.101 51.419 0.682 1
1 480 . 1 1 1 A 46 46 LEU CB C 46 46.563 45.079 1.484 1
1 484 . 1 1 1 A 46 46 LEU N N 46 119.142 119.042 0.100 1
1 485 . 1 1 1 A 47 47 PRO HA H 47 4.547 4.673 -0.126 1
1 492 . 1 1 1 A 47 47 PRO C C 47 178.350 177.831 0.519 1
1 493 . 1 1 1 A 47 47 PRO CA C 47 62.434 62.842 -0.408 1
1 494 . 1 1 1 A 47 47 PRO CB C 47 32.295 31.693 0.602 1
1 497 . 1 1 1 A 48 48 GLU H H 48 9.242 9.062 0.180 1
1 498 . 1 1 1 A 48 48 GLU HA H 48 3.689 4.002 -0.313 1
1 503 . 1 1 1 A 48 48 GLU C C 48 178.326 178.208 0.118 1
1 504 . 1 1 1 A 48 48 GLU CA C 48 61.058 59.632 1.426 1
1 505 . 1 1 1 A 48 48 GLU CB C 48 28.537 29.480 -0.943 1
1 507 . 1 1 1 A 48 48 GLU N N 48 125.487 125.211 0.276 1
1 508 . 1 1 1 A 49 49 SER H H 49 8.653 7.845 0.808 1
1 509 . 1 1 1 A 49 49 SER HA H 49 4.058 4.125 -0.067 1
1 512 . 1 1 1 A 49 49 SER C C 49 177.549 177.444 0.105 1
1 513 . 1 1 1 A 49 49 SER CA C 49 61.266 61.712 -0.446 1
1 514 . 1 1 1 A 49 49 SER CB C 49 61.658 63.116 -1.458 1
1 515 . 1 1 1 A 49 49 SER N N 49 113.467 114.520 -1.053 1
1 516 . 1 1 1 A 50 50 ARG H H 50 7.489 7.873 -0.384 1
1 517 . 1 1 1 A 50 50 ARG HA H 50 4.344 4.185 0.159 1
1 524 . 1 1 1 A 50 50 ARG C C 50 179.467 179.334 0.133 1
1 525 . 1 1 1 A 50 50 ARG CA C 50 57.575 59.459 -1.884 1
1 526 . 1 1 1 A 50 50 ARG CB C 50 29.523 30.041 -0.518 1
1 529 . 1 1 1 A 50 50 ARG N N 50 120.329 120.859 -0.530 1
1 530 . 1 1 1 A 51 51 VAL H H 51 7.598 7.782 -0.184 1
1 531 . 1 1 1 A 51 51 VAL HA H 51 3.733 3.694 0.039 1
1 539 . 1 1 1 A 51 51 VAL C C 51 177.767 178.087 -0.320 1
1 540 . 1 1 1 A 51 51 VAL CA C 51 67.082 66.960 0.122 1
1 541 . 1 1 1 A 51 51 VAL CB C 51 31.945 31.527 0.418 1
1 544 . 1 1 1 A 51 51 VAL N N 51 121.456 120.378 1.078 1
1 545 . 1 1 1 A 52 52 GLN H H 52 8.579 7.920 0.659 1
1 546 . 1 1 1 A 52 52 GLN HA H 52 4.338 3.846 0.492 1
1 553 . 1 1 1 A 52 52 GLN C C 52 178.836 178.629 0.207 1
1 554 . 1 1 1 A 52 52 GLN CA C 52 60.257 59.061 1.196 1
1 555 . 1 1 1 A 52 52 GLN CB C 52 28.377 28.040 0.337 1
1 557 . 1 1 1 A 52 52 GLN N N 52 119.679 119.896 -0.217 1
1 559 . 1 1 1 A 53 53 VAL H H 53 7.777 8.224 -0.447 1
1 560 . 1 1 1 A 53 53 VAL HA H 53 3.667 3.636 0.031 1
1 568 . 1 1 1 A 53 53 VAL C C 53 177.379 178.248 -0.869 1
1 569 . 1 1 1 A 53 53 VAL CA C 53 67.004 66.858 0.146 1
1 570 . 1 1 1 A 53 53 VAL CB C 53 32.237 31.646 0.591 1
1 573 . 1 1 1 A 53 53 VAL N N 53 119.215 119.385 -0.170 1
1 574 . 1 1 1 A 54 54 TRP H H 54 8.177 8.591 -0.414 1
1 575 . 1 1 1 A 54 54 TRP HA H 54 4.074 4.128 -0.054 1
1 584 . 1 1 1 A 54 54 TRP C C 54 179.589 178.397 1.192 1
1 585 . 1 1 1 A 54 54 TRP CA C 54 63.273 61.003 2.270 1
1 586 . 1 1 1 A 54 54 TRP CB C 54 28.458 29.550 -1.092 1
1 592 . 1 1 1 A 54 54 TRP N N 54 120.980 121.282 -0.302 1
1 594 . 1 1 1 A 55 55 PHE H H 55 8.755 8.239 0.516 1
1 595 . 1 1 1 A 55 55 PHE HA H 55 3.626 3.857 -0.231 1
1 603 . 1 1 1 A 55 55 PHE C C 55 177.937 177.763 0.174 1
1 604 . 1 1 1 A 55 55 PHE CA C 55 64.064 62.038 2.026 1
1 605 . 1 1 1 A 55 55 PHE CB C 55 39.579 38.504 1.075 1
1 611 . 1 1 1 A 55 55 PHE N N 55 118.177 118.007 0.170 1
1 612 . 1 1 1 A 56 56 LYS H H 56 8.169 8.682 -0.513 1
1 613 . 1 1 1 A 56 56 LYS HA H 56 3.914 3.921 -0.007 1
1 620 . 1 1 1 A 56 56 LYS C C 56 179.929 178.936 0.993 1
1 621 . 1 1 1 A 56 56 LYS CA C 56 60.488 59.691 0.797 1
1 622 . 1 1 1 A 56 56 LYS CB C 56 32.243 32.290 -0.047 1
1 626 . 1 1 1 A 56 56 LYS N N 56 119.649 121.397 -1.748 1
1 627 . 1 1 1 A 57 57 ASN H H 57 8.238 8.544 -0.306 1
1 628 . 1 1 1 A 57 57 ASN HA H 57 4.345 4.452 -0.107 1
1 633 . 1 1 1 A 57 57 ASN C C 57 177.379 177.683 -0.304 1
1 634 . 1 1 1 A 57 57 ASN CA C 57 55.515 55.675 -0.160 1
1 635 . 1 1 1 A 57 57 ASN CB C 57 37.887 37.810 0.077 1
1 636 . 1 1 1 A 57 57 ASN N N 57 118.635 118.163 0.472 1
1 638 . 1 1 1 A 58 58 ARG H H 58 8.347 7.962 0.385 1
1 639 . 1 1 1 A 58 58 ARG HA H 58 3.419 3.593 -0.174 1
1 646 . 1 1 1 A 58 58 ARG C C 58 179.637 178.132 1.505 1
1 647 . 1 1 1 A 58 58 ARG CA C 58 56.820 59.028 -2.208 1
1 648 . 1 1 1 A 58 58 ARG CB C 58 28.359 28.705 -0.346 1
1 651 . 1 1 1 A 58 58 ARG N N 58 123.884 120.335 3.549 1
1 652 . 1 1 1 A 59 59 ARG H H 59 8.184 7.452 0.732 1
1 653 . 1 1 1 A 59 59 ARG HA H 59 4.124 3.960 0.164 1
1 659 . 1 1 1 A 59 59 ARG C C 59 178.836 178.508 0.328 1
1 660 . 1 1 1 A 59 59 ARG CA C 59 60.478 59.169 1.309 1
1 661 . 1 1 1 A 59 59 ARG CB C 59 31.667 29.990 1.677 1
1 664 . 1 1 1 A 59 59 ARG N N 59 117.828 118.779 -0.951 1
1 665 . 1 1 1 A 60 60 ALA H H 60 7.407 8.308 -0.901 1
1 666 . 1 1 1 A 60 60 ALA HA H 60 4.183 4.012 0.171 1
1 670 . 1 1 1 A 60 60 ALA C C 60 179.370 179.582 -0.212 1
1 671 . 1 1 1 A 60 60 ALA CA C 60 54.509 54.736 -0.227 1
1 672 . 1 1 1 A 60 60 ALA CB C 60 18.207 18.581 -0.374 1
1 673 . 1 1 1 A 60 60 ALA N N 60 121.238 121.487 -0.249 1
1 674 . 1 1 1 A 61 61 LYS H H 61 7.564 8.007 -0.443 1
1 675 . 1 1 1 A 61 61 LYS HA H 61 4.143 3.999 0.144 1
1 684 . 1 1 1 A 61 61 LYS C C 61 177.767 178.513 -0.746 1
1 685 . 1 1 1 A 61 61 LYS CA C 61 57.671 59.271 -1.600 1
1 686 . 1 1 1 A 61 61 LYS CB C 61 32.490 32.112 0.378 1
1 690 . 1 1 1 A 61 61 LYS N N 61 118.322 118.661 -0.339 1
1 691 . 1 1 1 A 62 62 CYS H H 62 7.725 8.650 -0.925 1
1 692 . 1 1 1 A 62 62 CYS HA H 62 4.401 4.190 0.211 1
1 695 . 1 1 1 A 62 62 CYS C C 62 175.752 176.792 -1.040 1
1 696 . 1 1 1 A 62 62 CYS CA C 62 60.540 61.801 -1.261 1
1 697 . 1 1 1 A 62 62 CYS CB C 62 27.654 27.037 0.617 1
1 698 . 1 1 1 A 62 62 CYS N N 62 117.981 117.538 0.443 1
1 699 . 1 1 1 A 63 63 ARG H H 63 8.044 7.392 0.652 1
1 700 . 1 1 1 A 63 63 ARG HA H 63 4.273 4.148 0.125 1
1 705 . 1 1 1 A 63 63 ARG C C 63 177.233 178.912 -1.679 1
1 706 . 1 1 1 A 63 63 ARG CA C 63 57.631 58.359 -0.728 1
1 707 . 1 1 1 A 63 63 ARG CB C 63 30.347 30.158 0.189 1
1 710 . 1 1 1 A 63 63 ARG N N 63 121.313 120.901 0.412 1
1 711 . 1 1 1 A 64 64 GLN H H 64 8.217 8.484 -0.267 1
1 712 . 1 1 1 A 64 64 GLN HA H 64 4.262 4.155 0.107 1
1 718 . 1 1 1 A 64 64 GLN C C 64 176.942 176.034 0.908 1
1 719 . 1 1 1 A 64 64 GLN CA C 64 57.172 57.547 -0.375 1
1 720 . 1 1 1 A 64 64 GLN CB C 64 29.129 27.428 1.701 1
1 722 . 1 1 1 A 64 64 GLN N N 64 120.369 115.558 4.811 1
1 724 . 1 1 1 A 71 71 ASN CB C 71 37.967 40.507 -2.540 1
1 726 . 1 1 1 A 72 72 GLY HA2 H 72 3.984 4.156 -0.172 1
1 727 . 1 1 1 A 72 72 GLY HA3 H 72 3.984 4.156 -0.172 1
1 728 . 1 1 1 A 72 72 GLY C C 72 174.877 172.201 2.676 1
1 729 . 1 1 1 A 72 72 GLY CA C 72 45.604 46.128 -0.524 1
1 730 . 1 1 1 A 73 73 GLY H H 73 8.288 7.594 0.694 1
1 731 . 1 1 1 A 73 73 GLY HA2 H 73 3.986 4.076 -0.090 1
1 732 . 1 1 1 A 73 73 GLY HA3 H 73 3.986 4.076 -0.090 1
1 733 . 1 1 1 A 73 73 GLY C C 73 174.319 171.463 2.856 1
1 734 . 1 1 1 A 73 73 GLY CA C 73 45.322 45.282 0.040 1
1 735 . 1 1 1 A 73 73 GLY N N 73 108.597 105.376 3.221 1
1 736 . 1 1 1 A 74 74 GLN H H 74 8.281 8.627 -0.346 1
1 737 . 1 1 1 A 74 74 GLN HA H 74 4.413 4.854 -0.441 1
1 743 . 1 1 1 A 74 74 GLN C C 74 176.262 173.992 2.270 1
1 744 . 1 1 1 A 74 74 GLN CA C 74 55.973 55.194 0.779 1
1 745 . 1 1 1 A 74 74 GLN CB C 74 29.605 33.037 -3.432 1
1 747 . 1 1 1 A 74 74 GLN N N 74 119.866 119.921 -0.055 1
1 749 . 1 1 1 A 75 75 SER H H 75 8.432 8.694 -0.262 1
1 750 . 1 1 1 A 75 75 SER HA H 75 4.524 5.080 -0.556 1
1 753 . 1 1 1 A 75 75 SER C C 75 174.586 174.892 -0.306 1
1 754 . 1 1 1 A 75 75 SER CA C 75 58.513 57.268 1.245 1
1 755 . 1 1 1 A 75 75 SER CB C 75 64.061 64.997 -0.936 1
1 756 . 1 1 1 A 75 75 SER N N 75 117.073 117.897 -0.824 1
1 757 . 1 1 1 A 76 76 GLY H H 76 8.244 8.583 -0.339 1
1 758 . 1 1 1 A 76 76 GLY HA2 H 76 4.171 4.483 -0.312 1
1 759 . 1 1 1 A 76 76 GLY HA3 H 76 4.102 4.484 -0.382 1
1 760 . 1 1 1 A 76 76 GLY C C 76 171.842 171.936 -0.094 1
1 761 . 1 1 1 A 76 76 GLY CA C 76 44.617 45.439 -0.822 1
1 762 . 1 1 1 A 76 76 GLY N N 76 110.727 107.780 2.947 1
1 763 . 1 1 1 A 77 77 PRO HA H 77 4.494 4.620 -0.126 1
1 770 . 1 1 1 A 77 77 PRO C C 77 177.476 175.047 2.429 1
1 771 . 1 1 1 A 77 77 PRO CA C 77 63.380 62.500 0.880 1
1 772 . 1 1 1 A 77 77 PRO CB C 77 32.231 33.162 -0.931 1
1 775 . 1 1 1 A 78 78 SER H H 78 8.526 8.287 0.239 1
1 776 . 1 1 1 A 78 78 SER HA H 78 4.514 5.040 -0.526 1
1 779 . 1 1 1 A 78 78 SER C C 78 174.756 173.573 1.183 1
1 780 . 1 1 1 A 78 78 SER CA C 78 58.513 57.748 0.765 1
1 781 . 1 1 1 A 78 78 SER CB C 78 63.896 66.850 -2.954 1
1 782 . 1 1 1 A 78 78 SER N N 78 116.438 115.847 0.591 1
1 783 . 1 1 1 A 79 79 SER H H 79 8.329 8.676 -0.347 1
1 784 . 1 1 1 A 79 79 SER HA H 79 4.502 5.164 -0.662 1
1 787 . 1 1 1 A 79 79 SER C C 79 173.954 174.383 -0.429 1
1 788 . 1 1 1 A 79 79 SER CA C 79 58.477 56.846 1.631 1
1 789 . 1 1 1 A 79 79 SER CB C 79 64.019 65.706 -1.687 1
1 790 . 1 1 1 A 79 79 SER N N 79 117.859 114.591 3.268 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.978 3.994 -0.016 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.978 3.996 -0.018 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.149 173.554 0.595 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.393 45.723 -0.330 1
1 5 . 2 1 1 A 8 8 ARG H H 8 8.135 8.538 -0.403 1
1 6 . 2 1 1 A 8 8 ARG C C 8 176.480 176.487 -0.007 1
1 7 . 2 1 1 A 8 8 ARG CA C 8 56.589 53.831 2.758 1
1 8 . 2 1 1 A 8 8 ARG CB C 8 30.686 33.739 -3.053 1
1 11 . 2 1 1 A 8 8 ARG N N 8 120.720 123.793 -3.073 1
1 12 . 2 1 1 A 9 9 ARG H H 9 8.471 8.622 -0.151 1
1 13 . 2 1 1 A 9 9 ARG HA H 9 4.288 4.015 0.273 1
1 14 . 2 1 1 A 9 9 ARG C C 9 176.504 176.451 0.053 1
1 15 . 2 1 1 A 9 9 ARG CA C 9 56.432 59.486 -3.054 1
1 16 . 2 1 1 A 9 9 ARG CB C 9 30.466 30.273 0.193 1
1 17 . 2 1 1 A 9 9 ARG N N 9 122.487 121.329 1.158 1
1 18 . 2 1 1 A 13 13 THR HA H 13 4.365 4.373 -0.008 1
1 23 . 2 1 1 A 13 13 THR C C 13 173.954 174.435 -0.481 1
1 24 . 2 1 1 A 13 13 THR CA C 13 61.440 63.474 -2.034 1
1 25 . 2 1 1 A 13 13 THR CB C 13 70.210 70.790 -0.580 1
1 27 . 2 1 1 A 14 14 PHE H H 14 8.297 7.927 0.370 1
1 28 . 2 1 1 A 14 14 PHE HA H 14 4.941 4.794 0.147 1
1 36 . 2 1 1 A 14 14 PHE C C 14 176.650 175.702 0.948 1
1 37 . 2 1 1 A 14 14 PHE CA C 14 57.077 57.547 -0.470 1
1 38 . 2 1 1 A 14 14 PHE CB C 14 41.503 39.606 1.897 1
1 44 . 2 1 1 A 14 14 PHE N N 14 121.677 120.239 1.438 1
1 45 . 2 1 1 A 15 15 THR H H 15 9.009 8.587 0.422 1
1 46 . 2 1 1 A 15 15 THR HA H 15 4.493 4.759 -0.266 1
1 51 . 2 1 1 A 15 15 THR C C 15 175.314 176.229 -0.915 1
1 52 . 2 1 1 A 15 15 THR CA C 15 60.359 60.494 -0.135 1
1 53 . 2 1 1 A 15 15 THR CB C 15 70.902 71.494 -0.592 1
1 55 . 2 1 1 A 15 15 THR N N 15 113.381 116.026 -2.645 1
1 56 . 2 1 1 A 16 16 ARG H H 16 8.882 9.071 -0.189 1
1 57 . 2 1 1 A 16 16 ARG HA H 16 3.986 3.900 0.086 1
1 64 . 2 1 1 A 16 16 ARG C C 16 177.670 178.605 -0.935 1
1 65 . 2 1 1 A 16 16 ARG CA C 16 59.042 60.180 -1.138 1
1 66 . 2 1 1 A 16 16 ARG CB C 16 30.100 30.049 0.051 1
1 69 . 2 1 1 A 16 16 ARG N N 16 122.206 121.776 0.430 1
1 70 . 2 1 1 A 17 17 ALA H H 17 8.251 8.118 0.133 1
1 71 . 2 1 1 A 17 17 ALA HA H 17 4.159 4.027 0.132 1
1 75 . 2 1 1 A 17 17 ALA C C 17 181.386 180.152 1.234 1
1 76 . 2 1 1 A 17 17 ALA CA C 17 54.986 55.440 -0.454 1
1 77 . 2 1 1 A 17 17 ALA CB C 17 18.333 18.360 -0.027 1
1 78 . 2 1 1 A 17 17 ALA N N 17 119.149 121.844 -2.695 1
1 79 . 2 1 1 A 18 18 GLN H H 18 7.533 7.950 -0.417 1
1 80 . 2 1 1 A 18 18 GLN HA H 18 3.858 4.026 -0.168 1
1 87 . 2 1 1 A 18 18 GLN C C 18 177.986 178.759 -0.773 1
1 88 . 2 1 1 A 18 18 GLN CA C 18 58.790 58.997 -0.207 1
1 89 . 2 1 1 A 18 18 GLN CB C 18 28.603 28.127 0.476 1
1 91 . 2 1 1 A 18 18 GLN N N 18 116.295 117.187 -0.892 1
1 93 . 2 1 1 A 19 19 LEU H H 19 8.417 8.265 0.152 1
1 94 . 2 1 1 A 19 19 LEU HA H 19 3.547 3.780 -0.233 1
1 104 . 2 1 1 A 19 19 LEU C C 19 178.617 178.744 -0.127 1
1 105 . 2 1 1 A 19 19 LEU CA C 19 57.745 57.672 0.073 1
1 106 . 2 1 1 A 19 19 LEU CB C 19 41.584 41.470 0.114 1
1 110 . 2 1 1 A 19 19 LEU N N 19 118.955 120.615 -1.660 1
1 111 . 2 1 1 A 20 20 ASP H H 20 8.537 8.623 -0.086 1
1 112 . 2 1 1 A 20 20 ASP HA H 20 4.291 4.302 -0.011 1
1 115 . 2 1 1 A 20 20 ASP C C 20 179.783 178.477 1.306 1
1 116 . 2 1 1 A 20 20 ASP CA C 20 57.666 57.632 0.034 1
1 117 . 2 1 1 A 20 20 ASP CB C 20 39.965 40.514 -0.549 1
1 118 . 2 1 1 A 20 20 ASP N N 20 118.356 118.894 -0.538 1
1 119 . 2 1 1 A 21 21 VAL H H 21 7.006 7.225 -0.219 1
1 120 . 2 1 1 A 21 21 VAL HA H 21 3.667 3.691 -0.024 1
1 128 . 2 1 1 A 21 21 VAL C C 21 178.836 177.847 0.989 1
1 129 . 2 1 1 A 21 21 VAL CA C 21 66.062 66.226 -0.164 1
1 130 . 2 1 1 A 21 21 VAL CB C 21 32.006 31.799 0.207 1
1 133 . 2 1 1 A 21 21 VAL N N 21 120.507 120.390 0.117 1
1 134 . 2 1 1 A 22 22 LEU H H 22 7.638 7.902 -0.264 1
1 135 . 2 1 1 A 22 22 LEU HA H 22 3.557 3.708 -0.151 1
1 145 . 2 1 1 A 22 22 LEU C C 22 178.277 179.126 -0.849 1
1 146 . 2 1 1 A 22 22 LEU CA C 22 58.595 58.076 0.519 1
1 147 . 2 1 1 A 22 22 LEU CB C 22 38.402 40.594 -2.192 1
1 151 . 2 1 1 A 22 22 LEU N N 22 122.874 119.004 3.870 1
1 152 . 2 1 1 A 23 23 GLU H H 23 8.880 8.207 0.673 1
1 153 . 2 1 1 A 23 23 GLU HA H 23 4.162 4.187 -0.025 1
1 157 . 2 1 1 A 23 23 GLU C C 23 180.123 178.977 1.146 1
1 158 . 2 1 1 A 23 23 GLU CA C 23 59.182 59.126 0.056 1
1 159 . 2 1 1 A 23 23 GLU CB C 23 29.111 29.895 -0.784 1
1 161 . 2 1 1 A 23 23 GLU N N 23 117.314 117.652 -0.338 1
1 162 . 2 1 1 A 24 24 ALA H H 24 7.614 7.728 -0.114 1
1 163 . 2 1 1 A 24 24 ALA HA H 24 4.273 4.118 0.155 1
1 167 . 2 1 1 A 24 24 ALA C C 24 180.560 179.803 0.757 1
1 168 . 2 1 1 A 24 24 ALA CA C 24 55.023 55.037 -0.014 1
1 169 . 2 1 1 A 24 24 ALA CB C 24 17.775 18.672 -0.897 1
1 170 . 2 1 1 A 24 24 ALA N N 24 122.032 122.629 -0.597 1
1 171 . 2 1 1 A 25 25 LEU H H 25 7.673 8.058 -0.385 1
1 172 . 2 1 1 A 25 25 LEU HA H 25 4.507 4.194 0.313 1
1 182 . 2 1 1 A 25 25 LEU C C 25 177.694 178.428 -0.734 1
1 183 . 2 1 1 A 25 25 LEU CA C 25 57.913 57.425 0.488 1
1 184 . 2 1 1 A 25 25 LEU CB C 25 40.753 41.544 -0.791 1
1 188 . 2 1 1 A 25 25 LEU N N 25 120.067 119.778 0.289 1
1 189 . 2 1 1 A 26 26 PHE H H 26 8.839 8.393 0.446 1
1 190 . 2 1 1 A 26 26 PHE HA H 26 4.765 4.304 0.461 1
1 198 . 2 1 1 A 26 26 PHE C C 26 175.800 177.753 -1.953 1
1 199 . 2 1 1 A 26 26 PHE CA C 26 61.017 60.213 0.804 1
1 200 . 2 1 1 A 26 26 PHE CB C 26 39.167 39.639 -0.472 1
1 206 . 2 1 1 A 26 26 PHE N N 26 121.428 120.129 1.299 1
1 207 . 2 1 1 A 27 27 ALA H H 27 7.825 7.760 0.065 1
1 208 . 2 1 1 A 27 27 ALA HA H 27 4.062 4.370 -0.308 1
1 212 . 2 1 1 A 27 27 ALA C C 27 179.273 179.217 0.056 1
1 213 . 2 1 1 A 27 27 ALA CA C 27 53.975 54.402 -0.427 1
1 214 . 2 1 1 A 27 27 ALA CB C 27 18.276 18.869 -0.593 1
1 215 . 2 1 1 A 27 27 ALA N N 27 116.175 121.399 -5.224 1
1 216 . 2 1 1 A 28 28 LYS H H 28 7.618 7.405 0.213 1
1 217 . 2 1 1 A 28 28 LYS HA H 28 4.251 4.258 -0.007 1
1 225 . 2 1 1 A 28 28 LYS C C 28 177.354 176.236 1.118 1
1 226 . 2 1 1 A 28 28 LYS CA C 28 58.122 58.484 -0.362 1
1 227 . 2 1 1 A 28 28 LYS CB C 28 33.315 32.523 0.792 1
1 231 . 2 1 1 A 28 28 LYS N N 28 118.586 113.782 4.804 1
1 232 . 2 1 1 A 29 29 THR H H 29 8.820 7.621 1.199 1
1 233 . 2 1 1 A 29 29 THR HA H 29 4.410 4.580 -0.170 1
1 238 . 2 1 1 A 29 29 THR C C 29 170.360 173.766 -3.406 1
1 239 . 2 1 1 A 29 29 THR CA C 29 59.749 60.450 -0.701 1
1 240 . 2 1 1 A 29 29 THR CB C 29 68.972 71.403 -2.431 1
1 242 . 2 1 1 A 29 29 THR N N 29 116.094 112.988 3.106 1
1 243 . 2 1 1 A 30 30 ARG H H 30 8.203 8.404 -0.201 1
1 244 . 2 1 1 A 30 30 ARG HA H 30 3.957 3.652 0.305 1
1 251 . 2 1 1 A 30 30 ARG C C 30 175.120 175.465 -0.345 1
1 252 . 2 1 1 A 30 30 ARG CA C 30 56.750 57.323 -0.573 1
1 253 . 2 1 1 A 30 30 ARG CB C 30 30.444 29.933 0.511 1
1 256 . 2 1 1 A 30 30 ARG N N 30 122.783 126.412 -3.629 1
1 257 . 2 1 1 A 31 31 TYR H H 31 8.002 7.662 0.340 1
1 258 . 2 1 1 A 31 31 TYR HA H 31 4.686 4.958 -0.272 1
1 265 . 2 1 1 A 31 31 TYR C C 31 172.910 172.687 0.223 1
1 266 . 2 1 1 A 31 31 TYR CA C 31 55.303 54.756 0.547 1
1 267 . 2 1 1 A 31 31 TYR CB C 31 39.057 38.335 0.722 1
1 272 . 2 1 1 A 31 31 TYR N N 31 114.710 117.201 -2.491 1
1 273 . 2 1 1 A 32 32 PRO HA H 32 4.427 4.615 -0.188 1
1 280 . 2 1 1 A 32 32 PRO C C 32 177.257 175.957 1.300 1
1 281 . 2 1 1 A 32 32 PRO CA C 32 62.838 62.672 0.166 1
1 282 . 2 1 1 A 32 32 PRO CB C 32 32.082 32.422 -0.340 1
1 285 . 2 1 1 A 33 33 ASP H H 33 7.804 8.607 -0.803 1
1 286 . 2 1 1 A 33 33 ASP HA H 33 4.509 4.789 -0.280 1
1 289 . 2 1 1 A 33 33 ASP C C 33 176.286 176.568 -0.282 1
1 290 . 2 1 1 A 33 33 ASP CA C 33 52.894 52.641 0.253 1
1 291 . 2 1 1 A 33 33 ASP CB C 33 41.475 42.983 -1.508 1
1 292 . 2 1 1 A 33 33 ASP N N 33 123.553 121.175 2.378 1
1 293 . 2 1 1 A 34 34 ILE H H 34 8.429 8.583 -0.154 1
1 294 . 2 1 1 A 34 34 ILE HA H 34 3.700 3.878 -0.178 1
1 304 . 2 1 1 A 34 34 ILE C C 34 175.412 177.560 -2.148 1
1 305 . 2 1 1 A 34 34 ILE CA C 34 63.602 63.773 -0.171 1
1 306 . 2 1 1 A 34 34 ILE CB C 34 37.846 37.467 0.379 1
1 310 . 2 1 1 A 34 34 ILE N N 34 117.269 124.780 -7.511 1
1 311 . 2 1 1 A 35 35 PHE H H 35 7.086 7.771 -0.685 1
1 312 . 2 1 1 A 35 35 PHE HA H 35 4.287 4.305 -0.018 1
1 320 . 2 1 1 A 35 35 PHE C C 35 179.589 178.280 1.309 1
1 321 . 2 1 1 A 35 35 PHE CA C 35 60.676 60.246 0.430 1
1 322 . 2 1 1 A 35 35 PHE CB C 35 37.731 38.297 -0.566 1
1 328 . 2 1 1 A 35 35 PHE N N 35 121.852 121.196 0.656 1
1 329 . 2 1 1 A 36 36 MET H H 36 8.559 8.387 0.172 1
1 330 . 2 1 1 A 36 36 MET HA H 36 4.216 4.119 0.097 1
1 338 . 2 1 1 A 36 36 MET C C 36 179.904 178.625 1.279 1
1 339 . 2 1 1 A 36 36 MET CA C 36 58.849 59.010 -0.161 1
1 340 . 2 1 1 A 36 36 MET CB C 36 33.757 32.722 1.035 1
1 343 . 2 1 1 A 36 36 MET N N 36 120.502 117.506 2.996 1
1 344 . 2 1 1 A 37 37 ARG H H 37 8.495 7.965 0.530 1
1 345 . 2 1 1 A 37 37 ARG HA H 37 3.839 3.966 -0.127 1
1 352 . 2 1 1 A 37 37 ARG C C 37 178.326 179.418 -1.092 1
1 353 . 2 1 1 A 37 37 ARG CA C 37 60.738 59.828 0.910 1
1 354 . 2 1 1 A 37 37 ARG CB C 37 31.601 29.930 1.671 1
1 357 . 2 1 1 A 37 37 ARG N N 37 117.379 118.887 -1.508 1
1 358 . 2 1 1 A 38 38 GLU H H 38 8.793 8.198 0.595 1
1 359 . 2 1 1 A 38 38 GLU HA H 38 4.028 4.080 -0.052 1
1 364 . 2 1 1 A 38 38 GLU C C 38 179.079 178.929 0.150 1
1 365 . 2 1 1 A 38 38 GLU CA C 38 59.682 59.090 0.592 1
1 366 . 2 1 1 A 38 38 GLU CB C 38 29.555 29.174 0.381 1
1 368 . 2 1 1 A 38 38 GLU N N 38 119.411 119.736 -0.325 1
1 369 . 2 1 1 A 39 39 GLU H H 39 7.909 7.949 -0.040 1
1 370 . 2 1 1 A 39 39 GLU HA H 39 4.090 4.110 -0.020 1
1 375 . 2 1 1 A 39 39 GLU C C 39 179.662 178.635 1.027 1
1 376 . 2 1 1 A 39 39 GLU CA C 39 59.776 59.303 0.473 1
1 377 . 2 1 1 A 39 39 GLU CB C 39 29.688 29.476 0.212 1
1 379 . 2 1 1 A 39 39 GLU N N 39 119.625 120.551 -0.926 1
1 380 . 2 1 1 A 40 40 VAL H H 40 7.732 8.007 -0.275 1
1 381 . 2 1 1 A 40 40 VAL HA H 40 3.836 3.601 0.235 1
1 389 . 2 1 1 A 40 40 VAL C C 40 176.674 178.146 -1.472 1
1 390 . 2 1 1 A 40 40 VAL CA C 40 65.856 66.785 -0.929 1
1 391 . 2 1 1 A 40 40 VAL CB C 40 31.416 31.526 -0.110 1
1 394 . 2 1 1 A 40 40 VAL N N 40 118.226 119.895 -1.669 1
1 395 . 2 1 1 A 41 41 ALA H H 41 8.405 8.304 0.101 1
1 396 . 2 1 1 A 41 41 ALA HA H 41 3.843 4.040 -0.197 1
1 400 . 2 1 1 A 41 41 ALA C C 41 179.856 178.848 1.008 1
1 401 . 2 1 1 A 41 41 ALA CA C 41 56.009 54.554 1.455 1
1 402 . 2 1 1 A 41 41 ALA CB C 41 17.646 18.624 -0.978 1
1 403 . 2 1 1 A 41 41 ALA N N 41 124.532 121.060 3.472 1
1 404 . 2 1 1 A 42 42 LEU H H 42 7.711 7.625 0.086 1
1 405 . 2 1 1 A 42 42 LEU HA H 42 4.199 4.237 -0.038 1
1 415 . 2 1 1 A 42 42 LEU C C 42 180.317 179.004 1.313 1
1 416 . 2 1 1 A 42 42 LEU CA C 42 57.484 55.760 1.724 1
1 417 . 2 1 1 A 42 42 LEU CB C 42 42.346 42.253 0.093 1
1 421 . 2 1 1 A 42 42 LEU N N 42 116.217 117.712 -1.495 1
1 422 . 2 1 1 A 43 43 LYS H H 43 7.615 8.279 -0.664 1
1 423 . 2 1 1 A 43 43 LYS HA H 43 4.133 4.122 0.011 1
1 432 . 2 1 1 A 43 43 LYS C C 43 178.933 179.241 -0.308 1
1 433 . 2 1 1 A 43 43 LYS CA C 43 59.269 59.099 0.170 1
1 434 . 2 1 1 A 43 43 LYS CB C 43 33.232 32.694 0.538 1
1 438 . 2 1 1 A 43 43 LYS N N 43 118.909 120.487 -1.578 1
1 439 . 2 1 1 A 44 44 ILE H H 44 8.057 8.032 0.025 1
1 440 . 2 1 1 A 44 44 ILE HA H 44 4.638 4.061 0.577 1
1 450 . 2 1 1 A 44 44 ILE C C 44 174.853 176.579 -1.726 1
1 451 . 2 1 1 A 44 44 ILE CA C 44 60.676 62.224 -1.548 1
1 452 . 2 1 1 A 44 44 ILE CB C 44 38.258 37.994 0.264 1
1 456 . 2 1 1 A 44 44 ILE N N 44 108.541 115.399 -6.858 1
1 457 . 2 1 1 A 45 45 ASN H H 45 7.885 8.212 -0.327 1
1 458 . 2 1 1 A 45 45 ASN HA H 45 4.400 4.338 0.062 1
1 463 . 2 1 1 A 45 45 ASN C C 45 173.857 173.861 -0.004 1
1 464 . 2 1 1 A 45 45 ASN CA C 45 54.104 54.134 -0.030 1
1 465 . 2 1 1 A 45 45 ASN CB C 45 37.082 37.243 -0.161 1
1 466 . 2 1 1 A 45 45 ASN N N 45 119.396 120.432 -1.036 1
1 468 . 2 1 1 A 46 46 LEU H H 46 8.195 7.662 0.533 1
1 469 . 2 1 1 A 46 46 LEU HA H 46 4.961 4.787 0.174 1
1 479 . 2 1 1 A 46 46 LEU CA C 46 52.101 51.409 0.692 1
1 480 . 2 1 1 A 46 46 LEU CB C 46 46.563 44.904 1.659 1
1 484 . 2 1 1 A 46 46 LEU N N 46 119.142 118.806 0.336 1
1 485 . 2 1 1 A 47 47 PRO HA H 47 4.547 4.681 -0.134 1
1 492 . 2 1 1 A 47 47 PRO C C 47 178.350 177.841 0.509 1
1 493 . 2 1 1 A 47 47 PRO CA C 47 62.434 62.851 -0.417 1
1 494 . 2 1 1 A 47 47 PRO CB C 47 32.295 31.693 0.602 1
1 497 . 2 1 1 A 48 48 GLU H H 48 9.242 9.069 0.173 1
1 498 . 2 1 1 A 48 48 GLU HA H 48 3.689 4.019 -0.330 1
1 503 . 2 1 1 A 48 48 GLU C C 48 178.326 178.311 0.015 1
1 504 . 2 1 1 A 48 48 GLU CA C 48 61.058 59.650 1.408 1
1 505 . 2 1 1 A 48 48 GLU CB C 48 28.537 29.550 -1.013 1
1 507 . 2 1 1 A 48 48 GLU N N 48 125.487 125.237 0.250 1
1 508 . 2 1 1 A 49 49 SER H H 49 8.653 8.161 0.492 1
1 509 . 2 1 1 A 49 49 SER HA H 49 4.058 4.170 -0.112 1
1 512 . 2 1 1 A 49 49 SER C C 49 177.549 176.950 0.599 1
1 513 . 2 1 1 A 49 49 SER CA C 49 61.266 61.806 -0.540 1
1 514 . 2 1 1 A 49 49 SER CB C 49 61.658 62.857 -1.199 1
1 515 . 2 1 1 A 49 49 SER N N 49 113.467 117.732 -4.265 1
1 516 . 2 1 1 A 50 50 ARG H H 50 7.489 7.901 -0.412 1
1 517 . 2 1 1 A 50 50 ARG HA H 50 4.344 4.250 0.094 1
1 524 . 2 1 1 A 50 50 ARG C C 50 179.467 179.228 0.239 1
1 525 . 2 1 1 A 50 50 ARG CA C 50 57.575 59.261 -1.686 1
1 526 . 2 1 1 A 50 50 ARG CB C 50 29.523 29.874 -0.351 1
1 529 . 2 1 1 A 50 50 ARG N N 50 120.329 121.769 -1.440 1
1 530 . 2 1 1 A 51 51 VAL H H 51 7.598 7.905 -0.307 1
1 531 . 2 1 1 A 51 51 VAL HA H 51 3.733 3.772 -0.039 1
1 539 . 2 1 1 A 51 51 VAL C C 51 177.767 178.126 -0.359 1
1 540 . 2 1 1 A 51 51 VAL CA C 51 67.082 67.015 0.067 1
1 541 . 2 1 1 A 51 51 VAL CB C 51 31.945 31.596 0.349 1
1 544 . 2 1 1 A 51 51 VAL N N 51 121.456 120.618 0.838 1
1 545 . 2 1 1 A 52 52 GLN H H 52 8.579 8.145 0.434 1
1 546 . 2 1 1 A 52 52 GLN HA H 52 4.338 4.079 0.259 1
1 553 . 2 1 1 A 52 52 GLN C C 52 178.836 178.437 0.399 1
1 554 . 2 1 1 A 52 52 GLN CA C 52 60.257 59.438 0.819 1
1 555 . 2 1 1 A 52 52 GLN CB C 52 28.377 28.455 -0.078 1
1 557 . 2 1 1 A 52 52 GLN N N 52 119.679 119.522 0.157 1
1 559 . 2 1 1 A 53 53 VAL H H 53 7.777 8.250 -0.473 1
1 560 . 2 1 1 A 53 53 VAL HA H 53 3.667 3.745 -0.078 1
1 568 . 2 1 1 A 53 53 VAL C C 53 177.379 178.179 -0.800 1
1 569 . 2 1 1 A 53 53 VAL CA C 53 67.004 66.866 0.138 1
1 570 . 2 1 1 A 53 53 VAL CB C 53 32.237 31.689 0.548 1
1 573 . 2 1 1 A 53 53 VAL N N 53 119.215 119.370 -0.155 1
1 574 . 2 1 1 A 54 54 TRP H H 54 8.177 8.601 -0.424 1
1 575 . 2 1 1 A 54 54 TRP HA H 54 4.074 4.154 -0.080 1
1 584 . 2 1 1 A 54 54 TRP C C 54 179.589 178.268 1.321 1
1 585 . 2 1 1 A 54 54 TRP CA C 54 63.273 61.110 2.163 1
1 586 . 2 1 1 A 54 54 TRP CB C 54 28.458 29.767 -1.309 1
1 592 . 2 1 1 A 54 54 TRP N N 54 120.980 121.334 -0.354 1
1 594 . 2 1 1 A 55 55 PHE H H 55 8.755 8.233 0.522 1
1 595 . 2 1 1 A 55 55 PHE HA H 55 3.626 4.407 -0.781 1
1 603 . 2 1 1 A 55 55 PHE C C 55 177.937 178.563 -0.626 1
1 604 . 2 1 1 A 55 55 PHE CA C 55 64.064 61.415 2.649 1
1 605 . 2 1 1 A 55 55 PHE CB C 55 39.579 38.823 0.756 1
1 611 . 2 1 1 A 55 55 PHE N N 55 118.177 117.830 0.347 1
1 612 . 2 1 1 A 56 56 LYS H H 56 8.169 8.267 -0.098 1
1 613 . 2 1 1 A 56 56 LYS HA H 56 3.914 4.024 -0.110 1
1 620 . 2 1 1 A 56 56 LYS C C 56 179.929 179.461 0.468 1
1 621 . 2 1 1 A 56 56 LYS CA C 56 60.488 59.653 0.835 1
1 622 . 2 1 1 A 56 56 LYS CB C 56 32.243 32.395 -0.152 1
1 626 . 2 1 1 A 56 56 LYS N N 56 119.649 118.125 1.524 1
1 627 . 2 1 1 A 57 57 ASN H H 57 8.238 8.340 -0.102 1
1 628 . 2 1 1 A 57 57 ASN HA H 57 4.345 4.447 -0.102 1
1 633 . 2 1 1 A 57 57 ASN C C 57 177.379 177.888 -0.509 1
1 634 . 2 1 1 A 57 57 ASN CA C 57 55.515 55.930 -0.415 1
1 635 . 2 1 1 A 57 57 ASN CB C 57 37.887 38.191 -0.304 1
1 636 . 2 1 1 A 57 57 ASN N N 57 118.635 118.637 -0.002 1
1 638 . 2 1 1 A 58 58 ARG H H 58 8.347 7.944 0.403 1
1 639 . 2 1 1 A 58 58 ARG HA H 58 3.419 3.483 -0.064 1
1 646 . 2 1 1 A 58 58 ARG C C 58 179.637 178.078 1.559 1
1 647 . 2 1 1 A 58 58 ARG CA C 58 56.820 59.391 -2.571 1
1 648 . 2 1 1 A 58 58 ARG CB C 58 28.359 28.964 -0.605 1
1 651 . 2 1 1 A 58 58 ARG N N 58 123.884 119.072 4.812 1
1 652 . 2 1 1 A 59 59 ARG H H 59 8.184 8.032 0.152 1
1 653 . 2 1 1 A 59 59 ARG HA H 59 4.124 4.099 0.025 1
1 659 . 2 1 1 A 59 59 ARG C C 59 178.836 178.424 0.412 1
1 660 . 2 1 1 A 59 59 ARG CA C 59 60.478 59.613 0.865 1
1 661 . 2 1 1 A 59 59 ARG CB C 59 31.667 30.251 1.416 1
1 664 . 2 1 1 A 59 59 ARG N N 59 117.828 119.863 -2.035 1
1 665 . 2 1 1 A 60 60 ALA H H 60 7.407 7.662 -0.255 1
1 666 . 2 1 1 A 60 60 ALA HA H 60 4.183 4.065 0.118 1
1 670 . 2 1 1 A 60 60 ALA C C 60 179.370 179.364 0.006 1
1 671 . 2 1 1 A 60 60 ALA CA C 60 54.509 55.061 -0.552 1
1 672 . 2 1 1 A 60 60 ALA CB C 60 18.207 18.555 -0.348 1
1 673 . 2 1 1 A 60 60 ALA N N 60 121.238 120.536 0.702 1
1 674 . 2 1 1 A 61 61 LYS H H 61 7.564 8.339 -0.775 1
1 675 . 2 1 1 A 61 61 LYS HA H 61 4.143 3.885 0.258 1
1 684 . 2 1 1 A 61 61 LYS C C 61 177.767 178.291 -0.524 1
1 685 . 2 1 1 A 61 61 LYS CA C 61 57.671 59.500 -1.829 1
1 686 . 2 1 1 A 61 61 LYS CB C 61 32.490 32.169 0.321 1
1 690 . 2 1 1 A 61 61 LYS N N 61 118.322 117.828 0.494 1
1 691 . 2 1 1 A 62 62 CYS H H 62 7.725 8.517 -0.792 1
1 692 . 2 1 1 A 62 62 CYS HA H 62 4.401 4.170 0.231 1
1 695 . 2 1 1 A 62 62 CYS C C 62 175.752 176.899 -1.147 1
1 696 . 2 1 1 A 62 62 CYS CA C 62 60.540 62.188 -1.648 1
1 697 . 2 1 1 A 62 62 CYS CB C 62 27.654 27.452 0.202 1
1 698 . 2 1 1 A 62 62 CYS N N 62 117.981 117.598 0.383 1
1 699 . 2 1 1 A 63 63 ARG H H 63 8.044 8.474 -0.430 1
1 700 . 2 1 1 A 63 63 ARG HA H 63 4.273 3.964 0.309 1
1 705 . 2 1 1 A 63 63 ARG C C 63 177.233 178.167 -0.934 1
1 706 . 2 1 1 A 63 63 ARG CA C 63 57.631 59.675 -2.044 1
1 707 . 2 1 1 A 63 63 ARG CB C 63 30.347 29.881 0.466 1
1 710 . 2 1 1 A 63 63 ARG N N 63 121.313 121.488 -0.175 1
1 711 . 2 1 1 A 64 64 GLN H H 64 8.217 7.874 0.343 1
1 712 . 2 1 1 A 64 64 GLN HA H 64 4.262 3.942 0.320 1
1 718 . 2 1 1 A 64 64 GLN C C 64 176.942 175.796 1.146 1
1 719 . 2 1 1 A 64 64 GLN CA C 64 57.172 59.076 -1.904 1
1 720 . 2 1 1 A 64 64 GLN CB C 64 29.129 28.514 0.615 1
1 722 . 2 1 1 A 64 64 GLN N N 64 120.369 118.901 1.468 1
1 724 . 2 1 1 A 71 71 ASN CB C 71 37.967 38.571 -0.604 1
1 726 . 2 1 1 A 72 72 GLY HA2 H 72 3.984 4.162 -0.178 1
1 727 . 2 1 1 A 72 72 GLY HA3 H 72 3.984 4.162 -0.178 1
1 728 . 2 1 1 A 72 72 GLY C C 72 174.877 173.100 1.777 1
1 729 . 2 1 1 A 72 72 GLY CA C 72 45.604 45.441 0.163 1
1 730 . 2 1 1 A 73 73 GLY H H 73 8.288 8.753 -0.465 1
1 731 . 2 1 1 A 73 73 GLY HA2 H 73 3.986 3.980 0.006 1
1 732 . 2 1 1 A 73 73 GLY HA3 H 73 3.986 3.980 0.006 1
1 733 . 2 1 1 A 73 73 GLY C C 73 174.319 173.081 1.238 1
1 734 . 2 1 1 A 73 73 GLY CA C 73 45.322 45.554 -0.232 1
1 735 . 2 1 1 A 73 73 GLY N N 73 108.597 112.055 -3.458 1
1 736 . 2 1 1 A 74 74 GLN H H 74 8.281 8.714 -0.433 1
1 737 . 2 1 1 A 74 74 GLN HA H 74 4.413 5.092 -0.679 1
1 743 . 2 1 1 A 74 74 GLN C C 74 176.262 173.474 2.788 1
1 744 . 2 1 1 A 74 74 GLN CA C 74 55.973 54.487 1.486 1
1 745 . 2 1 1 A 74 74 GLN CB C 74 29.605 32.152 -2.547 1
1 747 . 2 1 1 A 74 74 GLN N N 74 119.866 118.267 1.599 1
1 749 . 2 1 1 A 75 75 SER H H 75 8.432 8.775 -0.343 1
1 750 . 2 1 1 A 75 75 SER HA H 75 4.524 5.194 -0.670 1
1 753 . 2 1 1 A 75 75 SER C C 75 174.586 173.819 0.767 1
1 754 . 2 1 1 A 75 75 SER CA C 75 58.513 57.344 1.169 1
1 755 . 2 1 1 A 75 75 SER CB C 75 64.061 65.351 -1.290 1
1 756 . 2 1 1 A 75 75 SER N N 75 117.073 119.007 -1.934 1
1 757 . 2 1 1 A 76 76 GLY H H 76 8.244 8.894 -0.650 1
1 758 . 2 1 1 A 76 76 GLY HA2 H 76 4.171 4.580 -0.409 1
1 759 . 2 1 1 A 76 76 GLY HA3 H 76 4.102 4.581 -0.479 1
1 760 . 2 1 1 A 76 76 GLY C C 76 171.842 173.736 -1.894 1
1 761 . 2 1 1 A 76 76 GLY CA C 76 44.617 46.409 -1.792 1
1 762 . 2 1 1 A 76 76 GLY N N 76 110.727 115.062 -4.335 1
1 763 . 2 1 1 A 77 77 PRO HA H 77 4.494 4.524 -0.030 1
1 770 . 2 1 1 A 77 77 PRO C C 77 177.476 176.431 1.045 1
1 771 . 2 1 1 A 77 77 PRO CA C 77 63.380 64.634 -1.254 1
1 772 . 2 1 1 A 77 77 PRO CB C 77 32.231 32.139 0.092 1
1 775 . 2 1 1 A 78 78 SER H H 78 8.526 7.725 0.801 1
1 776 . 2 1 1 A 78 78 SER HA H 78 4.514 4.824 -0.310 1
1 779 . 2 1 1 A 78 78 SER C C 78 174.756 172.666 2.090 1
1 780 . 2 1 1 A 78 78 SER CA C 78 58.513 57.038 1.475 1
1 781 . 2 1 1 A 78 78 SER CB C 78 63.896 63.320 0.576 1
1 782 . 2 1 1 A 78 78 SER N N 78 116.438 112.564 3.874 1
1 783 . 2 1 1 A 79 79 SER H H 79 8.329 8.899 -0.570 1
1 784 . 2 1 1 A 79 79 SER HA H 79 4.502 4.868 -0.366 1
1 787 . 2 1 1 A 79 79 SER C C 79 173.954 173.573 0.381 1
1 788 . 2 1 1 A 79 79 SER CA C 79 58.477 56.773 1.704 1
1 789 . 2 1 1 A 79 79 SER CB C 79 64.019 65.972 -1.953 1
1 790 . 2 1 1 A 79 79 SER N N 79 117.859 121.579 -3.720 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.978 4.049 -0.071 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.978 4.050 -0.072 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.149 173.466 0.683 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.393 45.919 -0.526 1
1 5 . 3 1 1 A 8 8 ARG H H 8 8.135 7.920 0.215 1
1 6 . 3 1 1 A 8 8 ARG C C 8 176.480 174.910 1.570 1
1 7 . 3 1 1 A 8 8 ARG CA C 8 56.589 55.599 0.990 1
1 8 . 3 1 1 A 8 8 ARG CB C 8 30.686 30.532 0.154 1
1 11 . 3 1 1 A 8 8 ARG N N 8 120.720 119.091 1.629 1
1 12 . 3 1 1 A 9 9 ARG H H 9 8.471 8.608 -0.137 1
1 13 . 3 1 1 A 9 9 ARG HA H 9 4.288 4.469 -0.181 1
1 14 . 3 1 1 A 9 9 ARG C C 9 176.504 176.610 -0.106 1
1 15 . 3 1 1 A 9 9 ARG CA C 9 56.432 55.595 0.837 1
1 16 . 3 1 1 A 9 9 ARG CB C 9 30.466 29.640 0.826 1
1 17 . 3 1 1 A 9 9 ARG N N 9 122.487 125.969 -3.482 1
1 18 . 3 1 1 A 13 13 THR HA H 13 4.365 4.615 -0.250 1
1 23 . 3 1 1 A 13 13 THR C C 13 173.954 173.313 0.641 1
1 24 . 3 1 1 A 13 13 THR CA C 13 61.440 61.086 0.354 1
1 25 . 3 1 1 A 13 13 THR CB C 13 70.210 72.679 -2.469 1
1 27 . 3 1 1 A 14 14 PHE H H 14 8.297 9.161 -0.864 1
1 28 . 3 1 1 A 14 14 PHE HA H 14 4.941 4.905 0.036 1
1 36 . 3 1 1 A 14 14 PHE C C 14 176.650 175.779 0.871 1
1 37 . 3 1 1 A 14 14 PHE CA C 14 57.077 58.392 -1.315 1
1 38 . 3 1 1 A 14 14 PHE CB C 14 41.503 39.305 2.198 1
1 44 . 3 1 1 A 14 14 PHE N N 14 121.677 122.566 -0.889 1
1 45 . 3 1 1 A 15 15 THR H H 15 9.009 8.698 0.311 1
1 46 . 3 1 1 A 15 15 THR HA H 15 4.493 4.559 -0.066 1
1 51 . 3 1 1 A 15 15 THR C C 15 175.314 175.966 -0.652 1
1 52 . 3 1 1 A 15 15 THR CA C 15 60.359 61.592 -1.233 1
1 53 . 3 1 1 A 15 15 THR CB C 15 70.902 69.617 1.285 1
1 55 . 3 1 1 A 15 15 THR N N 15 113.381 118.452 -5.071 1
1 56 . 3 1 1 A 16 16 ARG H H 16 8.882 9.000 -0.118 1
1 57 . 3 1 1 A 16 16 ARG HA H 16 3.986 3.989 -0.003 1
1 64 . 3 1 1 A 16 16 ARG C C 16 177.670 178.407 -0.737 1
1 65 . 3 1 1 A 16 16 ARG CA C 16 59.042 60.187 -1.145 1
1 66 . 3 1 1 A 16 16 ARG CB C 16 30.100 30.004 0.096 1
1 69 . 3 1 1 A 16 16 ARG N N 16 122.206 127.856 -5.650 1
1 70 . 3 1 1 A 17 17 ALA H H 17 8.251 8.202 0.049 1
1 71 . 3 1 1 A 17 17 ALA HA H 17 4.159 4.021 0.138 1
1 75 . 3 1 1 A 17 17 ALA C C 17 181.386 180.001 1.385 1
1 76 . 3 1 1 A 17 17 ALA CA C 17 54.986 55.422 -0.436 1
1 77 . 3 1 1 A 17 17 ALA CB C 17 18.333 18.285 0.048 1
1 78 . 3 1 1 A 17 17 ALA N N 17 119.149 121.680 -2.531 1
1 79 . 3 1 1 A 18 18 GLN H H 18 7.533 8.361 -0.828 1
1 80 . 3 1 1 A 18 18 GLN HA H 18 3.858 4.042 -0.184 1
1 87 . 3 1 1 A 18 18 GLN C C 18 177.986 178.697 -0.711 1
1 88 . 3 1 1 A 18 18 GLN CA C 18 58.790 58.796 -0.006 1
1 89 . 3 1 1 A 18 18 GLN CB C 18 28.603 28.575 0.028 1
1 91 . 3 1 1 A 18 18 GLN N N 18 116.295 117.210 -0.915 1
1 93 . 3 1 1 A 19 19 LEU H H 19 8.417 8.432 -0.015 1
1 94 . 3 1 1 A 19 19 LEU HA H 19 3.547 4.029 -0.482 1
1 104 . 3 1 1 A 19 19 LEU C C 19 178.617 178.417 0.200 1
1 105 . 3 1 1 A 19 19 LEU CA C 19 57.745 57.040 0.705 1
1 106 . 3 1 1 A 19 19 LEU CB C 19 41.584 41.404 0.180 1
1 110 . 3 1 1 A 19 19 LEU N N 19 118.955 120.043 -1.088 1
1 111 . 3 1 1 A 20 20 ASP H H 20 8.537 8.563 -0.026 1
1 112 . 3 1 1 A 20 20 ASP HA H 20 4.291 4.351 -0.060 1
1 115 . 3 1 1 A 20 20 ASP C C 20 179.783 178.906 0.877 1
1 116 . 3 1 1 A 20 20 ASP CA C 20 57.666 57.469 0.197 1
1 117 . 3 1 1 A 20 20 ASP CB C 20 39.965 40.628 -0.663 1
1 118 . 3 1 1 A 20 20 ASP N N 20 118.356 120.253 -1.897 1
1 119 . 3 1 1 A 21 21 VAL H H 21 7.006 7.485 -0.479 1
1 120 . 3 1 1 A 21 21 VAL HA H 21 3.667 3.551 0.116 1
1 128 . 3 1 1 A 21 21 VAL C C 21 178.836 177.733 1.103 1
1 129 . 3 1 1 A 21 21 VAL CA C 21 66.062 66.295 -0.233 1
1 130 . 3 1 1 A 21 21 VAL CB C 21 32.006 31.658 0.348 1
1 133 . 3 1 1 A 21 21 VAL N N 21 120.507 119.837 0.670 1
1 134 . 3 1 1 A 22 22 LEU H H 22 7.638 7.806 -0.168 1
1 135 . 3 1 1 A 22 22 LEU HA H 22 3.557 3.661 -0.104 1
1 145 . 3 1 1 A 22 22 LEU C C 22 178.277 178.827 -0.550 1
1 146 . 3 1 1 A 22 22 LEU CA C 22 58.595 57.816 0.779 1
1 147 . 3 1 1 A 22 22 LEU CB C 22 38.402 40.622 -2.220 1
1 151 . 3 1 1 A 22 22 LEU N N 22 122.874 119.651 3.223 1
1 152 . 3 1 1 A 23 23 GLU H H 23 8.880 7.985 0.895 1
1 153 . 3 1 1 A 23 23 GLU HA H 23 4.162 4.106 0.056 1
1 157 . 3 1 1 A 23 23 GLU C C 23 180.123 178.979 1.144 1
1 158 . 3 1 1 A 23 23 GLU CA C 23 59.182 59.007 0.175 1
1 159 . 3 1 1 A 23 23 GLU CB C 23 29.111 29.770 -0.659 1
1 161 . 3 1 1 A 23 23 GLU N N 23 117.314 117.539 -0.225 1
1 162 . 3 1 1 A 24 24 ALA H H 24 7.614 7.822 -0.208 1
1 163 . 3 1 1 A 24 24 ALA HA H 24 4.273 4.072 0.201 1
1 167 . 3 1 1 A 24 24 ALA C C 24 180.560 179.637 0.923 1
1 168 . 3 1 1 A 24 24 ALA CA C 24 55.023 54.888 0.135 1
1 169 . 3 1 1 A 24 24 ALA CB C 24 17.775 18.727 -0.952 1
1 170 . 3 1 1 A 24 24 ALA N N 24 122.032 122.560 -0.528 1
1 171 . 3 1 1 A 25 25 LEU H H 25 7.673 8.047 -0.374 1
1 172 . 3 1 1 A 25 25 LEU HA H 25 4.507 4.157 0.350 1
1 182 . 3 1 1 A 25 25 LEU C C 25 177.694 178.377 -0.683 1
1 183 . 3 1 1 A 25 25 LEU CA C 25 57.913 57.325 0.588 1
1 184 . 3 1 1 A 25 25 LEU CB C 25 40.753 41.696 -0.943 1
1 188 . 3 1 1 A 25 25 LEU N N 25 120.067 120.005 0.062 1
1 189 . 3 1 1 A 26 26 PHE H H 26 8.839 8.297 0.542 1
1 190 . 3 1 1 A 26 26 PHE HA H 26 4.765 4.170 0.595 1
1 198 . 3 1 1 A 26 26 PHE C C 26 175.800 177.687 -1.887 1
1 199 . 3 1 1 A 26 26 PHE CA C 26 61.017 59.948 1.069 1
1 200 . 3 1 1 A 26 26 PHE CB C 26 39.167 39.506 -0.339 1
1 206 . 3 1 1 A 26 26 PHE N N 26 121.428 119.801 1.627 1
1 207 . 3 1 1 A 27 27 ALA H H 27 7.825 7.775 0.050 1
1 208 . 3 1 1 A 27 27 ALA HA H 27 4.062 4.095 -0.033 1
1 212 . 3 1 1 A 27 27 ALA C C 27 179.273 178.902 0.371 1
1 213 . 3 1 1 A 27 27 ALA CA C 27 53.975 53.825 0.150 1
1 214 . 3 1 1 A 27 27 ALA CB C 27 18.276 18.842 -0.566 1
1 215 . 3 1 1 A 27 27 ALA N N 27 116.175 121.382 -5.207 1
1 216 . 3 1 1 A 28 28 LYS H H 28 7.618 7.767 -0.149 1
1 217 . 3 1 1 A 28 28 LYS HA H 28 4.251 4.268 -0.017 1
1 225 . 3 1 1 A 28 28 LYS C C 28 177.354 176.082 1.272 1
1 226 . 3 1 1 A 28 28 LYS CA C 28 58.122 58.336 -0.214 1
1 227 . 3 1 1 A 28 28 LYS CB C 28 33.315 32.903 0.412 1
1 231 . 3 1 1 A 28 28 LYS N N 28 118.586 114.033 4.553 1
1 232 . 3 1 1 A 29 29 THR H H 29 8.820 7.576 1.244 1
1 233 . 3 1 1 A 29 29 THR HA H 29 4.410 4.619 -0.209 1
1 238 . 3 1 1 A 29 29 THR C C 29 170.360 174.171 -3.811 1
1 239 . 3 1 1 A 29 29 THR CA C 29 59.749 60.814 -1.065 1
1 240 . 3 1 1 A 29 29 THR CB C 29 68.972 71.204 -2.232 1
1 242 . 3 1 1 A 29 29 THR N N 29 116.094 112.784 3.310 1
1 243 . 3 1 1 A 30 30 ARG H H 30 8.203 8.425 -0.222 1
1 244 . 3 1 1 A 30 30 ARG HA H 30 3.957 4.034 -0.077 1
1 251 . 3 1 1 A 30 30 ARG C C 30 175.120 175.644 -0.524 1
1 252 . 3 1 1 A 30 30 ARG CA C 30 56.750 58.159 -1.409 1
1 253 . 3 1 1 A 30 30 ARG CB C 30 30.444 29.850 0.594 1
1 256 . 3 1 1 A 30 30 ARG N N 30 122.783 126.981 -4.198 1
1 257 . 3 1 1 A 31 31 TYR H H 31 8.002 7.778 0.224 1
1 258 . 3 1 1 A 31 31 TYR HA H 31 4.686 5.115 -0.429 1
1 265 . 3 1 1 A 31 31 TYR C C 31 172.910 172.788 0.122 1
1 266 . 3 1 1 A 31 31 TYR CA C 31 55.303 54.847 0.456 1
1 267 . 3 1 1 A 31 31 TYR CB C 31 39.057 38.470 0.587 1
1 272 . 3 1 1 A 31 31 TYR N N 31 114.710 117.180 -2.470 1
1 273 . 3 1 1 A 32 32 PRO HA H 32 4.427 4.632 -0.205 1
1 280 . 3 1 1 A 32 32 PRO C C 32 177.257 176.023 1.234 1
1 281 . 3 1 1 A 32 32 PRO CA C 32 62.838 63.035 -0.197 1
1 282 . 3 1 1 A 32 32 PRO CB C 32 32.082 32.040 0.042 1
1 285 . 3 1 1 A 33 33 ASP H H 33 7.804 8.654 -0.850 1
1 286 . 3 1 1 A 33 33 ASP HA H 33 4.509 4.819 -0.310 1
1 289 . 3 1 1 A 33 33 ASP C C 33 176.286 176.986 -0.700 1
1 290 . 3 1 1 A 33 33 ASP CA C 33 52.894 53.169 -0.275 1
1 291 . 3 1 1 A 33 33 ASP CB C 33 41.475 42.413 -0.938 1
1 292 . 3 1 1 A 33 33 ASP N N 33 123.553 121.760 1.793 1
1 293 . 3 1 1 A 34 34 ILE H H 34 8.429 8.604 -0.175 1
1 294 . 3 1 1 A 34 34 ILE HA H 34 3.700 3.834 -0.134 1
1 304 . 3 1 1 A 34 34 ILE C C 34 175.412 177.758 -2.346 1
1 305 . 3 1 1 A 34 34 ILE CA C 34 63.602 64.240 -0.638 1
1 306 . 3 1 1 A 34 34 ILE CB C 34 37.846 37.557 0.289 1
1 310 . 3 1 1 A 34 34 ILE N N 34 117.269 125.048 -7.779 1
1 311 . 3 1 1 A 35 35 PHE H H 35 7.086 8.015 -0.929 1
1 312 . 3 1 1 A 35 35 PHE HA H 35 4.287 4.350 -0.063 1
1 320 . 3 1 1 A 35 35 PHE C C 35 179.589 178.260 1.329 1
1 321 . 3 1 1 A 35 35 PHE CA C 35 60.676 60.442 0.234 1
1 322 . 3 1 1 A 35 35 PHE CB C 35 37.731 38.873 -1.142 1
1 328 . 3 1 1 A 35 35 PHE N N 35 121.852 120.922 0.930 1
1 329 . 3 1 1 A 36 36 MET H H 36 8.559 8.261 0.298 1
1 330 . 3 1 1 A 36 36 MET HA H 36 4.216 4.018 0.198 1
1 338 . 3 1 1 A 36 36 MET C C 36 179.904 178.689 1.215 1
1 339 . 3 1 1 A 36 36 MET CA C 36 58.849 59.218 -0.369 1
1 340 . 3 1 1 A 36 36 MET CB C 36 33.757 32.610 1.147 1
1 343 . 3 1 1 A 36 36 MET N N 36 120.502 117.508 2.994 1
1 344 . 3 1 1 A 37 37 ARG H H 37 8.495 8.149 0.346 1
1 345 . 3 1 1 A 37 37 ARG HA H 37 3.839 3.978 -0.139 1
1 352 . 3 1 1 A 37 37 ARG C C 37 178.326 179.181 -0.855 1
1 353 . 3 1 1 A 37 37 ARG CA C 37 60.738 59.862 0.876 1
1 354 . 3 1 1 A 37 37 ARG CB C 37 31.601 29.987 1.614 1
1 357 . 3 1 1 A 37 37 ARG N N 37 117.379 118.974 -1.595 1
1 358 . 3 1 1 A 38 38 GLU H H 38 8.793 8.488 0.305 1
1 359 . 3 1 1 A 38 38 GLU HA H 38 4.028 4.080 -0.052 1
1 364 . 3 1 1 A 38 38 GLU C C 38 179.079 179.039 0.040 1
1 365 . 3 1 1 A 38 38 GLU CA C 38 59.682 59.200 0.482 1
1 366 . 3 1 1 A 38 38 GLU CB C 38 29.555 29.257 0.298 1
1 368 . 3 1 1 A 38 38 GLU N N 38 119.411 119.587 -0.176 1
1 369 . 3 1 1 A 39 39 GLU H H 39 7.909 8.310 -0.401 1
1 370 . 3 1 1 A 39 39 GLU HA H 39 4.090 4.114 -0.024 1
1 375 . 3 1 1 A 39 39 GLU C C 39 179.662 178.636 1.026 1
1 376 . 3 1 1 A 39 39 GLU CA C 39 59.776 59.262 0.514 1
1 377 . 3 1 1 A 39 39 GLU CB C 39 29.688 29.483 0.205 1
1 379 . 3 1 1 A 39 39 GLU N N 39 119.625 120.684 -1.059 1
1 380 . 3 1 1 A 40 40 VAL H H 40 7.732 8.020 -0.288 1
1 381 . 3 1 1 A 40 40 VAL HA H 40 3.836 3.592 0.244 1
1 389 . 3 1 1 A 40 40 VAL C C 40 176.674 178.207 -1.533 1
1 390 . 3 1 1 A 40 40 VAL CA C 40 65.856 66.784 -0.928 1
1 391 . 3 1 1 A 40 40 VAL CB C 40 31.416 31.533 -0.117 1
1 394 . 3 1 1 A 40 40 VAL N N 40 118.226 119.732 -1.506 1
1 395 . 3 1 1 A 41 41 ALA H H 41 8.405 8.239 0.166 1
1 396 . 3 1 1 A 41 41 ALA HA H 41 3.843 4.038 -0.195 1
1 400 . 3 1 1 A 41 41 ALA C C 41 179.856 178.736 1.120 1
1 401 . 3 1 1 A 41 41 ALA CA C 41 56.009 54.416 1.593 1
1 402 . 3 1 1 A 41 41 ALA CB C 41 17.646 18.628 -0.982 1
1 403 . 3 1 1 A 41 41 ALA N N 41 124.532 121.046 3.486 1
1 404 . 3 1 1 A 42 42 LEU H H 42 7.711 7.517 0.194 1
1 405 . 3 1 1 A 42 42 LEU HA H 42 4.199 4.244 -0.045 1
1 415 . 3 1 1 A 42 42 LEU C C 42 180.317 178.793 1.524 1
1 416 . 3 1 1 A 42 42 LEU CA C 42 57.484 55.847 1.637 1
1 417 . 3 1 1 A 42 42 LEU CB C 42 42.346 42.170 0.176 1
1 421 . 3 1 1 A 42 42 LEU N N 42 116.217 117.571 -1.354 1
1 422 . 3 1 1 A 43 43 LYS H H 43 7.615 8.227 -0.612 1
1 423 . 3 1 1 A 43 43 LYS HA H 43 4.133 4.082 0.051 1
1 432 . 3 1 1 A 43 43 LYS C C 43 178.933 179.179 -0.246 1
1 433 . 3 1 1 A 43 43 LYS CA C 43 59.269 59.139 0.130 1
1 434 . 3 1 1 A 43 43 LYS CB C 43 33.232 32.660 0.572 1
1 438 . 3 1 1 A 43 43 LYS N N 43 118.909 120.749 -1.840 1
1 439 . 3 1 1 A 44 44 ILE H H 44 8.057 8.103 -0.046 1
1 440 . 3 1 1 A 44 44 ILE HA H 44 4.638 4.100 0.538 1
1 450 . 3 1 1 A 44 44 ILE C C 44 174.853 175.478 -0.625 1
1 451 . 3 1 1 A 44 44 ILE CA C 44 60.676 61.312 -0.636 1
1 452 . 3 1 1 A 44 44 ILE CB C 44 38.258 37.487 0.771 1
1 456 . 3 1 1 A 44 44 ILE N N 44 108.541 114.004 -5.463 1
1 457 . 3 1 1 A 45 45 ASN H H 45 7.885 8.003 -0.118 1
1 458 . 3 1 1 A 45 45 ASN HA H 45 4.400 4.295 0.105 1
1 463 . 3 1 1 A 45 45 ASN C C 45 173.857 173.750 0.107 1
1 464 . 3 1 1 A 45 45 ASN CA C 45 54.104 54.437 -0.333 1
1 465 . 3 1 1 A 45 45 ASN CB C 45 37.082 36.670 0.412 1
1 466 . 3 1 1 A 45 45 ASN N N 45 119.396 117.028 2.368 1
1 468 . 3 1 1 A 46 46 LEU H H 46 8.195 7.737 0.458 1
1 469 . 3 1 1 A 46 46 LEU HA H 46 4.961 4.790 0.171 1
1 479 . 3 1 1 A 46 46 LEU CA C 46 52.101 51.471 0.630 1
1 480 . 3 1 1 A 46 46 LEU CB C 46 46.563 45.192 1.371 1
1 484 . 3 1 1 A 46 46 LEU N N 46 119.142 119.039 0.103 1
1 485 . 3 1 1 A 47 47 PRO HA H 47 4.547 4.680 -0.133 1
1 492 . 3 1 1 A 47 47 PRO C C 47 178.350 177.838 0.512 1
1 493 . 3 1 1 A 47 47 PRO CA C 47 62.434 62.884 -0.450 1
1 494 . 3 1 1 A 47 47 PRO CB C 47 32.295 31.666 0.629 1
1 497 . 3 1 1 A 48 48 GLU H H 48 9.242 9.068 0.174 1
1 498 . 3 1 1 A 48 48 GLU HA H 48 3.689 4.018 -0.329 1
1 503 . 3 1 1 A 48 48 GLU C C 48 178.326 178.214 0.112 1
1 504 . 3 1 1 A 48 48 GLU CA C 48 61.058 59.637 1.421 1
1 505 . 3 1 1 A 48 48 GLU CB C 48 28.537 29.554 -1.017 1
1 507 . 3 1 1 A 48 48 GLU N N 48 125.487 125.293 0.194 1
1 508 . 3 1 1 A 49 49 SER H H 49 8.653 7.961 0.692 1
1 509 . 3 1 1 A 49 49 SER HA H 49 4.058 4.216 -0.158 1
1 512 . 3 1 1 A 49 49 SER C C 49 177.549 177.496 0.053 1
1 513 . 3 1 1 A 49 49 SER CA C 49 61.266 61.445 -0.179 1
1 514 . 3 1 1 A 49 49 SER CB C 49 61.658 62.970 -1.312 1
1 515 . 3 1 1 A 49 49 SER N N 49 113.467 114.833 -1.366 1
1 516 . 3 1 1 A 50 50 ARG H H 50 7.489 8.361 -0.872 1
1 517 . 3 1 1 A 50 50 ARG HA H 50 4.344 4.294 0.050 1
1 524 . 3 1 1 A 50 50 ARG C C 50 179.467 179.092 0.375 1
1 525 . 3 1 1 A 50 50 ARG CA C 50 57.575 58.773 -1.198 1
1 526 . 3 1 1 A 50 50 ARG CB C 50 29.523 30.180 -0.657 1
1 529 . 3 1 1 A 50 50 ARG N N 50 120.329 121.616 -1.287 1
1 530 . 3 1 1 A 51 51 VAL H H 51 7.598 7.267 0.331 1
1 531 . 3 1 1 A 51 51 VAL HA H 51 3.733 3.913 -0.180 1
1 539 . 3 1 1 A 51 51 VAL C C 51 177.767 177.985 -0.218 1
1 540 . 3 1 1 A 51 51 VAL CA C 51 67.082 66.117 0.965 1
1 541 . 3 1 1 A 51 51 VAL CB C 51 31.945 31.799 0.146 1
1 544 . 3 1 1 A 51 51 VAL N N 51 121.456 119.977 1.479 1
1 545 . 3 1 1 A 52 52 GLN H H 52 8.579 8.259 0.320 1
1 546 . 3 1 1 A 52 52 GLN HA H 52 4.338 3.865 0.473 1
1 553 . 3 1 1 A 52 52 GLN C C 52 178.836 178.594 0.242 1
1 554 . 3 1 1 A 52 52 GLN CA C 52 60.257 59.177 1.080 1
1 555 . 3 1 1 A 52 52 GLN CB C 52 28.377 28.080 0.297 1
1 557 . 3 1 1 A 52 52 GLN N N 52 119.679 119.813 -0.134 1
1 559 . 3 1 1 A 53 53 VAL H H 53 7.777 8.008 -0.231 1
1 560 . 3 1 1 A 53 53 VAL HA H 53 3.667 3.681 -0.014 1
1 568 . 3 1 1 A 53 53 VAL C C 53 177.379 178.082 -0.703 1
1 569 . 3 1 1 A 53 53 VAL CA C 53 67.004 66.567 0.437 1
1 570 . 3 1 1 A 53 53 VAL CB C 53 32.237 31.838 0.399 1
1 573 . 3 1 1 A 53 53 VAL N N 53 119.215 119.216 -0.001 1
1 574 . 3 1 1 A 54 54 TRP H H 54 8.177 8.230 -0.053 1
1 575 . 3 1 1 A 54 54 TRP HA H 54 4.074 4.178 -0.104 1
1 584 . 3 1 1 A 54 54 TRP C C 54 179.589 178.097 1.492 1
1 585 . 3 1 1 A 54 54 TRP CA C 54 63.273 60.587 2.686 1
1 586 . 3 1 1 A 54 54 TRP CB C 54 28.458 29.810 -1.352 1
1 592 . 3 1 1 A 54 54 TRP N N 54 120.980 120.944 0.036 1
1 594 . 3 1 1 A 55 55 PHE H H 55 8.755 7.868 0.887 1
1 595 . 3 1 1 A 55 55 PHE HA H 55 3.626 4.273 -0.647 1
1 603 . 3 1 1 A 55 55 PHE C C 55 177.937 178.785 -0.848 1
1 604 . 3 1 1 A 55 55 PHE CA C 55 64.064 61.614 2.450 1
1 605 . 3 1 1 A 55 55 PHE CB C 55 39.579 39.547 0.032 1
1 611 . 3 1 1 A 55 55 PHE N N 55 118.177 116.920 1.257 1
1 612 . 3 1 1 A 56 56 LYS H H 56 8.169 8.262 -0.093 1
1 613 . 3 1 1 A 56 56 LYS HA H 56 3.914 4.119 -0.205 1
1 620 . 3 1 1 A 56 56 LYS C C 56 179.929 178.729 1.200 1
1 621 . 3 1 1 A 56 56 LYS CA C 56 60.488 58.755 1.733 1
1 622 . 3 1 1 A 56 56 LYS CB C 56 32.243 31.549 0.694 1
1 626 . 3 1 1 A 56 56 LYS N N 56 119.649 117.851 1.798 1
1 627 . 3 1 1 A 57 57 ASN H H 57 8.238 7.776 0.462 1
1 628 . 3 1 1 A 57 57 ASN HA H 57 4.345 4.440 -0.095 1
1 633 . 3 1 1 A 57 57 ASN C C 57 177.379 177.620 -0.241 1
1 634 . 3 1 1 A 57 57 ASN CA C 57 55.515 55.303 0.212 1
1 635 . 3 1 1 A 57 57 ASN CB C 57 37.887 38.505 -0.618 1
1 636 . 3 1 1 A 57 57 ASN N N 57 118.635 117.955 0.680 1
1 638 . 3 1 1 A 58 58 ARG H H 58 8.347 7.189 1.158 1
1 639 . 3 1 1 A 58 58 ARG HA H 58 3.419 3.469 -0.050 1
1 646 . 3 1 1 A 58 58 ARG C C 58 179.637 177.938 1.699 1
1 647 . 3 1 1 A 58 58 ARG CA C 58 56.820 59.168 -2.348 1
1 648 . 3 1 1 A 58 58 ARG CB C 58 28.359 28.921 -0.562 1
1 651 . 3 1 1 A 58 58 ARG N N 58 123.884 120.041 3.843 1
1 652 . 3 1 1 A 59 59 ARG H H 59 8.184 7.403 0.781 1
1 653 . 3 1 1 A 59 59 ARG HA H 59 4.124 4.045 0.079 1
1 659 . 3 1 1 A 59 59 ARG C C 59 178.836 178.309 0.527 1
1 660 . 3 1 1 A 59 59 ARG CA C 59 60.478 59.383 1.095 1
1 661 . 3 1 1 A 59 59 ARG CB C 59 31.667 30.132 1.535 1
1 664 . 3 1 1 A 59 59 ARG N N 59 117.828 118.750 -0.922 1
1 665 . 3 1 1 A 60 60 ALA H H 60 7.407 7.971 -0.564 1
1 666 . 3 1 1 A 60 60 ALA HA H 60 4.183 4.053 0.130 1
1 670 . 3 1 1 A 60 60 ALA C C 60 179.370 178.823 0.547 1
1 671 . 3 1 1 A 60 60 ALA CA C 60 54.509 54.945 -0.436 1
1 672 . 3 1 1 A 60 60 ALA CB C 60 18.207 18.426 -0.219 1
1 673 . 3 1 1 A 60 60 ALA N N 60 121.238 120.956 0.282 1
1 674 . 3 1 1 A 61 61 LYS H H 61 7.564 8.026 -0.462 1
1 675 . 3 1 1 A 61 61 LYS HA H 61 4.143 3.914 0.229 1
1 684 . 3 1 1 A 61 61 LYS C C 61 177.767 178.259 -0.492 1
1 685 . 3 1 1 A 61 61 LYS CA C 61 57.671 59.395 -1.724 1
1 686 . 3 1 1 A 61 61 LYS CB C 61 32.490 32.013 0.477 1
1 690 . 3 1 1 A 61 61 LYS N N 61 118.322 117.856 0.466 1
1 691 . 3 1 1 A 62 62 CYS H H 62 7.725 7.951 -0.226 1
1 692 . 3 1 1 A 62 62 CYS HA H 62 4.401 3.992 0.409 1
1 695 . 3 1 1 A 62 62 CYS C C 62 175.752 176.895 -1.143 1
1 696 . 3 1 1 A 62 62 CYS CA C 62 60.540 62.889 -2.349 1
1 697 . 3 1 1 A 62 62 CYS CB C 62 27.654 26.587 1.067 1
1 698 . 3 1 1 A 62 62 CYS N N 62 117.981 119.199 -1.218 1
1 699 . 3 1 1 A 63 63 ARG H H 63 8.044 7.543 0.501 1
1 700 . 3 1 1 A 63 63 ARG HA H 63 4.273 4.009 0.264 1
1 705 . 3 1 1 A 63 63 ARG C C 63 177.233 178.821 -1.588 1
1 706 . 3 1 1 A 63 63 ARG CA C 63 57.631 60.097 -2.466 1
1 707 . 3 1 1 A 63 63 ARG CB C 63 30.347 30.146 0.201 1
1 710 . 3 1 1 A 63 63 ARG N N 63 121.313 119.948 1.365 1
1 711 . 3 1 1 A 64 64 GLN H H 64 8.217 7.405 0.812 1
1 712 . 3 1 1 A 64 64 GLN HA H 64 4.262 3.977 0.285 1
1 718 . 3 1 1 A 64 64 GLN C C 64 176.942 175.737 1.205 1
1 719 . 3 1 1 A 64 64 GLN CA C 64 57.172 59.078 -1.906 1
1 720 . 3 1 1 A 64 64 GLN CB C 64 29.129 28.444 0.685 1
1 722 . 3 1 1 A 64 64 GLN N N 64 120.369 119.420 0.949 1
1 724 . 3 1 1 A 71 71 ASN CB C 71 37.967 39.411 -1.444 1
1 726 . 3 1 1 A 72 72 GLY HA2 H 72 3.984 4.221 -0.237 1
1 727 . 3 1 1 A 72 72 GLY HA3 H 72 3.984 4.221 -0.237 1
1 728 . 3 1 1 A 72 72 GLY C C 72 174.877 173.711 1.166 1
1 729 . 3 1 1 A 72 72 GLY CA C 72 45.604 44.639 0.965 1
1 730 . 3 1 1 A 73 73 GLY H H 73 8.288 8.341 -0.053 1
1 731 . 3 1 1 A 73 73 GLY HA2 H 73 3.986 4.090 -0.104 1
1 732 . 3 1 1 A 73 73 GLY HA3 H 73 3.986 4.090 -0.104 1
1 733 . 3 1 1 A 73 73 GLY C C 73 174.319 173.402 0.917 1
1 734 . 3 1 1 A 73 73 GLY CA C 73 45.322 44.603 0.719 1
1 735 . 3 1 1 A 73 73 GLY N N 73 108.597 106.733 1.864 1
1 736 . 3 1 1 A 74 74 GLN H H 74 8.281 8.249 0.032 1
1 737 . 3 1 1 A 74 74 GLN HA H 74 4.413 5.112 -0.699 1
1 743 . 3 1 1 A 74 74 GLN C C 74 176.262 173.727 2.535 1
1 744 . 3 1 1 A 74 74 GLN CA C 74 55.973 54.374 1.599 1
1 745 . 3 1 1 A 74 74 GLN CB C 74 29.605 31.849 -2.244 1
1 747 . 3 1 1 A 74 74 GLN N N 74 119.866 122.076 -2.210 1
1 749 . 3 1 1 A 75 75 SER H H 75 8.432 8.543 -0.111 1
1 750 . 3 1 1 A 75 75 SER HA H 75 4.524 4.848 -0.324 1
1 753 . 3 1 1 A 75 75 SER C C 75 174.586 173.511 1.075 1
1 754 . 3 1 1 A 75 75 SER CA C 75 58.513 56.314 2.199 1
1 755 . 3 1 1 A 75 75 SER CB C 75 64.061 65.961 -1.900 1
1 756 . 3 1 1 A 75 75 SER N N 75 117.073 115.082 1.991 1
1 757 . 3 1 1 A 76 76 GLY H H 76 8.244 8.640 -0.396 1
1 758 . 3 1 1 A 76 76 GLY HA2 H 76 4.171 4.009 0.162 1
1 759 . 3 1 1 A 76 76 GLY HA3 H 76 4.102 4.009 0.093 1
1 760 . 3 1 1 A 76 76 GLY C C 76 171.842 173.183 -1.341 1
1 761 . 3 1 1 A 76 76 GLY CA C 76 44.617 45.190 -0.573 1
1 762 . 3 1 1 A 76 76 GLY N N 76 110.727 112.968 -2.241 1
1 763 . 3 1 1 A 77 77 PRO HA H 77 4.494 4.575 -0.081 1
1 770 . 3 1 1 A 77 77 PRO C C 77 177.476 175.571 1.905 1
1 771 . 3 1 1 A 77 77 PRO CA C 77 63.380 62.455 0.925 1
1 772 . 3 1 1 A 77 77 PRO CB C 77 32.231 32.658 -0.427 1
1 775 . 3 1 1 A 78 78 SER H H 78 8.526 8.539 -0.013 1
1 776 . 3 1 1 A 78 78 SER HA H 78 4.514 4.868 -0.354 1
1 779 . 3 1 1 A 78 78 SER C C 78 174.756 175.451 -0.695 1
1 780 . 3 1 1 A 78 78 SER CA C 78 58.513 56.181 2.332 1
1 781 . 3 1 1 A 78 78 SER CB C 78 63.896 65.052 -1.156 1
1 782 . 3 1 1 A 78 78 SER N N 78 116.438 117.072 -0.634 1
1 783 . 3 1 1 A 79 79 SER H H 79 8.329 8.508 -0.179 1
1 784 . 3 1 1 A 79 79 SER HA H 79 4.502 4.430 0.072 1
1 787 . 3 1 1 A 79 79 SER C C 79 173.954 175.717 -1.763 1
1 788 . 3 1 1 A 79 79 SER CA C 79 58.477 59.153 -0.676 1
1 789 . 3 1 1 A 79 79 SER CB C 79 64.019 64.338 -0.319 1
1 790 . 3 1 1 A 79 79 SER N N 79 117.859 118.955 -1.096 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.978 4.030 -0.052 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.978 4.030 -0.052 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.149 173.084 1.065 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.393 45.373 0.020 1
1 5 . 4 1 1 A 8 8 ARG H H 8 8.135 8.531 -0.396 1
1 6 . 4 1 1 A 8 8 ARG C C 8 176.480 174.261 2.219 1
1 7 . 4 1 1 A 8 8 ARG CA C 8 56.589 54.190 2.399 1
1 8 . 4 1 1 A 8 8 ARG CB C 8 30.686 34.619 -3.933 1
1 11 . 4 1 1 A 8 8 ARG N N 8 120.720 124.580 -3.860 1
1 12 . 4 1 1 A 9 9 ARG H H 9 8.471 8.588 -0.117 1
1 13 . 4 1 1 A 9 9 ARG HA H 9 4.288 4.845 -0.557 1
1 14 . 4 1 1 A 9 9 ARG C C 9 176.504 175.055 1.449 1
1 15 . 4 1 1 A 9 9 ARG CA C 9 56.432 55.222 1.210 1
1 16 . 4 1 1 A 9 9 ARG CB C 9 30.466 31.059 -0.593 1
1 17 . 4 1 1 A 9 9 ARG N N 9 122.487 119.771 2.716 1
1 18 . 4 1 1 A 13 13 THR HA H 13 4.365 4.294 0.071 1
1 23 . 4 1 1 A 13 13 THR C C 13 173.954 173.921 0.033 1
1 24 . 4 1 1 A 13 13 THR CA C 13 61.440 62.830 -1.390 1
1 25 . 4 1 1 A 13 13 THR CB C 13 70.210 69.715 0.495 1
1 27 . 4 1 1 A 14 14 PHE H H 14 8.297 9.040 -0.743 1
1 28 . 4 1 1 A 14 14 PHE HA H 14 4.941 4.887 0.054 1
1 36 . 4 1 1 A 14 14 PHE C C 14 176.650 175.920 0.730 1
1 37 . 4 1 1 A 14 14 PHE CA C 14 57.077 57.317 -0.240 1
1 38 . 4 1 1 A 14 14 PHE CB C 14 41.503 40.093 1.410 1
1 44 . 4 1 1 A 14 14 PHE N N 14 121.677 126.193 -4.516 1
1 45 . 4 1 1 A 15 15 THR H H 15 9.009 8.693 0.316 1
1 46 . 4 1 1 A 15 15 THR HA H 15 4.493 4.593 -0.100 1
1 51 . 4 1 1 A 15 15 THR C C 15 175.314 175.922 -0.608 1
1 52 . 4 1 1 A 15 15 THR CA C 15 60.359 61.324 -0.965 1
1 53 . 4 1 1 A 15 15 THR CB C 15 70.902 69.753 1.149 1
1 55 . 4 1 1 A 15 15 THR N N 15 113.381 117.420 -4.039 1
1 56 . 4 1 1 A 16 16 ARG H H 16 8.882 8.975 -0.093 1
1 57 . 4 1 1 A 16 16 ARG HA H 16 3.986 3.940 0.046 1
1 64 . 4 1 1 A 16 16 ARG C C 16 177.670 178.038 -0.368 1
1 65 . 4 1 1 A 16 16 ARG CA C 16 59.042 60.151 -1.109 1
1 66 . 4 1 1 A 16 16 ARG CB C 16 30.100 30.141 -0.041 1
1 69 . 4 1 1 A 16 16 ARG N N 16 122.206 127.790 -5.584 1
1 70 . 4 1 1 A 17 17 ALA H H 17 8.251 8.081 0.170 1
1 71 . 4 1 1 A 17 17 ALA HA H 17 4.159 4.061 0.098 1
1 75 . 4 1 1 A 17 17 ALA C C 17 181.386 180.104 1.282 1
1 76 . 4 1 1 A 17 17 ALA CA C 17 54.986 55.358 -0.372 1
1 77 . 4 1 1 A 17 17 ALA CB C 17 18.333 18.007 0.326 1
1 78 . 4 1 1 A 17 17 ALA N N 17 119.149 121.587 -2.438 1
1 79 . 4 1 1 A 18 18 GLN H H 18 7.533 8.227 -0.694 1
1 80 . 4 1 1 A 18 18 GLN HA H 18 3.858 3.903 -0.045 1
1 87 . 4 1 1 A 18 18 GLN C C 18 177.986 178.549 -0.563 1
1 88 . 4 1 1 A 18 18 GLN CA C 18 58.790 59.088 -0.298 1
1 89 . 4 1 1 A 18 18 GLN CB C 18 28.603 28.192 0.411 1
1 91 . 4 1 1 A 18 18 GLN N N 18 116.295 117.400 -1.105 1
1 93 . 4 1 1 A 19 19 LEU H H 19 8.417 8.445 -0.028 1
1 94 . 4 1 1 A 19 19 LEU HA H 19 3.547 3.588 -0.041 1
1 104 . 4 1 1 A 19 19 LEU C C 19 178.617 178.348 0.269 1
1 105 . 4 1 1 A 19 19 LEU CA C 19 57.745 57.743 0.002 1
1 106 . 4 1 1 A 19 19 LEU CB C 19 41.584 41.797 -0.213 1
1 110 . 4 1 1 A 19 19 LEU N N 19 118.955 120.517 -1.562 1
1 111 . 4 1 1 A 20 20 ASP H H 20 8.537 8.295 0.242 1
1 112 . 4 1 1 A 20 20 ASP HA H 20 4.291 4.268 0.023 1
1 115 . 4 1 1 A 20 20 ASP C C 20 179.783 178.672 1.111 1
1 116 . 4 1 1 A 20 20 ASP CA C 20 57.666 57.173 0.493 1
1 117 . 4 1 1 A 20 20 ASP CB C 20 39.965 40.579 -0.614 1
1 118 . 4 1 1 A 20 20 ASP N N 20 118.356 118.378 -0.022 1
1 119 . 4 1 1 A 21 21 VAL H H 21 7.006 7.636 -0.630 1
1 120 . 4 1 1 A 21 21 VAL HA H 21 3.667 3.574 0.093 1
1 128 . 4 1 1 A 21 21 VAL C C 21 178.836 177.691 1.145 1
1 129 . 4 1 1 A 21 21 VAL CA C 21 66.062 66.444 -0.382 1
1 130 . 4 1 1 A 21 21 VAL CB C 21 32.006 31.740 0.266 1
1 133 . 4 1 1 A 21 21 VAL N N 21 120.507 119.115 1.392 1
1 134 . 4 1 1 A 22 22 LEU H H 22 7.638 8.120 -0.482 1
1 135 . 4 1 1 A 22 22 LEU HA H 22 3.557 3.692 -0.135 1
1 145 . 4 1 1 A 22 22 LEU C C 22 178.277 179.155 -0.878 1
1 146 . 4 1 1 A 22 22 LEU CA C 22 58.595 58.152 0.443 1
1 147 . 4 1 1 A 22 22 LEU CB C 22 38.402 40.763 -2.361 1
1 151 . 4 1 1 A 22 22 LEU N N 22 122.874 118.632 4.242 1
1 152 . 4 1 1 A 23 23 GLU H H 23 8.880 8.248 0.632 1
1 153 . 4 1 1 A 23 23 GLU HA H 23 4.162 4.132 0.030 1
1 157 . 4 1 1 A 23 23 GLU C C 23 180.123 178.784 1.339 1
1 158 . 4 1 1 A 23 23 GLU CA C 23 59.182 59.079 0.103 1
1 159 . 4 1 1 A 23 23 GLU CB C 23 29.111 29.863 -0.752 1
1 161 . 4 1 1 A 23 23 GLU N N 23 117.314 117.489 -0.175 1
1 162 . 4 1 1 A 24 24 ALA H H 24 7.614 8.007 -0.393 1
1 163 . 4 1 1 A 24 24 ALA HA H 24 4.273 4.087 0.186 1
1 167 . 4 1 1 A 24 24 ALA C C 24 180.560 179.658 0.902 1
1 168 . 4 1 1 A 24 24 ALA CA C 24 55.023 55.174 -0.151 1
1 169 . 4 1 1 A 24 24 ALA CB C 24 17.775 18.535 -0.760 1
1 170 . 4 1 1 A 24 24 ALA N N 24 122.032 122.526 -0.494 1
1 171 . 4 1 1 A 25 25 LEU H H 25 7.673 8.067 -0.394 1
1 172 . 4 1 1 A 25 25 LEU HA H 25 4.507 4.161 0.346 1
1 182 . 4 1 1 A 25 25 LEU C C 25 177.694 178.643 -0.949 1
1 183 . 4 1 1 A 25 25 LEU CA C 25 57.913 57.669 0.244 1
1 184 . 4 1 1 A 25 25 LEU CB C 25 40.753 41.516 -0.763 1
1 188 . 4 1 1 A 25 25 LEU N N 25 120.067 119.597 0.470 1
1 189 . 4 1 1 A 26 26 PHE H H 26 8.839 8.161 0.678 1
1 190 . 4 1 1 A 26 26 PHE HA H 26 4.765 4.475 0.290 1
1 198 . 4 1 1 A 26 26 PHE C C 26 175.800 178.021 -2.221 1
1 199 . 4 1 1 A 26 26 PHE CA C 26 61.017 60.956 0.061 1
1 200 . 4 1 1 A 26 26 PHE CB C 26 39.167 38.801 0.366 1
1 206 . 4 1 1 A 26 26 PHE N N 26 121.428 120.033 1.395 1
1 207 . 4 1 1 A 27 27 ALA H H 27 7.825 8.637 -0.812 1
1 208 . 4 1 1 A 27 27 ALA HA H 27 4.062 4.321 -0.259 1
1 212 . 4 1 1 A 27 27 ALA C C 27 179.273 178.802 0.471 1
1 213 . 4 1 1 A 27 27 ALA CA C 27 53.975 54.669 -0.694 1
1 214 . 4 1 1 A 27 27 ALA CB C 27 18.276 18.424 -0.148 1
1 215 . 4 1 1 A 27 27 ALA N N 27 116.175 121.329 -5.154 1
1 216 . 4 1 1 A 28 28 LYS H H 28 7.618 7.866 -0.248 1
1 217 . 4 1 1 A 28 28 LYS HA H 28 4.251 4.424 -0.173 1
1 225 . 4 1 1 A 28 28 LYS C C 28 177.354 176.199 1.155 1
1 226 . 4 1 1 A 28 28 LYS CA C 28 58.122 57.175 0.947 1
1 227 . 4 1 1 A 28 28 LYS CB C 28 33.315 33.748 -0.433 1
1 231 . 4 1 1 A 28 28 LYS N N 28 118.586 113.625 4.961 1
1 232 . 4 1 1 A 29 29 THR H H 29 8.820 7.593 1.227 1
1 233 . 4 1 1 A 29 29 THR HA H 29 4.410 4.549 -0.139 1
1 238 . 4 1 1 A 29 29 THR C C 29 170.360 174.189 -3.829 1
1 239 . 4 1 1 A 29 29 THR CA C 29 59.749 61.477 -1.728 1
1 240 . 4 1 1 A 29 29 THR CB C 29 68.972 70.985 -2.013 1
1 242 . 4 1 1 A 29 29 THR N N 29 116.094 113.154 2.940 1
1 243 . 4 1 1 A 30 30 ARG H H 30 8.203 8.249 -0.046 1
1 244 . 4 1 1 A 30 30 ARG HA H 30 3.957 3.174 0.783 1
1 251 . 4 1 1 A 30 30 ARG C C 30 175.120 175.577 -0.457 1
1 252 . 4 1 1 A 30 30 ARG CA C 30 56.750 59.030 -2.280 1
1 253 . 4 1 1 A 30 30 ARG CB C 30 30.444 29.538 0.906 1
1 256 . 4 1 1 A 30 30 ARG N N 30 122.783 126.981 -4.198 1
1 257 . 4 1 1 A 31 31 TYR H H 31 8.002 7.860 0.142 1
1 258 . 4 1 1 A 31 31 TYR HA H 31 4.686 5.039 -0.353 1
1 265 . 4 1 1 A 31 31 TYR C C 31 172.910 173.028 -0.118 1
1 266 . 4 1 1 A 31 31 TYR CA C 31 55.303 54.935 0.368 1
1 267 . 4 1 1 A 31 31 TYR CB C 31 39.057 38.590 0.467 1
1 272 . 4 1 1 A 31 31 TYR N N 31 114.710 116.878 -2.168 1
1 273 . 4 1 1 A 32 32 PRO HA H 32 4.427 4.472 -0.045 1
1 280 . 4 1 1 A 32 32 PRO C C 32 177.257 176.788 0.469 1
1 281 . 4 1 1 A 32 32 PRO CA C 32 62.838 62.873 -0.035 1
1 282 . 4 1 1 A 32 32 PRO CB C 32 32.082 32.174 -0.092 1
1 285 . 4 1 1 A 33 33 ASP H H 33 7.804 8.462 -0.658 1
1 286 . 4 1 1 A 33 33 ASP HA H 33 4.509 4.610 -0.101 1
1 289 . 4 1 1 A 33 33 ASP C C 33 176.286 177.508 -1.222 1
1 290 . 4 1 1 A 33 33 ASP CA C 33 52.894 55.115 -2.221 1
1 291 . 4 1 1 A 33 33 ASP CB C 33 41.475 41.578 -0.103 1
1 292 . 4 1 1 A 33 33 ASP N N 33 123.553 121.682 1.871 1
1 293 . 4 1 1 A 34 34 ILE H H 34 8.429 8.547 -0.118 1
1 294 . 4 1 1 A 34 34 ILE HA H 34 3.700 3.724 -0.024 1
1 304 . 4 1 1 A 34 34 ILE C C 34 175.412 177.523 -2.111 1
1 305 . 4 1 1 A 34 34 ILE CA C 34 63.602 64.708 -1.106 1
1 306 . 4 1 1 A 34 34 ILE CB C 34 37.846 37.592 0.254 1
1 310 . 4 1 1 A 34 34 ILE N N 34 117.269 125.835 -8.566 1
1 311 . 4 1 1 A 35 35 PHE H H 35 7.086 8.269 -1.183 1
1 312 . 4 1 1 A 35 35 PHE HA H 35 4.287 4.364 -0.077 1
1 320 . 4 1 1 A 35 35 PHE C C 35 179.589 178.366 1.223 1
1 321 . 4 1 1 A 35 35 PHE CA C 35 60.676 60.093 0.583 1
1 322 . 4 1 1 A 35 35 PHE CB C 35 37.731 38.597 -0.866 1
1 328 . 4 1 1 A 35 35 PHE N N 35 121.852 120.844 1.008 1
1 329 . 4 1 1 A 36 36 MET H H 36 8.559 8.524 0.035 1
1 330 . 4 1 1 A 36 36 MET HA H 36 4.216 4.040 0.176 1
1 338 . 4 1 1 A 36 36 MET C C 36 179.904 178.569 1.335 1
1 339 . 4 1 1 A 36 36 MET CA C 36 58.849 59.268 -0.419 1
1 340 . 4 1 1 A 36 36 MET CB C 36 33.757 32.655 1.102 1
1 343 . 4 1 1 A 36 36 MET N N 36 120.502 117.738 2.764 1
1 344 . 4 1 1 A 37 37 ARG H H 37 8.495 7.968 0.527 1
1 345 . 4 1 1 A 37 37 ARG HA H 37 3.839 3.940 -0.101 1
1 352 . 4 1 1 A 37 37 ARG C C 37 178.326 179.252 -0.926 1
1 353 . 4 1 1 A 37 37 ARG CA C 37 60.738 59.812 0.926 1
1 354 . 4 1 1 A 37 37 ARG CB C 37 31.601 30.014 1.587 1
1 357 . 4 1 1 A 37 37 ARG N N 37 117.379 118.903 -1.524 1
1 358 . 4 1 1 A 38 38 GLU H H 38 8.793 8.577 0.216 1
1 359 . 4 1 1 A 38 38 GLU HA H 38 4.028 4.063 -0.035 1
1 364 . 4 1 1 A 38 38 GLU C C 38 179.079 178.843 0.236 1
1 365 . 4 1 1 A 38 38 GLU CA C 38 59.682 59.138 0.544 1
1 366 . 4 1 1 A 38 38 GLU CB C 38 29.555 29.201 0.354 1
1 368 . 4 1 1 A 38 38 GLU N N 38 119.411 119.598 -0.187 1
1 369 . 4 1 1 A 39 39 GLU H H 39 7.909 8.007 -0.098 1
1 370 . 4 1 1 A 39 39 GLU HA H 39 4.090 4.109 -0.019 1
1 375 . 4 1 1 A 39 39 GLU C C 39 179.662 178.586 1.076 1
1 376 . 4 1 1 A 39 39 GLU CA C 39 59.776 59.368 0.408 1
1 377 . 4 1 1 A 39 39 GLU CB C 39 29.688 29.495 0.193 1
1 379 . 4 1 1 A 39 39 GLU N N 39 119.625 120.730 -1.105 1
1 380 . 4 1 1 A 40 40 VAL H H 40 7.732 8.011 -0.279 1
1 381 . 4 1 1 A 40 40 VAL HA H 40 3.836 3.604 0.232 1
1 389 . 4 1 1 A 40 40 VAL C C 40 176.674 178.222 -1.548 1
1 390 . 4 1 1 A 40 40 VAL CA C 40 65.856 66.791 -0.935 1
1 391 . 4 1 1 A 40 40 VAL CB C 40 31.416 31.568 -0.152 1
1 394 . 4 1 1 A 40 40 VAL N N 40 118.226 119.904 -1.678 1
1 395 . 4 1 1 A 41 41 ALA H H 41 8.405 8.332 0.073 1
1 396 . 4 1 1 A 41 41 ALA HA H 41 3.843 4.065 -0.222 1
1 400 . 4 1 1 A 41 41 ALA C C 41 179.856 178.670 1.186 1
1 401 . 4 1 1 A 41 41 ALA CA C 41 56.009 54.458 1.551 1
1 402 . 4 1 1 A 41 41 ALA CB C 41 17.646 18.446 -0.800 1
1 403 . 4 1 1 A 41 41 ALA N N 41 124.532 121.073 3.459 1
1 404 . 4 1 1 A 42 42 LEU H H 42 7.711 7.627 0.084 1
1 405 . 4 1 1 A 42 42 LEU HA H 42 4.199 4.242 -0.043 1
1 415 . 4 1 1 A 42 42 LEU C C 42 180.317 179.033 1.284 1
1 416 . 4 1 1 A 42 42 LEU CA C 42 57.484 56.389 1.095 1
1 417 . 4 1 1 A 42 42 LEU CB C 42 42.346 42.161 0.185 1
1 421 . 4 1 1 A 42 42 LEU N N 42 116.217 117.660 -1.443 1
1 422 . 4 1 1 A 43 43 LYS H H 43 7.615 8.342 -0.727 1
1 423 . 4 1 1 A 43 43 LYS HA H 43 4.133 4.068 0.065 1
1 432 . 4 1 1 A 43 43 LYS C C 43 178.933 179.222 -0.289 1
1 433 . 4 1 1 A 43 43 LYS CA C 43 59.269 59.235 0.034 1
1 434 . 4 1 1 A 43 43 LYS CB C 43 33.232 32.461 0.771 1
1 438 . 4 1 1 A 43 43 LYS N N 43 118.909 120.898 -1.989 1
1 439 . 4 1 1 A 44 44 ILE H H 44 8.057 8.033 0.024 1
1 440 . 4 1 1 A 44 44 ILE HA H 44 4.638 4.104 0.534 1
1 450 . 4 1 1 A 44 44 ILE C C 44 174.853 175.489 -0.636 1
1 451 . 4 1 1 A 44 44 ILE CA C 44 60.676 61.329 -0.653 1
1 452 . 4 1 1 A 44 44 ILE CB C 44 38.258 37.498 0.760 1
1 456 . 4 1 1 A 44 44 ILE N N 44 108.541 113.995 -5.454 1
1 457 . 4 1 1 A 45 45 ASN H H 45 7.885 8.002 -0.117 1
1 458 . 4 1 1 A 45 45 ASN HA H 45 4.400 4.281 0.119 1
1 463 . 4 1 1 A 45 45 ASN C C 45 173.857 173.729 0.128 1
1 464 . 4 1 1 A 45 45 ASN CA C 45 54.104 54.442 -0.338 1
1 465 . 4 1 1 A 45 45 ASN CB C 45 37.082 36.630 0.452 1
1 466 . 4 1 1 A 45 45 ASN N N 45 119.396 117.038 2.358 1
1 468 . 4 1 1 A 46 46 LEU H H 46 8.195 7.777 0.418 1
1 469 . 4 1 1 A 46 46 LEU HA H 46 4.961 4.802 0.159 1
1 479 . 4 1 1 A 46 46 LEU CA C 46 52.101 51.429 0.672 1
1 480 . 4 1 1 A 46 46 LEU CB C 46 46.563 45.118 1.445 1
1 484 . 4 1 1 A 46 46 LEU N N 46 119.142 119.044 0.098 1
1 485 . 4 1 1 A 47 47 PRO HA H 47 4.547 4.689 -0.142 1
1 492 . 4 1 1 A 47 47 PRO C C 47 178.350 177.847 0.503 1
1 493 . 4 1 1 A 47 47 PRO CA C 47 62.434 62.924 -0.490 1
1 494 . 4 1 1 A 47 47 PRO CB C 47 32.295 31.682 0.613 1
1 497 . 4 1 1 A 48 48 GLU H H 48 9.242 9.074 0.168 1
1 498 . 4 1 1 A 48 48 GLU HA H 48 3.689 4.022 -0.333 1
1 503 . 4 1 1 A 48 48 GLU C C 48 178.326 178.362 -0.036 1
1 504 . 4 1 1 A 48 48 GLU CA C 48 61.058 59.640 1.418 1
1 505 . 4 1 1 A 48 48 GLU CB C 48 28.537 29.668 -1.131 1
1 507 . 4 1 1 A 48 48 GLU N N 48 125.487 125.295 0.192 1
1 508 . 4 1 1 A 49 49 SER H H 49 8.653 8.407 0.246 1
1 509 . 4 1 1 A 49 49 SER HA H 49 4.058 4.195 -0.137 1
1 512 . 4 1 1 A 49 49 SER C C 49 177.549 176.732 0.817 1
1 513 . 4 1 1 A 49 49 SER CA C 49 61.266 61.201 0.065 1
1 514 . 4 1 1 A 49 49 SER CB C 49 61.658 62.857 -1.199 1
1 515 . 4 1 1 A 49 49 SER N N 49 113.467 115.960 -2.493 1
1 516 . 4 1 1 A 50 50 ARG H H 50 7.489 8.092 -0.603 1
1 517 . 4 1 1 A 50 50 ARG HA H 50 4.344 4.225 0.119 1
1 524 . 4 1 1 A 50 50 ARG C C 50 179.467 179.199 0.268 1
1 525 . 4 1 1 A 50 50 ARG CA C 50 57.575 59.422 -1.847 1
1 526 . 4 1 1 A 50 50 ARG CB C 50 29.523 29.877 -0.354 1
1 529 . 4 1 1 A 50 50 ARG N N 50 120.329 121.351 -1.022 1
1 530 . 4 1 1 A 51 51 VAL H H 51 7.598 7.819 -0.221 1
1 531 . 4 1 1 A 51 51 VAL HA H 51 3.733 3.770 -0.037 1
1 539 . 4 1 1 A 51 51 VAL C C 51 177.767 178.258 -0.491 1
1 540 . 4 1 1 A 51 51 VAL CA C 51 67.082 66.891 0.191 1
1 541 . 4 1 1 A 51 51 VAL CB C 51 31.945 31.590 0.355 1
1 544 . 4 1 1 A 51 51 VAL N N 51 121.456 120.481 0.975 1
1 545 . 4 1 1 A 52 52 GLN H H 52 8.579 7.971 0.608 1
1 546 . 4 1 1 A 52 52 GLN HA H 52 4.338 4.058 0.280 1
1 553 . 4 1 1 A 52 52 GLN C C 52 178.836 178.721 0.115 1
1 554 . 4 1 1 A 52 52 GLN CA C 52 60.257 59.420 0.837 1
1 555 . 4 1 1 A 52 52 GLN CB C 52 28.377 28.367 0.010 1
1 557 . 4 1 1 A 52 52 GLN N N 52 119.679 119.555 0.124 1
1 559 . 4 1 1 A 53 53 VAL H H 53 7.777 7.992 -0.215 1
1 560 . 4 1 1 A 53 53 VAL HA H 53 3.667 3.689 -0.022 1
1 568 . 4 1 1 A 53 53 VAL C C 53 177.379 178.281 -0.902 1
1 569 . 4 1 1 A 53 53 VAL CA C 53 67.004 66.633 0.371 1
1 570 . 4 1 1 A 53 53 VAL CB C 53 32.237 31.729 0.508 1
1 573 . 4 1 1 A 53 53 VAL N N 53 119.215 119.045 0.170 1
1 574 . 4 1 1 A 54 54 TRP H H 54 8.177 8.457 -0.280 1
1 575 . 4 1 1 A 54 54 TRP HA H 54 4.074 4.473 -0.399 1
1 584 . 4 1 1 A 54 54 TRP C C 54 179.589 178.375 1.214 1
1 585 . 4 1 1 A 54 54 TRP CA C 54 63.273 61.024 2.249 1
1 586 . 4 1 1 A 54 54 TRP CB C 54 28.458 29.592 -1.134 1
1 592 . 4 1 1 A 54 54 TRP N N 54 120.980 121.450 -0.470 1
1 594 . 4 1 1 A 55 55 PHE H H 55 8.755 8.474 0.281 1
1 595 . 4 1 1 A 55 55 PHE HA H 55 3.626 4.260 -0.634 1
1 603 . 4 1 1 A 55 55 PHE C C 55 177.937 178.430 -0.493 1
1 604 . 4 1 1 A 55 55 PHE CA C 55 64.064 61.556 2.508 1
1 605 . 4 1 1 A 55 55 PHE CB C 55 39.579 39.000 0.579 1
1 611 . 4 1 1 A 55 55 PHE N N 55 118.177 118.521 -0.344 1
1 612 . 4 1 1 A 56 56 LYS H H 56 8.169 8.234 -0.065 1
1 613 . 4 1 1 A 56 56 LYS HA H 56 3.914 4.035 -0.121 1
1 620 . 4 1 1 A 56 56 LYS C C 56 179.929 179.515 0.414 1
1 621 . 4 1 1 A 56 56 LYS CA C 56 60.488 59.776 0.712 1
1 622 . 4 1 1 A 56 56 LYS CB C 56 32.243 32.236 0.007 1
1 626 . 4 1 1 A 56 56 LYS N N 56 119.649 118.062 1.587 1
1 627 . 4 1 1 A 57 57 ASN H H 57 8.238 7.871 0.367 1
1 628 . 4 1 1 A 57 57 ASN HA H 57 4.345 4.402 -0.057 1
1 633 . 4 1 1 A 57 57 ASN C C 57 177.379 177.792 -0.413 1
1 634 . 4 1 1 A 57 57 ASN CA C 57 55.515 55.783 -0.268 1
1 635 . 4 1 1 A 57 57 ASN CB C 57 37.887 37.822 0.065 1
1 636 . 4 1 1 A 57 57 ASN N N 57 118.635 118.170 0.465 1
1 638 . 4 1 1 A 58 58 ARG H H 58 8.347 7.494 0.853 1
1 639 . 4 1 1 A 58 58 ARG HA H 58 3.419 3.694 -0.275 1
1 646 . 4 1 1 A 58 58 ARG C C 58 179.637 178.540 1.097 1
1 647 . 4 1 1 A 58 58 ARG CA C 58 56.820 59.014 -2.194 1
1 648 . 4 1 1 A 58 58 ARG CB C 58 28.359 29.305 -0.946 1
1 651 . 4 1 1 A 58 58 ARG N N 58 123.884 120.072 3.812 1
1 652 . 4 1 1 A 59 59 ARG H H 59 8.184 8.297 -0.113 1
1 653 . 4 1 1 A 59 59 ARG HA H 59 4.124 4.321 -0.197 1
1 659 . 4 1 1 A 59 59 ARG C C 59 178.836 178.254 0.582 1
1 660 . 4 1 1 A 59 59 ARG CA C 59 60.478 58.963 1.515 1
1 661 . 4 1 1 A 59 59 ARG CB C 59 31.667 29.649 2.018 1
1 664 . 4 1 1 A 59 59 ARG N N 59 117.828 118.309 -0.481 1
1 665 . 4 1 1 A 60 60 ALA H H 60 7.407 8.095 -0.688 1
1 666 . 4 1 1 A 60 60 ALA HA H 60 4.183 4.057 0.126 1
1 670 . 4 1 1 A 60 60 ALA C C 60 179.370 179.395 -0.025 1
1 671 . 4 1 1 A 60 60 ALA CA C 60 54.509 55.095 -0.586 1
1 672 . 4 1 1 A 60 60 ALA CB C 60 18.207 18.317 -0.110 1
1 673 . 4 1 1 A 60 60 ALA N N 60 121.238 122.830 -1.592 1
1 674 . 4 1 1 A 61 61 LYS H H 61 7.564 8.371 -0.807 1
1 675 . 4 1 1 A 61 61 LYS HA H 61 4.143 3.886 0.257 1
1 684 . 4 1 1 A 61 61 LYS C C 61 177.767 178.564 -0.797 1
1 685 . 4 1 1 A 61 61 LYS CA C 61 57.671 59.416 -1.745 1
1 686 . 4 1 1 A 61 61 LYS CB C 61 32.490 32.405 0.085 1
1 690 . 4 1 1 A 61 61 LYS N N 61 118.322 117.657 0.665 1
1 691 . 4 1 1 A 62 62 CYS H H 62 7.725 8.043 -0.318 1
1 692 . 4 1 1 A 62 62 CYS HA H 62 4.401 3.982 0.419 1
1 695 . 4 1 1 A 62 62 CYS C C 62 175.752 177.122 -1.370 1
1 696 . 4 1 1 A 62 62 CYS CA C 62 60.540 62.902 -2.362 1
1 697 . 4 1 1 A 62 62 CYS CB C 62 27.654 26.886 0.768 1
1 698 . 4 1 1 A 62 62 CYS N N 62 117.981 118.804 -0.823 1
1 699 . 4 1 1 A 63 63 ARG H H 63 8.044 8.240 -0.196 1
1 700 . 4 1 1 A 63 63 ARG HA H 63 4.273 4.083 0.190 1
1 705 . 4 1 1 A 63 63 ARG C C 63 177.233 178.882 -1.649 1
1 706 . 4 1 1 A 63 63 ARG CA C 63 57.631 59.738 -2.107 1
1 707 . 4 1 1 A 63 63 ARG CB C 63 30.347 30.011 0.336 1
1 710 . 4 1 1 A 63 63 ARG N N 63 121.313 119.817 1.496 1
1 711 . 4 1 1 A 64 64 GLN H H 64 8.217 7.731 0.486 1
1 712 . 4 1 1 A 64 64 GLN HA H 64 4.262 3.991 0.271 1
1 718 . 4 1 1 A 64 64 GLN C C 64 176.942 175.549 1.393 1
1 719 . 4 1 1 A 64 64 GLN CA C 64 57.172 59.172 -2.000 1
1 720 . 4 1 1 A 64 64 GLN CB C 64 29.129 28.395 0.734 1
1 722 . 4 1 1 A 64 64 GLN N N 64 120.369 119.816 0.553 1
1 724 . 4 1 1 A 71 71 ASN CB C 71 37.967 38.358 -0.391 1
1 726 . 4 1 1 A 72 72 GLY HA2 H 72 3.984 4.204 -0.220 1
1 727 . 4 1 1 A 72 72 GLY HA3 H 72 3.984 4.204 -0.220 1
1 728 . 4 1 1 A 72 72 GLY C C 72 174.877 172.089 2.788 1
1 729 . 4 1 1 A 72 72 GLY CA C 72 45.604 45.561 0.043 1
1 730 . 4 1 1 A 73 73 GLY H H 73 8.288 8.313 -0.025 1
1 731 . 4 1 1 A 73 73 GLY HA2 H 73 3.986 4.297 -0.311 1
1 732 . 4 1 1 A 73 73 GLY HA3 H 73 3.986 4.297 -0.311 1
1 733 . 4 1 1 A 73 73 GLY C C 73 174.319 171.467 2.852 1
1 734 . 4 1 1 A 73 73 GLY CA C 73 45.322 45.907 -0.585 1
1 735 . 4 1 1 A 73 73 GLY N N 73 108.597 110.100 -1.503 1
1 736 . 4 1 1 A 74 74 GLN H H 74 8.281 8.491 -0.210 1
1 737 . 4 1 1 A 74 74 GLN HA H 74 4.413 5.113 -0.700 1
1 743 . 4 1 1 A 74 74 GLN C C 74 176.262 174.086 2.176 1
1 744 . 4 1 1 A 74 74 GLN CA C 74 55.973 54.589 1.384 1
1 745 . 4 1 1 A 74 74 GLN CB C 74 29.605 32.975 -3.370 1
1 747 . 4 1 1 A 74 74 GLN N N 74 119.866 119.706 0.160 1
1 749 . 4 1 1 A 75 75 SER H H 75 8.432 8.792 -0.360 1
1 750 . 4 1 1 A 75 75 SER HA H 75 4.524 5.196 -0.672 1
1 753 . 4 1 1 A 75 75 SER C C 75 174.586 173.671 0.915 1
1 754 . 4 1 1 A 75 75 SER CA C 75 58.513 56.358 2.155 1
1 755 . 4 1 1 A 75 75 SER CB C 75 64.061 65.999 -1.938 1
1 756 . 4 1 1 A 75 75 SER N N 75 117.073 115.410 1.663 1
1 757 . 4 1 1 A 76 76 GLY H H 76 8.244 8.512 -0.268 1
1 758 . 4 1 1 A 76 76 GLY HA2 H 76 4.171 4.405 -0.234 1
1 759 . 4 1 1 A 76 76 GLY HA3 H 76 4.102 4.407 -0.305 1
1 760 . 4 1 1 A 76 76 GLY C C 76 171.842 172.108 -0.266 1
1 761 . 4 1 1 A 76 76 GLY CA C 76 44.617 44.031 0.586 1
1 762 . 4 1 1 A 76 76 GLY N N 76 110.727 107.160 3.567 1
1 763 . 4 1 1 A 77 77 PRO HA H 77 4.494 4.583 -0.089 1
1 770 . 4 1 1 A 77 77 PRO C C 77 177.476 175.165 2.311 1
1 771 . 4 1 1 A 77 77 PRO CA C 77 63.380 62.460 0.920 1
1 772 . 4 1 1 A 77 77 PRO CB C 77 32.231 33.185 -0.954 1
1 775 . 4 1 1 A 78 78 SER H H 78 8.526 8.357 0.169 1
1 776 . 4 1 1 A 78 78 SER HA H 78 4.514 4.986 -0.472 1
1 779 . 4 1 1 A 78 78 SER C C 78 174.756 172.600 2.156 1
1 780 . 4 1 1 A 78 78 SER CA C 78 58.513 57.533 0.980 1
1 781 . 4 1 1 A 78 78 SER CB C 78 63.896 67.977 -4.081 1
1 782 . 4 1 1 A 78 78 SER N N 78 116.438 114.563 1.875 1
1 783 . 4 1 1 A 79 79 SER H H 79 8.329 8.525 -0.196 1
1 784 . 4 1 1 A 79 79 SER HA H 79 4.502 5.068 -0.566 1
1 787 . 4 1 1 A 79 79 SER C C 79 173.954 174.322 -0.368 1
1 788 . 4 1 1 A 79 79 SER CA C 79 58.477 56.909 1.568 1
1 789 . 4 1 1 A 79 79 SER CB C 79 64.019 66.248 -2.229 1
1 790 . 4 1 1 A 79 79 SER N N 79 117.859 117.489 0.370 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.978 3.860 0.118 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.978 3.861 0.117 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.149 172.971 1.178 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.393 47.270 -1.877 1
1 5 . 5 1 1 A 8 8 ARG H H 8 8.135 8.694 -0.559 1
1 6 . 5 1 1 A 8 8 ARG C C 8 176.480 174.384 2.096 1
1 7 . 5 1 1 A 8 8 ARG CA C 8 56.589 54.866 1.723 1
1 8 . 5 1 1 A 8 8 ARG CB C 8 30.686 32.627 -1.941 1
1 11 . 5 1 1 A 8 8 ARG N N 8 120.720 125.105 -4.385 1
1 12 . 5 1 1 A 9 9 ARG H H 9 8.471 8.770 -0.299 1
1 13 . 5 1 1 A 9 9 ARG HA H 9 4.288 4.859 -0.571 1
1 14 . 5 1 1 A 9 9 ARG C C 9 176.504 175.591 0.913 1
1 15 . 5 1 1 A 9 9 ARG CA C 9 56.432 54.282 2.150 1
1 16 . 5 1 1 A 9 9 ARG CB C 9 30.466 32.739 -2.273 1
1 17 . 5 1 1 A 9 9 ARG N N 9 122.487 128.154 -5.667 1
1 18 . 5 1 1 A 13 13 THR HA H 13 4.365 4.148 0.217 1
1 23 . 5 1 1 A 13 13 THR C C 13 173.954 174.792 -0.838 1
1 24 . 5 1 1 A 13 13 THR CA C 13 61.440 63.809 -2.369 1
1 25 . 5 1 1 A 13 13 THR CB C 13 70.210 69.815 0.395 1
1 27 . 5 1 1 A 14 14 PHE H H 14 8.297 8.997 -0.700 1
1 28 . 5 1 1 A 14 14 PHE HA H 14 4.941 4.730 0.211 1
1 36 . 5 1 1 A 14 14 PHE C C 14 176.650 175.882 0.768 1
1 37 . 5 1 1 A 14 14 PHE CA C 14 57.077 57.983 -0.906 1
1 38 . 5 1 1 A 14 14 PHE CB C 14 41.503 40.115 1.388 1
1 44 . 5 1 1 A 14 14 PHE N N 14 121.677 124.950 -3.273 1
1 45 . 5 1 1 A 15 15 THR H H 15 9.009 8.574 0.435 1
1 46 . 5 1 1 A 15 15 THR HA H 15 4.493 4.664 -0.171 1
1 51 . 5 1 1 A 15 15 THR C C 15 175.314 175.439 -0.125 1
1 52 . 5 1 1 A 15 15 THR CA C 15 60.359 60.313 0.046 1
1 53 . 5 1 1 A 15 15 THR CB C 15 70.902 70.795 0.107 1
1 55 . 5 1 1 A 15 15 THR N N 15 113.381 115.647 -2.266 1
1 56 . 5 1 1 A 16 16 ARG H H 16 8.882 8.984 -0.102 1
1 57 . 5 1 1 A 16 16 ARG HA H 16 3.986 3.905 0.081 1
1 64 . 5 1 1 A 16 16 ARG C C 16 177.670 178.559 -0.889 1
1 65 . 5 1 1 A 16 16 ARG CA C 16 59.042 60.231 -1.189 1
1 66 . 5 1 1 A 16 16 ARG CB C 16 30.100 30.023 0.077 1
1 69 . 5 1 1 A 16 16 ARG N N 16 122.206 127.434 -5.228 1
1 70 . 5 1 1 A 17 17 ALA H H 17 8.251 8.116 0.135 1
1 71 . 5 1 1 A 17 17 ALA HA H 17 4.159 4.016 0.143 1
1 75 . 5 1 1 A 17 17 ALA C C 17 181.386 180.225 1.161 1
1 76 . 5 1 1 A 17 17 ALA CA C 17 54.986 55.433 -0.447 1
1 77 . 5 1 1 A 17 17 ALA CB C 17 18.333 18.287 0.046 1
1 78 . 5 1 1 A 17 17 ALA N N 17 119.149 121.914 -2.765 1
1 79 . 5 1 1 A 18 18 GLN H H 18 7.533 8.283 -0.750 1
1 80 . 5 1 1 A 18 18 GLN HA H 18 3.858 3.960 -0.102 1
1 87 . 5 1 1 A 18 18 GLN C C 18 177.986 178.694 -0.708 1
1 88 . 5 1 1 A 18 18 GLN CA C 18 58.790 58.956 -0.166 1
1 89 . 5 1 1 A 18 18 GLN CB C 18 28.603 28.082 0.521 1
1 91 . 5 1 1 A 18 18 GLN N N 18 116.295 117.260 -0.965 1
1 93 . 5 1 1 A 19 19 LEU H H 19 8.417 8.463 -0.046 1
1 94 . 5 1 1 A 19 19 LEU HA H 19 3.547 3.730 -0.183 1
1 104 . 5 1 1 A 19 19 LEU C C 19 178.617 178.276 0.341 1
1 105 . 5 1 1 A 19 19 LEU CA C 19 57.745 57.591 0.154 1
1 106 . 5 1 1 A 19 19 LEU CB C 19 41.584 41.622 -0.038 1
1 110 . 5 1 1 A 19 19 LEU N N 19 118.955 120.444 -1.489 1
1 111 . 5 1 1 A 20 20 ASP H H 20 8.537 8.472 0.065 1
1 112 . 5 1 1 A 20 20 ASP HA H 20 4.291 4.261 0.030 1
1 115 . 5 1 1 A 20 20 ASP C C 20 179.783 178.687 1.096 1
1 116 . 5 1 1 A 20 20 ASP CA C 20 57.666 57.354 0.312 1
1 117 . 5 1 1 A 20 20 ASP CB C 20 39.965 40.798 -0.833 1
1 118 . 5 1 1 A 20 20 ASP N N 20 118.356 118.331 0.025 1
1 119 . 5 1 1 A 21 21 VAL H H 21 7.006 7.513 -0.507 1
1 120 . 5 1 1 A 21 21 VAL HA H 21 3.667 3.572 0.095 1
1 128 . 5 1 1 A 21 21 VAL C C 21 178.836 177.743 1.093 1
1 129 . 5 1 1 A 21 21 VAL CA C 21 66.062 66.371 -0.309 1
1 130 . 5 1 1 A 21 21 VAL CB C 21 32.006 31.666 0.340 1
1 133 . 5 1 1 A 21 21 VAL N N 21 120.507 119.174 1.333 1
1 134 . 5 1 1 A 22 22 LEU H H 22 7.638 7.866 -0.228 1
1 135 . 5 1 1 A 22 22 LEU HA H 22 3.557 3.544 0.013 1
1 145 . 5 1 1 A 22 22 LEU C C 22 178.277 178.958 -0.681 1
1 146 . 5 1 1 A 22 22 LEU CA C 22 58.595 57.967 0.628 1
1 147 . 5 1 1 A 22 22 LEU CB C 22 38.402 40.410 -2.008 1
1 151 . 5 1 1 A 22 22 LEU N N 22 122.874 119.131 3.743 1
1 152 . 5 1 1 A 23 23 GLU H H 23 8.880 8.278 0.602 1
1 153 . 5 1 1 A 23 23 GLU HA H 23 4.162 4.198 -0.036 1
1 157 . 5 1 1 A 23 23 GLU C C 23 180.123 178.707 1.416 1
1 158 . 5 1 1 A 23 23 GLU CA C 23 59.182 59.027 0.155 1
1 159 . 5 1 1 A 23 23 GLU CB C 23 29.111 29.769 -0.658 1
1 161 . 5 1 1 A 23 23 GLU N N 23 117.314 117.462 -0.148 1
1 162 . 5 1 1 A 24 24 ALA H H 24 7.614 7.695 -0.081 1
1 163 . 5 1 1 A 24 24 ALA HA H 24 4.273 4.126 0.147 1
1 167 . 5 1 1 A 24 24 ALA C C 24 180.560 179.903 0.657 1
1 168 . 5 1 1 A 24 24 ALA CA C 24 55.023 55.158 -0.135 1
1 169 . 5 1 1 A 24 24 ALA CB C 24 17.775 18.541 -0.766 1
1 170 . 5 1 1 A 24 24 ALA N N 24 122.032 122.459 -0.427 1
1 171 . 5 1 1 A 25 25 LEU H H 25 7.673 8.070 -0.397 1
1 172 . 5 1 1 A 25 25 LEU HA H 25 4.507 4.175 0.332 1
1 182 . 5 1 1 A 25 25 LEU C C 25 177.694 179.000 -1.306 1
1 183 . 5 1 1 A 25 25 LEU CA C 25 57.913 57.976 -0.063 1
1 184 . 5 1 1 A 25 25 LEU CB C 25 40.753 41.983 -1.230 1
1 188 . 5 1 1 A 25 25 LEU N N 25 120.067 119.725 0.342 1
1 189 . 5 1 1 A 26 26 PHE H H 26 8.839 8.467 0.372 1
1 190 . 5 1 1 A 26 26 PHE HA H 26 4.765 4.493 0.272 1
1 198 . 5 1 1 A 26 26 PHE C C 26 175.800 178.103 -2.303 1
1 199 . 5 1 1 A 26 26 PHE CA C 26 61.017 61.014 0.003 1
1 200 . 5 1 1 A 26 26 PHE CB C 26 39.167 39.221 -0.054 1
1 206 . 5 1 1 A 26 26 PHE N N 26 121.428 120.126 1.302 1
1 207 . 5 1 1 A 27 27 ALA H H 27 7.825 8.442 -0.617 1
1 208 . 5 1 1 A 27 27 ALA HA H 27 4.062 4.350 -0.288 1
1 212 . 5 1 1 A 27 27 ALA C C 27 179.273 179.409 -0.136 1
1 213 . 5 1 1 A 27 27 ALA CA C 27 53.975 54.974 -0.999 1
1 214 . 5 1 1 A 27 27 ALA CB C 27 18.276 18.658 -0.382 1
1 215 . 5 1 1 A 27 27 ALA N N 27 116.175 121.597 -5.422 1
1 216 . 5 1 1 A 28 28 LYS H H 28 7.618 7.920 -0.302 1
1 217 . 5 1 1 A 28 28 LYS HA H 28 4.251 4.260 -0.009 1
1 225 . 5 1 1 A 28 28 LYS C C 28 177.354 176.374 0.980 1
1 226 . 5 1 1 A 28 28 LYS CA C 28 58.122 57.977 0.145 1
1 227 . 5 1 1 A 28 28 LYS CB C 28 33.315 32.609 0.706 1
1 231 . 5 1 1 A 28 28 LYS N N 28 118.586 113.954 4.632 1
1 232 . 5 1 1 A 29 29 THR H H 29 8.820 7.564 1.256 1
1 233 . 5 1 1 A 29 29 THR HA H 29 4.410 4.573 -0.163 1
1 238 . 5 1 1 A 29 29 THR C C 29 170.360 173.686 -3.326 1
1 239 . 5 1 1 A 29 29 THR CA C 29 59.749 61.082 -1.333 1
1 240 . 5 1 1 A 29 29 THR CB C 29 68.972 71.082 -2.110 1
1 242 . 5 1 1 A 29 29 THR N N 29 116.094 113.015 3.079 1
1 243 . 5 1 1 A 30 30 ARG H H 30 8.203 8.471 -0.268 1
1 244 . 5 1 1 A 30 30 ARG HA H 30 3.957 3.616 0.341 1
1 251 . 5 1 1 A 30 30 ARG C C 30 175.120 175.235 -0.115 1
1 252 . 5 1 1 A 30 30 ARG CA C 30 56.750 57.559 -0.809 1
1 253 . 5 1 1 A 30 30 ARG CB C 30 30.444 30.370 0.074 1
1 256 . 5 1 1 A 30 30 ARG N N 30 122.783 126.438 -3.655 1
1 257 . 5 1 1 A 31 31 TYR H H 31 8.002 7.323 0.679 1
1 258 . 5 1 1 A 31 31 TYR HA H 31 4.686 4.696 -0.010 1
1 265 . 5 1 1 A 31 31 TYR C C 31 172.910 172.560 0.350 1
1 266 . 5 1 1 A 31 31 TYR CA C 31 55.303 54.689 0.614 1
1 267 . 5 1 1 A 31 31 TYR CB C 31 39.057 38.220 0.837 1
1 272 . 5 1 1 A 31 31 TYR N N 31 114.710 117.501 -2.791 1
1 273 . 5 1 1 A 32 32 PRO HA H 32 4.427 4.554 -0.127 1
1 280 . 5 1 1 A 32 32 PRO C C 32 177.257 176.312 0.945 1
1 281 . 5 1 1 A 32 32 PRO CA C 32 62.838 62.501 0.337 1
1 282 . 5 1 1 A 32 32 PRO CB C 32 32.082 32.485 -0.403 1
1 285 . 5 1 1 A 33 33 ASP H H 33 7.804 8.427 -0.623 1
1 286 . 5 1 1 A 33 33 ASP HA H 33 4.509 4.657 -0.148 1
1 289 . 5 1 1 A 33 33 ASP C C 33 176.286 176.384 -0.098 1
1 290 . 5 1 1 A 33 33 ASP CA C 33 52.894 52.712 0.182 1
1 291 . 5 1 1 A 33 33 ASP CB C 33 41.475 41.501 -0.026 1
1 292 . 5 1 1 A 33 33 ASP N N 33 123.553 121.294 2.259 1
1 293 . 5 1 1 A 34 34 ILE H H 34 8.429 8.584 -0.155 1
1 294 . 5 1 1 A 34 34 ILE HA H 34 3.700 3.857 -0.157 1
1 304 . 5 1 1 A 34 34 ILE C C 34 175.412 177.753 -2.341 1
1 305 . 5 1 1 A 34 34 ILE CA C 34 63.602 64.142 -0.540 1
1 306 . 5 1 1 A 34 34 ILE CB C 34 37.846 37.517 0.329 1
1 310 . 5 1 1 A 34 34 ILE N N 34 117.269 119.820 -2.551 1
1 311 . 5 1 1 A 35 35 PHE H H 35 7.086 7.929 -0.843 1
1 312 . 5 1 1 A 35 35 PHE HA H 35 4.287 4.377 -0.090 1
1 320 . 5 1 1 A 35 35 PHE C C 35 179.589 178.266 1.323 1
1 321 . 5 1 1 A 35 35 PHE CA C 35 60.676 60.499 0.177 1
1 322 . 5 1 1 A 35 35 PHE CB C 35 37.731 38.959 -1.228 1
1 328 . 5 1 1 A 35 35 PHE N N 35 121.852 120.949 0.903 1
1 329 . 5 1 1 A 36 36 MET H H 36 8.559 8.331 0.228 1
1 330 . 5 1 1 A 36 36 MET HA H 36 4.216 4.080 0.136 1
1 338 . 5 1 1 A 36 36 MET C C 36 179.904 178.722 1.182 1
1 339 . 5 1 1 A 36 36 MET CA C 36 58.849 59.185 -0.336 1
1 340 . 5 1 1 A 36 36 MET CB C 36 33.757 32.513 1.244 1
1 343 . 5 1 1 A 36 36 MET N N 36 120.502 117.703 2.799 1
1 344 . 5 1 1 A 37 37 ARG H H 37 8.495 8.272 0.223 1
1 345 . 5 1 1 A 37 37 ARG HA H 37 3.839 4.085 -0.246 1
1 352 . 5 1 1 A 37 37 ARG C C 37 178.326 179.347 -1.021 1
1 353 . 5 1 1 A 37 37 ARG CA C 37 60.738 59.941 0.797 1
1 354 . 5 1 1 A 37 37 ARG CB C 37 31.601 30.075 1.526 1
1 357 . 5 1 1 A 37 37 ARG N N 37 117.379 118.981 -1.602 1
1 358 . 5 1 1 A 38 38 GLU H H 38 8.793 8.657 0.136 1
1 359 . 5 1 1 A 38 38 GLU HA H 38 4.028 4.354 -0.326 1
1 364 . 5 1 1 A 38 38 GLU C C 38 179.079 179.190 -0.111 1
1 365 . 5 1 1 A 38 38 GLU CA C 38 59.682 59.166 0.516 1
1 366 . 5 1 1 A 38 38 GLU CB C 38 29.555 29.184 0.371 1
1 368 . 5 1 1 A 38 38 GLU N N 38 119.411 119.495 -0.084 1
1 369 . 5 1 1 A 39 39 GLU H H 39 7.909 8.125 -0.216 1
1 370 . 5 1 1 A 39 39 GLU HA H 39 4.090 4.052 0.038 1
1 375 . 5 1 1 A 39 39 GLU C C 39 179.662 179.045 0.617 1
1 376 . 5 1 1 A 39 39 GLU CA C 39 59.776 59.396 0.380 1
1 377 . 5 1 1 A 39 39 GLU CB C 39 29.688 29.544 0.144 1
1 379 . 5 1 1 A 39 39 GLU N N 39 119.625 120.398 -0.773 1
1 380 . 5 1 1 A 40 40 VAL H H 40 7.732 8.007 -0.275 1
1 381 . 5 1 1 A 40 40 VAL HA H 40 3.836 3.622 0.214 1
1 389 . 5 1 1 A 40 40 VAL C C 40 176.674 178.127 -1.453 1
1 390 . 5 1 1 A 40 40 VAL CA C 40 65.856 66.756 -0.900 1
1 391 . 5 1 1 A 40 40 VAL CB C 40 31.416 31.543 -0.127 1
1 394 . 5 1 1 A 40 40 VAL N N 40 118.226 120.282 -2.056 1
1 395 . 5 1 1 A 41 41 ALA H H 41 8.405 8.381 0.024 1
1 396 . 5 1 1 A 41 41 ALA HA H 41 3.843 4.044 -0.201 1
1 400 . 5 1 1 A 41 41 ALA C C 41 179.856 179.237 0.619 1
1 401 . 5 1 1 A 41 41 ALA CA C 41 56.009 54.629 1.380 1
1 402 . 5 1 1 A 41 41 ALA CB C 41 17.646 18.632 -0.986 1
1 403 . 5 1 1 A 41 41 ALA N N 41 124.532 121.076 3.456 1
1 404 . 5 1 1 A 42 42 LEU H H 42 7.711 7.852 -0.141 1
1 405 . 5 1 1 A 42 42 LEU HA H 42 4.199 4.192 0.007 1
1 415 . 5 1 1 A 42 42 LEU C C 42 180.317 179.110 1.207 1
1 416 . 5 1 1 A 42 42 LEU CA C 42 57.484 56.516 0.968 1
1 417 . 5 1 1 A 42 42 LEU CB C 42 42.346 42.055 0.291 1
1 421 . 5 1 1 A 42 42 LEU N N 42 116.217 118.368 -2.151 1
1 422 . 5 1 1 A 43 43 LYS H H 43 7.615 8.309 -0.694 1
1 423 . 5 1 1 A 43 43 LYS HA H 43 4.133 4.095 0.038 1
1 432 . 5 1 1 A 43 43 LYS C C 43 178.933 179.192 -0.259 1
1 433 . 5 1 1 A 43 43 LYS CA C 43 59.269 59.103 0.166 1
1 434 . 5 1 1 A 43 43 LYS CB C 43 33.232 32.679 0.553 1
1 438 . 5 1 1 A 43 43 LYS N N 43 118.909 120.698 -1.789 1
1 439 . 5 1 1 A 44 44 ILE H H 44 8.057 8.033 0.024 1
1 440 . 5 1 1 A 44 44 ILE HA H 44 4.638 4.016 0.622 1
1 450 . 5 1 1 A 44 44 ILE C C 44 174.853 176.575 -1.722 1
1 451 . 5 1 1 A 44 44 ILE CA C 44 60.676 62.185 -1.509 1
1 452 . 5 1 1 A 44 44 ILE CB C 44 38.258 37.904 0.354 1
1 456 . 5 1 1 A 44 44 ILE N N 44 108.541 115.310 -6.769 1
1 457 . 5 1 1 A 45 45 ASN H H 45 7.885 8.205 -0.320 1
1 458 . 5 1 1 A 45 45 ASN HA H 45 4.400 4.333 0.067 1
1 463 . 5 1 1 A 45 45 ASN C C 45 173.857 173.844 0.013 1
1 464 . 5 1 1 A 45 45 ASN CA C 45 54.104 54.131 -0.027 1
1 465 . 5 1 1 A 45 45 ASN CB C 45 37.082 37.247 -0.165 1
1 466 . 5 1 1 A 45 45 ASN N N 45 119.396 120.419 -1.023 1
1 468 . 5 1 1 A 46 46 LEU H H 46 8.195 7.696 0.499 1
1 469 . 5 1 1 A 46 46 LEU HA H 46 4.961 4.773 0.188 1
1 479 . 5 1 1 A 46 46 LEU CA C 46 52.101 51.407 0.694 1
1 480 . 5 1 1 A 46 46 LEU CB C 46 46.563 44.896 1.667 1
1 484 . 5 1 1 A 46 46 LEU N N 46 119.142 118.793 0.349 1
1 485 . 5 1 1 A 47 47 PRO HA H 47 4.547 4.696 -0.149 1
1 492 . 5 1 1 A 47 47 PRO C C 47 178.350 178.085 0.265 1
1 493 . 5 1 1 A 47 47 PRO CA C 47 62.434 62.919 -0.485 1
1 494 . 5 1 1 A 47 47 PRO CB C 47 32.295 31.657 0.638 1
1 497 . 5 1 1 A 48 48 GLU H H 48 9.242 8.690 0.552 1
1 498 . 5 1 1 A 48 48 GLU HA H 48 3.689 3.978 -0.289 1
1 503 . 5 1 1 A 48 48 GLU C C 48 178.326 178.820 -0.494 1
1 504 . 5 1 1 A 48 48 GLU CA C 48 61.058 59.917 1.141 1
1 505 . 5 1 1 A 48 48 GLU CB C 48 28.537 29.392 -0.855 1
1 507 . 5 1 1 A 48 48 GLU N N 48 125.487 123.840 1.647 1
1 508 . 5 1 1 A 49 49 SER H H 49 8.653 8.096 0.557 1
1 509 . 5 1 1 A 49 49 SER HA H 49 4.058 4.151 -0.093 1
1 512 . 5 1 1 A 49 49 SER C C 49 177.549 177.206 0.343 1
1 513 . 5 1 1 A 49 49 SER CA C 49 61.266 61.871 -0.605 1
1 514 . 5 1 1 A 49 49 SER CB C 49 61.658 62.881 -1.223 1
1 515 . 5 1 1 A 49 49 SER N N 49 113.467 117.825 -4.358 1
1 516 . 5 1 1 A 50 50 ARG H H 50 7.489 8.285 -0.796 1
1 517 . 5 1 1 A 50 50 ARG HA H 50 4.344 4.292 0.052 1
1 524 . 5 1 1 A 50 50 ARG C C 50 179.467 178.973 0.494 1
1 525 . 5 1 1 A 50 50 ARG CA C 50 57.575 59.237 -1.662 1
1 526 . 5 1 1 A 50 50 ARG CB C 50 29.523 29.831 -0.308 1
1 529 . 5 1 1 A 50 50 ARG N N 50 120.329 122.226 -1.897 1
1 530 . 5 1 1 A 51 51 VAL H H 51 7.598 7.923 -0.325 1
1 531 . 5 1 1 A 51 51 VAL HA H 51 3.733 3.744 -0.011 1
1 539 . 5 1 1 A 51 51 VAL C C 51 177.767 178.035 -0.268 1
1 540 . 5 1 1 A 51 51 VAL CA C 51 67.082 67.100 -0.018 1
1 541 . 5 1 1 A 51 51 VAL CB C 51 31.945 31.715 0.230 1
1 544 . 5 1 1 A 51 51 VAL N N 51 121.456 120.826 0.630 1
1 545 . 5 1 1 A 52 52 GLN H H 52 8.579 7.850 0.729 1
1 546 . 5 1 1 A 52 52 GLN HA H 52 4.338 4.205 0.133 1
1 553 . 5 1 1 A 52 52 GLN C C 52 178.836 178.772 0.064 1
1 554 . 5 1 1 A 52 52 GLN CA C 52 60.257 59.468 0.789 1
1 555 . 5 1 1 A 52 52 GLN CB C 52 28.377 28.302 0.075 1
1 557 . 5 1 1 A 52 52 GLN N N 52 119.679 119.614 0.065 1
1 559 . 5 1 1 A 53 53 VAL H H 53 7.777 7.951 -0.174 1
1 560 . 5 1 1 A 53 53 VAL HA H 53 3.667 3.643 0.024 1
1 568 . 5 1 1 A 53 53 VAL C C 53 177.379 178.173 -0.794 1
1 569 . 5 1 1 A 53 53 VAL CA C 53 67.004 66.735 0.269 1
1 570 . 5 1 1 A 53 53 VAL CB C 53 32.237 31.673 0.564 1
1 573 . 5 1 1 A 53 53 VAL N N 53 119.215 119.229 -0.014 1
1 574 . 5 1 1 A 54 54 TRP H H 54 8.177 8.745 -0.568 1
1 575 . 5 1 1 A 54 54 TRP HA H 54 4.074 4.089 -0.015 1
1 584 . 5 1 1 A 54 54 TRP C C 54 179.589 178.282 1.307 1
1 585 . 5 1 1 A 54 54 TRP CA C 54 63.273 60.908 2.365 1
1 586 . 5 1 1 A 54 54 TRP CB C 54 28.458 29.658 -1.200 1
1 592 . 5 1 1 A 54 54 TRP N N 54 120.980 121.215 -0.235 1
1 594 . 5 1 1 A 55 55 PHE H H 55 8.755 7.969 0.786 1
1 595 . 5 1 1 A 55 55 PHE HA H 55 3.626 4.229 -0.603 1
1 603 . 5 1 1 A 55 55 PHE C C 55 177.937 178.427 -0.490 1
1 604 . 5 1 1 A 55 55 PHE CA C 55 64.064 61.716 2.348 1
1 605 . 5 1 1 A 55 55 PHE CB C 55 39.579 38.541 1.038 1
1 611 . 5 1 1 A 55 55 PHE N N 55 118.177 117.668 0.509 1
1 612 . 5 1 1 A 56 56 LYS H H 56 8.169 8.045 0.124 1
1 613 . 5 1 1 A 56 56 LYS HA H 56 3.914 3.982 -0.068 1
1 620 . 5 1 1 A 56 56 LYS C C 56 179.929 179.319 0.610 1
1 621 . 5 1 1 A 56 56 LYS CA C 56 60.488 59.643 0.845 1
1 622 . 5 1 1 A 56 56 LYS CB C 56 32.243 32.427 -0.184 1
1 626 . 5 1 1 A 56 56 LYS N N 56 119.649 118.044 1.605 1
1 627 . 5 1 1 A 57 57 ASN H H 57 8.238 7.728 0.510 1
1 628 . 5 1 1 A 57 57 ASN HA H 57 4.345 4.481 -0.136 1
1 633 . 5 1 1 A 57 57 ASN C C 57 177.379 177.519 -0.140 1
1 634 . 5 1 1 A 57 57 ASN CA C 57 55.515 55.397 0.118 1
1 635 . 5 1 1 A 57 57 ASN CB C 57 37.887 38.404 -0.517 1
1 636 . 5 1 1 A 57 57 ASN N N 57 118.635 118.493 0.142 1
1 638 . 5 1 1 A 58 58 ARG H H 58 8.347 7.819 0.528 1
1 639 . 5 1 1 A 58 58 ARG HA H 58 3.419 3.545 -0.126 1
1 646 . 5 1 1 A 58 58 ARG C C 58 179.637 178.230 1.407 1
1 647 . 5 1 1 A 58 58 ARG CA C 58 56.820 59.463 -2.643 1
1 648 . 5 1 1 A 58 58 ARG CB C 58 28.359 29.205 -0.846 1
1 651 . 5 1 1 A 58 58 ARG N N 58 123.884 118.820 5.064 1
1 652 . 5 1 1 A 59 59 ARG H H 59 8.184 8.103 0.081 1
1 653 . 5 1 1 A 59 59 ARG HA H 59 4.124 4.217 -0.093 1
1 659 . 5 1 1 A 59 59 ARG C C 59 178.836 178.439 0.397 1
1 660 . 5 1 1 A 59 59 ARG CA C 59 60.478 59.579 0.899 1
1 661 . 5 1 1 A 59 59 ARG CB C 59 31.667 30.138 1.529 1
1 664 . 5 1 1 A 59 59 ARG N N 59 117.828 120.019 -2.191 1
1 665 . 5 1 1 A 60 60 ALA H H 60 7.407 7.957 -0.550 1
1 666 . 5 1 1 A 60 60 ALA HA H 60 4.183 4.123 0.060 1
1 670 . 5 1 1 A 60 60 ALA C C 60 179.370 179.287 0.083 1
1 671 . 5 1 1 A 60 60 ALA CA C 60 54.509 55.117 -0.608 1
1 672 . 5 1 1 A 60 60 ALA CB C 60 18.207 18.310 -0.103 1
1 673 . 5 1 1 A 60 60 ALA N N 60 121.238 121.305 -0.067 1
1 674 . 5 1 1 A 61 61 LYS H H 61 7.564 8.138 -0.574 1
1 675 . 5 1 1 A 61 61 LYS HA H 61 4.143 3.880 0.263 1
1 684 . 5 1 1 A 61 61 LYS C C 61 177.767 178.491 -0.724 1
1 685 . 5 1 1 A 61 61 LYS CA C 61 57.671 59.501 -1.830 1
1 686 . 5 1 1 A 61 61 LYS CB C 61 32.490 32.268 0.222 1
1 690 . 5 1 1 A 61 61 LYS N N 61 118.322 117.961 0.361 1
1 691 . 5 1 1 A 62 62 CYS H H 62 7.725 7.826 -0.101 1
1 692 . 5 1 1 A 62 62 CYS HA H 62 4.401 3.942 0.459 1
1 695 . 5 1 1 A 62 62 CYS C C 62 175.752 176.783 -1.031 1
1 696 . 5 1 1 A 62 62 CYS CA C 62 60.540 62.884 -2.344 1
1 697 . 5 1 1 A 62 62 CYS CB C 62 27.654 26.723 0.931 1
1 698 . 5 1 1 A 62 62 CYS N N 62 117.981 118.646 -0.665 1
1 699 . 5 1 1 A 63 63 ARG H H 63 8.044 8.283 -0.239 1
1 700 . 5 1 1 A 63 63 ARG HA H 63 4.273 3.954 0.319 1
1 705 . 5 1 1 A 63 63 ARG C C 63 177.233 178.362 -1.129 1
1 706 . 5 1 1 A 63 63 ARG CA C 63 57.631 59.702 -2.071 1
1 707 . 5 1 1 A 63 63 ARG CB C 63 30.347 29.902 0.445 1
1 710 . 5 1 1 A 63 63 ARG N N 63 121.313 120.774 0.539 1
1 711 . 5 1 1 A 64 64 GLN H H 64 8.217 7.718 0.499 1
1 712 . 5 1 1 A 64 64 GLN HA H 64 4.262 4.006 0.256 1
1 718 . 5 1 1 A 64 64 GLN C C 64 176.942 177.381 -0.439 1
1 719 . 5 1 1 A 64 64 GLN CA C 64 57.172 59.136 -1.964 1
1 720 . 5 1 1 A 64 64 GLN CB C 64 29.129 28.319 0.810 1
1 722 . 5 1 1 A 64 64 GLN N N 64 120.369 119.285 1.084 1
1 724 . 5 1 1 A 71 71 ASN CB C 71 37.967 40.332 -2.365 1
1 726 . 5 1 1 A 72 72 GLY HA2 H 72 3.984 3.994 -0.010 1
1 727 . 5 1 1 A 72 72 GLY HA3 H 72 3.984 3.994 -0.010 1
1 728 . 5 1 1 A 72 72 GLY C C 72 174.877 173.011 1.866 1
1 729 . 5 1 1 A 72 72 GLY CA C 72 45.604 46.123 -0.519 1
1 730 . 5 1 1 A 73 73 GLY H H 73 8.288 8.804 -0.516 1
1 731 . 5 1 1 A 73 73 GLY HA2 H 73 3.986 4.192 -0.206 1
1 732 . 5 1 1 A 73 73 GLY HA3 H 73 3.986 4.192 -0.206 1
1 733 . 5 1 1 A 73 73 GLY C C 73 174.319 172.587 1.732 1
1 734 . 5 1 1 A 73 73 GLY CA C 73 45.322 45.709 -0.387 1
1 735 . 5 1 1 A 73 73 GLY N N 73 108.597 111.586 -2.989 1
1 736 . 5 1 1 A 74 74 GLN H H 74 8.281 8.715 -0.434 1
1 737 . 5 1 1 A 74 74 GLN HA H 74 4.413 5.249 -0.836 1
1 743 . 5 1 1 A 74 74 GLN C C 74 176.262 174.282 1.980 1
1 744 . 5 1 1 A 74 74 GLN CA C 74 55.973 53.753 2.220 1
1 745 . 5 1 1 A 74 74 GLN CB C 74 29.605 32.712 -3.107 1
1 747 . 5 1 1 A 74 74 GLN N N 74 119.866 121.733 -1.867 1
1 749 . 5 1 1 A 75 75 SER H H 75 8.432 8.836 -0.404 1
1 750 . 5 1 1 A 75 75 SER HA H 75 4.524 4.910 -0.386 1
1 753 . 5 1 1 A 75 75 SER C C 75 174.586 172.363 2.223 1
1 754 . 5 1 1 A 75 75 SER CA C 75 58.513 57.589 0.924 1
1 755 . 5 1 1 A 75 75 SER CB C 75 64.061 65.932 -1.871 1
1 756 . 5 1 1 A 75 75 SER N N 75 117.073 113.886 3.187 1
1 757 . 5 1 1 A 76 76 GLY H H 76 8.244 8.576 -0.332 1
1 758 . 5 1 1 A 76 76 GLY HA2 H 76 4.171 4.352 -0.181 1
1 759 . 5 1 1 A 76 76 GLY HA3 H 76 4.102 4.352 -0.250 1
1 760 . 5 1 1 A 76 76 GLY C C 76 171.842 171.797 0.045 1
1 761 . 5 1 1 A 76 76 GLY CA C 76 44.617 44.586 0.031 1
1 762 . 5 1 1 A 76 76 GLY N N 76 110.727 111.553 -0.826 1
1 763 . 5 1 1 A 77 77 PRO HA H 77 4.494 4.685 -0.191 1
1 770 . 5 1 1 A 77 77 PRO C C 77 177.476 176.184 1.292 1
1 771 . 5 1 1 A 77 77 PRO CA C 77 63.380 62.842 0.538 1
1 772 . 5 1 1 A 77 77 PRO CB C 77 32.231 31.840 0.391 1
1 775 . 5 1 1 A 78 78 SER H H 78 8.526 8.766 -0.240 1
1 776 . 5 1 1 A 78 78 SER HA H 78 4.514 4.818 -0.304 1
1 779 . 5 1 1 A 78 78 SER C C 78 174.756 172.520 2.236 1
1 780 . 5 1 1 A 78 78 SER CA C 78 58.513 57.981 0.532 1
1 781 . 5 1 1 A 78 78 SER CB C 78 63.896 63.378 0.518 1
1 782 . 5 1 1 A 78 78 SER N N 78 116.438 120.778 -4.340 1
1 783 . 5 1 1 A 79 79 SER H H 79 8.329 8.840 -0.511 1
1 784 . 5 1 1 A 79 79 SER HA H 79 4.502 4.812 -0.310 1
1 787 . 5 1 1 A 79 79 SER C C 79 173.954 173.970 -0.016 1
1 788 . 5 1 1 A 79 79 SER CA C 79 58.477 57.077 1.400 1
1 789 . 5 1 1 A 79 79 SER CB C 79 64.019 63.548 0.471 1
1 790 . 5 1 1 A 79 79 SER N N 79 117.859 121.393 -3.534 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.978 4.128 -0.150 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.978 4.129 -0.151 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.149 172.143 2.006 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.393 44.038 1.355 1
1 5 . 6 1 1 A 8 8 ARG H H 8 8.135 8.303 -0.168 1
1 6 . 6 1 1 A 8 8 ARG C C 8 176.480 176.469 0.011 1
1 7 . 6 1 1 A 8 8 ARG CA C 8 56.589 54.137 2.452 1
1 8 . 6 1 1 A 8 8 ARG CB C 8 30.686 33.584 -2.898 1
1 11 . 6 1 1 A 8 8 ARG N N 8 120.720 120.327 0.393 1
1 12 . 6 1 1 A 9 9 ARG H H 9 8.471 8.959 -0.488 1
1 13 . 6 1 1 A 9 9 ARG HA H 9 4.288 3.894 0.394 1
1 14 . 6 1 1 A 9 9 ARG C C 9 176.504 175.601 0.903 1
1 15 . 6 1 1 A 9 9 ARG CA C 9 56.432 60.096 -3.664 1
1 16 . 6 1 1 A 9 9 ARG CB C 9 30.466 30.472 -0.006 1
1 17 . 6 1 1 A 9 9 ARG N N 9 122.487 125.840 -3.353 1
1 18 . 6 1 1 A 13 13 THR HA H 13 4.365 4.463 -0.098 1
1 23 . 6 1 1 A 13 13 THR C C 13 173.954 173.358 0.596 1
1 24 . 6 1 1 A 13 13 THR CA C 13 61.440 61.248 0.192 1
1 25 . 6 1 1 A 13 13 THR CB C 13 70.210 68.339 1.871 1
1 27 . 6 1 1 A 14 14 PHE H H 14 8.297 7.795 0.502 1
1 28 . 6 1 1 A 14 14 PHE HA H 14 4.941 5.252 -0.311 1
1 36 . 6 1 1 A 14 14 PHE C C 14 176.650 175.915 0.735 1
1 37 . 6 1 1 A 14 14 PHE CA C 14 57.077 56.742 0.335 1
1 38 . 6 1 1 A 14 14 PHE CB C 14 41.503 40.676 0.827 1
1 44 . 6 1 1 A 14 14 PHE N N 14 121.677 121.778 -0.101 1
1 45 . 6 1 1 A 15 15 THR H H 15 9.009 9.123 -0.114 1
1 46 . 6 1 1 A 15 15 THR HA H 15 4.493 4.814 -0.321 1
1 51 . 6 1 1 A 15 15 THR C C 15 175.314 175.533 -0.219 1
1 52 . 6 1 1 A 15 15 THR CA C 15 60.359 60.345 0.014 1
1 53 . 6 1 1 A 15 15 THR CB C 15 70.902 71.305 -0.403 1
1 55 . 6 1 1 A 15 15 THR N N 15 113.381 115.542 -2.161 1
1 56 . 6 1 1 A 16 16 ARG H H 16 8.882 8.934 -0.052 1
1 57 . 6 1 1 A 16 16 ARG HA H 16 3.986 3.976 0.010 1
1 64 . 6 1 1 A 16 16 ARG C C 16 177.670 178.023 -0.353 1
1 65 . 6 1 1 A 16 16 ARG CA C 16 59.042 60.072 -1.030 1
1 66 . 6 1 1 A 16 16 ARG CB C 16 30.100 29.787 0.313 1
1 69 . 6 1 1 A 16 16 ARG N N 16 122.206 122.790 -0.584 1
1 70 . 6 1 1 A 17 17 ALA H H 17 8.251 8.192 0.059 1
1 71 . 6 1 1 A 17 17 ALA HA H 17 4.159 4.056 0.103 1
1 75 . 6 1 1 A 17 17 ALA C C 17 181.386 179.992 1.394 1
1 76 . 6 1 1 A 17 17 ALA CA C 17 54.986 55.063 -0.077 1
1 77 . 6 1 1 A 17 17 ALA CB C 17 18.333 18.462 -0.129 1
1 78 . 6 1 1 A 17 17 ALA N N 17 119.149 121.074 -1.925 1
1 79 . 6 1 1 A 18 18 GLN H H 18 7.533 7.731 -0.198 1
1 80 . 6 1 1 A 18 18 GLN HA H 18 3.858 4.021 -0.163 1
1 87 . 6 1 1 A 18 18 GLN C C 18 177.986 178.314 -0.328 1
1 88 . 6 1 1 A 18 18 GLN CA C 18 58.790 59.144 -0.354 1
1 89 . 6 1 1 A 18 18 GLN CB C 18 28.603 28.599 0.004 1
1 91 . 6 1 1 A 18 18 GLN N N 18 116.295 118.078 -1.783 1
1 93 . 6 1 1 A 19 19 LEU H H 19 8.417 8.518 -0.101 1
1 94 . 6 1 1 A 19 19 LEU HA H 19 3.547 3.633 -0.086 1
1 104 . 6 1 1 A 19 19 LEU C C 19 178.617 178.328 0.289 1
1 105 . 6 1 1 A 19 19 LEU CA C 19 57.745 57.576 0.169 1
1 106 . 6 1 1 A 19 19 LEU CB C 19 41.584 41.643 -0.059 1
1 110 . 6 1 1 A 19 19 LEU N N 19 118.955 120.657 -1.702 1
1 111 . 6 1 1 A 20 20 ASP H H 20 8.537 7.975 0.562 1
1 112 . 6 1 1 A 20 20 ASP HA H 20 4.291 4.259 0.032 1
1 115 . 6 1 1 A 20 20 ASP C C 20 179.783 178.536 1.247 1
1 116 . 6 1 1 A 20 20 ASP CA C 20 57.666 57.349 0.317 1
1 117 . 6 1 1 A 20 20 ASP CB C 20 39.965 40.977 -1.012 1
1 118 . 6 1 1 A 20 20 ASP N N 20 118.356 118.401 -0.045 1
1 119 . 6 1 1 A 21 21 VAL H H 21 7.006 7.822 -0.816 1
1 120 . 6 1 1 A 21 21 VAL HA H 21 3.667 3.500 0.167 1
1 128 . 6 1 1 A 21 21 VAL C C 21 178.836 177.626 1.210 1
1 129 . 6 1 1 A 21 21 VAL CA C 21 66.062 66.598 -0.536 1
1 130 . 6 1 1 A 21 21 VAL CB C 21 32.006 31.445 0.561 1
1 133 . 6 1 1 A 21 21 VAL N N 21 120.507 118.710 1.797 1
1 134 . 6 1 1 A 22 22 LEU H H 22 7.638 7.978 -0.340 1
1 135 . 6 1 1 A 22 22 LEU HA H 22 3.557 3.597 -0.040 1
1 145 . 6 1 1 A 22 22 LEU C C 22 178.277 178.870 -0.593 1
1 146 . 6 1 1 A 22 22 LEU CA C 22 58.595 57.985 0.610 1
1 147 . 6 1 1 A 22 22 LEU CB C 22 38.402 40.581 -2.179 1
1 151 . 6 1 1 A 22 22 LEU N N 22 122.874 118.489 4.385 1
1 152 . 6 1 1 A 23 23 GLU H H 23 8.880 8.112 0.768 1
1 153 . 6 1 1 A 23 23 GLU HA H 23 4.162 3.962 0.200 1
1 157 . 6 1 1 A 23 23 GLU C C 23 180.123 178.878 1.245 1
1 158 . 6 1 1 A 23 23 GLU CA C 23 59.182 58.908 0.274 1
1 159 . 6 1 1 A 23 23 GLU CB C 23 29.111 29.818 -0.707 1
1 161 . 6 1 1 A 23 23 GLU N N 23 117.314 117.441 -0.127 1
1 162 . 6 1 1 A 24 24 ALA H H 24 7.614 8.239 -0.625 1
1 163 . 6 1 1 A 24 24 ALA HA H 24 4.273 4.084 0.189 1
1 167 . 6 1 1 A 24 24 ALA C C 24 180.560 179.577 0.983 1
1 168 . 6 1 1 A 24 24 ALA CA C 24 55.023 54.795 0.228 1
1 169 . 6 1 1 A 24 24 ALA CB C 24 17.775 18.665 -0.890 1
1 170 . 6 1 1 A 24 24 ALA N N 24 122.032 122.194 -0.162 1
1 171 . 6 1 1 A 25 25 LEU H H 25 7.673 7.827 -0.154 1
1 172 . 6 1 1 A 25 25 LEU HA H 25 4.507 4.167 0.340 1
1 182 . 6 1 1 A 25 25 LEU C C 25 177.694 178.811 -1.117 1
1 183 . 6 1 1 A 25 25 LEU CA C 25 57.913 57.332 0.581 1
1 184 . 6 1 1 A 25 25 LEU CB C 25 40.753 41.930 -1.177 1
1 188 . 6 1 1 A 25 25 LEU N N 25 120.067 120.053 0.014 1
1 189 . 6 1 1 A 26 26 PHE H H 26 8.839 8.420 0.419 1
1 190 . 6 1 1 A 26 26 PHE HA H 26 4.765 4.218 0.547 1
1 198 . 6 1 1 A 26 26 PHE C C 26 175.800 177.973 -2.173 1
1 199 . 6 1 1 A 26 26 PHE CA C 26 61.017 60.494 0.523 1
1 200 . 6 1 1 A 26 26 PHE CB C 26 39.167 39.203 -0.036 1
1 206 . 6 1 1 A 26 26 PHE N N 26 121.428 119.969 1.459 1
1 207 . 6 1 1 A 27 27 ALA H H 27 7.825 8.074 -0.249 1
1 208 . 6 1 1 A 27 27 ALA HA H 27 4.062 4.268 -0.206 1
1 212 . 6 1 1 A 27 27 ALA C C 27 179.273 179.017 0.256 1
1 213 . 6 1 1 A 27 27 ALA CA C 27 53.975 54.788 -0.813 1
1 214 . 6 1 1 A 27 27 ALA CB C 27 18.276 18.595 -0.319 1
1 215 . 6 1 1 A 27 27 ALA N N 27 116.175 121.341 -5.166 1
1 216 . 6 1 1 A 28 28 LYS H H 28 7.618 7.812 -0.194 1
1 217 . 6 1 1 A 28 28 LYS HA H 28 4.251 4.391 -0.140 1
1 225 . 6 1 1 A 28 28 LYS C C 28 177.354 176.068 1.286 1
1 226 . 6 1 1 A 28 28 LYS CA C 28 58.122 58.160 -0.038 1
1 227 . 6 1 1 A 28 28 LYS CB C 28 33.315 33.292 0.023 1
1 231 . 6 1 1 A 28 28 LYS N N 28 118.586 113.592 4.994 1
1 232 . 6 1 1 A 29 29 THR H H 29 8.820 8.056 0.764 1
1 233 . 6 1 1 A 29 29 THR HA H 29 4.410 4.642 -0.232 1
1 238 . 6 1 1 A 29 29 THR C C 29 170.360 174.138 -3.778 1
1 239 . 6 1 1 A 29 29 THR CA C 29 59.749 61.337 -1.588 1
1 240 . 6 1 1 A 29 29 THR CB C 29 68.972 70.965 -1.993 1
1 242 . 6 1 1 A 29 29 THR N N 29 116.094 112.966 3.128 1
1 243 . 6 1 1 A 30 30 ARG H H 30 8.203 8.497 -0.294 1
1 244 . 6 1 1 A 30 30 ARG HA H 30 3.957 3.592 0.365 1
1 251 . 6 1 1 A 30 30 ARG C C 30 175.120 175.739 -0.619 1
1 252 . 6 1 1 A 30 30 ARG CA C 30 56.750 58.577 -1.827 1
1 253 . 6 1 1 A 30 30 ARG CB C 30 30.444 30.156 0.288 1
1 256 . 6 1 1 A 30 30 ARG N N 30 122.783 127.330 -4.547 1
1 257 . 6 1 1 A 31 31 TYR H H 31 8.002 7.973 0.029 1
1 258 . 6 1 1 A 31 31 TYR HA H 31 4.686 5.020 -0.334 1
1 265 . 6 1 1 A 31 31 TYR C C 31 172.910 172.775 0.135 1
1 266 . 6 1 1 A 31 31 TYR CA C 31 55.303 54.719 0.584 1
1 267 . 6 1 1 A 31 31 TYR CB C 31 39.057 38.435 0.622 1
1 272 . 6 1 1 A 31 31 TYR N N 31 114.710 116.467 -1.757 1
1 273 . 6 1 1 A 32 32 PRO HA H 32 4.427 4.584 -0.157 1
1 280 . 6 1 1 A 32 32 PRO C C 32 177.257 176.132 1.125 1
1 281 . 6 1 1 A 32 32 PRO CA C 32 62.838 63.063 -0.225 1
1 282 . 6 1 1 A 32 32 PRO CB C 32 32.082 31.918 0.164 1
1 285 . 6 1 1 A 33 33 ASP H H 33 7.804 8.633 -0.829 1
1 286 . 6 1 1 A 33 33 ASP HA H 33 4.509 4.793 -0.284 1
1 289 . 6 1 1 A 33 33 ASP C C 33 176.286 176.898 -0.612 1
1 290 . 6 1 1 A 33 33 ASP CA C 33 52.894 53.320 -0.426 1
1 291 . 6 1 1 A 33 33 ASP CB C 33 41.475 42.077 -0.602 1
1 292 . 6 1 1 A 33 33 ASP N N 33 123.553 121.674 1.879 1
1 293 . 6 1 1 A 34 34 ILE H H 34 8.429 8.602 -0.173 1
1 294 . 6 1 1 A 34 34 ILE HA H 34 3.700 3.900 -0.200 1
1 304 . 6 1 1 A 34 34 ILE C C 34 175.412 177.568 -2.156 1
1 305 . 6 1 1 A 34 34 ILE CA C 34 63.602 64.038 -0.436 1
1 306 . 6 1 1 A 34 34 ILE CB C 34 37.846 37.749 0.097 1
1 310 . 6 1 1 A 34 34 ILE N N 34 117.269 125.173 -7.904 1
1 311 . 6 1 1 A 35 35 PHE H H 35 7.086 7.726 -0.640 1
1 312 . 6 1 1 A 35 35 PHE HA H 35 4.287 4.271 0.016 1
1 320 . 6 1 1 A 35 35 PHE C C 35 179.589 178.363 1.226 1
1 321 . 6 1 1 A 35 35 PHE CA C 35 60.676 60.389 0.287 1
1 322 . 6 1 1 A 35 35 PHE CB C 35 37.731 38.318 -0.587 1
1 328 . 6 1 1 A 35 35 PHE N N 35 121.852 121.236 0.616 1
1 329 . 6 1 1 A 36 36 MET H H 36 8.559 8.336 0.223 1
1 330 . 6 1 1 A 36 36 MET HA H 36 4.216 4.081 0.135 1
1 338 . 6 1 1 A 36 36 MET C C 36 179.904 178.717 1.187 1
1 339 . 6 1 1 A 36 36 MET CA C 36 58.849 59.064 -0.215 1
1 340 . 6 1 1 A 36 36 MET CB C 36 33.757 32.719 1.038 1
1 343 . 6 1 1 A 36 36 MET N N 36 120.502 117.573 2.929 1
1 344 . 6 1 1 A 37 37 ARG H H 37 8.495 7.943 0.552 1
1 345 . 6 1 1 A 37 37 ARG HA H 37 3.839 3.981 -0.142 1
1 352 . 6 1 1 A 37 37 ARG C C 37 178.326 179.333 -1.007 1
1 353 . 6 1 1 A 37 37 ARG CA C 37 60.738 59.761 0.977 1
1 354 . 6 1 1 A 37 37 ARG CB C 37 31.601 29.943 1.658 1
1 357 . 6 1 1 A 37 37 ARG N N 37 117.379 118.892 -1.513 1
1 358 . 6 1 1 A 38 38 GLU H H 38 8.793 8.215 0.578 1
1 359 . 6 1 1 A 38 38 GLU HA H 38 4.028 4.071 -0.043 1
1 364 . 6 1 1 A 38 38 GLU C C 38 179.079 179.297 -0.218 1
1 365 . 6 1 1 A 38 38 GLU CA C 38 59.682 59.132 0.550 1
1 366 . 6 1 1 A 38 38 GLU CB C 38 29.555 29.205 0.350 1
1 368 . 6 1 1 A 38 38 GLU N N 38 119.411 119.713 -0.302 1
1 369 . 6 1 1 A 39 39 GLU H H 39 7.909 8.039 -0.130 1
1 370 . 6 1 1 A 39 39 GLU HA H 39 4.090 4.047 0.043 1
1 375 . 6 1 1 A 39 39 GLU C C 39 179.662 179.083 0.579 1
1 376 . 6 1 1 A 39 39 GLU CA C 39 59.776 59.459 0.317 1
1 377 . 6 1 1 A 39 39 GLU CB C 39 29.688 29.414 0.274 1
1 379 . 6 1 1 A 39 39 GLU N N 39 119.625 120.438 -0.813 1
1 380 . 6 1 1 A 40 40 VAL H H 40 7.732 8.002 -0.270 1
1 381 . 6 1 1 A 40 40 VAL HA H 40 3.836 3.590 0.246 1
1 389 . 6 1 1 A 40 40 VAL C C 40 176.674 178.024 -1.350 1
1 390 . 6 1 1 A 40 40 VAL CA C 40 65.856 66.781 -0.925 1
1 391 . 6 1 1 A 40 40 VAL CB C 40 31.416 31.544 -0.128 1
1 394 . 6 1 1 A 40 40 VAL N N 40 118.226 120.340 -2.114 1
1 395 . 6 1 1 A 41 41 ALA H H 41 8.405 8.388 0.017 1
1 396 . 6 1 1 A 41 41 ALA HA H 41 3.843 4.026 -0.183 1
1 400 . 6 1 1 A 41 41 ALA C C 41 179.856 179.574 0.282 1
1 401 . 6 1 1 A 41 41 ALA CA C 41 56.009 54.763 1.246 1
1 402 . 6 1 1 A 41 41 ALA CB C 41 17.646 18.540 -0.894 1
1 403 . 6 1 1 A 41 41 ALA N N 41 124.532 121.113 3.419 1
1 404 . 6 1 1 A 42 42 LEU H H 42 7.711 7.676 0.035 1
1 405 . 6 1 1 A 42 42 LEU HA H 42 4.199 4.138 0.061 1
1 415 . 6 1 1 A 42 42 LEU C C 42 180.317 179.116 1.201 1
1 416 . 6 1 1 A 42 42 LEU CA C 42 57.484 56.561 0.923 1
1 417 . 6 1 1 A 42 42 LEU CB C 42 42.346 42.023 0.323 1
1 421 . 6 1 1 A 42 42 LEU N N 42 116.217 119.135 -2.918 1
1 422 . 6 1 1 A 43 43 LYS H H 43 7.615 8.340 -0.725 1
1 423 . 6 1 1 A 43 43 LYS HA H 43 4.133 4.056 0.077 1
1 432 . 6 1 1 A 43 43 LYS C C 43 178.933 179.274 -0.341 1
1 433 . 6 1 1 A 43 43 LYS CA C 43 59.269 59.306 -0.037 1
1 434 . 6 1 1 A 43 43 LYS CB C 43 33.232 32.469 0.763 1
1 438 . 6 1 1 A 43 43 LYS N N 43 118.909 120.781 -1.872 1
1 439 . 6 1 1 A 44 44 ILE H H 44 8.057 8.063 -0.006 1
1 440 . 6 1 1 A 44 44 ILE HA H 44 4.638 4.083 0.555 1
1 450 . 6 1 1 A 44 44 ILE C C 44 174.853 175.822 -0.969 1
1 451 . 6 1 1 A 44 44 ILE CA C 44 60.676 61.973 -1.297 1
1 452 . 6 1 1 A 44 44 ILE CB C 44 38.258 37.645 0.613 1
1 456 . 6 1 1 A 44 44 ILE N N 44 108.541 115.082 -6.541 1
1 457 . 6 1 1 A 45 45 ASN H H 45 7.885 8.008 -0.123 1
1 458 . 6 1 1 A 45 45 ASN HA H 45 4.400 4.271 0.129 1
1 463 . 6 1 1 A 45 45 ASN C C 45 173.857 173.778 0.079 1
1 464 . 6 1 1 A 45 45 ASN CA C 45 54.104 54.437 -0.333 1
1 465 . 6 1 1 A 45 45 ASN CB C 45 37.082 36.474 0.608 1
1 466 . 6 1 1 A 45 45 ASN N N 45 119.396 116.711 2.685 1
1 468 . 6 1 1 A 46 46 LEU H H 46 8.195 7.923 0.272 1
1 469 . 6 1 1 A 46 46 LEU HA H 46 4.961 4.809 0.152 1
1 479 . 6 1 1 A 46 46 LEU CA C 46 52.101 51.493 0.608 1
1 480 . 6 1 1 A 46 46 LEU CB C 46 46.563 45.307 1.256 1
1 484 . 6 1 1 A 46 46 LEU N N 46 119.142 119.072 0.070 1
1 485 . 6 1 1 A 47 47 PRO HA H 47 4.547 4.681 -0.134 1
1 492 . 6 1 1 A 47 47 PRO C C 47 178.350 177.842 0.508 1
1 493 . 6 1 1 A 47 47 PRO CA C 47 62.434 62.854 -0.420 1
1 494 . 6 1 1 A 47 47 PRO CB C 47 32.295 31.697 0.598 1
1 497 . 6 1 1 A 48 48 GLU H H 48 9.242 9.069 0.173 1
1 498 . 6 1 1 A 48 48 GLU HA H 48 3.689 4.016 -0.327 1
1 503 . 6 1 1 A 48 48 GLU C C 48 178.326 178.209 0.117 1
1 504 . 6 1 1 A 48 48 GLU CA C 48 61.058 59.631 1.427 1
1 505 . 6 1 1 A 48 48 GLU CB C 48 28.537 29.598 -1.061 1
1 507 . 6 1 1 A 48 48 GLU N N 48 125.487 125.237 0.250 1
1 508 . 6 1 1 A 49 49 SER H H 49 8.653 8.146 0.507 1
1 509 . 6 1 1 A 49 49 SER HA H 49 4.058 4.133 -0.075 1
1 512 . 6 1 1 A 49 49 SER C C 49 177.549 176.854 0.695 1
1 513 . 6 1 1 A 49 49 SER CA C 49 61.266 62.025 -0.759 1
1 514 . 6 1 1 A 49 49 SER CB C 49 61.658 62.901 -1.243 1
1 515 . 6 1 1 A 49 49 SER N N 49 113.467 117.715 -4.248 1
1 516 . 6 1 1 A 50 50 ARG H H 50 7.489 7.758 -0.269 1
1 517 . 6 1 1 A 50 50 ARG HA H 50 4.344 4.254 0.090 1
1 524 . 6 1 1 A 50 50 ARG C C 50 179.467 179.117 0.350 1
1 525 . 6 1 1 A 50 50 ARG CA C 50 57.575 59.501 -1.926 1
1 526 . 6 1 1 A 50 50 ARG CB C 50 29.523 30.311 -0.788 1
1 529 . 6 1 1 A 50 50 ARG N N 50 120.329 121.650 -1.321 1
1 530 . 6 1 1 A 51 51 VAL H H 51 7.598 7.553 0.045 1
1 531 . 6 1 1 A 51 51 VAL HA H 51 3.733 3.730 0.003 1
1 539 . 6 1 1 A 51 51 VAL C C 51 177.767 178.048 -0.281 1
1 540 . 6 1 1 A 51 51 VAL CA C 51 67.082 66.380 0.702 1
1 541 . 6 1 1 A 51 51 VAL CB C 51 31.945 31.760 0.185 1
1 544 . 6 1 1 A 51 51 VAL N N 51 121.456 120.144 1.312 1
1 545 . 6 1 1 A 52 52 GLN H H 52 8.579 8.091 0.488 1
1 546 . 6 1 1 A 52 52 GLN HA H 52 4.338 3.843 0.495 1
1 553 . 6 1 1 A 52 52 GLN C C 52 178.836 178.639 0.197 1
1 554 . 6 1 1 A 52 52 GLN CA C 52 60.257 58.930 1.327 1
1 555 . 6 1 1 A 52 52 GLN CB C 52 28.377 28.024 0.353 1
1 557 . 6 1 1 A 52 52 GLN N N 52 119.679 120.174 -0.495 1
1 559 . 6 1 1 A 53 53 VAL H H 53 7.777 8.014 -0.237 1
1 560 . 6 1 1 A 53 53 VAL HA H 53 3.667 3.730 -0.063 1
1 568 . 6 1 1 A 53 53 VAL C C 53 177.379 178.217 -0.838 1
1 569 . 6 1 1 A 53 53 VAL CA C 53 67.004 66.361 0.643 1
1 570 . 6 1 1 A 53 53 VAL CB C 53 32.237 31.889 0.348 1
1 573 . 6 1 1 A 53 53 VAL N N 53 119.215 119.743 -0.528 1
1 574 . 6 1 1 A 54 54 TRP H H 54 8.177 8.539 -0.362 1
1 575 . 6 1 1 A 54 54 TRP HA H 54 4.074 4.286 -0.212 1
1 584 . 6 1 1 A 54 54 TRP C C 54 179.589 178.237 1.352 1
1 585 . 6 1 1 A 54 54 TRP CA C 54 63.273 60.682 2.591 1
1 586 . 6 1 1 A 54 54 TRP CB C 54 28.458 29.899 -1.441 1
1 592 . 6 1 1 A 54 54 TRP N N 54 120.980 121.005 -0.025 1
1 594 . 6 1 1 A 55 55 PHE H H 55 8.755 8.412 0.343 1
1 595 . 6 1 1 A 55 55 PHE HA H 55 3.626 4.549 -0.923 1
1 603 . 6 1 1 A 55 55 PHE C C 55 177.937 178.907 -0.970 1
1 604 . 6 1 1 A 55 55 PHE CA C 55 64.064 61.604 2.460 1
1 605 . 6 1 1 A 55 55 PHE CB C 55 39.579 39.258 0.321 1
1 611 . 6 1 1 A 55 55 PHE N N 55 118.177 117.475 0.702 1
1 612 . 6 1 1 A 56 56 LYS H H 56 8.169 8.237 -0.068 1
1 613 . 6 1 1 A 56 56 LYS HA H 56 3.914 4.111 -0.197 1
1 620 . 6 1 1 A 56 56 LYS C C 56 179.929 178.783 1.146 1
1 621 . 6 1 1 A 56 56 LYS CA C 56 60.488 58.813 1.675 1
1 622 . 6 1 1 A 56 56 LYS CB C 56 32.243 31.743 0.500 1
1 626 . 6 1 1 A 56 56 LYS N N 56 119.649 117.865 1.784 1
1 627 . 6 1 1 A 57 57 ASN H H 57 8.238 7.790 0.448 1
1 628 . 6 1 1 A 57 57 ASN HA H 57 4.345 4.460 -0.115 1
1 633 . 6 1 1 A 57 57 ASN C C 57 177.379 177.491 -0.112 1
1 634 . 6 1 1 A 57 57 ASN CA C 57 55.515 55.390 0.125 1
1 635 . 6 1 1 A 57 57 ASN CB C 57 37.887 38.489 -0.602 1
1 636 . 6 1 1 A 57 57 ASN N N 57 118.635 118.054 0.581 1
1 638 . 6 1 1 A 58 58 ARG H H 58 8.347 7.259 1.088 1
1 639 . 6 1 1 A 58 58 ARG HA H 58 3.419 3.538 -0.119 1
1 646 . 6 1 1 A 58 58 ARG C C 58 179.637 177.845 1.792 1
1 647 . 6 1 1 A 58 58 ARG CA C 58 56.820 59.153 -2.333 1
1 648 . 6 1 1 A 58 58 ARG CB C 58 28.359 29.285 -0.926 1
1 651 . 6 1 1 A 58 58 ARG N N 58 123.884 120.022 3.862 1
1 652 . 6 1 1 A 59 59 ARG H H 59 8.184 7.614 0.570 1
1 653 . 6 1 1 A 59 59 ARG HA H 59 4.124 3.966 0.158 1
1 659 . 6 1 1 A 59 59 ARG C C 59 178.836 178.133 0.703 1
1 660 . 6 1 1 A 59 59 ARG CA C 59 60.478 59.515 0.963 1
1 661 . 6 1 1 A 59 59 ARG CB C 59 31.667 30.240 1.427 1
1 664 . 6 1 1 A 59 59 ARG N N 59 117.828 118.857 -1.029 1
1 665 . 6 1 1 A 60 60 ALA H H 60 7.407 8.164 -0.757 1
1 666 . 6 1 1 A 60 60 ALA HA H 60 4.183 4.065 0.118 1
1 670 . 6 1 1 A 60 60 ALA C C 60 179.370 179.380 -0.010 1
1 671 . 6 1 1 A 60 60 ALA CA C 60 54.509 55.226 -0.717 1
1 672 . 6 1 1 A 60 60 ALA CB C 60 18.207 18.476 -0.269 1
1 673 . 6 1 1 A 60 60 ALA N N 60 121.238 120.427 0.811 1
1 674 . 6 1 1 A 61 61 LYS H H 61 7.564 7.990 -0.426 1
1 675 . 6 1 1 A 61 61 LYS HA H 61 4.143 3.877 0.266 1
1 684 . 6 1 1 A 61 61 LYS C C 61 177.767 178.163 -0.396 1
1 685 . 6 1 1 A 61 61 LYS CA C 61 57.671 59.752 -2.081 1
1 686 . 6 1 1 A 61 61 LYS CB C 61 32.490 32.288 0.202 1
1 690 . 6 1 1 A 61 61 LYS N N 61 118.322 117.713 0.609 1
1 691 . 6 1 1 A 62 62 CYS H H 62 7.725 7.872 -0.147 1
1 692 . 6 1 1 A 62 62 CYS HA H 62 4.401 3.912 0.489 1
1 695 . 6 1 1 A 62 62 CYS C C 62 175.752 176.722 -0.970 1
1 696 . 6 1 1 A 62 62 CYS CA C 62 60.540 62.924 -2.384 1
1 697 . 6 1 1 A 62 62 CYS CB C 62 27.654 26.784 0.870 1
1 698 . 6 1 1 A 62 62 CYS N N 62 117.981 118.611 -0.630 1
1 699 . 6 1 1 A 63 63 ARG H H 63 8.044 7.864 0.180 1
1 700 . 6 1 1 A 63 63 ARG HA H 63 4.273 3.979 0.294 1
1 705 . 6 1 1 A 63 63 ARG C C 63 177.233 178.586 -1.353 1
1 706 . 6 1 1 A 63 63 ARG CA C 63 57.631 59.461 -1.830 1
1 707 . 6 1 1 A 63 63 ARG CB C 63 30.347 29.835 0.512 1
1 710 . 6 1 1 A 63 63 ARG N N 63 121.313 120.405 0.908 1
1 711 . 6 1 1 A 64 64 GLN H H 64 8.217 8.236 -0.019 1
1 712 . 6 1 1 A 64 64 GLN HA H 64 4.262 3.998 0.264 1
1 718 . 6 1 1 A 64 64 GLN C C 64 176.942 176.619 0.323 1
1 719 . 6 1 1 A 64 64 GLN CA C 64 57.172 59.010 -1.838 1
1 720 . 6 1 1 A 64 64 GLN CB C 64 29.129 28.589 0.540 1
1 722 . 6 1 1 A 64 64 GLN N N 64 120.369 118.389 1.980 1
1 724 . 6 1 1 A 71 71 ASN CB C 71 37.967 38.162 -0.195 1
1 726 . 6 1 1 A 72 72 GLY HA2 H 72 3.984 3.677 0.307 1
1 727 . 6 1 1 A 72 72 GLY HA3 H 72 3.984 3.679 0.305 1
1 728 . 6 1 1 A 72 72 GLY C C 72 174.877 174.717 0.160 1
1 729 . 6 1 1 A 72 72 GLY CA C 72 45.604 46.428 -0.824 1
1 730 . 6 1 1 A 73 73 GLY H H 73 8.288 8.576 -0.288 1
1 731 . 6 1 1 A 73 73 GLY HA2 H 73 3.986 4.134 -0.148 1
1 732 . 6 1 1 A 73 73 GLY HA3 H 73 3.986 4.138 -0.152 1
1 733 . 6 1 1 A 73 73 GLY C C 73 174.319 171.570 2.749 1
1 734 . 6 1 1 A 73 73 GLY CA C 73 45.322 44.454 0.868 1
1 735 . 6 1 1 A 73 73 GLY N N 73 108.597 109.197 -0.600 1
1 736 . 6 1 1 A 74 74 GLN H H 74 8.281 8.472 -0.191 1
1 737 . 6 1 1 A 74 74 GLN HA H 74 4.413 5.073 -0.660 1
1 743 . 6 1 1 A 74 74 GLN C C 74 176.262 173.841 2.421 1
1 744 . 6 1 1 A 74 74 GLN CA C 74 55.973 55.166 0.807 1
1 745 . 6 1 1 A 74 74 GLN CB C 74 29.605 32.911 -3.306 1
1 747 . 6 1 1 A 74 74 GLN N N 74 119.866 120.845 -0.979 1
1 749 . 6 1 1 A 75 75 SER H H 75 8.432 8.528 -0.096 1
1 750 . 6 1 1 A 75 75 SER HA H 75 4.524 5.137 -0.613 1
1 753 . 6 1 1 A 75 75 SER C C 75 174.586 173.199 1.387 1
1 754 . 6 1 1 A 75 75 SER CA C 75 58.513 57.496 1.017 1
1 755 . 6 1 1 A 75 75 SER CB C 75 64.061 66.075 -2.014 1
1 756 . 6 1 1 A 75 75 SER N N 75 117.073 116.550 0.523 1
1 757 . 6 1 1 A 76 76 GLY H H 76 8.244 8.327 -0.083 1
1 758 . 6 1 1 A 76 76 GLY HA2 H 76 4.171 4.239 -0.068 1
1 759 . 6 1 1 A 76 76 GLY HA3 H 76 4.102 4.239 -0.137 1
1 760 . 6 1 1 A 76 76 GLY C C 76 171.842 172.088 -0.246 1
1 761 . 6 1 1 A 76 76 GLY CA C 76 44.617 45.575 -0.958 1
1 762 . 6 1 1 A 76 76 GLY N N 76 110.727 108.310 2.417 1
1 763 . 6 1 1 A 77 77 PRO HA H 77 4.494 4.544 -0.050 1
1 770 . 6 1 1 A 77 77 PRO C C 77 177.476 176.362 1.114 1
1 771 . 6 1 1 A 77 77 PRO CA C 77 63.380 62.816 0.564 1
1 772 . 6 1 1 A 77 77 PRO CB C 77 32.231 31.970 0.261 1
1 775 . 6 1 1 A 78 78 SER H H 78 8.526 8.407 0.119 1
1 776 . 6 1 1 A 78 78 SER HA H 78 4.514 4.777 -0.263 1
1 779 . 6 1 1 A 78 78 SER C C 78 174.756 173.429 1.327 1
1 780 . 6 1 1 A 78 78 SER CA C 78 58.513 58.131 0.382 1
1 781 . 6 1 1 A 78 78 SER CB C 78 63.896 64.071 -0.175 1
1 782 . 6 1 1 A 78 78 SER N N 78 116.438 117.515 -1.077 1
1 783 . 6 1 1 A 79 79 SER H H 79 8.329 8.706 -0.377 1
1 784 . 6 1 1 A 79 79 SER HA H 79 4.502 4.854 -0.352 1
1 787 . 6 1 1 A 79 79 SER C C 79 173.954 173.022 0.932 1
1 788 . 6 1 1 A 79 79 SER CA C 79 58.477 57.559 0.918 1
1 789 . 6 1 1 A 79 79 SER CB C 79 64.019 65.502 -1.483 1
1 790 . 6 1 1 A 79 79 SER N N 79 117.859 121.349 -3.490 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.978 4.062 -0.084 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.978 4.063 -0.085 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.149 175.448 -1.299 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.393 46.013 -0.620 1
1 5 . 7 1 1 A 8 8 ARG H H 8 8.135 7.931 0.204 1
1 6 . 7 1 1 A 8 8 ARG C C 8 176.480 176.431 0.049 1
1 7 . 7 1 1 A 8 8 ARG CA C 8 56.589 57.834 -1.245 1
1 8 . 7 1 1 A 8 8 ARG CB C 8 30.686 32.189 -1.503 1
1 11 . 7 1 1 A 8 8 ARG N N 8 120.720 117.927 2.793 1
1 12 . 7 1 1 A 9 9 ARG H H 9 8.471 7.874 0.597 1
1 13 . 7 1 1 A 9 9 ARG HA H 9 4.288 3.955 0.333 1
1 14 . 7 1 1 A 9 9 ARG C C 9 176.504 175.714 0.790 1
1 15 . 7 1 1 A 9 9 ARG CA C 9 56.432 57.161 -0.729 1
1 16 . 7 1 1 A 9 9 ARG CB C 9 30.466 27.256 3.210 1
1 17 . 7 1 1 A 9 9 ARG N N 9 122.487 115.391 7.096 1
1 18 . 7 1 1 A 13 13 THR HA H 13 4.365 4.120 0.245 1
1 23 . 7 1 1 A 13 13 THR C C 13 173.954 175.004 -1.050 1
1 24 . 7 1 1 A 13 13 THR CA C 13 61.440 64.918 -3.478 1
1 25 . 7 1 1 A 13 13 THR CB C 13 70.210 68.934 1.276 1
1 27 . 7 1 1 A 14 14 PHE H H 14 8.297 8.124 0.173 1
1 28 . 7 1 1 A 14 14 PHE HA H 14 4.941 5.470 -0.529 1
1 36 . 7 1 1 A 14 14 PHE C C 14 176.650 174.858 1.792 1
1 37 . 7 1 1 A 14 14 PHE CA C 14 57.077 56.392 0.685 1
1 38 . 7 1 1 A 14 14 PHE CB C 14 41.503 41.534 -0.031 1
1 44 . 7 1 1 A 14 14 PHE N N 14 121.677 116.452 5.225 1
1 45 . 7 1 1 A 15 15 THR H H 15 9.009 8.822 0.187 1
1 46 . 7 1 1 A 15 15 THR HA H 15 4.493 4.703 -0.210 1
1 51 . 7 1 1 A 15 15 THR C C 15 175.314 175.451 -0.137 1
1 52 . 7 1 1 A 15 15 THR CA C 15 60.359 60.454 -0.095 1
1 53 . 7 1 1 A 15 15 THR CB C 15 70.902 70.684 0.218 1
1 55 . 7 1 1 A 15 15 THR N N 15 113.381 117.494 -4.113 1
1 56 . 7 1 1 A 16 16 ARG H H 16 8.882 9.011 -0.129 1
1 57 . 7 1 1 A 16 16 ARG HA H 16 3.986 3.909 0.077 1
1 64 . 7 1 1 A 16 16 ARG C C 16 177.670 178.577 -0.907 1
1 65 . 7 1 1 A 16 16 ARG CA C 16 59.042 60.202 -1.160 1
1 66 . 7 1 1 A 16 16 ARG CB C 16 30.100 30.096 0.004 1
1 69 . 7 1 1 A 16 16 ARG N N 16 122.206 127.605 -5.399 1
1 70 . 7 1 1 A 17 17 ALA H H 17 8.251 8.086 0.165 1
1 71 . 7 1 1 A 17 17 ALA HA H 17 4.159 4.044 0.115 1
1 75 . 7 1 1 A 17 17 ALA C C 17 181.386 180.356 1.030 1
1 76 . 7 1 1 A 17 17 ALA CA C 17 54.986 55.402 -0.416 1
1 77 . 7 1 1 A 17 17 ALA CB C 17 18.333 18.137 0.196 1
1 78 . 7 1 1 A 17 17 ALA N N 17 119.149 121.715 -2.566 1
1 79 . 7 1 1 A 18 18 GLN H H 18 7.533 8.312 -0.779 1
1 80 . 7 1 1 A 18 18 GLN HA H 18 3.858 4.017 -0.159 1
1 87 . 7 1 1 A 18 18 GLN C C 18 177.986 178.865 -0.879 1
1 88 . 7 1 1 A 18 18 GLN CA C 18 58.790 58.877 -0.087 1
1 89 . 7 1 1 A 18 18 GLN CB C 18 28.603 28.349 0.254 1
1 91 . 7 1 1 A 18 18 GLN N N 18 116.295 117.280 -0.985 1
1 93 . 7 1 1 A 19 19 LEU H H 19 8.417 8.438 -0.021 1
1 94 . 7 1 1 A 19 19 LEU HA H 19 3.547 3.967 -0.420 1
1 104 . 7 1 1 A 19 19 LEU C C 19 178.617 178.509 0.108 1
1 105 . 7 1 1 A 19 19 LEU CA C 19 57.745 57.139 0.606 1
1 106 . 7 1 1 A 19 19 LEU CB C 19 41.584 41.145 0.439 1
1 110 . 7 1 1 A 19 19 LEU N N 19 118.955 120.524 -1.569 1
1 111 . 7 1 1 A 20 20 ASP H H 20 8.537 8.607 -0.070 1
1 112 . 7 1 1 A 20 20 ASP HA H 20 4.291 4.374 -0.083 1
1 115 . 7 1 1 A 20 20 ASP C C 20 179.783 178.700 1.083 1
1 116 . 7 1 1 A 20 20 ASP CA C 20 57.666 57.561 0.105 1
1 117 . 7 1 1 A 20 20 ASP CB C 20 39.965 40.842 -0.877 1
1 118 . 7 1 1 A 20 20 ASP N N 20 118.356 120.397 -2.041 1
1 119 . 7 1 1 A 21 21 VAL H H 21 7.006 7.269 -0.263 1
1 120 . 7 1 1 A 21 21 VAL HA H 21 3.667 3.628 0.039 1
1 128 . 7 1 1 A 21 21 VAL C C 21 178.836 177.795 1.041 1
1 129 . 7 1 1 A 21 21 VAL CA C 21 66.062 66.138 -0.076 1
1 130 . 7 1 1 A 21 21 VAL CB C 21 32.006 31.738 0.268 1
1 133 . 7 1 1 A 21 21 VAL N N 21 120.507 120.303 0.204 1
1 134 . 7 1 1 A 22 22 LEU H H 22 7.638 7.870 -0.232 1
1 135 . 7 1 1 A 22 22 LEU HA H 22 3.557 3.610 -0.053 1
1 145 . 7 1 1 A 22 22 LEU C C 22 178.277 178.842 -0.565 1
1 146 . 7 1 1 A 22 22 LEU CA C 22 58.595 57.797 0.798 1
1 147 . 7 1 1 A 22 22 LEU CB C 22 38.402 40.525 -2.123 1
1 151 . 7 1 1 A 22 22 LEU N N 22 122.874 119.553 3.321 1
1 152 . 7 1 1 A 23 23 GLU H H 23 8.880 7.916 0.964 1
1 153 . 7 1 1 A 23 23 GLU HA H 23 4.162 4.112 0.050 1
1 157 . 7 1 1 A 23 23 GLU C C 23 180.123 178.814 1.309 1
1 158 . 7 1 1 A 23 23 GLU CA C 23 59.182 58.944 0.238 1
1 159 . 7 1 1 A 23 23 GLU CB C 23 29.111 29.751 -0.640 1
1 161 . 7 1 1 A 23 23 GLU N N 23 117.314 117.555 -0.241 1
1 162 . 7 1 1 A 24 24 ALA H H 24 7.614 7.689 -0.075 1
1 163 . 7 1 1 A 24 24 ALA HA H 24 4.273 4.090 0.183 1
1 167 . 7 1 1 A 24 24 ALA C C 24 180.560 179.647 0.913 1
1 168 . 7 1 1 A 24 24 ALA CA C 24 55.023 55.075 -0.052 1
1 169 . 7 1 1 A 24 24 ALA CB C 24 17.775 18.709 -0.934 1
1 170 . 7 1 1 A 24 24 ALA N N 24 122.032 122.572 -0.540 1
1 171 . 7 1 1 A 25 25 LEU H H 25 7.673 8.084 -0.411 1
1 172 . 7 1 1 A 25 25 LEU HA H 25 4.507 4.169 0.338 1
1 182 . 7 1 1 A 25 25 LEU C C 25 177.694 178.462 -0.768 1
1 183 . 7 1 1 A 25 25 LEU CA C 25 57.913 57.330 0.583 1
1 184 . 7 1 1 A 25 25 LEU CB C 25 40.753 41.624 -0.871 1
1 188 . 7 1 1 A 25 25 LEU N N 25 120.067 119.627 0.440 1
1 189 . 7 1 1 A 26 26 PHE H H 26 8.839 8.493 0.346 1
1 190 . 7 1 1 A 26 26 PHE HA H 26 4.765 4.395 0.370 1
1 198 . 7 1 1 A 26 26 PHE C C 26 175.800 177.772 -1.972 1
1 199 . 7 1 1 A 26 26 PHE CA C 26 61.017 60.112 0.905 1
1 200 . 7 1 1 A 26 26 PHE CB C 26 39.167 39.703 -0.536 1
1 206 . 7 1 1 A 26 26 PHE N N 26 121.428 119.873 1.555 1
1 207 . 7 1 1 A 27 27 ALA H H 27 7.825 7.865 -0.040 1
1 208 . 7 1 1 A 27 27 ALA HA H 27 4.062 4.242 -0.180 1
1 212 . 7 1 1 A 27 27 ALA C C 27 179.273 178.990 0.283 1
1 213 . 7 1 1 A 27 27 ALA CA C 27 53.975 54.158 -0.183 1
1 214 . 7 1 1 A 27 27 ALA CB C 27 18.276 18.769 -0.493 1
1 215 . 7 1 1 A 27 27 ALA N N 27 116.175 121.316 -5.141 1
1 216 . 7 1 1 A 28 28 LYS H H 28 7.618 7.836 -0.218 1
1 217 . 7 1 1 A 28 28 LYS HA H 28 4.251 4.298 -0.047 1
1 225 . 7 1 1 A 28 28 LYS C C 28 177.354 176.102 1.252 1
1 226 . 7 1 1 A 28 28 LYS CA C 28 58.122 58.398 -0.276 1
1 227 . 7 1 1 A 28 28 LYS CB C 28 33.315 32.899 0.416 1
1 231 . 7 1 1 A 28 28 LYS N N 28 118.586 114.280 4.306 1
1 232 . 7 1 1 A 29 29 THR H H 29 8.820 7.746 1.074 1
1 233 . 7 1 1 A 29 29 THR HA H 29 4.410 4.678 -0.268 1
1 238 . 7 1 1 A 29 29 THR C C 29 170.360 174.275 -3.915 1
1 239 . 7 1 1 A 29 29 THR CA C 29 59.749 60.987 -1.238 1
1 240 . 7 1 1 A 29 29 THR CB C 29 68.972 70.594 -1.622 1
1 242 . 7 1 1 A 29 29 THR N N 29 116.094 112.837 3.257 1
1 243 . 7 1 1 A 30 30 ARG H H 30 8.203 8.583 -0.380 1
1 244 . 7 1 1 A 30 30 ARG HA H 30 3.957 4.026 -0.069 1
1 251 . 7 1 1 A 30 30 ARG C C 30 175.120 175.794 -0.674 1
1 252 . 7 1 1 A 30 30 ARG CA C 30 56.750 58.590 -1.840 1
1 253 . 7 1 1 A 30 30 ARG CB C 30 30.444 30.322 0.122 1
1 256 . 7 1 1 A 30 30 ARG N N 30 122.783 127.521 -4.738 1
1 257 . 7 1 1 A 31 31 TYR H H 31 8.002 8.020 -0.018 1
1 258 . 7 1 1 A 31 31 TYR HA H 31 4.686 5.038 -0.352 1
1 265 . 7 1 1 A 31 31 TYR C C 31 172.910 172.825 0.085 1
1 266 . 7 1 1 A 31 31 TYR CA C 31 55.303 54.852 0.451 1
1 267 . 7 1 1 A 31 31 TYR CB C 31 39.057 38.485 0.572 1
1 272 . 7 1 1 A 31 31 TYR N N 31 114.710 117.207 -2.497 1
1 273 . 7 1 1 A 32 32 PRO HA H 32 4.427 4.611 -0.184 1
1 280 . 7 1 1 A 32 32 PRO C C 32 177.257 175.756 1.501 1
1 281 . 7 1 1 A 32 32 PRO CA C 32 62.838 62.548 0.290 1
1 282 . 7 1 1 A 32 32 PRO CB C 32 32.082 32.472 -0.390 1
1 285 . 7 1 1 A 33 33 ASP H H 33 7.804 8.572 -0.768 1
1 286 . 7 1 1 A 33 33 ASP HA H 33 4.509 5.018 -0.509 1
1 289 . 7 1 1 A 33 33 ASP C C 33 176.286 177.882 -1.596 1
1 290 . 7 1 1 A 33 33 ASP CA C 33 52.894 52.770 0.124 1
1 291 . 7 1 1 A 33 33 ASP CB C 33 41.475 42.662 -1.187 1
1 292 . 7 1 1 A 33 33 ASP N N 33 123.553 120.454 3.099 1
1 293 . 7 1 1 A 34 34 ILE H H 34 8.429 8.604 -0.175 1
1 294 . 7 1 1 A 34 34 ILE HA H 34 3.700 3.811 -0.111 1
1 304 . 7 1 1 A 34 34 ILE C C 34 175.412 177.596 -2.184 1
1 305 . 7 1 1 A 34 34 ILE CA C 34 63.602 64.271 -0.669 1
1 306 . 7 1 1 A 34 34 ILE CB C 34 37.846 37.630 0.216 1
1 310 . 7 1 1 A 34 34 ILE N N 34 117.269 125.762 -8.493 1
1 311 . 7 1 1 A 35 35 PHE H H 35 7.086 7.799 -0.713 1
1 312 . 7 1 1 A 35 35 PHE HA H 35 4.287 4.339 -0.052 1
1 320 . 7 1 1 A 35 35 PHE C C 35 179.589 178.119 1.470 1
1 321 . 7 1 1 A 35 35 PHE CA C 35 60.676 60.179 0.497 1
1 322 . 7 1 1 A 35 35 PHE CB C 35 37.731 38.193 -0.462 1
1 328 . 7 1 1 A 35 35 PHE N N 35 121.852 120.777 1.075 1
1 329 . 7 1 1 A 36 36 MET H H 36 8.559 8.343 0.216 1
1 330 . 7 1 1 A 36 36 MET HA H 36 4.216 4.132 0.084 1
1 338 . 7 1 1 A 36 36 MET C C 36 179.904 178.669 1.235 1
1 339 . 7 1 1 A 36 36 MET CA C 36 58.849 58.995 -0.146 1
1 340 . 7 1 1 A 36 36 MET CB C 36 33.757 32.883 0.874 1
1 343 . 7 1 1 A 36 36 MET N N 36 120.502 117.632 2.870 1
1 344 . 7 1 1 A 37 37 ARG H H 37 8.495 8.268 0.227 1
1 345 . 7 1 1 A 37 37 ARG HA H 37 3.839 3.985 -0.146 1
1 352 . 7 1 1 A 37 37 ARG C C 37 178.326 179.342 -1.016 1
1 353 . 7 1 1 A 37 37 ARG CA C 37 60.738 59.891 0.847 1
1 354 . 7 1 1 A 37 37 ARG CB C 37 31.601 30.050 1.551 1
1 357 . 7 1 1 A 37 37 ARG N N 37 117.379 118.857 -1.478 1
1 358 . 7 1 1 A 38 38 GLU H H 38 8.793 8.446 0.347 1
1 359 . 7 1 1 A 38 38 GLU HA H 38 4.028 4.068 -0.040 1
1 364 . 7 1 1 A 38 38 GLU C C 38 179.079 178.945 0.134 1
1 365 . 7 1 1 A 38 38 GLU CA C 38 59.682 59.141 0.541 1
1 366 . 7 1 1 A 38 38 GLU CB C 38 29.555 29.171 0.384 1
1 368 . 7 1 1 A 38 38 GLU N N 38 119.411 119.710 -0.299 1
1 369 . 7 1 1 A 39 39 GLU H H 39 7.909 8.000 -0.091 1
1 370 . 7 1 1 A 39 39 GLU HA H 39 4.090 4.102 -0.012 1
1 375 . 7 1 1 A 39 39 GLU C C 39 179.662 178.591 1.071 1
1 376 . 7 1 1 A 39 39 GLU CA C 39 59.776 59.338 0.438 1
1 377 . 7 1 1 A 39 39 GLU CB C 39 29.688 29.458 0.230 1
1 379 . 7 1 1 A 39 39 GLU N N 39 119.625 120.676 -1.051 1
1 380 . 7 1 1 A 40 40 VAL H H 40 7.732 8.000 -0.268 1
1 381 . 7 1 1 A 40 40 VAL HA H 40 3.836 3.603 0.233 1
1 389 . 7 1 1 A 40 40 VAL C C 40 176.674 177.994 -1.320 1
1 390 . 7 1 1 A 40 40 VAL CA C 40 65.856 66.749 -0.893 1
1 391 . 7 1 1 A 40 40 VAL CB C 40 31.416 31.523 -0.107 1
1 394 . 7 1 1 A 40 40 VAL N N 40 118.226 119.882 -1.656 1
1 395 . 7 1 1 A 41 41 ALA H H 41 8.405 8.352 0.053 1
1 396 . 7 1 1 A 41 41 ALA HA H 41 3.843 4.006 -0.163 1
1 400 . 7 1 1 A 41 41 ALA C C 41 179.856 179.669 0.187 1
1 401 . 7 1 1 A 41 41 ALA CA C 41 56.009 54.836 1.173 1
1 402 . 7 1 1 A 41 41 ALA CB C 41 17.646 18.555 -0.909 1
1 403 . 7 1 1 A 41 41 ALA N N 41 124.532 121.112 3.420 1
1 404 . 7 1 1 A 42 42 LEU H H 42 7.711 7.908 -0.197 1
1 405 . 7 1 1 A 42 42 LEU HA H 42 4.199 4.110 0.089 1
1 415 . 7 1 1 A 42 42 LEU C C 42 180.317 179.182 1.135 1
1 416 . 7 1 1 A 42 42 LEU CA C 42 57.484 56.737 0.747 1
1 417 . 7 1 1 A 42 42 LEU CB C 42 42.346 41.799 0.547 1
1 421 . 7 1 1 A 42 42 LEU N N 42 116.217 119.226 -3.009 1
1 422 . 7 1 1 A 43 43 LYS H H 43 7.615 8.275 -0.660 1
1 423 . 7 1 1 A 43 43 LYS HA H 43 4.133 4.071 0.062 1
1 432 . 7 1 1 A 43 43 LYS C C 43 178.933 179.258 -0.325 1
1 433 . 7 1 1 A 43 43 LYS CA C 43 59.269 59.139 0.130 1
1 434 . 7 1 1 A 43 43 LYS CB C 43 33.232 32.632 0.600 1
1 438 . 7 1 1 A 43 43 LYS N N 43 118.909 120.776 -1.867 1
1 439 . 7 1 1 A 44 44 ILE H H 44 8.057 8.180 -0.123 1
1 440 . 7 1 1 A 44 44 ILE HA H 44 4.638 4.060 0.578 1
1 450 . 7 1 1 A 44 44 ILE C C 44 174.853 176.584 -1.731 1
1 451 . 7 1 1 A 44 44 ILE CA C 44 60.676 62.227 -1.551 1
1 452 . 7 1 1 A 44 44 ILE CB C 44 38.258 37.904 0.354 1
1 456 . 7 1 1 A 44 44 ILE N N 44 108.541 115.202 -6.661 1
1 457 . 7 1 1 A 45 45 ASN H H 45 7.885 8.211 -0.326 1
1 458 . 7 1 1 A 45 45 ASN HA H 45 4.400 4.341 0.059 1
1 463 . 7 1 1 A 45 45 ASN C C 45 173.857 173.865 -0.008 1
1 464 . 7 1 1 A 45 45 ASN CA C 45 54.104 54.139 -0.035 1
1 465 . 7 1 1 A 45 45 ASN CB C 45 37.082 37.252 -0.170 1
1 466 . 7 1 1 A 45 45 ASN N N 45 119.396 120.429 -1.033 1
1 468 . 7 1 1 A 46 46 LEU H H 46 8.195 7.971 0.224 1
1 469 . 7 1 1 A 46 46 LEU HA H 46 4.961 4.797 0.164 1
1 479 . 7 1 1 A 46 46 LEU CA C 46 52.101 51.429 0.672 1
1 480 . 7 1 1 A 46 46 LEU CB C 46 46.563 44.937 1.626 1
1 484 . 7 1 1 A 46 46 LEU N N 46 119.142 118.783 0.359 1
1 485 . 7 1 1 A 47 47 PRO HA H 47 4.547 4.685 -0.138 1
1 492 . 7 1 1 A 47 47 PRO C C 47 178.350 178.045 0.305 1
1 493 . 7 1 1 A 47 47 PRO CA C 47 62.434 62.858 -0.424 1
1 494 . 7 1 1 A 47 47 PRO CB C 47 32.295 31.668 0.627 1
1 497 . 7 1 1 A 48 48 GLU H H 48 9.242 8.681 0.561 1
1 498 . 7 1 1 A 48 48 GLU HA H 48 3.689 3.959 -0.270 1
1 503 . 7 1 1 A 48 48 GLU C C 48 178.326 178.760 -0.434 1
1 504 . 7 1 1 A 48 48 GLU CA C 48 61.058 59.797 1.261 1
1 505 . 7 1 1 A 48 48 GLU CB C 48 28.537 29.314 -0.777 1
1 507 . 7 1 1 A 48 48 GLU N N 48 125.487 123.827 1.660 1
1 508 . 7 1 1 A 49 49 SER H H 49 8.653 7.921 0.732 1
1 509 . 7 1 1 A 49 49 SER HA H 49 4.058 4.269 -0.211 1
1 512 . 7 1 1 A 49 49 SER C C 49 177.549 177.482 0.067 1
1 513 . 7 1 1 A 49 49 SER CA C 49 61.266 61.391 -0.125 1
1 514 . 7 1 1 A 49 49 SER CB C 49 61.658 62.939 -1.281 1
1 515 . 7 1 1 A 49 49 SER N N 49 113.467 115.951 -2.484 1
1 516 . 7 1 1 A 50 50 ARG H H 50 7.489 8.361 -0.872 1
1 517 . 7 1 1 A 50 50 ARG HA H 50 4.344 4.200 0.144 1
1 524 . 7 1 1 A 50 50 ARG C C 50 179.467 178.902 0.565 1
1 525 . 7 1 1 A 50 50 ARG CA C 50 57.575 59.282 -1.707 1
1 526 . 7 1 1 A 50 50 ARG CB C 50 29.523 30.172 -0.649 1
1 529 . 7 1 1 A 50 50 ARG N N 50 120.329 122.044 -1.715 1
1 530 . 7 1 1 A 51 51 VAL H H 51 7.598 7.865 -0.267 1
1 531 . 7 1 1 A 51 51 VAL HA H 51 3.733 3.768 -0.035 1
1 539 . 7 1 1 A 51 51 VAL C C 51 177.767 178.113 -0.346 1
1 540 . 7 1 1 A 51 51 VAL CA C 51 67.082 67.014 0.068 1
1 541 . 7 1 1 A 51 51 VAL CB C 51 31.945 31.671 0.274 1
1 544 . 7 1 1 A 51 51 VAL N N 51 121.456 120.922 0.534 1
1 545 . 7 1 1 A 52 52 GLN H H 52 8.579 7.847 0.732 1
1 546 . 7 1 1 A 52 52 GLN HA H 52 4.338 4.084 0.254 1
1 553 . 7 1 1 A 52 52 GLN C C 52 178.836 178.311 0.525 1
1 554 . 7 1 1 A 52 52 GLN CA C 52 60.257 59.289 0.968 1
1 555 . 7 1 1 A 52 52 GLN CB C 52 28.377 28.524 -0.147 1
1 557 . 7 1 1 A 52 52 GLN N N 52 119.679 119.554 0.125 1
1 559 . 7 1 1 A 53 53 VAL H H 53 7.777 8.063 -0.286 1
1 560 . 7 1 1 A 53 53 VAL HA H 53 3.667 3.695 -0.028 1
1 568 . 7 1 1 A 53 53 VAL C C 53 177.379 178.182 -0.803 1
1 569 . 7 1 1 A 53 53 VAL CA C 53 67.004 66.843 0.161 1
1 570 . 7 1 1 A 53 53 VAL CB C 53 32.237 31.762 0.475 1
1 573 . 7 1 1 A 53 53 VAL N N 53 119.215 119.136 0.079 1
1 574 . 7 1 1 A 54 54 TRP H H 54 8.177 8.845 -0.668 1
1 575 . 7 1 1 A 54 54 TRP HA H 54 4.074 4.144 -0.070 1
1 584 . 7 1 1 A 54 54 TRP C C 54 179.589 177.991 1.598 1
1 585 . 7 1 1 A 54 54 TRP CA C 54 63.273 61.059 2.214 1
1 586 . 7 1 1 A 54 54 TRP CB C 54 28.458 29.684 -1.226 1
1 592 . 7 1 1 A 54 54 TRP N N 54 120.980 121.276 -0.296 1
1 594 . 7 1 1 A 55 55 PHE H H 55 8.755 8.325 0.430 1
1 595 . 7 1 1 A 55 55 PHE HA H 55 3.626 4.192 -0.566 1
1 603 . 7 1 1 A 55 55 PHE C C 55 177.937 178.254 -0.317 1
1 604 . 7 1 1 A 55 55 PHE CA C 55 64.064 61.217 2.847 1
1 605 . 7 1 1 A 55 55 PHE CB C 55 39.579 39.123 0.456 1
1 611 . 7 1 1 A 55 55 PHE N N 55 118.177 118.171 0.006 1
1 612 . 7 1 1 A 56 56 LYS H H 56 8.169 8.085 0.084 1
1 613 . 7 1 1 A 56 56 LYS HA H 56 3.914 3.841 0.073 1
1 620 . 7 1 1 A 56 56 LYS C C 56 179.929 179.220 0.709 1
1 621 . 7 1 1 A 56 56 LYS CA C 56 60.488 59.841 0.647 1
1 622 . 7 1 1 A 56 56 LYS CB C 56 32.243 32.316 -0.073 1
1 626 . 7 1 1 A 56 56 LYS N N 56 119.649 118.084 1.565 1
1 627 . 7 1 1 A 57 57 ASN H H 57 8.238 8.411 -0.173 1
1 628 . 7 1 1 A 57 57 ASN HA H 57 4.345 4.340 0.005 1
1 633 . 7 1 1 A 57 57 ASN C C 57 177.379 177.595 -0.216 1
1 634 . 7 1 1 A 57 57 ASN CA C 57 55.515 56.328 -0.813 1
1 635 . 7 1 1 A 57 57 ASN CB C 57 37.887 38.204 -0.317 1
1 636 . 7 1 1 A 57 57 ASN N N 57 118.635 118.185 0.450 1
1 638 . 7 1 1 A 58 58 ARG H H 58 8.347 7.743 0.604 1
1 639 . 7 1 1 A 58 58 ARG HA H 58 3.419 3.491 -0.072 1
1 646 . 7 1 1 A 58 58 ARG C C 58 179.637 178.084 1.553 1
1 647 . 7 1 1 A 58 58 ARG CA C 58 56.820 58.927 -2.107 1
1 648 . 7 1 1 A 58 58 ARG CB C 58 28.359 29.181 -0.822 1
1 651 . 7 1 1 A 58 58 ARG N N 58 123.884 120.149 3.735 1
1 652 . 7 1 1 A 59 59 ARG H H 59 8.184 8.134 0.050 1
1 653 . 7 1 1 A 59 59 ARG HA H 59 4.124 3.973 0.151 1
1 659 . 7 1 1 A 59 59 ARG C C 59 178.836 178.595 0.241 1
1 660 . 7 1 1 A 59 59 ARG CA C 59 60.478 59.582 0.896 1
1 661 . 7 1 1 A 59 59 ARG CB C 59 31.667 30.168 1.499 1
1 664 . 7 1 1 A 59 59 ARG N N 59 117.828 117.839 -0.011 1
1 665 . 7 1 1 A 60 60 ALA H H 60 7.407 7.705 -0.298 1
1 666 . 7 1 1 A 60 60 ALA HA H 60 4.183 4.081 0.102 1
1 670 . 7 1 1 A 60 60 ALA C C 60 179.370 179.095 0.275 1
1 671 . 7 1 1 A 60 60 ALA CA C 60 54.509 55.042 -0.533 1
1 672 . 7 1 1 A 60 60 ALA CB C 60 18.207 18.552 -0.345 1
1 673 . 7 1 1 A 60 60 ALA N N 60 121.238 121.536 -0.298 1
1 674 . 7 1 1 A 61 61 LYS H H 61 7.564 8.143 -0.579 1
1 675 . 7 1 1 A 61 61 LYS HA H 61 4.143 3.871 0.272 1
1 684 . 7 1 1 A 61 61 LYS C C 61 177.767 178.536 -0.769 1
1 685 . 7 1 1 A 61 61 LYS CA C 61 57.671 59.675 -2.004 1
1 686 . 7 1 1 A 61 61 LYS CB C 61 32.490 32.245 0.245 1
1 690 . 7 1 1 A 61 61 LYS N N 61 118.322 117.766 0.556 1
1 691 . 7 1 1 A 62 62 CYS H H 62 7.725 7.896 -0.171 1
1 692 . 7 1 1 A 62 62 CYS HA H 62 4.401 4.060 0.341 1
1 695 . 7 1 1 A 62 62 CYS C C 62 175.752 177.619 -1.867 1
1 696 . 7 1 1 A 62 62 CYS CA C 62 60.540 62.918 -2.378 1
1 697 . 7 1 1 A 62 62 CYS CB C 62 27.654 26.967 0.687 1
1 698 . 7 1 1 A 62 62 CYS N N 62 117.981 117.754 0.227 1
1 699 . 7 1 1 A 63 63 ARG H H 63 8.044 8.005 0.039 1
1 700 . 7 1 1 A 63 63 ARG HA H 63 4.273 4.023 0.250 1
1 705 . 7 1 1 A 63 63 ARG C C 63 177.233 178.770 -1.537 1
1 706 . 7 1 1 A 63 63 ARG CA C 63 57.631 59.827 -2.196 1
1 707 . 7 1 1 A 63 63 ARG CB C 63 30.347 29.859 0.488 1
1 710 . 7 1 1 A 63 63 ARG N N 63 121.313 120.033 1.280 1
1 711 . 7 1 1 A 64 64 GLN H H 64 8.217 7.938 0.279 1
1 712 . 7 1 1 A 64 64 GLN HA H 64 4.262 4.030 0.232 1
1 718 . 7 1 1 A 64 64 GLN C C 64 176.942 176.542 0.400 1
1 719 . 7 1 1 A 64 64 GLN CA C 64 57.172 58.983 -1.811 1
1 720 . 7 1 1 A 64 64 GLN CB C 64 29.129 28.646 0.483 1
1 722 . 7 1 1 A 64 64 GLN N N 64 120.369 118.903 1.466 1
1 724 . 7 1 1 A 71 71 ASN CB C 71 37.967 39.696 -1.729 1
1 726 . 7 1 1 A 72 72 GLY HA2 H 72 3.984 4.159 -0.175 1
1 727 . 7 1 1 A 72 72 GLY HA3 H 72 3.984 4.159 -0.175 1
1 728 . 7 1 1 A 72 72 GLY C C 72 174.877 173.297 1.580 1
1 729 . 7 1 1 A 72 72 GLY CA C 72 45.604 44.580 1.024 1
1 730 . 7 1 1 A 73 73 GLY H H 73 8.288 8.433 -0.145 1
1 731 . 7 1 1 A 73 73 GLY HA2 H 73 3.986 4.305 -0.319 1
1 732 . 7 1 1 A 73 73 GLY HA3 H 73 3.986 4.305 -0.319 1
1 733 . 7 1 1 A 73 73 GLY C C 73 174.319 171.681 2.638 1
1 734 . 7 1 1 A 73 73 GLY CA C 73 45.322 45.842 -0.520 1
1 735 . 7 1 1 A 73 73 GLY N N 73 108.597 109.295 -0.698 1
1 736 . 7 1 1 A 74 74 GLN H H 74 8.281 8.916 -0.635 1
1 737 . 7 1 1 A 74 74 GLN HA H 74 4.413 5.149 -0.736 1
1 743 . 7 1 1 A 74 74 GLN C C 74 176.262 173.322 2.940 1
1 744 . 7 1 1 A 74 74 GLN CA C 74 55.973 54.728 1.245 1
1 745 . 7 1 1 A 74 74 GLN CB C 74 29.605 32.305 -2.700 1
1 747 . 7 1 1 A 74 74 GLN N N 74 119.866 118.090 1.776 1
1 749 . 7 1 1 A 75 75 SER H H 75 8.432 8.511 -0.079 1
1 750 . 7 1 1 A 75 75 SER HA H 75 4.524 5.247 -0.723 1
1 753 . 7 1 1 A 75 75 SER C C 75 174.586 173.271 1.315 1
1 754 . 7 1 1 A 75 75 SER CA C 75 58.513 57.446 1.067 1
1 755 . 7 1 1 A 75 75 SER CB C 75 64.061 67.148 -3.087 1
1 756 . 7 1 1 A 75 75 SER N N 75 117.073 115.309 1.764 1
1 757 . 7 1 1 A 76 76 GLY H H 76 8.244 8.277 -0.033 1
1 758 . 7 1 1 A 76 76 GLY HA2 H 76 4.171 4.256 -0.085 1
1 759 . 7 1 1 A 76 76 GLY HA3 H 76 4.102 4.257 -0.155 1
1 760 . 7 1 1 A 76 76 GLY C C 76 171.842 172.026 -0.184 1
1 761 . 7 1 1 A 76 76 GLY CA C 76 44.617 45.472 -0.855 1
1 762 . 7 1 1 A 76 76 GLY N N 76 110.727 109.197 1.530 1
1 763 . 7 1 1 A 77 77 PRO HA H 77 4.494 4.651 -0.157 1
1 770 . 7 1 1 A 77 77 PRO C C 77 177.476 176.050 1.426 1
1 771 . 7 1 1 A 77 77 PRO CA C 77 63.380 62.498 0.882 1
1 772 . 7 1 1 A 77 77 PRO CB C 77 32.231 33.122 -0.891 1
1 775 . 7 1 1 A 78 78 SER H H 78 8.526 8.506 0.020 1
1 776 . 7 1 1 A 78 78 SER HA H 78 4.514 5.129 -0.615 1
1 779 . 7 1 1 A 78 78 SER C C 78 174.756 173.544 1.212 1
1 780 . 7 1 1 A 78 78 SER CA C 78 58.513 56.702 1.811 1
1 781 . 7 1 1 A 78 78 SER CB C 78 63.896 66.129 -2.233 1
1 782 . 7 1 1 A 78 78 SER N N 78 116.438 113.137 3.301 1
1 783 . 7 1 1 A 79 79 SER H H 79 8.329 8.317 0.012 1
1 784 . 7 1 1 A 79 79 SER HA H 79 4.502 4.919 -0.417 1
1 787 . 7 1 1 A 79 79 SER C C 79 173.954 173.202 0.752 1
1 788 . 7 1 1 A 79 79 SER CA C 79 58.477 56.928 1.549 1
1 789 . 7 1 1 A 79 79 SER CB C 79 64.019 66.294 -2.275 1
1 790 . 7 1 1 A 79 79 SER N N 79 117.859 113.401 4.458 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.978 4.054 -0.076 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.978 4.059 -0.081 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.149 171.362 2.787 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.393 45.493 -0.100 1
1 5 . 8 1 1 A 8 8 ARG H H 8 8.135 8.790 -0.655 1
1 6 . 8 1 1 A 8 8 ARG C C 8 176.480 175.940 0.540 1
1 7 . 8 1 1 A 8 8 ARG CA C 8 56.589 54.917 1.672 1
1 8 . 8 1 1 A 8 8 ARG CB C 8 30.686 33.432 -2.746 1
1 11 . 8 1 1 A 8 8 ARG N N 8 120.720 119.935 0.785 1
1 12 . 8 1 1 A 9 9 ARG H H 9 8.471 8.655 -0.184 1
1 13 . 8 1 1 A 9 9 ARG HA H 9 4.288 4.008 0.280 1
1 14 . 8 1 1 A 9 9 ARG C C 9 176.504 175.345 1.159 1
1 15 . 8 1 1 A 9 9 ARG CA C 9 56.432 56.973 -0.541 1
1 16 . 8 1 1 A 9 9 ARG CB C 9 30.466 28.125 2.341 1
1 17 . 8 1 1 A 9 9 ARG N N 9 122.487 124.226 -1.739 1
1 18 . 8 1 1 A 13 13 THR HA H 13 4.365 3.850 0.515 1
1 23 . 8 1 1 A 13 13 THR C C 13 173.954 175.104 -1.150 1
1 24 . 8 1 1 A 13 13 THR CA C 13 61.440 66.488 -5.048 1
1 25 . 8 1 1 A 13 13 THR CB C 13 70.210 68.492 1.718 1
1 27 . 8 1 1 A 14 14 PHE H H 14 8.297 8.143 0.154 1
1 28 . 8 1 1 A 14 14 PHE HA H 14 4.941 4.878 0.063 1
1 36 . 8 1 1 A 14 14 PHE C C 14 176.650 175.391 1.259 1
1 37 . 8 1 1 A 14 14 PHE CA C 14 57.077 57.251 -0.174 1
1 38 . 8 1 1 A 14 14 PHE CB C 14 41.503 38.394 3.109 1
1 44 . 8 1 1 A 14 14 PHE N N 14 121.677 118.102 3.575 1
1 45 . 8 1 1 A 15 15 THR H H 15 9.009 8.717 0.292 1
1 46 . 8 1 1 A 15 15 THR HA H 15 4.493 4.775 -0.282 1
1 51 . 8 1 1 A 15 15 THR C C 15 175.314 176.246 -0.932 1
1 52 . 8 1 1 A 15 15 THR CA C 15 60.359 60.632 -0.273 1
1 53 . 8 1 1 A 15 15 THR CB C 15 70.902 71.196 -0.294 1
1 55 . 8 1 1 A 15 15 THR N N 15 113.381 116.011 -2.630 1
1 56 . 8 1 1 A 16 16 ARG H H 16 8.882 9.051 -0.169 1
1 57 . 8 1 1 A 16 16 ARG HA H 16 3.986 3.944 0.042 1
1 64 . 8 1 1 A 16 16 ARG C C 16 177.670 178.515 -0.845 1
1 65 . 8 1 1 A 16 16 ARG CA C 16 59.042 60.146 -1.104 1
1 66 . 8 1 1 A 16 16 ARG CB C 16 30.100 30.028 0.072 1
1 69 . 8 1 1 A 16 16 ARG N N 16 122.206 121.755 0.451 1
1 70 . 8 1 1 A 17 17 ALA H H 17 8.251 8.208 0.043 1
1 71 . 8 1 1 A 17 17 ALA HA H 17 4.159 4.077 0.082 1
1 75 . 8 1 1 A 17 17 ALA C C 17 181.386 179.894 1.492 1
1 76 . 8 1 1 A 17 17 ALA CA C 17 54.986 55.215 -0.229 1
1 77 . 8 1 1 A 17 17 ALA CB C 17 18.333 18.201 0.132 1
1 78 . 8 1 1 A 17 17 ALA N N 17 119.149 121.613 -2.464 1
1 79 . 8 1 1 A 18 18 GLN H H 18 7.533 7.761 -0.228 1
1 80 . 8 1 1 A 18 18 GLN HA H 18 3.858 4.013 -0.155 1
1 87 . 8 1 1 A 18 18 GLN C C 18 177.986 178.919 -0.933 1
1 88 . 8 1 1 A 18 18 GLN CA C 18 58.790 58.785 0.005 1
1 89 . 8 1 1 A 18 18 GLN CB C 18 28.603 28.566 0.037 1
1 91 . 8 1 1 A 18 18 GLN N N 18 116.295 117.621 -1.326 1
1 93 . 8 1 1 A 19 19 LEU H H 19 8.417 8.235 0.182 1
1 94 . 8 1 1 A 19 19 LEU HA H 19 3.547 3.790 -0.243 1
1 104 . 8 1 1 A 19 19 LEU C C 19 178.617 178.250 0.367 1
1 105 . 8 1 1 A 19 19 LEU CA C 19 57.745 57.910 -0.165 1
1 106 . 8 1 1 A 19 19 LEU CB C 19 41.584 41.623 -0.039 1
1 110 . 8 1 1 A 19 19 LEU N N 19 118.955 120.506 -1.551 1
1 111 . 8 1 1 A 20 20 ASP H H 20 8.537 8.427 0.110 1
1 112 . 8 1 1 A 20 20 ASP HA H 20 4.291 4.267 0.024 1
1 115 . 8 1 1 A 20 20 ASP C C 20 179.783 178.571 1.212 1
1 116 . 8 1 1 A 20 20 ASP CA C 20 57.666 57.400 0.266 1
1 117 . 8 1 1 A 20 20 ASP CB C 20 39.965 40.954 -0.989 1
1 118 . 8 1 1 A 20 20 ASP N N 20 118.356 118.443 -0.087 1
1 119 . 8 1 1 A 21 21 VAL H H 21 7.006 7.615 -0.609 1
1 120 . 8 1 1 A 21 21 VAL HA H 21 3.667 3.504 0.163 1
1 128 . 8 1 1 A 21 21 VAL C C 21 178.836 177.851 0.985 1
1 129 . 8 1 1 A 21 21 VAL CA C 21 66.062 66.566 -0.504 1
1 130 . 8 1 1 A 21 21 VAL CB C 21 32.006 31.586 0.420 1
1 133 . 8 1 1 A 21 21 VAL N N 21 120.507 118.819 1.688 1
1 134 . 8 1 1 A 22 22 LEU H H 22 7.638 7.767 -0.129 1
1 135 . 8 1 1 A 22 22 LEU HA H 22 3.557 3.604 -0.047 1
1 145 . 8 1 1 A 22 22 LEU C C 22 178.277 178.908 -0.631 1
1 146 . 8 1 1 A 22 22 LEU CA C 22 58.595 57.769 0.826 1
1 147 . 8 1 1 A 22 22 LEU CB C 22 38.402 40.135 -1.733 1
1 151 . 8 1 1 A 22 22 LEU N N 22 122.874 119.183 3.691 1
1 152 . 8 1 1 A 23 23 GLU H H 23 8.880 8.312 0.568 1
1 153 . 8 1 1 A 23 23 GLU HA H 23 4.162 4.191 -0.029 1
1 157 . 8 1 1 A 23 23 GLU C C 23 180.123 178.980 1.143 1
1 158 . 8 1 1 A 23 23 GLU CA C 23 59.182 59.127 0.055 1
1 159 . 8 1 1 A 23 23 GLU CB C 23 29.111 29.882 -0.771 1
1 161 . 8 1 1 A 23 23 GLU N N 23 117.314 117.680 -0.366 1
1 162 . 8 1 1 A 24 24 ALA H H 24 7.614 7.905 -0.291 1
1 163 . 8 1 1 A 24 24 ALA HA H 24 4.273 4.086 0.187 1
1 167 . 8 1 1 A 24 24 ALA C C 24 180.560 179.614 0.946 1
1 168 . 8 1 1 A 24 24 ALA CA C 24 55.023 55.077 -0.054 1
1 169 . 8 1 1 A 24 24 ALA CB C 24 17.775 18.669 -0.894 1
1 170 . 8 1 1 A 24 24 ALA N N 24 122.032 122.321 -0.289 1
1 171 . 8 1 1 A 25 25 LEU H H 25 7.673 7.777 -0.104 1
1 172 . 8 1 1 A 25 25 LEU HA H 25 4.507 4.188 0.319 1
1 182 . 8 1 1 A 25 25 LEU C C 25 177.694 178.409 -0.715 1
1 183 . 8 1 1 A 25 25 LEU CA C 25 57.913 57.372 0.541 1
1 184 . 8 1 1 A 25 25 LEU CB C 25 40.753 41.697 -0.944 1
1 188 . 8 1 1 A 25 25 LEU N N 25 120.067 119.640 0.427 1
1 189 . 8 1 1 A 26 26 PHE H H 26 8.839 8.438 0.401 1
1 190 . 8 1 1 A 26 26 PHE HA H 26 4.765 4.289 0.476 1
1 198 . 8 1 1 A 26 26 PHE C C 26 175.800 177.716 -1.916 1
1 199 . 8 1 1 A 26 26 PHE CA C 26 61.017 60.044 0.973 1
1 200 . 8 1 1 A 26 26 PHE CB C 26 39.167 39.673 -0.506 1
1 206 . 8 1 1 A 26 26 PHE N N 26 121.428 120.044 1.384 1
1 207 . 8 1 1 A 27 27 ALA H H 27 7.825 7.939 -0.114 1
1 208 . 8 1 1 A 27 27 ALA HA H 27 4.062 4.390 -0.328 1
1 212 . 8 1 1 A 27 27 ALA C C 27 179.273 179.014 0.259 1
1 213 . 8 1 1 A 27 27 ALA CA C 27 53.975 54.231 -0.256 1
1 214 . 8 1 1 A 27 27 ALA CB C 27 18.276 18.911 -0.635 1
1 215 . 8 1 1 A 27 27 ALA N N 27 116.175 121.582 -5.407 1
1 216 . 8 1 1 A 28 28 LYS H H 28 7.618 7.363 0.255 1
1 217 . 8 1 1 A 28 28 LYS HA H 28 4.251 4.345 -0.094 1
1 225 . 8 1 1 A 28 28 LYS C C 28 177.354 176.043 1.311 1
1 226 . 8 1 1 A 28 28 LYS CA C 28 58.122 58.333 -0.211 1
1 227 . 8 1 1 A 28 28 LYS CB C 28 33.315 33.083 0.232 1
1 231 . 8 1 1 A 28 28 LYS N N 28 118.586 113.775 4.811 1
1 232 . 8 1 1 A 29 29 THR H H 29 8.820 7.846 0.974 1
1 233 . 8 1 1 A 29 29 THR HA H 29 4.410 4.628 -0.218 1
1 238 . 8 1 1 A 29 29 THR C C 29 170.360 173.978 -3.618 1
1 239 . 8 1 1 A 29 29 THR CA C 29 59.749 60.807 -1.058 1
1 240 . 8 1 1 A 29 29 THR CB C 29 68.972 71.214 -2.242 1
1 242 . 8 1 1 A 29 29 THR N N 29 116.094 112.936 3.158 1
1 243 . 8 1 1 A 30 30 ARG H H 30 8.203 8.329 -0.126 1
1 244 . 8 1 1 A 30 30 ARG HA H 30 3.957 3.650 0.307 1
1 251 . 8 1 1 A 30 30 ARG C C 30 175.120 175.432 -0.312 1
1 252 . 8 1 1 A 30 30 ARG CA C 30 56.750 58.059 -1.309 1
1 253 . 8 1 1 A 30 30 ARG CB C 30 30.444 29.971 0.473 1
1 256 . 8 1 1 A 30 30 ARG N N 30 122.783 127.059 -4.276 1
1 257 . 8 1 1 A 31 31 TYR H H 31 8.002 7.711 0.291 1
1 258 . 8 1 1 A 31 31 TYR HA H 31 4.686 4.987 -0.301 1
1 265 . 8 1 1 A 31 31 TYR C C 31 172.910 172.679 0.231 1
1 266 . 8 1 1 A 31 31 TYR CA C 31 55.303 54.706 0.597 1
1 267 . 8 1 1 A 31 31 TYR CB C 31 39.057 38.434 0.623 1
1 272 . 8 1 1 A 31 31 TYR N N 31 114.710 117.372 -2.662 1
1 273 . 8 1 1 A 32 32 PRO HA H 32 4.427 4.607 -0.180 1
1 280 . 8 1 1 A 32 32 PRO C C 32 177.257 175.721 1.536 1
1 281 . 8 1 1 A 32 32 PRO CA C 32 62.838 62.578 0.260 1
1 282 . 8 1 1 A 32 32 PRO CB C 32 32.082 32.505 -0.423 1
1 285 . 8 1 1 A 33 33 ASP H H 33 7.804 8.595 -0.791 1
1 286 . 8 1 1 A 33 33 ASP HA H 33 4.509 4.997 -0.488 1
1 289 . 8 1 1 A 33 33 ASP C C 33 176.286 177.859 -1.573 1
1 290 . 8 1 1 A 33 33 ASP CA C 33 52.894 52.812 0.082 1
1 291 . 8 1 1 A 33 33 ASP CB C 33 41.475 42.841 -1.366 1
1 292 . 8 1 1 A 33 33 ASP N N 33 123.553 120.389 3.164 1
1 293 . 8 1 1 A 34 34 ILE H H 34 8.429 8.564 -0.135 1
1 294 . 8 1 1 A 34 34 ILE HA H 34 3.700 3.788 -0.088 1
1 304 . 8 1 1 A 34 34 ILE C C 34 175.412 177.654 -2.242 1
1 305 . 8 1 1 A 34 34 ILE CA C 34 63.602 64.268 -0.666 1
1 306 . 8 1 1 A 34 34 ILE CB C 34 37.846 37.620 0.226 1
1 310 . 8 1 1 A 34 34 ILE N N 34 117.269 125.719 -8.450 1
1 311 . 8 1 1 A 35 35 PHE H H 35 7.086 7.708 -0.622 1
1 312 . 8 1 1 A 35 35 PHE HA H 35 4.287 4.325 -0.038 1
1 320 . 8 1 1 A 35 35 PHE C C 35 179.589 178.292 1.297 1
1 321 . 8 1 1 A 35 35 PHE CA C 35 60.676 60.426 0.250 1
1 322 . 8 1 1 A 35 35 PHE CB C 35 37.731 38.364 -0.633 1
1 328 . 8 1 1 A 35 35 PHE N N 35 121.852 120.875 0.977 1
1 329 . 8 1 1 A 36 36 MET H H 36 8.559 8.340 0.219 1
1 330 . 8 1 1 A 36 36 MET HA H 36 4.216 4.109 0.107 1
1 338 . 8 1 1 A 36 36 MET C C 36 179.904 178.757 1.147 1
1 339 . 8 1 1 A 36 36 MET CA C 36 58.849 59.066 -0.217 1
1 340 . 8 1 1 A 36 36 MET CB C 36 33.757 32.738 1.019 1
1 343 . 8 1 1 A 36 36 MET N N 36 120.502 117.618 2.884 1
1 344 . 8 1 1 A 37 37 ARG H H 37 8.495 8.212 0.283 1
1 345 . 8 1 1 A 37 37 ARG HA H 37 3.839 4.068 -0.229 1
1 352 . 8 1 1 A 37 37 ARG C C 37 178.326 179.275 -0.949 1
1 353 . 8 1 1 A 37 37 ARG CA C 37 60.738 59.635 1.103 1
1 354 . 8 1 1 A 37 37 ARG CB C 37 31.601 29.924 1.677 1
1 357 . 8 1 1 A 37 37 ARG N N 37 117.379 118.896 -1.517 1
1 358 . 8 1 1 A 38 38 GLU H H 38 8.793 8.500 0.293 1
1 359 . 8 1 1 A 38 38 GLU HA H 38 4.028 4.098 -0.070 1
1 364 . 8 1 1 A 38 38 GLU C C 38 179.079 179.069 0.010 1
1 365 . 8 1 1 A 38 38 GLU CA C 38 59.682 59.234 0.448 1
1 366 . 8 1 1 A 38 38 GLU CB C 38 29.555 29.282 0.273 1
1 368 . 8 1 1 A 38 38 GLU N N 38 119.411 119.792 -0.381 1
1 369 . 8 1 1 A 39 39 GLU H H 39 7.909 8.094 -0.185 1
1 370 . 8 1 1 A 39 39 GLU HA H 39 4.090 4.092 -0.002 1
1 375 . 8 1 1 A 39 39 GLU C C 39 179.662 178.678 0.984 1
1 376 . 8 1 1 A 39 39 GLU CA C 39 59.776 59.136 0.640 1
1 377 . 8 1 1 A 39 39 GLU CB C 39 29.688 29.434 0.254 1
1 379 . 8 1 1 A 39 39 GLU N N 39 119.625 120.816 -1.191 1
1 380 . 8 1 1 A 40 40 VAL H H 40 7.732 8.024 -0.292 1
1 381 . 8 1 1 A 40 40 VAL HA H 40 3.836 3.603 0.233 1
1 389 . 8 1 1 A 40 40 VAL C C 40 176.674 178.042 -1.368 1
1 390 . 8 1 1 A 40 40 VAL CA C 40 65.856 66.791 -0.935 1
1 391 . 8 1 1 A 40 40 VAL CB C 40 31.416 31.525 -0.109 1
1 394 . 8 1 1 A 40 40 VAL N N 40 118.226 119.994 -1.768 1
1 395 . 8 1 1 A 41 41 ALA H H 41 8.405 8.285 0.120 1
1 396 . 8 1 1 A 41 41 ALA HA H 41 3.843 4.039 -0.196 1
1 400 . 8 1 1 A 41 41 ALA C C 41 179.856 179.339 0.517 1
1 401 . 8 1 1 A 41 41 ALA CA C 41 56.009 54.718 1.291 1
1 402 . 8 1 1 A 41 41 ALA CB C 41 17.646 18.500 -0.854 1
1 403 . 8 1 1 A 41 41 ALA N N 41 124.532 121.107 3.425 1
1 404 . 8 1 1 A 42 42 LEU H H 42 7.711 7.625 0.086 1
1 405 . 8 1 1 A 42 42 LEU HA H 42 4.199 4.194 0.005 1
1 415 . 8 1 1 A 42 42 LEU C C 42 180.317 179.120 1.197 1
1 416 . 8 1 1 A 42 42 LEU CA C 42 57.484 56.538 0.946 1
1 417 . 8 1 1 A 42 42 LEU CB C 42 42.346 42.087 0.259 1
1 421 . 8 1 1 A 42 42 LEU N N 42 116.217 118.256 -2.039 1
1 422 . 8 1 1 A 43 43 LYS H H 43 7.615 8.376 -0.761 1
1 423 . 8 1 1 A 43 43 LYS HA H 43 4.133 4.060 0.073 1
1 432 . 8 1 1 A 43 43 LYS C C 43 178.933 179.262 -0.329 1
1 433 . 8 1 1 A 43 43 LYS CA C 43 59.269 59.141 0.128 1
1 434 . 8 1 1 A 43 43 LYS CB C 43 33.232 32.512 0.720 1
1 438 . 8 1 1 A 43 43 LYS N N 43 118.909 120.819 -1.910 1
1 439 . 8 1 1 A 44 44 ILE H H 44 8.057 8.071 -0.014 1
1 440 . 8 1 1 A 44 44 ILE HA H 44 4.638 4.070 0.568 1
1 450 . 8 1 1 A 44 44 ILE C C 44 174.853 176.608 -1.755 1
1 451 . 8 1 1 A 44 44 ILE CA C 44 60.676 61.973 -1.297 1
1 452 . 8 1 1 A 44 44 ILE CB C 44 38.258 37.772 0.486 1
1 456 . 8 1 1 A 44 44 ILE N N 44 108.541 115.058 -6.517 1
1 457 . 8 1 1 A 45 45 ASN H H 45 7.885 8.209 -0.324 1
1 458 . 8 1 1 A 45 45 ASN HA H 45 4.400 4.342 0.058 1
1 463 . 8 1 1 A 45 45 ASN C C 45 173.857 173.854 0.003 1
1 464 . 8 1 1 A 45 45 ASN CA C 45 54.104 54.097 0.007 1
1 465 . 8 1 1 A 45 45 ASN CB C 45 37.082 37.235 -0.153 1
1 466 . 8 1 1 A 45 45 ASN N N 45 119.396 120.401 -1.005 1
1 468 . 8 1 1 A 46 46 LEU H H 46 8.195 7.825 0.370 1
1 469 . 8 1 1 A 46 46 LEU HA H 46 4.961 4.790 0.171 1
1 479 . 8 1 1 A 46 46 LEU CA C 46 52.101 51.417 0.684 1
1 480 . 8 1 1 A 46 46 LEU CB C 46 46.563 45.068 1.495 1
1 484 . 8 1 1 A 46 46 LEU N N 46 119.142 118.610 0.532 1
1 485 . 8 1 1 A 47 47 PRO HA H 47 4.547 4.684 -0.137 1
1 492 . 8 1 1 A 47 47 PRO C C 47 178.350 177.843 0.507 1
1 493 . 8 1 1 A 47 47 PRO CA C 47 62.434 62.916 -0.482 1
1 494 . 8 1 1 A 47 47 PRO CB C 47 32.295 31.676 0.619 1
1 497 . 8 1 1 A 48 48 GLU H H 48 9.242 9.074 0.168 1
1 498 . 8 1 1 A 48 48 GLU HA H 48 3.689 4.029 -0.340 1
1 503 . 8 1 1 A 48 48 GLU C C 48 178.326 178.337 -0.011 1
1 504 . 8 1 1 A 48 48 GLU CA C 48 61.058 59.668 1.390 1
1 505 . 8 1 1 A 48 48 GLU CB C 48 28.537 29.735 -1.198 1
1 507 . 8 1 1 A 48 48 GLU N N 48 125.487 125.292 0.195 1
1 508 . 8 1 1 A 49 49 SER H H 49 8.653 8.137 0.516 1
1 509 . 8 1 1 A 49 49 SER HA H 49 4.058 4.171 -0.113 1
1 512 . 8 1 1 A 49 49 SER C C 49 177.549 177.009 0.540 1
1 513 . 8 1 1 A 49 49 SER CA C 49 61.266 61.799 -0.533 1
1 514 . 8 1 1 A 49 49 SER CB C 49 61.658 62.854 -1.196 1
1 515 . 8 1 1 A 49 49 SER N N 49 113.467 117.655 -4.188 1
1 516 . 8 1 1 A 50 50 ARG H H 50 7.489 8.097 -0.608 1
1 517 . 8 1 1 A 50 50 ARG HA H 50 4.344 4.343 0.001 1
1 524 . 8 1 1 A 50 50 ARG C C 50 179.467 179.130 0.337 1
1 525 . 8 1 1 A 50 50 ARG CA C 50 57.575 59.214 -1.639 1
1 526 . 8 1 1 A 50 50 ARG CB C 50 29.523 30.273 -0.750 1
1 529 . 8 1 1 A 50 50 ARG N N 50 120.329 121.948 -1.619 1
1 530 . 8 1 1 A 51 51 VAL H H 51 7.598 7.629 -0.031 1
1 531 . 8 1 1 A 51 51 VAL HA H 51 3.733 3.733 0.000 1
1 539 . 8 1 1 A 51 51 VAL C C 51 177.767 178.303 -0.536 1
1 540 . 8 1 1 A 51 51 VAL CA C 51 67.082 66.655 0.427 1
1 541 . 8 1 1 A 51 51 VAL CB C 51 31.945 31.834 0.111 1
1 544 . 8 1 1 A 51 51 VAL N N 51 121.456 120.418 1.038 1
1 545 . 8 1 1 A 52 52 GLN H H 52 8.579 8.574 0.005 1
1 546 . 8 1 1 A 52 52 GLN HA H 52 4.338 4.032 0.306 1
1 553 . 8 1 1 A 52 52 GLN C C 52 178.836 178.515 0.321 1
1 554 . 8 1 1 A 52 52 GLN CA C 52 60.257 59.172 1.085 1
1 555 . 8 1 1 A 52 52 GLN CB C 52 28.377 28.314 0.063 1
1 557 . 8 1 1 A 52 52 GLN N N 52 119.679 119.689 -0.010 1
1 559 . 8 1 1 A 53 53 VAL H H 53 7.777 7.702 0.075 1
1 560 . 8 1 1 A 53 53 VAL HA H 53 3.667 3.773 -0.106 1
1 568 . 8 1 1 A 53 53 VAL C C 53 177.379 178.265 -0.886 1
1 569 . 8 1 1 A 53 53 VAL CA C 53 67.004 66.213 0.791 1
1 570 . 8 1 1 A 53 53 VAL CB C 53 32.237 31.767 0.470 1
1 573 . 8 1 1 A 53 53 VAL N N 53 119.215 119.519 -0.304 1
1 574 . 8 1 1 A 54 54 TRP H H 54 8.177 8.683 -0.506 1
1 575 . 8 1 1 A 54 54 TRP HA H 54 4.074 4.186 -0.112 1
1 584 . 8 1 1 A 54 54 TRP C C 54 179.589 178.118 1.471 1
1 585 . 8 1 1 A 54 54 TRP CA C 54 63.273 60.627 2.646 1
1 586 . 8 1 1 A 54 54 TRP CB C 54 28.458 29.842 -1.384 1
1 592 . 8 1 1 A 54 54 TRP N N 54 120.980 121.209 -0.229 1
1 594 . 8 1 1 A 55 55 PHE H H 55 8.755 7.915 0.840 1
1 595 . 8 1 1 A 55 55 PHE HA H 55 3.626 4.474 -0.848 1
1 603 . 8 1 1 A 55 55 PHE C C 55 177.937 178.759 -0.822 1
1 604 . 8 1 1 A 55 55 PHE CA C 55 64.064 61.068 2.996 1
1 605 . 8 1 1 A 55 55 PHE CB C 55 39.579 39.394 0.185 1
1 611 . 8 1 1 A 55 55 PHE N N 55 118.177 117.456 0.721 1
1 612 . 8 1 1 A 56 56 LYS H H 56 8.169 7.838 0.331 1
1 613 . 8 1 1 A 56 56 LYS HA H 56 3.914 4.179 -0.265 1
1 620 . 8 1 1 A 56 56 LYS C C 56 179.929 178.207 1.722 1
1 621 . 8 1 1 A 56 56 LYS CA C 56 60.488 58.862 1.626 1
1 622 . 8 1 1 A 56 56 LYS CB C 56 32.243 31.804 0.439 1
1 626 . 8 1 1 A 56 56 LYS N N 56 119.649 118.484 1.165 1
1 627 . 8 1 1 A 57 57 ASN H H 57 8.238 7.877 0.361 1
1 628 . 8 1 1 A 57 57 ASN HA H 57 4.345 4.474 -0.129 1
1 633 . 8 1 1 A 57 57 ASN C C 57 177.379 177.736 -0.357 1
1 634 . 8 1 1 A 57 57 ASN CA C 57 55.515 55.624 -0.109 1
1 635 . 8 1 1 A 57 57 ASN CB C 57 37.887 38.199 -0.312 1
1 636 . 8 1 1 A 57 57 ASN N N 57 118.635 117.948 0.687 1
1 638 . 8 1 1 A 58 58 ARG H H 58 8.347 7.621 0.726 1
1 639 . 8 1 1 A 58 58 ARG HA H 58 3.419 3.644 -0.225 1
1 646 . 8 1 1 A 58 58 ARG C C 58 179.637 178.521 1.116 1
1 647 . 8 1 1 A 58 58 ARG CA C 58 56.820 59.003 -2.183 1
1 648 . 8 1 1 A 58 58 ARG CB C 58 28.359 29.277 -0.918 1
1 651 . 8 1 1 A 58 58 ARG N N 58 123.884 120.925 2.959 1
1 652 . 8 1 1 A 59 59 ARG H H 59 8.184 8.206 -0.022 1
1 653 . 8 1 1 A 59 59 ARG HA H 59 4.124 4.245 -0.121 1
1 659 . 8 1 1 A 59 59 ARG C C 59 178.836 178.340 0.496 1
1 660 . 8 1 1 A 59 59 ARG CA C 59 60.478 58.993 1.485 1
1 661 . 8 1 1 A 59 59 ARG CB C 59 31.667 29.702 1.965 1
1 664 . 8 1 1 A 59 59 ARG N N 59 117.828 118.292 -0.464 1
1 665 . 8 1 1 A 60 60 ALA H H 60 7.407 8.249 -0.842 1
1 666 . 8 1 1 A 60 60 ALA HA H 60 4.183 4.067 0.116 1
1 670 . 8 1 1 A 60 60 ALA C C 60 179.370 179.052 0.318 1
1 671 . 8 1 1 A 60 60 ALA CA C 60 54.509 55.183 -0.674 1
1 672 . 8 1 1 A 60 60 ALA CB C 60 18.207 18.288 -0.081 1
1 673 . 8 1 1 A 60 60 ALA N N 60 121.238 122.672 -1.434 1
1 674 . 8 1 1 A 61 61 LYS H H 61 7.564 8.257 -0.693 1
1 675 . 8 1 1 A 61 61 LYS HA H 61 4.143 3.866 0.277 1
1 684 . 8 1 1 A 61 61 LYS C C 61 177.767 178.419 -0.652 1
1 685 . 8 1 1 A 61 61 LYS CA C 61 57.671 59.308 -1.637 1
1 686 . 8 1 1 A 61 61 LYS CB C 61 32.490 32.138 0.352 1
1 690 . 8 1 1 A 61 61 LYS N N 61 118.322 118.098 0.224 1
1 691 . 8 1 1 A 62 62 CYS H H 62 7.725 7.977 -0.252 1
1 692 . 8 1 1 A 62 62 CYS HA H 62 4.401 4.143 0.258 1
1 695 . 8 1 1 A 62 62 CYS C C 62 175.752 177.003 -1.251 1
1 696 . 8 1 1 A 62 62 CYS CA C 62 60.540 62.178 -1.638 1
1 697 . 8 1 1 A 62 62 CYS CB C 62 27.654 27.620 0.034 1
1 698 . 8 1 1 A 62 62 CYS N N 62 117.981 117.908 0.073 1
1 699 . 8 1 1 A 63 63 ARG H H 63 8.044 7.861 0.183 1
1 700 . 8 1 1 A 63 63 ARG HA H 63 4.273 4.175 0.098 1
1 705 . 8 1 1 A 63 63 ARG C C 63 177.233 178.279 -1.046 1
1 706 . 8 1 1 A 63 63 ARG CA C 63 57.631 58.331 -0.700 1
1 707 . 8 1 1 A 63 63 ARG CB C 63 30.347 30.189 0.158 1
1 710 . 8 1 1 A 63 63 ARG N N 63 121.313 120.889 0.424 1
1 711 . 8 1 1 A 64 64 GLN H H 64 8.217 7.827 0.390 1
1 712 . 8 1 1 A 64 64 GLN HA H 64 4.262 4.002 0.260 1
1 718 . 8 1 1 A 64 64 GLN C C 64 176.942 175.717 1.225 1
1 719 . 8 1 1 A 64 64 GLN CA C 64 57.172 58.960 -1.788 1
1 720 . 8 1 1 A 64 64 GLN CB C 64 29.129 28.617 0.512 1
1 722 . 8 1 1 A 64 64 GLN N N 64 120.369 119.198 1.171 1
1 724 . 8 1 1 A 71 71 ASN CB C 71 37.967 42.373 -4.406 1
1 726 . 8 1 1 A 72 72 GLY HA2 H 72 3.984 3.773 0.211 1
1 727 . 8 1 1 A 72 72 GLY HA3 H 72 3.984 3.774 0.210 1
1 728 . 8 1 1 A 72 72 GLY C C 72 174.877 175.199 -0.322 1
1 729 . 8 1 1 A 72 72 GLY CA C 72 45.604 47.460 -1.856 1
1 730 . 8 1 1 A 73 73 GLY H H 73 8.288 8.441 -0.153 1
1 731 . 8 1 1 A 73 73 GLY HA2 H 73 3.986 3.964 0.022 1
1 732 . 8 1 1 A 73 73 GLY HA3 H 73 3.986 3.965 0.021 1
1 733 . 8 1 1 A 73 73 GLY C C 73 174.319 175.567 -1.248 1
1 734 . 8 1 1 A 73 73 GLY CA C 73 45.322 46.877 -1.555 1
1 735 . 8 1 1 A 73 73 GLY N N 73 108.597 108.095 0.502 1
1 736 . 8 1 1 A 74 74 GLN H H 74 8.281 7.736 0.545 1
1 737 . 8 1 1 A 74 74 GLN HA H 74 4.413 4.047 0.366 1
1 743 . 8 1 1 A 74 74 GLN C C 74 176.262 177.777 -1.515 1
1 744 . 8 1 1 A 74 74 GLN CA C 74 55.973 58.718 -2.745 1
1 745 . 8 1 1 A 74 74 GLN CB C 74 29.605 28.062 1.543 1
1 747 . 8 1 1 A 74 74 GLN N N 74 119.866 121.761 -1.895 1
1 749 . 8 1 1 A 75 75 SER H H 75 8.432 8.139 0.293 1
1 750 . 8 1 1 A 75 75 SER HA H 75 4.524 4.175 0.349 1
1 753 . 8 1 1 A 75 75 SER C C 75 174.586 175.379 -0.793 1
1 754 . 8 1 1 A 75 75 SER CA C 75 58.513 60.099 -1.586 1
1 755 . 8 1 1 A 75 75 SER CB C 75 64.061 62.991 1.070 1
1 756 . 8 1 1 A 75 75 SER N N 75 117.073 115.181 1.892 1
1 757 . 8 1 1 A 76 76 GLY H H 76 8.244 8.121 0.123 1
1 758 . 8 1 1 A 76 76 GLY HA2 H 76 4.171 3.795 0.376 1
1 759 . 8 1 1 A 76 76 GLY HA3 H 76 4.102 3.795 0.307 1
1 760 . 8 1 1 A 76 76 GLY C C 76 171.842 173.968 -2.126 1
1 761 . 8 1 1 A 76 76 GLY CA C 76 44.617 47.096 -2.479 1
1 762 . 8 1 1 A 76 76 GLY N N 76 110.727 110.540 0.187 1
1 763 . 8 1 1 A 77 77 PRO HA H 77 4.494 4.573 -0.079 1
1 770 . 8 1 1 A 77 77 PRO C C 77 177.476 176.097 1.379 1
1 771 . 8 1 1 A 77 77 PRO CA C 77 63.380 62.861 0.519 1
1 772 . 8 1 1 A 77 77 PRO CB C 77 32.231 31.807 0.424 1
1 775 . 8 1 1 A 78 78 SER H H 78 8.526 8.608 -0.082 1
1 776 . 8 1 1 A 78 78 SER HA H 78 4.514 4.641 -0.127 1
1 779 . 8 1 1 A 78 78 SER C C 78 174.756 174.389 0.367 1
1 780 . 8 1 1 A 78 78 SER CA C 78 58.513 57.037 1.476 1
1 781 . 8 1 1 A 78 78 SER CB C 78 63.896 63.216 0.680 1
1 782 . 8 1 1 A 78 78 SER N N 78 116.438 118.716 -2.278 1
1 783 . 8 1 1 A 79 79 SER H H 79 8.329 9.051 -0.722 1
1 784 . 8 1 1 A 79 79 SER HA H 79 4.502 4.524 -0.022 1
1 787 . 8 1 1 A 79 79 SER C C 79 173.954 174.551 -0.597 1
1 788 . 8 1 1 A 79 79 SER CA C 79 58.477 59.525 -1.048 1
1 789 . 8 1 1 A 79 79 SER CB C 79 64.019 65.156 -1.137 1
1 790 . 8 1 1 A 79 79 SER N N 79 117.859 125.046 -7.187 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.978 4.238 -0.260 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.978 4.239 -0.261 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.149 174.753 -0.604 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.393 44.975 0.418 1
1 5 . 9 1 1 A 8 8 ARG H H 8 8.135 8.695 -0.560 1
1 6 . 9 1 1 A 8 8 ARG C C 8 176.480 175.757 0.723 1
1 7 . 9 1 1 A 8 8 ARG CA C 8 56.589 56.149 0.440 1
1 8 . 9 1 1 A 8 8 ARG CB C 8 30.686 30.526 0.160 1
1 11 . 9 1 1 A 8 8 ARG N N 8 120.720 123.188 -2.468 1
1 12 . 9 1 1 A 9 9 ARG H H 9 8.471 8.387 0.084 1
1 13 . 9 1 1 A 9 9 ARG HA H 9 4.288 4.162 0.126 1
1 14 . 9 1 1 A 9 9 ARG C C 9 176.504 176.419 0.085 1
1 15 . 9 1 1 A 9 9 ARG CA C 9 56.432 56.434 -0.002 1
1 16 . 9 1 1 A 9 9 ARG CB C 9 30.466 30.550 -0.084 1
1 17 . 9 1 1 A 9 9 ARG N N 9 122.487 119.023 3.464 1
1 18 . 9 1 1 A 13 13 THR HA H 13 4.365 4.253 0.112 1
1 23 . 9 1 1 A 13 13 THR C C 13 173.954 174.616 -0.662 1
1 24 . 9 1 1 A 13 13 THR CA C 13 61.440 62.812 -1.372 1
1 25 . 9 1 1 A 13 13 THR CB C 13 70.210 70.007 0.203 1
1 27 . 9 1 1 A 14 14 PHE H H 14 8.297 8.783 -0.486 1
1 28 . 9 1 1 A 14 14 PHE HA H 14 4.941 4.975 -0.034 1
1 36 . 9 1 1 A 14 14 PHE C C 14 176.650 175.533 1.117 1
1 37 . 9 1 1 A 14 14 PHE CA C 14 57.077 58.392 -1.315 1
1 38 . 9 1 1 A 14 14 PHE CB C 14 41.503 39.944 1.559 1
1 44 . 9 1 1 A 14 14 PHE N N 14 121.677 123.016 -1.339 1
1 45 . 9 1 1 A 15 15 THR H H 15 9.009 8.880 0.129 1
1 46 . 9 1 1 A 15 15 THR HA H 15 4.493 4.979 -0.486 1
1 51 . 9 1 1 A 15 15 THR C C 15 175.314 176.367 -1.053 1
1 52 . 9 1 1 A 15 15 THR CA C 15 60.359 59.758 0.601 1
1 53 . 9 1 1 A 15 15 THR CB C 15 70.902 72.047 -1.145 1
1 55 . 9 1 1 A 15 15 THR N N 15 113.381 113.332 0.049 1
1 56 . 9 1 1 A 16 16 ARG H H 16 8.882 9.122 -0.240 1
1 57 . 9 1 1 A 16 16 ARG HA H 16 3.986 3.936 0.050 1
1 64 . 9 1 1 A 16 16 ARG C C 16 177.670 178.634 -0.964 1
1 65 . 9 1 1 A 16 16 ARG CA C 16 59.042 60.039 -0.997 1
1 66 . 9 1 1 A 16 16 ARG CB C 16 30.100 30.031 0.069 1
1 69 . 9 1 1 A 16 16 ARG N N 16 122.206 121.654 0.552 1
1 70 . 9 1 1 A 17 17 ALA H H 17 8.251 8.170 0.081 1
1 71 . 9 1 1 A 17 17 ALA HA H 17 4.159 4.062 0.097 1
1 75 . 9 1 1 A 17 17 ALA C C 17 181.386 179.989 1.397 1
1 76 . 9 1 1 A 17 17 ALA CA C 17 54.986 55.233 -0.247 1
1 77 . 9 1 1 A 17 17 ALA CB C 17 18.333 18.076 0.257 1
1 78 . 9 1 1 A 17 17 ALA N N 17 119.149 121.759 -2.610 1
1 79 . 9 1 1 A 18 18 GLN H H 18 7.533 7.718 -0.185 1
1 80 . 9 1 1 A 18 18 GLN HA H 18 3.858 3.984 -0.126 1
1 87 . 9 1 1 A 18 18 GLN C C 18 177.986 178.572 -0.586 1
1 88 . 9 1 1 A 18 18 GLN CA C 18 58.790 58.875 -0.085 1
1 89 . 9 1 1 A 18 18 GLN CB C 18 28.603 28.280 0.323 1
1 91 . 9 1 1 A 18 18 GLN N N 18 116.295 117.944 -1.649 1
1 93 . 9 1 1 A 19 19 LEU H H 19 8.417 8.569 -0.152 1
1 94 . 9 1 1 A 19 19 LEU HA H 19 3.547 3.676 -0.129 1
1 104 . 9 1 1 A 19 19 LEU C C 19 178.617 178.147 0.470 1
1 105 . 9 1 1 A 19 19 LEU CA C 19 57.745 57.779 -0.034 1
1 106 . 9 1 1 A 19 19 LEU CB C 19 41.584 41.866 -0.282 1
1 110 . 9 1 1 A 19 19 LEU N N 19 118.955 120.119 -1.164 1
1 111 . 9 1 1 A 20 20 ASP H H 20 8.537 8.364 0.173 1
1 112 . 9 1 1 A 20 20 ASP HA H 20 4.291 4.277 0.014 1
1 115 . 9 1 1 A 20 20 ASP C C 20 179.783 178.605 1.178 1
1 116 . 9 1 1 A 20 20 ASP CA C 20 57.666 57.519 0.147 1
1 117 . 9 1 1 A 20 20 ASP CB C 20 39.965 40.812 -0.847 1
1 118 . 9 1 1 A 20 20 ASP N N 20 118.356 118.405 -0.049 1
1 119 . 9 1 1 A 21 21 VAL H H 21 7.006 7.859 -0.853 1
1 120 . 9 1 1 A 21 21 VAL HA H 21 3.667 3.545 0.122 1
1 128 . 9 1 1 A 21 21 VAL C C 21 178.836 177.902 0.934 1
1 129 . 9 1 1 A 21 21 VAL CA C 21 66.062 66.627 -0.565 1
1 130 . 9 1 1 A 21 21 VAL CB C 21 32.006 31.413 0.593 1
1 133 . 9 1 1 A 21 21 VAL N N 21 120.507 118.512 1.995 1
1 134 . 9 1 1 A 22 22 LEU H H 22 7.638 7.975 -0.337 1
1 135 . 9 1 1 A 22 22 LEU HA H 22 3.557 3.711 -0.154 1
1 145 . 9 1 1 A 22 22 LEU C C 22 178.277 178.843 -0.566 1
1 146 . 9 1 1 A 22 22 LEU CA C 22 58.595 57.780 0.815 1
1 147 . 9 1 1 A 22 22 LEU CB C 22 38.402 40.609 -2.207 1
1 151 . 9 1 1 A 22 22 LEU N N 22 122.874 119.895 2.979 1
1 152 . 9 1 1 A 23 23 GLU H H 23 8.880 8.201 0.679 1
1 153 . 9 1 1 A 23 23 GLU HA H 23 4.162 4.200 -0.038 1
1 157 . 9 1 1 A 23 23 GLU C C 23 180.123 179.115 1.008 1
1 158 . 9 1 1 A 23 23 GLU CA C 23 59.182 59.161 0.021 1
1 159 . 9 1 1 A 23 23 GLU CB C 23 29.111 29.938 -0.827 1
1 161 . 9 1 1 A 23 23 GLU N N 23 117.314 117.460 -0.146 1
1 162 . 9 1 1 A 24 24 ALA H H 24 7.614 8.256 -0.642 1
1 163 . 9 1 1 A 24 24 ALA HA H 24 4.273 4.110 0.163 1
1 167 . 9 1 1 A 24 24 ALA C C 24 180.560 179.757 0.803 1
1 168 . 9 1 1 A 24 24 ALA CA C 24 55.023 54.855 0.168 1
1 169 . 9 1 1 A 24 24 ALA CB C 24 17.775 18.746 -0.971 1
1 170 . 9 1 1 A 24 24 ALA N N 24 122.032 122.487 -0.455 1
1 171 . 9 1 1 A 25 25 LEU H H 25 7.673 7.887 -0.214 1
1 172 . 9 1 1 A 25 25 LEU HA H 25 4.507 4.213 0.294 1
1 182 . 9 1 1 A 25 25 LEU C C 25 177.694 178.443 -0.749 1
1 183 . 9 1 1 A 25 25 LEU CA C 25 57.913 57.371 0.542 1
1 184 . 9 1 1 A 25 25 LEU CB C 25 40.753 41.849 -1.096 1
1 188 . 9 1 1 A 25 25 LEU N N 25 120.067 119.862 0.205 1
1 189 . 9 1 1 A 26 26 PHE H H 26 8.839 8.435 0.404 1
1 190 . 9 1 1 A 26 26 PHE HA H 26 4.765 4.193 0.572 1
1 198 . 9 1 1 A 26 26 PHE C C 26 175.800 177.577 -1.777 1
1 199 . 9 1 1 A 26 26 PHE CA C 26 61.017 59.820 1.197 1
1 200 . 9 1 1 A 26 26 PHE CB C 26 39.167 39.736 -0.569 1
1 206 . 9 1 1 A 26 26 PHE N N 26 121.428 120.024 1.404 1
1 207 . 9 1 1 A 27 27 ALA H H 27 7.825 7.588 0.237 1
1 208 . 9 1 1 A 27 27 ALA HA H 27 4.062 4.396 -0.334 1
1 212 . 9 1 1 A 27 27 ALA C C 27 179.273 179.044 0.229 1
1 213 . 9 1 1 A 27 27 ALA CA C 27 53.975 53.969 0.006 1
1 214 . 9 1 1 A 27 27 ALA CB C 27 18.276 19.021 -0.745 1
1 215 . 9 1 1 A 27 27 ALA N N 27 116.175 121.630 -5.455 1
1 216 . 9 1 1 A 28 28 LYS H H 28 7.618 7.798 -0.180 1
1 217 . 9 1 1 A 28 28 LYS HA H 28 4.251 4.312 -0.061 1
1 225 . 9 1 1 A 28 28 LYS C C 28 177.354 176.226 1.128 1
1 226 . 9 1 1 A 28 28 LYS CA C 28 58.122 58.389 -0.267 1
1 227 . 9 1 1 A 28 28 LYS CB C 28 33.315 32.875 0.440 1
1 231 . 9 1 1 A 28 28 LYS N N 28 118.586 113.955 4.631 1
1 232 . 9 1 1 A 29 29 THR H H 29 8.820 7.702 1.118 1
1 233 . 9 1 1 A 29 29 THR HA H 29 4.410 4.638 -0.228 1
1 238 . 9 1 1 A 29 29 THR C C 29 170.360 174.038 -3.678 1
1 239 . 9 1 1 A 29 29 THR CA C 29 59.749 61.292 -1.543 1
1 240 . 9 1 1 A 29 29 THR CB C 29 68.972 71.049 -2.077 1
1 242 . 9 1 1 A 29 29 THR N N 29 116.094 112.873 3.221 1
1 243 . 9 1 1 A 30 30 ARG H H 30 8.203 8.423 -0.220 1
1 244 . 9 1 1 A 30 30 ARG HA H 30 3.957 3.656 0.301 1
1 251 . 9 1 1 A 30 30 ARG C C 30 175.120 175.543 -0.423 1
1 252 . 9 1 1 A 30 30 ARG CA C 30 56.750 58.362 -1.612 1
1 253 . 9 1 1 A 30 30 ARG CB C 30 30.444 29.780 0.664 1
1 256 . 9 1 1 A 30 30 ARG N N 30 122.783 127.285 -4.502 1
1 257 . 9 1 1 A 31 31 TYR H H 31 8.002 7.914 0.088 1
1 258 . 9 1 1 A 31 31 TYR HA H 31 4.686 5.054 -0.368 1
1 265 . 9 1 1 A 31 31 TYR C C 31 172.910 172.897 0.013 1
1 266 . 9 1 1 A 31 31 TYR CA C 31 55.303 54.843 0.460 1
1 267 . 9 1 1 A 31 31 TYR CB C 31 39.057 38.642 0.415 1
1 272 . 9 1 1 A 31 31 TYR N N 31 114.710 117.197 -2.487 1
1 273 . 9 1 1 A 32 32 PRO HA H 32 4.427 4.642 -0.215 1
1 280 . 9 1 1 A 32 32 PRO C C 32 177.257 175.751 1.506 1
1 281 . 9 1 1 A 32 32 PRO CA C 32 62.838 62.596 0.242 1
1 282 . 9 1 1 A 32 32 PRO CB C 32 32.082 32.479 -0.397 1
1 285 . 9 1 1 A 33 33 ASP H H 33 7.804 8.625 -0.821 1
1 286 . 9 1 1 A 33 33 ASP HA H 33 4.509 4.829 -0.320 1
1 289 . 9 1 1 A 33 33 ASP C C 33 176.286 176.731 -0.445 1
1 290 . 9 1 1 A 33 33 ASP CA C 33 52.894 52.723 0.171 1
1 291 . 9 1 1 A 33 33 ASP CB C 33 41.475 42.775 -1.300 1
1 292 . 9 1 1 A 33 33 ASP N N 33 123.553 121.389 2.164 1
1 293 . 9 1 1 A 34 34 ILE H H 34 8.429 8.603 -0.174 1
1 294 . 9 1 1 A 34 34 ILE HA H 34 3.700 3.802 -0.102 1
1 304 . 9 1 1 A 34 34 ILE C C 34 175.412 177.680 -2.268 1
1 305 . 9 1 1 A 34 34 ILE CA C 34 63.602 64.193 -0.591 1
1 306 . 9 1 1 A 34 34 ILE CB C 34 37.846 37.574 0.272 1
1 310 . 9 1 1 A 34 34 ILE N N 34 117.269 125.087 -7.818 1
1 311 . 9 1 1 A 35 35 PHE H H 35 7.086 8.011 -0.925 1
1 312 . 9 1 1 A 35 35 PHE HA H 35 4.287 4.369 -0.082 1
1 320 . 9 1 1 A 35 35 PHE C C 35 179.589 178.285 1.304 1
1 321 . 9 1 1 A 35 35 PHE CA C 35 60.676 60.497 0.179 1
1 322 . 9 1 1 A 35 35 PHE CB C 35 37.731 38.889 -1.158 1
1 328 . 9 1 1 A 35 35 PHE N N 35 121.852 120.884 0.968 1
1 329 . 9 1 1 A 36 36 MET H H 36 8.559 8.254 0.305 1
1 330 . 9 1 1 A 36 36 MET HA H 36 4.216 4.048 0.168 1
1 338 . 9 1 1 A 36 36 MET C C 36 179.904 178.688 1.216 1
1 339 . 9 1 1 A 36 36 MET CA C 36 58.849 59.189 -0.340 1
1 340 . 9 1 1 A 36 36 MET CB C 36 33.757 32.556 1.201 1
1 343 . 9 1 1 A 36 36 MET N N 36 120.502 117.561 2.941 1
1 344 . 9 1 1 A 37 37 ARG H H 37 8.495 8.239 0.256 1
1 345 . 9 1 1 A 37 37 ARG HA H 37 3.839 3.986 -0.147 1
1 352 . 9 1 1 A 37 37 ARG C C 37 178.326 179.227 -0.901 1
1 353 . 9 1 1 A 37 37 ARG CA C 37 60.738 59.669 1.069 1
1 354 . 9 1 1 A 37 37 ARG CB C 37 31.601 29.947 1.654 1
1 357 . 9 1 1 A 37 37 ARG N N 37 117.379 118.942 -1.563 1
1 358 . 9 1 1 A 38 38 GLU H H 38 8.793 8.481 0.312 1
1 359 . 9 1 1 A 38 38 GLU HA H 38 4.028 4.088 -0.060 1
1 364 . 9 1 1 A 38 38 GLU C C 38 179.079 178.898 0.181 1
1 365 . 9 1 1 A 38 38 GLU CA C 38 59.682 59.085 0.597 1
1 366 . 9 1 1 A 38 38 GLU CB C 38 29.555 29.209 0.346 1
1 368 . 9 1 1 A 38 38 GLU N N 38 119.411 119.734 -0.323 1
1 369 . 9 1 1 A 39 39 GLU H H 39 7.909 8.023 -0.114 1
1 370 . 9 1 1 A 39 39 GLU HA H 39 4.090 4.116 -0.026 1
1 375 . 9 1 1 A 39 39 GLU C C 39 179.662 178.819 0.843 1
1 376 . 9 1 1 A 39 39 GLU CA C 39 59.776 59.316 0.460 1
1 377 . 9 1 1 A 39 39 GLU CB C 39 29.688 29.737 -0.049 1
1 379 . 9 1 1 A 39 39 GLU N N 39 119.625 120.472 -0.847 1
1 380 . 9 1 1 A 40 40 VAL H H 40 7.732 7.997 -0.265 1
1 381 . 9 1 1 A 40 40 VAL HA H 40 3.836 3.592 0.244 1
1 389 . 9 1 1 A 40 40 VAL C C 40 176.674 178.154 -1.480 1
1 390 . 9 1 1 A 40 40 VAL CA C 40 65.856 66.764 -0.908 1
1 391 . 9 1 1 A 40 40 VAL CB C 40 31.416 31.549 -0.133 1
1 394 . 9 1 1 A 40 40 VAL N N 40 118.226 119.716 -1.490 1
1 395 . 9 1 1 A 41 41 ALA H H 41 8.405 8.384 0.021 1
1 396 . 9 1 1 A 41 41 ALA HA H 41 3.843 4.040 -0.197 1
1 400 . 9 1 1 A 41 41 ALA C C 41 179.856 178.950 0.906 1
1 401 . 9 1 1 A 41 41 ALA CA C 41 56.009 54.741 1.268 1
1 402 . 9 1 1 A 41 41 ALA CB C 41 17.646 18.622 -0.976 1
1 403 . 9 1 1 A 41 41 ALA N N 41 124.532 121.039 3.493 1
1 404 . 9 1 1 A 42 42 LEU H H 42 7.711 7.826 -0.115 1
1 405 . 9 1 1 A 42 42 LEU HA H 42 4.199 4.225 -0.026 1
1 415 . 9 1 1 A 42 42 LEU C C 42 180.317 179.121 1.196 1
1 416 . 9 1 1 A 42 42 LEU CA C 42 57.484 56.048 1.436 1
1 417 . 9 1 1 A 42 42 LEU CB C 42 42.346 42.227 0.119 1
1 421 . 9 1 1 A 42 42 LEU N N 42 116.217 118.125 -1.908 1
1 422 . 9 1 1 A 43 43 LYS H H 43 7.615 8.283 -0.668 1
1 423 . 9 1 1 A 43 43 LYS HA H 43 4.133 4.100 0.033 1
1 432 . 9 1 1 A 43 43 LYS C C 43 178.933 179.232 -0.299 1
1 433 . 9 1 1 A 43 43 LYS CA C 43 59.269 59.224 0.045 1
1 434 . 9 1 1 A 43 43 LYS CB C 43 33.232 32.612 0.620 1
1 438 . 9 1 1 A 43 43 LYS N N 43 118.909 120.565 -1.656 1
1 439 . 9 1 1 A 44 44 ILE H H 44 8.057 8.004 0.053 1
1 440 . 9 1 1 A 44 44 ILE HA H 44 4.638 4.023 0.615 1
1 450 . 9 1 1 A 44 44 ILE C C 44 174.853 176.584 -1.731 1
1 451 . 9 1 1 A 44 44 ILE CA C 44 60.676 62.239 -1.563 1
1 452 . 9 1 1 A 44 44 ILE CB C 44 38.258 37.906 0.352 1
1 456 . 9 1 1 A 44 44 ILE N N 44 108.541 115.466 -6.925 1
1 457 . 9 1 1 A 45 45 ASN H H 45 7.885 8.208 -0.323 1
1 458 . 9 1 1 A 45 45 ASN HA H 45 4.400 4.339 0.061 1
1 463 . 9 1 1 A 45 45 ASN C C 45 173.857 173.859 -0.002 1
1 464 . 9 1 1 A 45 45 ASN CA C 45 54.104 54.138 -0.034 1
1 465 . 9 1 1 A 45 45 ASN CB C 45 37.082 37.257 -0.175 1
1 466 . 9 1 1 A 45 45 ASN N N 45 119.396 120.425 -1.029 1
1 468 . 9 1 1 A 46 46 LEU H H 46 8.195 7.607 0.588 1
1 469 . 9 1 1 A 46 46 LEU HA H 46 4.961 4.793 0.168 1
1 479 . 9 1 1 A 46 46 LEU CA C 46 52.101 51.411 0.690 1
1 480 . 9 1 1 A 46 46 LEU CB C 46 46.563 45.177 1.386 1
1 484 . 9 1 1 A 46 46 LEU N N 46 119.142 118.769 0.373 1
1 485 . 9 1 1 A 47 47 PRO HA H 47 4.547 4.674 -0.127 1
1 492 . 9 1 1 A 47 47 PRO C C 47 178.350 177.835 0.515 1
1 493 . 9 1 1 A 47 47 PRO CA C 47 62.434 62.844 -0.410 1
1 494 . 9 1 1 A 47 47 PRO CB C 47 32.295 31.704 0.591 1
1 497 . 9 1 1 A 48 48 GLU H H 48 9.242 9.066 0.176 1
1 498 . 9 1 1 A 48 48 GLU HA H 48 3.689 4.021 -0.332 1
1 503 . 9 1 1 A 48 48 GLU C C 48 178.326 178.334 -0.008 1
1 504 . 9 1 1 A 48 48 GLU CA C 48 61.058 59.646 1.412 1
1 505 . 9 1 1 A 48 48 GLU CB C 48 28.537 29.592 -1.055 1
1 507 . 9 1 1 A 48 48 GLU N N 48 125.487 125.210 0.277 1
1 508 . 9 1 1 A 49 49 SER H H 49 8.653 7.910 0.743 1
1 509 . 9 1 1 A 49 49 SER HA H 49 4.058 4.123 -0.065 1
1 512 . 9 1 1 A 49 49 SER C C 49 177.549 177.526 0.023 1
1 513 . 9 1 1 A 49 49 SER CA C 49 61.266 61.764 -0.498 1
1 514 . 9 1 1 A 49 49 SER CB C 49 61.658 63.050 -1.392 1
1 515 . 9 1 1 A 49 49 SER N N 49 113.467 114.473 -1.006 1
1 516 . 9 1 1 A 50 50 ARG H H 50 7.489 8.126 -0.637 1
1 517 . 9 1 1 A 50 50 ARG HA H 50 4.344 4.340 0.004 1
1 524 . 9 1 1 A 50 50 ARG C C 50 179.467 179.027 0.440 1
1 525 . 9 1 1 A 50 50 ARG CA C 50 57.575 59.261 -1.686 1
1 526 . 9 1 1 A 50 50 ARG CB C 50 29.523 29.939 -0.416 1
1 529 . 9 1 1 A 50 50 ARG N N 50 120.329 121.839 -1.510 1
1 530 . 9 1 1 A 51 51 VAL H H 51 7.598 7.356 0.242 1
1 531 . 9 1 1 A 51 51 VAL HA H 51 3.733 3.772 -0.039 1
1 539 . 9 1 1 A 51 51 VAL C C 51 177.767 177.994 -0.227 1
1 540 . 9 1 1 A 51 51 VAL CA C 51 67.082 66.455 0.627 1
1 541 . 9 1 1 A 51 51 VAL CB C 51 31.945 31.829 0.116 1
1 544 . 9 1 1 A 51 51 VAL N N 51 121.456 119.991 1.465 1
1 545 . 9 1 1 A 52 52 GLN H H 52 8.579 8.507 0.072 1
1 546 . 9 1 1 A 52 52 GLN HA H 52 4.338 3.915 0.423 1
1 553 . 9 1 1 A 52 52 GLN C C 52 178.836 178.551 0.285 1
1 554 . 9 1 1 A 52 52 GLN CA C 52 60.257 59.134 1.123 1
1 555 . 9 1 1 A 52 52 GLN CB C 52 28.377 28.178 0.199 1
1 557 . 9 1 1 A 52 52 GLN N N 52 119.679 119.512 0.167 1
1 559 . 9 1 1 A 53 53 VAL H H 53 7.777 7.917 -0.140 1
1 560 . 9 1 1 A 53 53 VAL HA H 53 3.667 3.745 -0.078 1
1 568 . 9 1 1 A 53 53 VAL C C 53 177.379 178.166 -0.787 1
1 569 . 9 1 1 A 53 53 VAL CA C 53 67.004 66.251 0.753 1
1 570 . 9 1 1 A 53 53 VAL CB C 53 32.237 31.880 0.357 1
1 573 . 9 1 1 A 53 53 VAL N N 53 119.215 119.502 -0.287 1
1 574 . 9 1 1 A 54 54 TRP H H 54 8.177 8.488 -0.311 1
1 575 . 9 1 1 A 54 54 TRP HA H 54 4.074 4.213 -0.139 1
1 584 . 9 1 1 A 54 54 TRP C C 54 179.589 178.088 1.501 1
1 585 . 9 1 1 A 54 54 TRP CA C 54 63.273 60.549 2.724 1
1 586 . 9 1 1 A 54 54 TRP CB C 54 28.458 29.966 -1.508 1
1 592 . 9 1 1 A 54 54 TRP N N 54 120.980 121.203 -0.223 1
1 594 . 9 1 1 A 55 55 PHE H H 55 8.755 7.758 0.997 1
1 595 . 9 1 1 A 55 55 PHE HA H 55 3.626 4.567 -0.941 1
1 603 . 9 1 1 A 55 55 PHE C C 55 177.937 178.865 -0.928 1
1 604 . 9 1 1 A 55 55 PHE CA C 55 64.064 61.185 2.879 1
1 605 . 9 1 1 A 55 55 PHE CB C 55 39.579 39.609 -0.030 1
1 611 . 9 1 1 A 55 55 PHE N N 55 118.177 117.080 1.097 1
1 612 . 9 1 1 A 56 56 LYS H H 56 8.169 7.924 0.245 1
1 613 . 9 1 1 A 56 56 LYS HA H 56 3.914 4.165 -0.251 1
1 620 . 9 1 1 A 56 56 LYS C C 56 179.929 178.646 1.283 1
1 621 . 9 1 1 A 56 56 LYS CA C 56 60.488 59.004 1.484 1
1 622 . 9 1 1 A 56 56 LYS CB C 56 32.243 31.805 0.438 1
1 626 . 9 1 1 A 56 56 LYS N N 56 119.649 118.239 1.410 1
1 627 . 9 1 1 A 57 57 ASN H H 57 8.238 7.752 0.486 1
1 628 . 9 1 1 A 57 57 ASN HA H 57 4.345 4.462 -0.117 1
1 633 . 9 1 1 A 57 57 ASN C C 57 177.379 177.653 -0.274 1
1 634 . 9 1 1 A 57 57 ASN CA C 57 55.515 55.511 0.004 1
1 635 . 9 1 1 A 57 57 ASN CB C 57 37.887 38.376 -0.489 1
1 636 . 9 1 1 A 57 57 ASN N N 57 118.635 117.930 0.705 1
1 638 . 9 1 1 A 58 58 ARG H H 58 8.347 7.258 1.089 1
1 639 . 9 1 1 A 58 58 ARG HA H 58 3.419 3.495 -0.076 1
1 646 . 9 1 1 A 58 58 ARG C C 58 179.637 178.183 1.454 1
1 647 . 9 1 1 A 58 58 ARG CA C 58 56.820 59.559 -2.739 1
1 648 . 9 1 1 A 58 58 ARG CB C 58 28.359 29.201 -0.842 1
1 651 . 9 1 1 A 58 58 ARG N N 58 123.884 118.806 5.078 1
1 652 . 9 1 1 A 59 59 ARG H H 59 8.184 7.756 0.428 1
1 653 . 9 1 1 A 59 59 ARG HA H 59 4.124 4.194 -0.070 1
1 659 . 9 1 1 A 59 59 ARG C C 59 178.836 178.439 0.397 1
1 660 . 9 1 1 A 59 59 ARG CA C 59 60.478 59.532 0.946 1
1 661 . 9 1 1 A 59 59 ARG CB C 59 31.667 30.080 1.587 1
1 664 . 9 1 1 A 59 59 ARG N N 59 117.828 119.717 -1.889 1
1 665 . 9 1 1 A 60 60 ALA H H 60 7.407 7.947 -0.540 1
1 666 . 9 1 1 A 60 60 ALA HA H 60 4.183 4.124 0.059 1
1 670 . 9 1 1 A 60 60 ALA C C 60 179.370 180.014 -0.644 1
1 671 . 9 1 1 A 60 60 ALA CA C 60 54.509 55.216 -0.707 1
1 672 . 9 1 1 A 60 60 ALA CB C 60 18.207 18.224 -0.017 1
1 673 . 9 1 1 A 60 60 ALA N N 60 121.238 120.620 0.618 1
1 674 . 9 1 1 A 61 61 LYS H H 61 7.564 7.937 -0.373 1
1 675 . 9 1 1 A 61 61 LYS HA H 61 4.143 3.971 0.172 1
1 684 . 9 1 1 A 61 61 LYS C C 61 177.767 178.724 -0.957 1
1 685 . 9 1 1 A 61 61 LYS CA C 61 57.671 59.075 -1.404 1
1 686 . 9 1 1 A 61 61 LYS CB C 61 32.490 31.856 0.634 1
1 690 . 9 1 1 A 61 61 LYS N N 61 118.322 116.733 1.589 1
1 691 . 9 1 1 A 62 62 CYS H H 62 7.725 8.056 -0.331 1
1 692 . 9 1 1 A 62 62 CYS HA H 62 4.401 3.976 0.425 1
1 695 . 9 1 1 A 62 62 CYS C C 62 175.752 176.669 -0.917 1
1 696 . 9 1 1 A 62 62 CYS CA C 62 60.540 62.678 -2.138 1
1 697 . 9 1 1 A 62 62 CYS CB C 62 27.654 26.775 0.879 1
1 698 . 9 1 1 A 62 62 CYS N N 62 117.981 119.241 -1.260 1
1 699 . 9 1 1 A 63 63 ARG H H 63 8.044 7.767 0.277 1
1 700 . 9 1 1 A 63 63 ARG HA H 63 4.273 4.071 0.202 1
1 705 . 9 1 1 A 63 63 ARG C C 63 177.233 178.654 -1.421 1
1 706 . 9 1 1 A 63 63 ARG CA C 63 57.631 58.391 -0.760 1
1 707 . 9 1 1 A 63 63 ARG CB C 63 30.347 29.586 0.761 1
1 710 . 9 1 1 A 63 63 ARG N N 63 121.313 119.633 1.680 1
1 711 . 9 1 1 A 64 64 GLN H H 64 8.217 7.779 0.438 1
1 712 . 9 1 1 A 64 64 GLN HA H 64 4.262 4.069 0.193 1
1 718 . 9 1 1 A 64 64 GLN C C 64 176.942 176.672 0.270 1
1 719 . 9 1 1 A 64 64 GLN CA C 64 57.172 58.773 -1.601 1
1 720 . 9 1 1 A 64 64 GLN CB C 64 29.129 28.616 0.513 1
1 722 . 9 1 1 A 64 64 GLN N N 64 120.369 119.787 0.582 1
1 724 . 9 1 1 A 71 71 ASN CB C 71 37.967 38.617 -0.650 1
1 726 . 9 1 1 A 72 72 GLY HA2 H 72 3.984 3.918 0.066 1
1 727 . 9 1 1 A 72 72 GLY HA3 H 72 3.984 3.918 0.066 1
1 728 . 9 1 1 A 72 72 GLY C C 72 174.877 174.164 0.713 1
1 729 . 9 1 1 A 72 72 GLY CA C 72 45.604 46.327 -0.723 1
1 730 . 9 1 1 A 73 73 GLY H H 73 8.288 8.343 -0.055 1
1 731 . 9 1 1 A 73 73 GLY HA2 H 73 3.986 4.319 -0.333 1
1 732 . 9 1 1 A 73 73 GLY HA3 H 73 3.986 4.319 -0.333 1
1 733 . 9 1 1 A 73 73 GLY C C 73 174.319 171.758 2.561 1
1 734 . 9 1 1 A 73 73 GLY CA C 73 45.322 46.164 -0.842 1
1 735 . 9 1 1 A 73 73 GLY N N 73 108.597 110.210 -1.613 1
1 736 . 9 1 1 A 74 74 GLN H H 74 8.281 8.534 -0.253 1
1 737 . 9 1 1 A 74 74 GLN HA H 74 4.413 4.690 -0.277 1
1 743 . 9 1 1 A 74 74 GLN C C 74 176.262 175.212 1.050 1
1 744 . 9 1 1 A 74 74 GLN CA C 74 55.973 55.346 0.627 1
1 745 . 9 1 1 A 74 74 GLN CB C 74 29.605 29.309 0.296 1
1 747 . 9 1 1 A 74 74 GLN N N 74 119.866 121.998 -2.132 1
1 749 . 9 1 1 A 75 75 SER H H 75 8.432 8.547 -0.115 1
1 750 . 9 1 1 A 75 75 SER HA H 75 4.524 4.926 -0.402 1
1 753 . 9 1 1 A 75 75 SER C C 75 174.586 172.924 1.662 1
1 754 . 9 1 1 A 75 75 SER CA C 75 58.513 56.675 1.838 1
1 755 . 9 1 1 A 75 75 SER CB C 75 64.061 65.031 -0.970 1
1 756 . 9 1 1 A 75 75 SER N N 75 117.073 118.867 -1.794 1
1 757 . 9 1 1 A 76 76 GLY H H 76 8.244 8.420 -0.176 1
1 758 . 9 1 1 A 76 76 GLY HA2 H 76 4.171 4.204 -0.033 1
1 759 . 9 1 1 A 76 76 GLY HA3 H 76 4.102 4.208 -0.106 1
1 760 . 9 1 1 A 76 76 GLY C C 76 171.842 171.423 0.419 1
1 761 . 9 1 1 A 76 76 GLY CA C 76 44.617 45.458 -0.841 1
1 762 . 9 1 1 A 76 76 GLY N N 76 110.727 109.610 1.117 1
1 763 . 9 1 1 A 77 77 PRO HA H 77 4.494 4.673 -0.179 1
1 770 . 9 1 1 A 77 77 PRO C C 77 177.476 176.940 0.536 1
1 771 . 9 1 1 A 77 77 PRO CA C 77 63.380 62.671 0.709 1
1 772 . 9 1 1 A 77 77 PRO CB C 77 32.231 31.706 0.525 1
1 775 . 9 1 1 A 78 78 SER H H 78 8.526 8.766 -0.240 1
1 776 . 9 1 1 A 78 78 SER HA H 78 4.514 4.259 0.255 1
1 779 . 9 1 1 A 78 78 SER C C 78 174.756 175.959 -1.203 1
1 780 . 9 1 1 A 78 78 SER CA C 78 58.513 61.617 -3.104 1
1 781 . 9 1 1 A 78 78 SER CB C 78 63.896 63.557 0.339 1
1 782 . 9 1 1 A 78 78 SER N N 78 116.438 119.935 -3.497 1
1 783 . 9 1 1 A 79 79 SER H H 79 8.329 8.062 0.267 1
1 784 . 9 1 1 A 79 79 SER HA H 79 4.502 4.301 0.201 1
1 787 . 9 1 1 A 79 79 SER C C 79 173.954 174.897 -0.943 1
1 788 . 9 1 1 A 79 79 SER CA C 79 58.477 61.790 -3.313 1
1 789 . 9 1 1 A 79 79 SER CB C 79 64.019 63.042 0.977 1
1 790 . 9 1 1 A 79 79 SER N N 79 117.859 116.438 1.421 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.978 4.205 -0.227 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.978 4.208 -0.230 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.149 172.784 1.365 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.393 45.329 0.064 1
1 5 . 10 1 1 A 8 8 ARG H H 8 8.135 8.598 -0.463 1
1 6 . 10 1 1 A 8 8 ARG C C 8 176.480 175.656 0.824 1
1 7 . 10 1 1 A 8 8 ARG CA C 8 56.589 55.870 0.719 1
1 8 . 10 1 1 A 8 8 ARG CB C 8 30.686 29.580 1.106 1
1 11 . 10 1 1 A 8 8 ARG N N 8 120.720 125.248 -4.528 1
1 12 . 10 1 1 A 9 9 ARG H H 9 8.471 7.966 0.505 1
1 13 . 10 1 1 A 9 9 ARG HA H 9 4.288 4.661 -0.373 1
1 14 . 10 1 1 A 9 9 ARG C C 9 176.504 173.737 2.767 1
1 15 . 10 1 1 A 9 9 ARG CA C 9 56.432 55.464 0.968 1
1 16 . 10 1 1 A 9 9 ARG CB C 9 30.466 34.418 -3.952 1
1 17 . 10 1 1 A 9 9 ARG N N 9 122.487 124.267 -1.780 1
1 18 . 10 1 1 A 13 13 THR HA H 13 4.365 4.443 -0.078 1
1 23 . 10 1 1 A 13 13 THR C C 13 173.954 172.824 1.130 1
1 24 . 10 1 1 A 13 13 THR CA C 13 61.440 60.709 0.731 1
1 25 . 10 1 1 A 13 13 THR CB C 13 70.210 68.218 1.992 1
1 27 . 10 1 1 A 14 14 PHE H H 14 8.297 7.538 0.759 1
1 28 . 10 1 1 A 14 14 PHE HA H 14 4.941 5.096 -0.155 1
1 36 . 10 1 1 A 14 14 PHE C C 14 176.650 175.810 0.840 1
1 37 . 10 1 1 A 14 14 PHE CA C 14 57.077 56.137 0.940 1
1 38 . 10 1 1 A 14 14 PHE CB C 14 41.503 40.183 1.320 1
1 44 . 10 1 1 A 14 14 PHE N N 14 121.677 121.436 0.241 1
1 45 . 10 1 1 A 15 15 THR H H 15 9.009 8.887 0.122 1
1 46 . 10 1 1 A 15 15 THR HA H 15 4.493 4.766 -0.273 1
1 51 . 10 1 1 A 15 15 THR C C 15 175.314 175.614 -0.300 1
1 52 . 10 1 1 A 15 15 THR CA C 15 60.359 60.566 -0.207 1
1 53 . 10 1 1 A 15 15 THR CB C 15 70.902 71.350 -0.448 1
1 55 . 10 1 1 A 15 15 THR N N 15 113.381 115.749 -2.368 1
1 56 . 10 1 1 A 16 16 ARG H H 16 8.882 8.993 -0.111 1
1 57 . 10 1 1 A 16 16 ARG HA H 16 3.986 3.968 0.018 1
1 64 . 10 1 1 A 16 16 ARG C C 16 177.670 177.973 -0.303 1
1 65 . 10 1 1 A 16 16 ARG CA C 16 59.042 59.895 -0.853 1
1 66 . 10 1 1 A 16 16 ARG CB C 16 30.100 29.852 0.248 1
1 69 . 10 1 1 A 16 16 ARG N N 16 122.206 122.469 -0.263 1
1 70 . 10 1 1 A 17 17 ALA H H 17 8.251 8.124 0.127 1
1 71 . 10 1 1 A 17 17 ALA HA H 17 4.159 4.023 0.136 1
1 75 . 10 1 1 A 17 17 ALA C C 17 181.386 179.975 1.411 1
1 76 . 10 1 1 A 17 17 ALA CA C 17 54.986 55.413 -0.427 1
1 77 . 10 1 1 A 17 17 ALA CB C 17 18.333 18.276 0.057 1
1 78 . 10 1 1 A 17 17 ALA N N 17 119.149 120.868 -1.719 1
1 79 . 10 1 1 A 18 18 GLN H H 18 7.533 7.911 -0.378 1
1 80 . 10 1 1 A 18 18 GLN HA H 18 3.858 4.004 -0.146 1
1 87 . 10 1 1 A 18 18 GLN C C 18 177.986 178.625 -0.639 1
1 88 . 10 1 1 A 18 18 GLN CA C 18 58.790 58.863 -0.073 1
1 89 . 10 1 1 A 18 18 GLN CB C 18 28.603 28.341 0.262 1
1 91 . 10 1 1 A 18 18 GLN N N 18 116.295 117.280 -0.985 1
1 93 . 10 1 1 A 19 19 LEU H H 19 8.417 8.394 0.023 1
1 94 . 10 1 1 A 19 19 LEU HA H 19 3.547 3.679 -0.132 1
1 104 . 10 1 1 A 19 19 LEU C C 19 178.617 178.331 0.286 1
1 105 . 10 1 1 A 19 19 LEU CA C 19 57.745 58.088 -0.343 1
1 106 . 10 1 1 A 19 19 LEU CB C 19 41.584 41.627 -0.043 1
1 110 . 10 1 1 A 19 19 LEU N N 19 118.955 120.628 -1.673 1
1 111 . 10 1 1 A 20 20 ASP H H 20 8.537 8.218 0.319 1
1 112 . 10 1 1 A 20 20 ASP HA H 20 4.291 4.266 0.025 1
1 115 . 10 1 1 A 20 20 ASP C C 20 179.783 178.630 1.153 1
1 116 . 10 1 1 A 20 20 ASP CA C 20 57.666 57.384 0.282 1
1 117 . 10 1 1 A 20 20 ASP CB C 20 39.965 40.871 -0.906 1
1 118 . 10 1 1 A 20 20 ASP N N 20 118.356 118.291 0.065 1
1 119 . 10 1 1 A 21 21 VAL H H 21 7.006 7.675 -0.669 1
1 120 . 10 1 1 A 21 21 VAL HA H 21 3.667 3.528 0.139 1
1 128 . 10 1 1 A 21 21 VAL C C 21 178.836 177.700 1.136 1
1 129 . 10 1 1 A 21 21 VAL CA C 21 66.062 66.523 -0.461 1
1 130 . 10 1 1 A 21 21 VAL CB C 21 32.006 31.741 0.265 1
1 133 . 10 1 1 A 21 21 VAL N N 21 120.507 118.903 1.604 1
1 134 . 10 1 1 A 22 22 LEU H H 22 7.638 7.772 -0.134 1
1 135 . 10 1 1 A 22 22 LEU HA H 22 3.557 3.507 0.050 1
1 145 . 10 1 1 A 22 22 LEU C C 22 178.277 179.086 -0.809 1
1 146 . 10 1 1 A 22 22 LEU CA C 22 58.595 57.824 0.771 1
1 147 . 10 1 1 A 22 22 LEU CB C 22 38.402 40.365 -1.963 1
1 151 . 10 1 1 A 22 22 LEU N N 22 122.874 118.812 4.062 1
1 152 . 10 1 1 A 23 23 GLU H H 23 8.880 8.346 0.534 1
1 153 . 10 1 1 A 23 23 GLU HA H 23 4.162 4.150 0.012 1
1 157 . 10 1 1 A 23 23 GLU C C 23 180.123 178.791 1.332 1
1 158 . 10 1 1 A 23 23 GLU CA C 23 59.182 59.017 0.165 1
1 159 . 10 1 1 A 23 23 GLU CB C 23 29.111 29.758 -0.647 1
1 161 . 10 1 1 A 23 23 GLU N N 23 117.314 118.349 -1.035 1
1 162 . 10 1 1 A 24 24 ALA H H 24 7.614 8.147 -0.533 1
1 163 . 10 1 1 A 24 24 ALA HA H 24 4.273 4.139 0.134 1
1 167 . 10 1 1 A 24 24 ALA C C 24 180.560 179.641 0.919 1
1 168 . 10 1 1 A 24 24 ALA CA C 24 55.023 55.067 -0.044 1
1 169 . 10 1 1 A 24 24 ALA CB C 24 17.775 18.652 -0.877 1
1 170 . 10 1 1 A 24 24 ALA N N 24 122.032 122.774 -0.742 1
1 171 . 10 1 1 A 25 25 LEU H H 25 7.673 7.891 -0.218 1
1 172 . 10 1 1 A 25 25 LEU HA H 25 4.507 4.149 0.358 1
1 182 . 10 1 1 A 25 25 LEU C C 25 177.694 178.918 -1.224 1
1 183 . 10 1 1 A 25 25 LEU CA C 25 57.913 57.647 0.266 1
1 184 . 10 1 1 A 25 25 LEU CB C 25 40.753 41.683 -0.930 1
1 188 . 10 1 1 A 25 25 LEU N N 25 120.067 119.648 0.419 1
1 189 . 10 1 1 A 26 26 PHE H H 26 8.839 8.787 0.052 1
1 190 . 10 1 1 A 26 26 PHE HA H 26 4.765 4.526 0.239 1
1 198 . 10 1 1 A 26 26 PHE C C 26 175.800 178.113 -2.313 1
1 199 . 10 1 1 A 26 26 PHE CA C 26 61.017 61.645 -0.628 1
1 200 . 10 1 1 A 26 26 PHE CB C 26 39.167 39.206 -0.039 1
1 206 . 10 1 1 A 26 26 PHE N N 26 121.428 119.922 1.506 1
1 207 . 10 1 1 A 27 27 ALA H H 27 7.825 8.400 -0.575 1
1 208 . 10 1 1 A 27 27 ALA HA H 27 4.062 4.355 -0.293 1
1 212 . 10 1 1 A 27 27 ALA C C 27 179.273 178.657 0.616 1
1 213 . 10 1 1 A 27 27 ALA CA C 27 53.975 54.712 -0.737 1
1 214 . 10 1 1 A 27 27 ALA CB C 27 18.276 18.449 -0.173 1
1 215 . 10 1 1 A 27 27 ALA N N 27 116.175 121.508 -5.333 1
1 216 . 10 1 1 A 28 28 LYS H H 28 7.618 7.844 -0.226 1
1 217 . 10 1 1 A 28 28 LYS HA H 28 4.251 4.491 -0.240 1
1 225 . 10 1 1 A 28 28 LYS C C 28 177.354 176.233 1.121 1
1 226 . 10 1 1 A 28 28 LYS CA C 28 58.122 57.048 1.074 1
1 227 . 10 1 1 A 28 28 LYS CB C 28 33.315 33.891 -0.576 1
1 231 . 10 1 1 A 28 28 LYS N N 28 118.586 113.759 4.827 1
1 232 . 10 1 1 A 29 29 THR H H 29 8.820 7.985 0.835 1
1 233 . 10 1 1 A 29 29 THR HA H 29 4.410 4.550 -0.140 1
1 238 . 10 1 1 A 29 29 THR C C 29 170.360 174.012 -3.652 1
1 239 . 10 1 1 A 29 29 THR CA C 29 59.749 61.254 -1.505 1
1 240 . 10 1 1 A 29 29 THR CB C 29 68.972 71.016 -2.044 1
1 242 . 10 1 1 A 29 29 THR N N 29 116.094 113.237 2.857 1
1 243 . 10 1 1 A 30 30 ARG H H 30 8.203 8.379 -0.176 1
1 244 . 10 1 1 A 30 30 ARG HA H 30 3.957 3.789 0.168 1
1 251 . 10 1 1 A 30 30 ARG C C 30 175.120 175.544 -0.424 1
1 252 . 10 1 1 A 30 30 ARG CA C 30 56.750 58.485 -1.735 1
1 253 . 10 1 1 A 30 30 ARG CB C 30 30.444 29.975 0.469 1
1 256 . 10 1 1 A 30 30 ARG N N 30 122.783 127.033 -4.250 1
1 257 . 10 1 1 A 31 31 TYR H H 31 8.002 7.929 0.073 1
1 258 . 10 1 1 A 31 31 TYR HA H 31 4.686 4.851 -0.165 1
1 265 . 10 1 1 A 31 31 TYR C C 31 172.910 172.770 0.140 1
1 266 . 10 1 1 A 31 31 TYR CA C 31 55.303 54.693 0.610 1
1 267 . 10 1 1 A 31 31 TYR CB C 31 39.057 38.558 0.499 1
1 272 . 10 1 1 A 31 31 TYR N N 31 114.710 117.006 -2.296 1
1 273 . 10 1 1 A 32 32 PRO HA H 32 4.427 4.573 -0.146 1
1 280 . 10 1 1 A 32 32 PRO C C 32 177.257 176.286 0.971 1
1 281 . 10 1 1 A 32 32 PRO CA C 32 62.838 62.590 0.248 1
1 282 . 10 1 1 A 32 32 PRO CB C 32 32.082 32.404 -0.322 1
1 285 . 10 1 1 A 33 33 ASP H H 33 7.804 8.659 -0.855 1
1 286 . 10 1 1 A 33 33 ASP HA H 33 4.509 5.005 -0.496 1
1 289 . 10 1 1 A 33 33 ASP C C 33 176.286 177.920 -1.634 1
1 290 . 10 1 1 A 33 33 ASP CA C 33 52.894 53.259 -0.365 1
1 291 . 10 1 1 A 33 33 ASP CB C 33 41.475 42.005 -0.530 1
1 292 . 10 1 1 A 33 33 ASP N N 33 123.553 120.479 3.074 1
1 293 . 10 1 1 A 34 34 ILE H H 34 8.429 8.573 -0.144 1
1 294 . 10 1 1 A 34 34 ILE HA H 34 3.700 3.818 -0.118 1
1 304 . 10 1 1 A 34 34 ILE C C 34 175.412 177.643 -2.231 1
1 305 . 10 1 1 A 34 34 ILE CA C 34 63.602 64.233 -0.631 1
1 306 . 10 1 1 A 34 34 ILE CB C 34 37.846 37.528 0.318 1
1 310 . 10 1 1 A 34 34 ILE N N 34 117.269 125.595 -8.326 1
1 311 . 10 1 1 A 35 35 PHE H H 35 7.086 8.055 -0.969 1
1 312 . 10 1 1 A 35 35 PHE HA H 35 4.287 4.371 -0.084 1
1 320 . 10 1 1 A 35 35 PHE C C 35 179.589 178.272 1.317 1
1 321 . 10 1 1 A 35 35 PHE CA C 35 60.676 60.507 0.169 1
1 322 . 10 1 1 A 35 35 PHE CB C 35 37.731 38.988 -1.257 1
1 328 . 10 1 1 A 35 35 PHE N N 35 121.852 120.851 1.001 1
1 329 . 10 1 1 A 36 36 MET H H 36 8.559 8.270 0.289 1
1 330 . 10 1 1 A 36 36 MET HA H 36 4.216 4.007 0.209 1
1 338 . 10 1 1 A 36 36 MET C C 36 179.904 178.730 1.174 1
1 339 . 10 1 1 A 36 36 MET CA C 36 58.849 59.275 -0.426 1
1 340 . 10 1 1 A 36 36 MET CB C 36 33.757 32.618 1.139 1
1 343 . 10 1 1 A 36 36 MET N N 36 120.502 117.582 2.920 1
1 344 . 10 1 1 A 37 37 ARG H H 37 8.495 8.219 0.276 1
1 345 . 10 1 1 A 37 37 ARG HA H 37 3.839 4.086 -0.247 1
1 352 . 10 1 1 A 37 37 ARG C C 37 178.326 179.354 -1.028 1
1 353 . 10 1 1 A 37 37 ARG CA C 37 60.738 59.666 1.072 1
1 354 . 10 1 1 A 37 37 ARG CB C 37 31.601 30.026 1.575 1
1 357 . 10 1 1 A 37 37 ARG N N 37 117.379 118.973 -1.594 1
1 358 . 10 1 1 A 38 38 GLU H H 38 8.793 8.390 0.403 1
1 359 . 10 1 1 A 38 38 GLU HA H 38 4.028 4.110 -0.082 1
1 364 . 10 1 1 A 38 38 GLU C C 38 179.079 179.029 0.050 1
1 365 . 10 1 1 A 38 38 GLU CA C 38 59.682 59.217 0.465 1
1 366 . 10 1 1 A 38 38 GLU CB C 38 29.555 29.165 0.390 1
1 368 . 10 1 1 A 38 38 GLU N N 38 119.411 119.777 -0.366 1
1 369 . 10 1 1 A 39 39 GLU H H 39 7.909 8.056 -0.147 1
1 370 . 10 1 1 A 39 39 GLU HA H 39 4.090 4.115 -0.025 1
1 375 . 10 1 1 A 39 39 GLU C C 39 179.662 178.806 0.856 1
1 376 . 10 1 1 A 39 39 GLU CA C 39 59.776 59.235 0.541 1
1 377 . 10 1 1 A 39 39 GLU CB C 39 29.688 29.450 0.238 1
1 379 . 10 1 1 A 39 39 GLU N N 39 119.625 120.631 -1.006 1
1 380 . 10 1 1 A 40 40 VAL H H 40 7.732 8.058 -0.326 1
1 381 . 10 1 1 A 40 40 VAL HA H 40 3.836 3.590 0.246 1
1 389 . 10 1 1 A 40 40 VAL C C 40 176.674 178.034 -1.360 1
1 390 . 10 1 1 A 40 40 VAL CA C 40 65.856 66.650 -0.794 1
1 391 . 10 1 1 A 40 40 VAL CB C 40 31.416 31.486 -0.070 1
1 394 . 10 1 1 A 40 40 VAL N N 40 118.226 119.879 -1.653 1
1 395 . 10 1 1 A 41 41 ALA H H 41 8.405 8.412 -0.007 1
1 396 . 10 1 1 A 41 41 ALA HA H 41 3.843 4.045 -0.202 1
1 400 . 10 1 1 A 41 41 ALA C C 41 179.856 179.244 0.612 1
1 401 . 10 1 1 A 41 41 ALA CA C 41 56.009 54.630 1.379 1
1 402 . 10 1 1 A 41 41 ALA CB C 41 17.646 18.529 -0.883 1
1 403 . 10 1 1 A 41 41 ALA N N 41 124.532 121.118 3.414 1
1 404 . 10 1 1 A 42 42 LEU H H 42 7.711 7.679 0.032 1
1 405 . 10 1 1 A 42 42 LEU HA H 42 4.199 4.196 0.003 1
1 415 . 10 1 1 A 42 42 LEU C C 42 180.317 179.123 1.194 1
1 416 . 10 1 1 A 42 42 LEU CA C 42 57.484 56.511 0.973 1
1 417 . 10 1 1 A 42 42 LEU CB C 42 42.346 42.059 0.287 1
1 421 . 10 1 1 A 42 42 LEU N N 42 116.217 118.224 -2.007 1
1 422 . 10 1 1 A 43 43 LYS H H 43 7.615 8.349 -0.734 1
1 423 . 10 1 1 A 43 43 LYS HA H 43 4.133 4.095 0.038 1
1 432 . 10 1 1 A 43 43 LYS C C 43 178.933 179.250 -0.317 1
1 433 . 10 1 1 A 43 43 LYS CA C 43 59.269 59.139 0.130 1
1 434 . 10 1 1 A 43 43 LYS CB C 43 33.232 32.639 0.593 1
1 438 . 10 1 1 A 43 43 LYS N N 43 118.909 120.780 -1.871 1
1 439 . 10 1 1 A 44 44 ILE H H 44 8.057 8.030 0.027 1
1 440 . 10 1 1 A 44 44 ILE HA H 44 4.638 4.020 0.618 1
1 450 . 10 1 1 A 44 44 ILE C C 44 174.853 176.611 -1.758 1
1 451 . 10 1 1 A 44 44 ILE CA C 44 60.676 62.204 -1.528 1
1 452 . 10 1 1 A 44 44 ILE CB C 44 38.258 37.791 0.467 1
1 456 . 10 1 1 A 44 44 ILE N N 44 108.541 115.371 -6.830 1
1 457 . 10 1 1 A 45 45 ASN H H 45 7.885 8.204 -0.319 1
1 458 . 10 1 1 A 45 45 ASN HA H 45 4.400 4.335 0.065 1
1 463 . 10 1 1 A 45 45 ASN C C 45 173.857 173.842 0.015 1
1 464 . 10 1 1 A 45 45 ASN CA C 45 54.104 54.137 -0.033 1
1 465 . 10 1 1 A 45 45 ASN CB C 45 37.082 37.177 -0.095 1
1 466 . 10 1 1 A 45 45 ASN N N 45 119.396 120.399 -1.003 1
1 468 . 10 1 1 A 46 46 LEU H H 46 8.195 7.654 0.541 1
1 469 . 10 1 1 A 46 46 LEU HA H 46 4.961 4.780 0.181 1
1 479 . 10 1 1 A 46 46 LEU CA C 46 52.101 51.394 0.707 1
1 480 . 10 1 1 A 46 46 LEU CB C 46 46.563 44.947 1.616 1
1 484 . 10 1 1 A 46 46 LEU N N 46 119.142 118.730 0.412 1
1 485 . 10 1 1 A 47 47 PRO HA H 47 4.547 4.668 -0.121 1
1 492 . 10 1 1 A 47 47 PRO C C 47 178.350 177.845 0.505 1
1 493 . 10 1 1 A 47 47 PRO CA C 47 62.434 62.833 -0.399 1
1 494 . 10 1 1 A 47 47 PRO CB C 47 32.295 31.803 0.492 1
1 497 . 10 1 1 A 48 48 GLU H H 48 9.242 9.083 0.159 1
1 498 . 10 1 1 A 48 48 GLU HA H 48 3.689 4.057 -0.368 1
1 503 . 10 1 1 A 48 48 GLU C C 48 178.326 178.296 0.030 1
1 504 . 10 1 1 A 48 48 GLU CA C 48 61.058 59.679 1.379 1
1 505 . 10 1 1 A 48 48 GLU CB C 48 28.537 29.622 -1.085 1
1 507 . 10 1 1 A 48 48 GLU N N 48 125.487 125.168 0.319 1
1 508 . 10 1 1 A 49 49 SER H H 49 8.653 8.147 0.506 1
1 509 . 10 1 1 A 49 49 SER HA H 49 4.058 4.167 -0.109 1
1 512 . 10 1 1 A 49 49 SER C C 49 177.549 176.929 0.620 1
1 513 . 10 1 1 A 49 49 SER CA C 49 61.266 61.938 -0.672 1
1 514 . 10 1 1 A 49 49 SER CB C 49 61.658 62.831 -1.173 1
1 515 . 10 1 1 A 49 49 SER N N 49 113.467 117.991 -4.524 1
1 516 . 10 1 1 A 50 50 ARG H H 50 7.489 7.893 -0.404 1
1 517 . 10 1 1 A 50 50 ARG HA H 50 4.344 4.280 0.064 1
1 524 . 10 1 1 A 50 50 ARG C C 50 179.467 179.016 0.451 1
1 525 . 10 1 1 A 50 50 ARG CA C 50 57.575 59.400 -1.825 1
1 526 . 10 1 1 A 50 50 ARG CB C 50 29.523 30.240 -0.717 1
1 529 . 10 1 1 A 50 50 ARG N N 50 120.329 121.745 -1.416 1
1 530 . 10 1 1 A 51 51 VAL H H 51 7.598 7.674 -0.076 1
1 531 . 10 1 1 A 51 51 VAL HA H 51 3.733 3.624 0.109 1
1 539 . 10 1 1 A 51 51 VAL C C 51 177.767 178.078 -0.311 1
1 540 . 10 1 1 A 51 51 VAL CA C 51 67.082 66.567 0.515 1
1 541 . 10 1 1 A 51 51 VAL CB C 51 31.945 31.822 0.123 1
1 544 . 10 1 1 A 51 51 VAL N N 51 121.456 120.524 0.932 1
1 545 . 10 1 1 A 52 52 GLN H H 52 8.579 8.511 0.068 1
1 546 . 10 1 1 A 52 52 GLN HA H 52 4.338 4.167 0.171 1
1 553 . 10 1 1 A 52 52 GLN C C 52 178.836 178.653 0.183 1
1 554 . 10 1 1 A 52 52 GLN CA C 52 60.257 59.445 0.812 1
1 555 . 10 1 1 A 52 52 GLN CB C 52 28.377 28.289 0.088 1
1 557 . 10 1 1 A 52 52 GLN N N 52 119.679 119.959 -0.280 1
1 559 . 10 1 1 A 53 53 VAL H H 53 7.777 8.355 -0.578 1
1 560 . 10 1 1 A 53 53 VAL HA H 53 3.667 3.634 0.033 1
1 568 . 10 1 1 A 53 53 VAL C C 53 177.379 178.152 -0.773 1
1 569 . 10 1 1 A 53 53 VAL CA C 53 67.004 66.669 0.335 1
1 570 . 10 1 1 A 53 53 VAL CB C 53 32.237 31.752 0.485 1
1 573 . 10 1 1 A 53 53 VAL N N 53 119.215 119.208 0.007 1
1 574 . 10 1 1 A 54 54 TRP H H 54 8.177 8.533 -0.356 1
1 575 . 10 1 1 A 54 54 TRP HA H 54 4.074 4.017 0.057 1
1 584 . 10 1 1 A 54 54 TRP C C 54 179.589 178.429 1.160 1
1 585 . 10 1 1 A 54 54 TRP CA C 54 63.273 60.878 2.395 1
1 586 . 10 1 1 A 54 54 TRP CB C 54 28.458 29.547 -1.089 1
1 592 . 10 1 1 A 54 54 TRP N N 54 120.980 121.238 -0.258 1
1 594 . 10 1 1 A 55 55 PHE H H 55 8.755 7.965 0.790 1
1 595 . 10 1 1 A 55 55 PHE HA H 55 3.626 4.186 -0.560 1
1 603 . 10 1 1 A 55 55 PHE C C 55 177.937 178.363 -0.426 1
1 604 . 10 1 1 A 55 55 PHE CA C 55 64.064 61.972 2.092 1
1 605 . 10 1 1 A 55 55 PHE CB C 55 39.579 38.704 0.875 1
1 611 . 10 1 1 A 55 55 PHE N N 55 118.177 117.526 0.651 1
1 612 . 10 1 1 A 56 56 LYS H H 56 8.169 8.105 0.064 1
1 613 . 10 1 1 A 56 56 LYS HA H 56 3.914 3.882 0.032 1
1 620 . 10 1 1 A 56 56 LYS C C 56 179.929 179.324 0.605 1
1 621 . 10 1 1 A 56 56 LYS CA C 56 60.488 59.609 0.879 1
1 622 . 10 1 1 A 56 56 LYS CB C 56 32.243 32.454 -0.211 1
1 626 . 10 1 1 A 56 56 LYS N N 56 119.649 118.272 1.377 1
1 627 . 10 1 1 A 57 57 ASN H H 57 8.238 8.265 -0.027 1
1 628 . 10 1 1 A 57 57 ASN HA H 57 4.345 4.374 -0.029 1
1 633 . 10 1 1 A 57 57 ASN C C 57 177.379 177.636 -0.257 1
1 634 . 10 1 1 A 57 57 ASN CA C 57 55.515 56.188 -0.673 1
1 635 . 10 1 1 A 57 57 ASN CB C 57 37.887 38.111 -0.224 1
1 636 . 10 1 1 A 57 57 ASN N N 57 118.635 118.136 0.499 1
1 638 . 10 1 1 A 58 58 ARG H H 58 8.347 7.574 0.773 1
1 639 . 10 1 1 A 58 58 ARG HA H 58 3.419 3.564 -0.145 1
1 646 . 10 1 1 A 58 58 ARG C C 58 179.637 178.646 0.991 1
1 647 . 10 1 1 A 58 58 ARG CA C 58 56.820 59.163 -2.343 1
1 648 . 10 1 1 A 58 58 ARG CB C 58 28.359 29.291 -0.932 1
1 651 . 10 1 1 A 58 58 ARG N N 58 123.884 119.889 3.995 1
1 652 . 10 1 1 A 59 59 ARG H H 59 8.184 8.263 -0.079 1
1 653 . 10 1 1 A 59 59 ARG HA H 59 4.124 4.068 0.056 1
1 659 . 10 1 1 A 59 59 ARG C C 59 178.836 178.898 -0.062 1
1 660 . 10 1 1 A 59 59 ARG CA C 59 60.478 59.412 1.066 1
1 661 . 10 1 1 A 59 59 ARG CB C 59 31.667 30.160 1.507 1
1 664 . 10 1 1 A 59 59 ARG N N 59 117.828 118.060 -0.232 1
1 665 . 10 1 1 A 60 60 ALA H H 60 7.407 8.010 -0.603 1
1 666 . 10 1 1 A 60 60 ALA HA H 60 4.183 4.047 0.136 1
1 670 . 10 1 1 A 60 60 ALA C C 60 179.370 179.683 -0.313 1
1 671 . 10 1 1 A 60 60 ALA CA C 60 54.509 55.089 -0.580 1
1 672 . 10 1 1 A 60 60 ALA CB C 60 18.207 18.411 -0.204 1
1 673 . 10 1 1 A 60 60 ALA N N 60 121.238 121.802 -0.564 1
1 674 . 10 1 1 A 61 61 LYS H H 61 7.564 8.342 -0.778 1
1 675 . 10 1 1 A 61 61 LYS HA H 61 4.143 3.861 0.282 1
1 684 . 10 1 1 A 61 61 LYS C C 61 177.767 179.299 -1.532 1
1 685 . 10 1 1 A 61 61 LYS CA C 61 57.671 59.314 -1.643 1
1 686 . 10 1 1 A 61 61 LYS CB C 61 32.490 32.308 0.182 1
1 690 . 10 1 1 A 61 61 LYS N N 61 118.322 116.578 1.744 1
1 691 . 10 1 1 A 62 62 CYS H H 62 7.725 8.026 -0.301 1
1 692 . 10 1 1 A 62 62 CYS HA H 62 4.401 3.988 0.413 1
1 695 . 10 1 1 A 62 62 CYS C C 62 175.752 177.556 -1.804 1
1 696 . 10 1 1 A 62 62 CYS CA C 62 60.540 62.953 -2.413 1
1 697 . 10 1 1 A 62 62 CYS CB C 62 27.654 27.002 0.652 1
1 698 . 10 1 1 A 62 62 CYS N N 62 117.981 118.136 -0.155 1
1 699 . 10 1 1 A 63 63 ARG H H 63 8.044 7.660 0.384 1
1 700 . 10 1 1 A 63 63 ARG HA H 63 4.273 3.976 0.297 1
1 705 . 10 1 1 A 63 63 ARG C C 63 177.233 178.655 -1.422 1
1 706 . 10 1 1 A 63 63 ARG CA C 63 57.631 59.924 -2.293 1
1 707 . 10 1 1 A 63 63 ARG CB C 63 30.347 30.144 0.203 1
1 710 . 10 1 1 A 63 63 ARG N N 63 121.313 119.978 1.335 1
1 711 . 10 1 1 A 64 64 GLN H H 64 8.217 7.884 0.333 1
1 712 . 10 1 1 A 64 64 GLN HA H 64 4.262 4.081 0.181 1
1 718 . 10 1 1 A 64 64 GLN C C 64 176.942 177.256 -0.314 1
1 719 . 10 1 1 A 64 64 GLN CA C 64 57.172 59.050 -1.878 1
1 720 . 10 1 1 A 64 64 GLN CB C 64 29.129 28.488 0.641 1
1 722 . 10 1 1 A 64 64 GLN N N 64 120.369 119.358 1.011 1
1 724 . 10 1 1 A 71 71 ASN CB C 71 37.967 41.871 -3.904 1
1 726 . 10 1 1 A 72 72 GLY HA2 H 72 3.984 3.881 0.103 1
1 727 . 10 1 1 A 72 72 GLY HA3 H 72 3.984 3.881 0.103 1
1 728 . 10 1 1 A 72 72 GLY C C 72 174.877 173.739 1.138 1
1 729 . 10 1 1 A 72 72 GLY CA C 72 45.604 47.095 -1.491 1
1 730 . 10 1 1 A 73 73 GLY H H 73 8.288 7.723 0.565 1
1 731 . 10 1 1 A 73 73 GLY HA2 H 73 3.986 4.205 -0.219 1
1 732 . 10 1 1 A 73 73 GLY HA3 H 73 3.986 4.205 -0.219 1
1 733 . 10 1 1 A 73 73 GLY C C 73 174.319 172.643 1.676 1
1 734 . 10 1 1 A 73 73 GLY CA C 73 45.322 45.615 -0.293 1
1 735 . 10 1 1 A 73 73 GLY N N 73 108.597 105.289 3.308 1
1 736 . 10 1 1 A 74 74 GLN H H 74 8.281 8.325 -0.044 1
1 737 . 10 1 1 A 74 74 GLN HA H 74 4.413 4.300 0.113 1
1 743 . 10 1 1 A 74 74 GLN C C 74 176.262 174.928 1.334 1
1 744 . 10 1 1 A 74 74 GLN CA C 74 55.973 56.850 -0.877 1
1 745 . 10 1 1 A 74 74 GLN CB C 74 29.605 29.851 -0.246 1
1 747 . 10 1 1 A 74 74 GLN N N 74 119.866 123.730 -3.864 1
1 749 . 10 1 1 A 75 75 SER H H 75 8.432 8.565 -0.133 1
1 750 . 10 1 1 A 75 75 SER HA H 75 4.524 5.267 -0.743 1
1 753 . 10 1 1 A 75 75 SER C C 75 174.586 173.323 1.263 1
1 754 . 10 1 1 A 75 75 SER CA C 75 58.513 57.378 1.135 1
1 755 . 10 1 1 A 75 75 SER CB C 75 64.061 66.668 -2.607 1
1 756 . 10 1 1 A 75 75 SER N N 75 117.073 116.561 0.512 1
1 757 . 10 1 1 A 76 76 GLY H H 76 8.244 8.422 -0.178 1
1 758 . 10 1 1 A 76 76 GLY HA2 H 76 4.171 4.223 -0.052 1
1 759 . 10 1 1 A 76 76 GLY HA3 H 76 4.102 4.224 -0.122 1
1 760 . 10 1 1 A 76 76 GLY C C 76 171.842 174.181 -2.339 1
1 761 . 10 1 1 A 76 76 GLY CA C 76 44.617 45.170 -0.553 1
1 762 . 10 1 1 A 76 76 GLY N N 76 110.727 110.203 0.524 1
1 763 . 10 1 1 A 77 77 PRO HA H 77 4.494 4.452 0.042 1
1 770 . 10 1 1 A 77 77 PRO C C 77 177.476 176.327 1.149 1
1 771 . 10 1 1 A 77 77 PRO CA C 77 63.380 64.407 -1.027 1
1 772 . 10 1 1 A 77 77 PRO CB C 77 32.231 32.228 0.003 1
1 775 . 10 1 1 A 78 78 SER H H 78 8.526 7.930 0.596 1
1 776 . 10 1 1 A 78 78 SER HA H 78 4.514 4.800 -0.286 1
1 779 . 10 1 1 A 78 78 SER C C 78 174.756 173.555 1.201 1
1 780 . 10 1 1 A 78 78 SER CA C 78 58.513 57.536 0.977 1
1 781 . 10 1 1 A 78 78 SER CB C 78 63.896 66.252 -2.356 1
1 782 . 10 1 1 A 78 78 SER N N 78 116.438 114.994 1.444 1
1 783 . 10 1 1 A 79 79 SER H H 79 8.329 8.568 -0.239 1
1 784 . 10 1 1 A 79 79 SER HA H 79 4.502 4.794 -0.292 1
1 787 . 10 1 1 A 79 79 SER C C 79 173.954 174.597 -0.643 1
1 788 . 10 1 1 A 79 79 SER CA C 79 58.477 58.941 -0.464 1
1 789 . 10 1 1 A 79 79 SER CB C 79 64.019 64.049 -0.030 1
1 790 . 10 1 1 A 79 79 SER N N 79 117.859 119.645 -1.786 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.978 4.123 -0.145 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.978 4.123 -0.145 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.149 173.466 0.683 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.393 45.614 -0.221 1
1 5 . 11 1 1 A 8 8 ARG H H 8 8.135 8.554 -0.419 1
1 6 . 11 1 1 A 8 8 ARG C C 8 176.480 175.731 0.749 1
1 7 . 11 1 1 A 8 8 ARG CA C 8 56.589 56.280 0.309 1
1 8 . 11 1 1 A 8 8 ARG CB C 8 30.686 30.644 0.042 1
1 11 . 11 1 1 A 8 8 ARG N N 8 120.720 123.505 -2.785 1
1 12 . 11 1 1 A 9 9 ARG H H 9 8.471 8.795 -0.324 1
1 13 . 11 1 1 A 9 9 ARG HA H 9 4.288 4.766 -0.478 1
1 14 . 11 1 1 A 9 9 ARG C C 9 176.504 175.741 0.763 1
1 15 . 11 1 1 A 9 9 ARG CA C 9 56.432 55.275 1.157 1
1 16 . 11 1 1 A 9 9 ARG CB C 9 30.466 31.436 -0.970 1
1 17 . 11 1 1 A 9 9 ARG N N 9 122.487 128.741 -6.254 1
1 18 . 11 1 1 A 13 13 THR HA H 13 4.365 4.496 -0.131 1
1 23 . 11 1 1 A 13 13 THR C C 13 173.954 174.764 -0.810 1
1 24 . 11 1 1 A 13 13 THR CA C 13 61.440 62.151 -0.711 1
1 25 . 11 1 1 A 13 13 THR CB C 13 70.210 69.816 0.394 1
1 27 . 11 1 1 A 14 14 PHE H H 14 8.297 8.257 0.040 1
1 28 . 11 1 1 A 14 14 PHE HA H 14 4.941 5.315 -0.374 1
1 36 . 11 1 1 A 14 14 PHE C C 14 176.650 174.802 1.848 1
1 37 . 11 1 1 A 14 14 PHE CA C 14 57.077 56.892 0.185 1
1 38 . 11 1 1 A 14 14 PHE CB C 14 41.503 41.442 0.061 1
1 44 . 11 1 1 A 14 14 PHE N N 14 121.677 120.615 1.062 1
1 45 . 11 1 1 A 15 15 THR H H 15 9.009 8.581 0.428 1
1 46 . 11 1 1 A 15 15 THR HA H 15 4.493 4.864 -0.371 1
1 51 . 11 1 1 A 15 15 THR C C 15 175.314 175.500 -0.186 1
1 52 . 11 1 1 A 15 15 THR CA C 15 60.359 59.886 0.473 1
1 53 . 11 1 1 A 15 15 THR CB C 15 70.902 71.113 -0.211 1
1 55 . 11 1 1 A 15 15 THR N N 15 113.381 115.397 -2.016 1
1 56 . 11 1 1 A 16 16 ARG H H 16 8.882 9.098 -0.216 1
1 57 . 11 1 1 A 16 16 ARG HA H 16 3.986 3.950 0.036 1
1 64 . 11 1 1 A 16 16 ARG C C 16 177.670 178.290 -0.620 1
1 65 . 11 1 1 A 16 16 ARG CA C 16 59.042 60.188 -1.146 1
1 66 . 11 1 1 A 16 16 ARG CB C 16 30.100 30.100 0.000 1
1 69 . 11 1 1 A 16 16 ARG N N 16 122.206 127.841 -5.635 1
1 70 . 11 1 1 A 17 17 ALA H H 17 8.251 8.105 0.146 1
1 71 . 11 1 1 A 17 17 ALA HA H 17 4.159 4.085 0.074 1
1 75 . 11 1 1 A 17 17 ALA C C 17 181.386 180.461 0.925 1
1 76 . 11 1 1 A 17 17 ALA CA C 17 54.986 55.359 -0.373 1
1 77 . 11 1 1 A 17 17 ALA CB C 17 18.333 18.127 0.206 1
1 78 . 11 1 1 A 17 17 ALA N N 17 119.149 121.546 -2.397 1
1 79 . 11 1 1 A 18 18 GLN H H 18 7.533 8.279 -0.746 1
1 80 . 11 1 1 A 18 18 GLN HA H 18 3.858 4.014 -0.156 1
1 87 . 11 1 1 A 18 18 GLN C C 18 177.986 178.703 -0.717 1
1 88 . 11 1 1 A 18 18 GLN CA C 18 58.790 58.896 -0.106 1
1 89 . 11 1 1 A 18 18 GLN CB C 18 28.603 28.401 0.202 1
1 91 . 11 1 1 A 18 18 GLN N N 18 116.295 117.085 -0.790 1
1 93 . 11 1 1 A 19 19 LEU H H 19 8.417 8.446 -0.029 1
1 94 . 11 1 1 A 19 19 LEU HA H 19 3.547 3.629 -0.082 1
1 104 . 11 1 1 A 19 19 LEU C C 19 178.617 178.293 0.324 1
1 105 . 11 1 1 A 19 19 LEU CA C 19 57.745 58.120 -0.375 1
1 106 . 11 1 1 A 19 19 LEU CB C 19 41.584 41.477 0.107 1
1 110 . 11 1 1 A 19 19 LEU N N 19 118.955 120.568 -1.613 1
1 111 . 11 1 1 A 20 20 ASP H H 20 8.537 8.546 -0.009 1
1 112 . 11 1 1 A 20 20 ASP HA H 20 4.291 4.278 0.013 1
1 115 . 11 1 1 A 20 20 ASP C C 20 179.783 178.613 1.170 1
1 116 . 11 1 1 A 20 20 ASP CA C 20 57.666 57.333 0.333 1
1 117 . 11 1 1 A 20 20 ASP CB C 20 39.965 40.963 -0.998 1
1 118 . 11 1 1 A 20 20 ASP N N 20 118.356 118.133 0.223 1
1 119 . 11 1 1 A 21 21 VAL H H 21 7.006 7.835 -0.829 1
1 120 . 11 1 1 A 21 21 VAL HA H 21 3.667 3.539 0.128 1
1 128 . 11 1 1 A 21 21 VAL C C 21 178.836 177.853 0.983 1
1 129 . 11 1 1 A 21 21 VAL CA C 21 66.062 66.627 -0.565 1
1 130 . 11 1 1 A 21 21 VAL CB C 21 32.006 31.507 0.499 1
1 133 . 11 1 1 A 21 21 VAL N N 21 120.507 118.715 1.792 1
1 134 . 11 1 1 A 22 22 LEU H H 22 7.638 7.978 -0.340 1
1 135 . 11 1 1 A 22 22 LEU HA H 22 3.557 3.700 -0.143 1
1 145 . 11 1 1 A 22 22 LEU C C 22 178.277 179.200 -0.923 1
1 146 . 11 1 1 A 22 22 LEU CA C 22 58.595 58.189 0.406 1
1 147 . 11 1 1 A 22 22 LEU CB C 22 38.402 40.738 -2.336 1
1 151 . 11 1 1 A 22 22 LEU N N 22 122.874 119.104 3.770 1
1 152 . 11 1 1 A 23 23 GLU H H 23 8.880 8.321 0.559 1
1 153 . 11 1 1 A 23 23 GLU HA H 23 4.162 4.099 0.063 1
1 157 . 11 1 1 A 23 23 GLU C C 23 180.123 178.948 1.175 1
1 158 . 11 1 1 A 23 23 GLU CA C 23 59.182 59.015 0.167 1
1 159 . 11 1 1 A 23 23 GLU CB C 23 29.111 29.832 -0.721 1
1 161 . 11 1 1 A 23 23 GLU N N 23 117.314 117.638 -0.324 1
1 162 . 11 1 1 A 24 24 ALA H H 24 7.614 8.195 -0.581 1
1 163 . 11 1 1 A 24 24 ALA HA H 24 4.273 4.095 0.178 1
1 167 . 11 1 1 A 24 24 ALA C C 24 180.560 179.649 0.911 1
1 168 . 11 1 1 A 24 24 ALA CA C 24 55.023 55.102 -0.079 1
1 169 . 11 1 1 A 24 24 ALA CB C 24 17.775 18.724 -0.949 1
1 170 . 11 1 1 A 24 24 ALA N N 24 122.032 122.307 -0.275 1
1 171 . 11 1 1 A 25 25 LEU H H 25 7.673 7.966 -0.293 1
1 172 . 11 1 1 A 25 25 LEU HA H 25 4.507 4.129 0.378 1
1 182 . 11 1 1 A 25 25 LEU C C 25 177.694 178.608 -0.914 1
1 183 . 11 1 1 A 25 25 LEU CA C 25 57.913 57.761 0.152 1
1 184 . 11 1 1 A 25 25 LEU CB C 25 40.753 41.962 -1.209 1
1 188 . 11 1 1 A 25 25 LEU N N 25 120.067 119.919 0.148 1
1 189 . 11 1 1 A 26 26 PHE H H 26 8.839 8.419 0.420 1
1 190 . 11 1 1 A 26 26 PHE HA H 26 4.765 4.488 0.277 1
1 198 . 11 1 1 A 26 26 PHE C C 26 175.800 178.148 -2.348 1
1 199 . 11 1 1 A 26 26 PHE CA C 26 61.017 62.177 -1.160 1
1 200 . 11 1 1 A 26 26 PHE CB C 26 39.167 38.903 0.264 1
1 206 . 11 1 1 A 26 26 PHE N N 26 121.428 119.901 1.527 1
1 207 . 11 1 1 A 27 27 ALA H H 27 7.825 8.698 -0.873 1
1 208 . 11 1 1 A 27 27 ALA HA H 27 4.062 4.289 -0.227 1
1 212 . 11 1 1 A 27 27 ALA C C 27 179.273 179.758 -0.485 1
1 213 . 11 1 1 A 27 27 ALA CA C 27 53.975 55.250 -1.275 1
1 214 . 11 1 1 A 27 27 ALA CB C 27 18.276 18.396 -0.120 1
1 215 . 11 1 1 A 27 27 ALA N N 27 116.175 121.357 -5.182 1
1 216 . 11 1 1 A 28 28 LYS H H 28 7.618 7.474 0.144 1
1 217 . 11 1 1 A 28 28 LYS HA H 28 4.251 4.326 -0.075 1
1 225 . 11 1 1 A 28 28 LYS C C 28 177.354 176.435 0.919 1
1 226 . 11 1 1 A 28 28 LYS CA C 28 58.122 57.890 0.232 1
1 227 . 11 1 1 A 28 28 LYS CB C 28 33.315 32.772 0.543 1
1 231 . 11 1 1 A 28 28 LYS N N 28 118.586 113.581 5.005 1
1 232 . 11 1 1 A 29 29 THR H H 29 8.820 7.875 0.945 1
1 233 . 11 1 1 A 29 29 THR HA H 29 4.410 4.632 -0.222 1
1 238 . 11 1 1 A 29 29 THR C C 29 170.360 174.500 -4.140 1
1 239 . 11 1 1 A 29 29 THR CA C 29 59.749 60.765 -1.016 1
1 240 . 11 1 1 A 29 29 THR CB C 29 68.972 71.447 -2.475 1
1 242 . 11 1 1 A 29 29 THR N N 29 116.094 113.100 2.994 1
1 243 . 11 1 1 A 30 30 ARG H H 30 8.203 8.794 -0.591 1
1 244 . 11 1 1 A 30 30 ARG HA H 30 3.957 3.093 0.864 1
1 251 . 11 1 1 A 30 30 ARG C C 30 175.120 175.941 -0.821 1
1 252 . 11 1 1 A 30 30 ARG CA C 30 56.750 57.769 -1.019 1
1 253 . 11 1 1 A 30 30 ARG CB C 30 30.444 30.048 0.396 1
1 256 . 11 1 1 A 30 30 ARG N N 30 122.783 126.514 -3.731 1
1 257 . 11 1 1 A 31 31 TYR H H 31 8.002 7.842 0.160 1
1 258 . 11 1 1 A 31 31 TYR HA H 31 4.686 4.975 -0.289 1
1 265 . 11 1 1 A 31 31 TYR C C 31 172.910 172.787 0.123 1
1 266 . 11 1 1 A 31 31 TYR CA C 31 55.303 54.748 0.555 1
1 267 . 11 1 1 A 31 31 TYR CB C 31 39.057 38.545 0.512 1
1 272 . 11 1 1 A 31 31 TYR N N 31 114.710 119.127 -4.417 1
1 273 . 11 1 1 A 32 32 PRO HA H 32 4.427 4.479 -0.052 1
1 280 . 11 1 1 A 32 32 PRO C C 32 177.257 176.770 0.487 1
1 281 . 11 1 1 A 32 32 PRO CA C 32 62.838 62.972 -0.134 1
1 282 . 11 1 1 A 32 32 PRO CB C 32 32.082 31.965 0.117 1
1 285 . 11 1 1 A 33 33 ASP H H 33 7.804 8.542 -0.738 1
1 286 . 11 1 1 A 33 33 ASP HA H 33 4.509 4.665 -0.156 1
1 289 . 11 1 1 A 33 33 ASP C C 33 176.286 177.535 -1.249 1
1 290 . 11 1 1 A 33 33 ASP CA C 33 52.894 54.268 -1.374 1
1 291 . 11 1 1 A 33 33 ASP CB C 33 41.475 41.649 -0.174 1
1 292 . 11 1 1 A 33 33 ASP N N 33 123.553 121.321 2.232 1
1 293 . 11 1 1 A 34 34 ILE H H 34 8.429 8.399 0.030 1
1 294 . 11 1 1 A 34 34 ILE HA H 34 3.700 3.686 0.014 1
1 304 . 11 1 1 A 34 34 ILE C C 34 175.412 177.377 -1.965 1
1 305 . 11 1 1 A 34 34 ILE CA C 34 63.602 64.413 -0.811 1
1 306 . 11 1 1 A 34 34 ILE CB C 34 37.846 37.526 0.320 1
1 310 . 11 1 1 A 34 34 ILE N N 34 117.269 125.369 -8.100 1
1 311 . 11 1 1 A 35 35 PHE H H 35 7.086 7.922 -0.836 1
1 312 . 11 1 1 A 35 35 PHE HA H 35 4.287 4.379 -0.092 1
1 320 . 11 1 1 A 35 35 PHE C C 35 179.589 178.290 1.299 1
1 321 . 11 1 1 A 35 35 PHE CA C 35 60.676 60.559 0.117 1
1 322 . 11 1 1 A 35 35 PHE CB C 35 37.731 39.124 -1.393 1
1 328 . 11 1 1 A 35 35 PHE N N 35 121.852 120.552 1.300 1
1 329 . 11 1 1 A 36 36 MET H H 36 8.559 8.304 0.255 1
1 330 . 11 1 1 A 36 36 MET HA H 36 4.216 4.051 0.165 1
1 338 . 11 1 1 A 36 36 MET C C 36 179.904 178.539 1.365 1
1 339 . 11 1 1 A 36 36 MET CA C 36 58.849 59.199 -0.350 1
1 340 . 11 1 1 A 36 36 MET CB C 36 33.757 32.706 1.051 1
1 343 . 11 1 1 A 36 36 MET N N 36 120.502 117.730 2.772 1
1 344 . 11 1 1 A 37 37 ARG H H 37 8.495 8.035 0.460 1
1 345 . 11 1 1 A 37 37 ARG HA H 37 3.839 3.951 -0.112 1
1 352 . 11 1 1 A 37 37 ARG C C 37 178.326 179.118 -0.792 1
1 353 . 11 1 1 A 37 37 ARG CA C 37 60.738 59.522 1.216 1
1 354 . 11 1 1 A 37 37 ARG CB C 37 31.601 29.905 1.696 1
1 357 . 11 1 1 A 37 37 ARG N N 37 117.379 118.883 -1.504 1
1 358 . 11 1 1 A 38 38 GLU H H 38 8.793 8.469 0.324 1
1 359 . 11 1 1 A 38 38 GLU HA H 38 4.028 4.082 -0.054 1
1 364 . 11 1 1 A 38 38 GLU C C 38 179.079 178.708 0.371 1
1 365 . 11 1 1 A 38 38 GLU CA C 38 59.682 59.179 0.503 1
1 366 . 11 1 1 A 38 38 GLU CB C 38 29.555 29.335 0.220 1
1 368 . 11 1 1 A 38 38 GLU N N 38 119.411 119.691 -0.280 1
1 369 . 11 1 1 A 39 39 GLU H H 39 7.909 8.086 -0.177 1
1 370 . 11 1 1 A 39 39 GLU HA H 39 4.090 4.103 -0.013 1
1 375 . 11 1 1 A 39 39 GLU C C 39 179.662 178.560 1.102 1
1 376 . 11 1 1 A 39 39 GLU CA C 39 59.776 59.275 0.501 1
1 377 . 11 1 1 A 39 39 GLU CB C 39 29.688 29.453 0.235 1
1 379 . 11 1 1 A 39 39 GLU N N 39 119.625 120.784 -1.159 1
1 380 . 11 1 1 A 40 40 VAL H H 40 7.732 7.994 -0.262 1
1 381 . 11 1 1 A 40 40 VAL HA H 40 3.836 3.594 0.242 1
1 389 . 11 1 1 A 40 40 VAL C C 40 176.674 178.042 -1.368 1
1 390 . 11 1 1 A 40 40 VAL CA C 40 65.856 66.782 -0.926 1
1 391 . 11 1 1 A 40 40 VAL CB C 40 31.416 31.550 -0.134 1
1 394 . 11 1 1 A 40 40 VAL N N 40 118.226 119.699 -1.473 1
1 395 . 11 1 1 A 41 41 ALA H H 41 8.405 8.196 0.209 1
1 396 . 11 1 1 A 41 41 ALA HA H 41 3.843 4.049 -0.206 1
1 400 . 11 1 1 A 41 41 ALA C C 41 179.856 179.374 0.482 1
1 401 . 11 1 1 A 41 41 ALA CA C 41 56.009 54.630 1.379 1
1 402 . 11 1 1 A 41 41 ALA CB C 41 17.646 18.514 -0.868 1
1 403 . 11 1 1 A 41 41 ALA N N 41 124.532 121.093 3.439 1
1 404 . 11 1 1 A 42 42 LEU H H 42 7.711 7.671 0.040 1
1 405 . 11 1 1 A 42 42 LEU HA H 42 4.199 4.171 0.028 1
1 415 . 11 1 1 A 42 42 LEU C C 42 180.317 179.111 1.206 1
1 416 . 11 1 1 A 42 42 LEU CA C 42 57.484 56.528 0.956 1
1 417 . 11 1 1 A 42 42 LEU CB C 42 42.346 41.986 0.360 1
1 421 . 11 1 1 A 42 42 LEU N N 42 116.217 118.374 -2.157 1
1 422 . 11 1 1 A 43 43 LYS H H 43 7.615 8.260 -0.645 1
1 423 . 11 1 1 A 43 43 LYS HA H 43 4.133 4.043 0.090 1
1 432 . 11 1 1 A 43 43 LYS C C 43 178.933 179.272 -0.339 1
1 433 . 11 1 1 A 43 43 LYS CA C 43 59.269 59.385 -0.116 1
1 434 . 11 1 1 A 43 43 LYS CB C 43 33.232 32.388 0.844 1
1 438 . 11 1 1 A 43 43 LYS N N 43 118.909 120.768 -1.859 1
1 439 . 11 1 1 A 44 44 ILE H H 44 8.057 8.112 -0.055 1
1 440 . 11 1 1 A 44 44 ILE HA H 44 4.638 4.104 0.534 1
1 450 . 11 1 1 A 44 44 ILE C C 44 174.853 175.559 -0.706 1
1 451 . 11 1 1 A 44 44 ILE CA C 44 60.676 61.304 -0.628 1
1 452 . 11 1 1 A 44 44 ILE CB C 44 38.258 37.495 0.763 1
1 456 . 11 1 1 A 44 44 ILE N N 44 108.541 113.913 -5.372 1
1 457 . 11 1 1 A 45 45 ASN H H 45 7.885 7.996 -0.111 1
1 458 . 11 1 1 A 45 45 ASN HA H 45 4.400 4.327 0.073 1
1 463 . 11 1 1 A 45 45 ASN C C 45 173.857 173.750 0.107 1
1 464 . 11 1 1 A 45 45 ASN CA C 45 54.104 54.438 -0.334 1
1 465 . 11 1 1 A 45 45 ASN CB C 45 37.082 36.639 0.443 1
1 466 . 11 1 1 A 45 45 ASN N N 45 119.396 117.034 2.362 1
1 468 . 11 1 1 A 46 46 LEU H H 46 8.195 7.983 0.212 1
1 469 . 11 1 1 A 46 46 LEU HA H 46 4.961 4.792 0.169 1
1 479 . 11 1 1 A 46 46 LEU CA C 46 52.101 51.455 0.646 1
1 480 . 11 1 1 A 46 46 LEU CB C 46 46.563 45.080 1.483 1
1 484 . 11 1 1 A 46 46 LEU N N 46 119.142 119.042 0.100 1
1 485 . 11 1 1 A 47 47 PRO HA H 47 4.547 4.674 -0.127 1
1 492 . 11 1 1 A 47 47 PRO C C 47 178.350 177.840 0.510 1
1 493 . 11 1 1 A 47 47 PRO CA C 47 62.434 62.840 -0.406 1
1 494 . 11 1 1 A 47 47 PRO CB C 47 32.295 31.714 0.581 1
1 497 . 11 1 1 A 48 48 GLU H H 48 9.242 9.062 0.180 1
1 498 . 11 1 1 A 48 48 GLU HA H 48 3.689 4.004 -0.315 1
1 503 . 11 1 1 A 48 48 GLU C C 48 178.326 178.226 0.100 1
1 504 . 11 1 1 A 48 48 GLU CA C 48 61.058 59.581 1.477 1
1 505 . 11 1 1 A 48 48 GLU CB C 48 28.537 29.516 -0.979 1
1 507 . 11 1 1 A 48 48 GLU N N 48 125.487 125.190 0.297 1
1 508 . 11 1 1 A 49 49 SER H H 49 8.653 7.861 0.792 1
1 509 . 11 1 1 A 49 49 SER HA H 49 4.058 4.192 -0.134 1
1 512 . 11 1 1 A 49 49 SER C C 49 177.549 177.544 0.005 1
1 513 . 11 1 1 A 49 49 SER CA C 49 61.266 61.630 -0.364 1
1 514 . 11 1 1 A 49 49 SER CB C 49 61.658 62.981 -1.323 1
1 515 . 11 1 1 A 49 49 SER N N 49 113.467 114.482 -1.015 1
1 516 . 11 1 1 A 50 50 ARG H H 50 7.489 7.954 -0.465 1
1 517 . 11 1 1 A 50 50 ARG HA H 50 4.344 4.277 0.067 1
1 524 . 11 1 1 A 50 50 ARG C C 50 179.467 179.138 0.329 1
1 525 . 11 1 1 A 50 50 ARG CA C 50 57.575 59.335 -1.760 1
1 526 . 11 1 1 A 50 50 ARG CB C 50 29.523 29.934 -0.411 1
1 529 . 11 1 1 A 50 50 ARG N N 50 120.329 121.675 -1.346 1
1 530 . 11 1 1 A 51 51 VAL H H 51 7.598 7.732 -0.134 1
1 531 . 11 1 1 A 51 51 VAL HA H 51 3.733 3.735 -0.002 1
1 539 . 11 1 1 A 51 51 VAL C C 51 177.767 178.096 -0.329 1
1 540 . 11 1 1 A 51 51 VAL CA C 51 67.082 66.849 0.233 1
1 541 . 11 1 1 A 51 51 VAL CB C 51 31.945 31.620 0.325 1
1 544 . 11 1 1 A 51 51 VAL N N 51 121.456 120.496 0.960 1
1 545 . 11 1 1 A 52 52 GLN H H 52 8.579 8.087 0.492 1
1 546 . 11 1 1 A 52 52 GLN HA H 52 4.338 4.032 0.306 1
1 553 . 11 1 1 A 52 52 GLN C C 52 178.836 178.370 0.466 1
1 554 . 11 1 1 A 52 52 GLN CA C 52 60.257 59.405 0.852 1
1 555 . 11 1 1 A 52 52 GLN CB C 52 28.377 28.376 0.001 1
1 557 . 11 1 1 A 52 52 GLN N N 52 119.679 119.488 0.191 1
1 559 . 11 1 1 A 53 53 VAL H H 53 7.777 8.297 -0.520 1
1 560 . 11 1 1 A 53 53 VAL HA H 53 3.667 3.711 -0.044 1
1 568 . 11 1 1 A 53 53 VAL C C 53 177.379 178.216 -0.837 1
1 569 . 11 1 1 A 53 53 VAL CA C 53 67.004 66.838 0.166 1
1 570 . 11 1 1 A 53 53 VAL CB C 53 32.237 31.625 0.612 1
1 573 . 11 1 1 A 53 53 VAL N N 53 119.215 119.239 -0.024 1
1 574 . 11 1 1 A 54 54 TRP H H 54 8.177 8.409 -0.232 1
1 575 . 11 1 1 A 54 54 TRP HA H 54 4.074 4.121 -0.047 1
1 584 . 11 1 1 A 54 54 TRP C C 54 179.589 178.504 1.085 1
1 585 . 11 1 1 A 54 54 TRP CA C 54 63.273 61.081 2.192 1
1 586 . 11 1 1 A 54 54 TRP CB C 54 28.458 29.649 -1.191 1
1 592 . 11 1 1 A 54 54 TRP N N 54 120.980 121.423 -0.443 1
1 594 . 11 1 1 A 55 55 PHE H H 55 8.755 8.296 0.459 1
1 595 . 11 1 1 A 55 55 PHE HA H 55 3.626 4.421 -0.795 1
1 603 . 11 1 1 A 55 55 PHE C C 55 177.937 178.416 -0.479 1
1 604 . 11 1 1 A 55 55 PHE CA C 55 64.064 61.830 2.234 1
1 605 . 11 1 1 A 55 55 PHE CB C 55 39.579 38.677 0.902 1
1 611 . 11 1 1 A 55 55 PHE N N 55 118.177 118.218 -0.041 1
1 612 . 11 1 1 A 56 56 LYS H H 56 8.169 8.358 -0.189 1
1 613 . 11 1 1 A 56 56 LYS HA H 56 3.914 3.919 -0.005 1
1 620 . 11 1 1 A 56 56 LYS C C 56 179.929 179.462 0.467 1
1 621 . 11 1 1 A 56 56 LYS CA C 56 60.488 59.716 0.772 1
1 622 . 11 1 1 A 56 56 LYS CB C 56 32.243 32.411 -0.168 1
1 626 . 11 1 1 A 56 56 LYS N N 56 119.649 118.031 1.618 1
1 627 . 11 1 1 A 57 57 ASN H H 57 8.238 8.180 0.058 1
1 628 . 11 1 1 A 57 57 ASN HA H 57 4.345 4.350 -0.005 1
1 633 . 11 1 1 A 57 57 ASN C C 57 177.379 178.074 -0.695 1
1 634 . 11 1 1 A 57 57 ASN CA C 57 55.515 56.340 -0.825 1
1 635 . 11 1 1 A 57 57 ASN CB C 57 37.887 38.068 -0.181 1
1 636 . 11 1 1 A 57 57 ASN N N 57 118.635 118.246 0.389 1
1 638 . 11 1 1 A 58 58 ARG H H 58 8.347 7.529 0.818 1
1 639 . 11 1 1 A 58 58 ARG HA H 58 3.419 3.592 -0.173 1
1 646 . 11 1 1 A 58 58 ARG C C 58 179.637 178.918 0.719 1
1 647 . 11 1 1 A 58 58 ARG CA C 58 56.820 59.669 -2.849 1
1 648 . 11 1 1 A 58 58 ARG CB C 58 28.359 29.452 -1.093 1
1 651 . 11 1 1 A 58 58 ARG N N 58 123.884 118.697 5.187 1
1 652 . 11 1 1 A 59 59 ARG H H 59 8.184 8.305 -0.121 1
1 653 . 11 1 1 A 59 59 ARG HA H 59 4.124 4.159 -0.035 1
1 659 . 11 1 1 A 59 59 ARG C C 59 178.836 178.438 0.398 1
1 660 . 11 1 1 A 59 59 ARG CA C 59 60.478 59.166 1.312 1
1 661 . 11 1 1 A 59 59 ARG CB C 59 31.667 30.270 1.397 1
1 664 . 11 1 1 A 59 59 ARG N N 59 117.828 119.461 -1.633 1
1 665 . 11 1 1 A 60 60 ALA H H 60 7.407 8.027 -0.620 1
1 666 . 11 1 1 A 60 60 ALA HA H 60 4.183 4.088 0.095 1
1 670 . 11 1 1 A 60 60 ALA C C 60 179.370 179.215 0.155 1
1 671 . 11 1 1 A 60 60 ALA CA C 60 54.509 55.209 -0.700 1
1 672 . 11 1 1 A 60 60 ALA CB C 60 18.207 18.491 -0.284 1
1 673 . 11 1 1 A 60 60 ALA N N 60 121.238 121.935 -0.697 1
1 674 . 11 1 1 A 61 61 LYS H H 61 7.564 7.870 -0.306 1
1 675 . 11 1 1 A 61 61 LYS HA H 61 4.143 3.886 0.257 1
1 684 . 11 1 1 A 61 61 LYS C C 61 177.767 178.711 -0.944 1
1 685 . 11 1 1 A 61 61 LYS CA C 61 57.671 59.246 -1.575 1
1 686 . 11 1 1 A 61 61 LYS CB C 61 32.490 32.258 0.232 1
1 690 . 11 1 1 A 61 61 LYS N N 61 118.322 117.726 0.596 1
1 691 . 11 1 1 A 62 62 CYS H H 62 7.725 8.464 -0.739 1
1 692 . 11 1 1 A 62 62 CYS HA H 62 4.401 4.139 0.262 1
1 695 . 11 1 1 A 62 62 CYS C C 62 175.752 177.156 -1.404 1
1 696 . 11 1 1 A 62 62 CYS CA C 62 60.540 63.245 -2.705 1
1 697 . 11 1 1 A 62 62 CYS CB C 62 27.654 27.809 -0.155 1
1 698 . 11 1 1 A 62 62 CYS N N 62 117.981 118.286 -0.305 1
1 699 . 11 1 1 A 63 63 ARG H H 63 8.044 8.096 -0.052 1
1 700 . 11 1 1 A 63 63 ARG HA H 63 4.273 3.943 0.330 1
1 705 . 11 1 1 A 63 63 ARG C C 63 177.233 178.230 -0.997 1
1 706 . 11 1 1 A 63 63 ARG CA C 63 57.631 59.683 -2.052 1
1 707 . 11 1 1 A 63 63 ARG CB C 63 30.347 29.981 0.366 1
1 710 . 11 1 1 A 63 63 ARG N N 63 121.313 121.361 -0.048 1
1 711 . 11 1 1 A 64 64 GLN H H 64 8.217 8.510 -0.293 1
1 712 . 11 1 1 A 64 64 GLN HA H 64 4.262 3.981 0.281 1
1 718 . 11 1 1 A 64 64 GLN C C 64 176.942 177.421 -0.479 1
1 719 . 11 1 1 A 64 64 GLN CA C 64 57.172 59.056 -1.884 1
1 720 . 11 1 1 A 64 64 GLN CB C 64 29.129 28.430 0.699 1
1 722 . 11 1 1 A 64 64 GLN N N 64 120.369 118.612 1.757 1
1 724 . 11 1 1 A 71 71 ASN CB C 71 37.967 39.781 -1.814 1
1 726 . 11 1 1 A 72 72 GLY HA2 H 72 3.984 4.071 -0.087 1
1 727 . 11 1 1 A 72 72 GLY HA3 H 72 3.984 4.072 -0.088 1
1 728 . 11 1 1 A 72 72 GLY C C 72 174.877 173.850 1.027 1
1 729 . 11 1 1 A 72 72 GLY CA C 72 45.604 44.592 1.012 1
1 730 . 11 1 1 A 73 73 GLY H H 73 8.288 7.955 0.333 1
1 731 . 11 1 1 A 73 73 GLY HA2 H 73 3.986 4.515 -0.529 1
1 732 . 11 1 1 A 73 73 GLY HA3 H 73 3.986 4.516 -0.530 1
1 733 . 11 1 1 A 73 73 GLY C C 73 174.319 171.936 2.383 1
1 734 . 11 1 1 A 73 73 GLY CA C 73 45.322 45.888 -0.566 1
1 735 . 11 1 1 A 73 73 GLY N N 73 108.597 111.190 -2.593 1
1 736 . 11 1 1 A 74 74 GLN H H 74 8.281 8.477 -0.196 1
1 737 . 11 1 1 A 74 74 GLN HA H 74 4.413 5.165 -0.752 1
1 743 . 11 1 1 A 74 74 GLN C C 74 176.262 174.511 1.751 1
1 744 . 11 1 1 A 74 74 GLN CA C 74 55.973 54.011 1.962 1
1 745 . 11 1 1 A 74 74 GLN CB C 74 29.605 32.865 -3.260 1
1 747 . 11 1 1 A 74 74 GLN N N 74 119.866 119.989 -0.123 1
1 749 . 11 1 1 A 75 75 SER H H 75 8.432 8.636 -0.204 1
1 750 . 11 1 1 A 75 75 SER HA H 75 4.524 5.315 -0.791 1
1 753 . 11 1 1 A 75 75 SER C C 75 174.586 173.498 1.088 1
1 754 . 11 1 1 A 75 75 SER CA C 75 58.513 57.267 1.246 1
1 755 . 11 1 1 A 75 75 SER CB C 75 64.061 66.001 -1.940 1
1 756 . 11 1 1 A 75 75 SER N N 75 117.073 116.497 0.576 1
1 757 . 11 1 1 A 76 76 GLY H H 76 8.244 8.487 -0.243 1
1 758 . 11 1 1 A 76 76 GLY HA2 H 76 4.171 4.362 -0.191 1
1 759 . 11 1 1 A 76 76 GLY HA3 H 76 4.102 4.362 -0.260 1
1 760 . 11 1 1 A 76 76 GLY C C 76 171.842 172.273 -0.431 1
1 761 . 11 1 1 A 76 76 GLY CA C 76 44.617 44.065 0.552 1
1 762 . 11 1 1 A 76 76 GLY N N 76 110.727 108.724 2.003 1
1 763 . 11 1 1 A 77 77 PRO HA H 77 4.494 4.584 -0.090 1
1 770 . 11 1 1 A 77 77 PRO C C 77 177.476 175.426 2.050 1
1 771 . 11 1 1 A 77 77 PRO CA C 77 63.380 62.396 0.984 1
1 772 . 11 1 1 A 77 77 PRO CB C 77 32.231 33.007 -0.776 1
1 775 . 11 1 1 A 78 78 SER H H 78 8.526 8.295 0.231 1
1 776 . 11 1 1 A 78 78 SER HA H 78 4.514 4.813 -0.299 1
1 779 . 11 1 1 A 78 78 SER C C 78 174.756 174.664 0.092 1
1 780 . 11 1 1 A 78 78 SER CA C 78 58.513 57.234 1.279 1
1 781 . 11 1 1 A 78 78 SER CB C 78 63.896 66.171 -2.275 1
1 782 . 11 1 1 A 78 78 SER N N 78 116.438 116.734 -0.296 1
1 783 . 11 1 1 A 79 79 SER H H 79 8.329 8.880 -0.551 1
1 784 . 11 1 1 A 79 79 SER HA H 79 4.502 4.288 0.214 1
1 787 . 11 1 1 A 79 79 SER C C 79 173.954 175.507 -1.553 1
1 788 . 11 1 1 A 79 79 SER CA C 79 58.477 61.033 -2.556 1
1 789 . 11 1 1 A 79 79 SER CB C 79 64.019 63.735 0.284 1
1 790 . 11 1 1 A 79 79 SER N N 79 117.859 117.823 0.036 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.978 4.123 -0.145 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.978 4.123 -0.145 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.149 175.222 -1.073 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.393 44.243 1.150 1
1 5 . 12 1 1 A 8 8 ARG H H 8 8.135 8.674 -0.539 1
1 6 . 12 1 1 A 8 8 ARG C C 8 176.480 175.234 1.246 1
1 7 . 12 1 1 A 8 8 ARG CA C 8 56.589 58.520 -1.931 1
1 8 . 12 1 1 A 8 8 ARG CB C 8 30.686 30.972 -0.286 1
1 11 . 12 1 1 A 8 8 ARG N N 8 120.720 118.864 1.856 1
1 12 . 12 1 1 A 9 9 ARG H H 9 8.471 7.751 0.720 1
1 13 . 12 1 1 A 9 9 ARG HA H 9 4.288 4.869 -0.581 1
1 14 . 12 1 1 A 9 9 ARG C C 9 176.504 174.216 2.288 1
1 15 . 12 1 1 A 9 9 ARG CA C 9 56.432 54.349 2.083 1
1 16 . 12 1 1 A 9 9 ARG CB C 9 30.466 33.928 -3.462 1
1 17 . 12 1 1 A 9 9 ARG N N 9 122.487 118.756 3.731 1
1 18 . 12 1 1 A 13 13 THR HA H 13 4.365 4.666 -0.301 1
1 23 . 12 1 1 A 13 13 THR C C 13 173.954 173.427 0.527 1
1 24 . 12 1 1 A 13 13 THR CA C 13 61.440 61.458 -0.018 1
1 25 . 12 1 1 A 13 13 THR CB C 13 70.210 72.466 -2.256 1
1 27 . 12 1 1 A 14 14 PHE H H 14 8.297 9.088 -0.791 1
1 28 . 12 1 1 A 14 14 PHE HA H 14 4.941 4.971 -0.030 1
1 36 . 12 1 1 A 14 14 PHE C C 14 176.650 175.846 0.804 1
1 37 . 12 1 1 A 14 14 PHE CA C 14 57.077 58.334 -1.257 1
1 38 . 12 1 1 A 14 14 PHE CB C 14 41.503 39.409 2.094 1
1 44 . 12 1 1 A 14 14 PHE N N 14 121.677 122.972 -1.295 1
1 45 . 12 1 1 A 15 15 THR H H 15 9.009 8.707 0.302 1
1 46 . 12 1 1 A 15 15 THR HA H 15 4.493 4.784 -0.291 1
1 51 . 12 1 1 A 15 15 THR C C 15 175.314 175.608 -0.294 1
1 52 . 12 1 1 A 15 15 THR CA C 15 60.359 60.462 -0.103 1
1 53 . 12 1 1 A 15 15 THR CB C 15 70.902 71.462 -0.560 1
1 55 . 12 1 1 A 15 15 THR N N 15 113.381 115.887 -2.506 1
1 56 . 12 1 1 A 16 16 ARG H H 16 8.882 9.021 -0.139 1
1 57 . 12 1 1 A 16 16 ARG HA H 16 3.986 3.986 0.000 1
1 64 . 12 1 1 A 16 16 ARG C C 16 177.670 178.027 -0.357 1
1 65 . 12 1 1 A 16 16 ARG CA C 16 59.042 60.092 -1.050 1
1 66 . 12 1 1 A 16 16 ARG CB C 16 30.100 29.968 0.132 1
1 69 . 12 1 1 A 16 16 ARG N N 16 122.206 122.705 -0.499 1
1 70 . 12 1 1 A 17 17 ALA H H 17 8.251 8.197 0.054 1
1 71 . 12 1 1 A 17 17 ALA HA H 17 4.159 4.069 0.090 1
1 75 . 12 1 1 A 17 17 ALA C C 17 181.386 179.506 1.880 1
1 76 . 12 1 1 A 17 17 ALA CA C 17 54.986 54.867 0.119 1
1 77 . 12 1 1 A 17 17 ALA CB C 17 18.333 18.269 0.064 1
1 78 . 12 1 1 A 17 17 ALA N N 17 119.149 120.645 -1.496 1
1 79 . 12 1 1 A 18 18 GLN H H 18 7.533 7.550 -0.017 1
1 80 . 12 1 1 A 18 18 GLN HA H 18 3.858 4.211 -0.353 1
1 87 . 12 1 1 A 18 18 GLN C C 18 177.986 178.847 -0.861 1
1 88 . 12 1 1 A 18 18 GLN CA C 18 58.790 58.630 0.160 1
1 89 . 12 1 1 A 18 18 GLN CB C 18 28.603 28.594 0.009 1
1 91 . 12 1 1 A 18 18 GLN N N 18 116.295 117.871 -1.576 1
1 93 . 12 1 1 A 19 19 LEU H H 19 8.417 8.354 0.063 1
1 94 . 12 1 1 A 19 19 LEU HA H 19 3.547 3.710 -0.163 1
1 104 . 12 1 1 A 19 19 LEU C C 19 178.617 178.307 0.310 1
1 105 . 12 1 1 A 19 19 LEU CA C 19 57.745 58.251 -0.506 1
1 106 . 12 1 1 A 19 19 LEU CB C 19 41.584 41.490 0.094 1
1 110 . 12 1 1 A 19 19 LEU N N 19 118.955 120.495 -1.540 1
1 111 . 12 1 1 A 20 20 ASP H H 20 8.537 8.450 0.087 1
1 112 . 12 1 1 A 20 20 ASP HA H 20 4.291 4.299 -0.008 1
1 115 . 12 1 1 A 20 20 ASP C C 20 179.783 178.374 1.409 1
1 116 . 12 1 1 A 20 20 ASP CA C 20 57.666 57.005 0.661 1
1 117 . 12 1 1 A 20 20 ASP CB C 20 39.965 40.694 -0.729 1
1 118 . 12 1 1 A 20 20 ASP N N 20 118.356 118.436 -0.080 1
1 119 . 12 1 1 A 21 21 VAL H H 21 7.006 7.628 -0.622 1
1 120 . 12 1 1 A 21 21 VAL HA H 21 3.667 3.666 0.001 1
1 128 . 12 1 1 A 21 21 VAL C C 21 178.836 177.700 1.136 1
1 129 . 12 1 1 A 21 21 VAL CA C 21 66.062 66.112 -0.050 1
1 130 . 12 1 1 A 21 21 VAL CB C 21 32.006 31.820 0.186 1
1 133 . 12 1 1 A 21 21 VAL N N 21 120.507 118.801 1.706 1
1 134 . 12 1 1 A 22 22 LEU H H 22 7.638 7.950 -0.312 1
1 135 . 12 1 1 A 22 22 LEU HA H 22 3.557 3.643 -0.086 1
1 145 . 12 1 1 A 22 22 LEU C C 22 178.277 178.857 -0.580 1
1 146 . 12 1 1 A 22 22 LEU CA C 22 58.595 58.067 0.528 1
1 147 . 12 1 1 A 22 22 LEU CB C 22 38.402 40.697 -2.295 1
1 151 . 12 1 1 A 22 22 LEU N N 22 122.874 119.069 3.805 1
1 152 . 12 1 1 A 23 23 GLU H H 23 8.880 8.221 0.659 1
1 153 . 12 1 1 A 23 23 GLU HA H 23 4.162 4.093 0.069 1
1 157 . 12 1 1 A 23 23 GLU C C 23 180.123 178.791 1.332 1
1 158 . 12 1 1 A 23 23 GLU CA C 23 59.182 59.000 0.182 1
1 159 . 12 1 1 A 23 23 GLU CB C 23 29.111 29.869 -0.758 1
1 161 . 12 1 1 A 23 23 GLU N N 23 117.314 117.522 -0.208 1
1 162 . 12 1 1 A 24 24 ALA H H 24 7.614 7.734 -0.120 1
1 163 . 12 1 1 A 24 24 ALA HA H 24 4.273 4.063 0.210 1
1 167 . 12 1 1 A 24 24 ALA C C 24 180.560 179.566 0.994 1
1 168 . 12 1 1 A 24 24 ALA CA C 24 55.023 55.072 -0.049 1
1 169 . 12 1 1 A 24 24 ALA CB C 24 17.775 18.623 -0.848 1
1 170 . 12 1 1 A 24 24 ALA N N 24 122.032 122.477 -0.445 1
1 171 . 12 1 1 A 25 25 LEU H H 25 7.673 8.044 -0.371 1
1 172 . 12 1 1 A 25 25 LEU HA H 25 4.507 4.153 0.354 1
1 182 . 12 1 1 A 25 25 LEU C C 25 177.694 178.612 -0.918 1
1 183 . 12 1 1 A 25 25 LEU CA C 25 57.913 57.352 0.561 1
1 184 . 12 1 1 A 25 25 LEU CB C 25 40.753 41.578 -0.825 1
1 188 . 12 1 1 A 25 25 LEU N N 25 120.067 119.631 0.436 1
1 189 . 12 1 1 A 26 26 PHE H H 26 8.839 8.153 0.686 1
1 190 . 12 1 1 A 26 26 PHE HA H 26 4.765 4.293 0.472 1
1 198 . 12 1 1 A 26 26 PHE C C 26 175.800 177.710 -1.910 1
1 199 . 12 1 1 A 26 26 PHE CA C 26 61.017 60.029 0.988 1
1 200 . 12 1 1 A 26 26 PHE CB C 26 39.167 39.484 -0.317 1
1 206 . 12 1 1 A 26 26 PHE N N 26 121.428 119.838 1.590 1
1 207 . 12 1 1 A 27 27 ALA H H 27 7.825 7.842 -0.017 1
1 208 . 12 1 1 A 27 27 ALA HA H 27 4.062 4.072 -0.010 1
1 212 . 12 1 1 A 27 27 ALA C C 27 179.273 179.048 0.225 1
1 213 . 12 1 1 A 27 27 ALA CA C 27 53.975 54.057 -0.082 1
1 214 . 12 1 1 A 27 27 ALA CB C 27 18.276 18.677 -0.401 1
1 215 . 12 1 1 A 27 27 ALA N N 27 116.175 121.201 -5.026 1
1 216 . 12 1 1 A 28 28 LYS H H 28 7.618 7.815 -0.197 1
1 217 . 12 1 1 A 28 28 LYS HA H 28 4.251 4.274 -0.023 1
1 225 . 12 1 1 A 28 28 LYS C C 28 177.354 176.144 1.210 1
1 226 . 12 1 1 A 28 28 LYS CA C 28 58.122 58.396 -0.274 1
1 227 . 12 1 1 A 28 28 LYS CB C 28 33.315 32.893 0.422 1
1 231 . 12 1 1 A 28 28 LYS N N 28 118.586 114.141 4.445 1
1 232 . 12 1 1 A 29 29 THR H H 29 8.820 7.777 1.043 1
1 233 . 12 1 1 A 29 29 THR HA H 29 4.410 4.721 -0.311 1
1 238 . 12 1 1 A 29 29 THR C C 29 170.360 174.335 -3.975 1
1 239 . 12 1 1 A 29 29 THR CA C 29 59.749 60.953 -1.204 1
1 240 . 12 1 1 A 29 29 THR CB C 29 68.972 70.490 -1.518 1
1 242 . 12 1 1 A 29 29 THR N N 29 116.094 112.872 3.222 1
1 243 . 12 1 1 A 30 30 ARG H H 30 8.203 8.701 -0.498 1
1 244 . 12 1 1 A 30 30 ARG HA H 30 3.957 4.400 -0.443 1
1 251 . 12 1 1 A 30 30 ARG C C 30 175.120 175.979 -0.859 1
1 252 . 12 1 1 A 30 30 ARG CA C 30 56.750 59.127 -2.377 1
1 253 . 12 1 1 A 30 30 ARG CB C 30 30.444 30.304 0.140 1
1 256 . 12 1 1 A 30 30 ARG N N 30 122.783 127.850 -5.067 1
1 257 . 12 1 1 A 31 31 TYR H H 31 8.002 8.175 -0.173 1
1 258 . 12 1 1 A 31 31 TYR HA H 31 4.686 5.163 -0.477 1
1 265 . 12 1 1 A 31 31 TYR C C 31 172.910 173.002 -0.092 1
1 266 . 12 1 1 A 31 31 TYR CA C 31 55.303 54.956 0.347 1
1 267 . 12 1 1 A 31 31 TYR CB C 31 39.057 38.575 0.482 1
1 272 . 12 1 1 A 31 31 TYR N N 31 114.710 116.827 -2.117 1
1 273 . 12 1 1 A 32 32 PRO HA H 32 4.427 4.651 -0.224 1
1 280 . 12 1 1 A 32 32 PRO C C 32 177.257 175.709 1.548 1
1 281 . 12 1 1 A 32 32 PRO CA C 32 62.838 62.468 0.370 1
1 282 . 12 1 1 A 32 32 PRO CB C 32 32.082 32.747 -0.665 1
1 285 . 12 1 1 A 33 33 ASP H H 33 7.804 8.659 -0.855 1
1 286 . 12 1 1 A 33 33 ASP HA H 33 4.509 4.836 -0.327 1
1 289 . 12 1 1 A 33 33 ASP C C 33 176.286 176.826 -0.540 1
1 290 . 12 1 1 A 33 33 ASP CA C 33 52.894 52.581 0.313 1
1 291 . 12 1 1 A 33 33 ASP CB C 33 41.475 43.001 -1.526 1
1 292 . 12 1 1 A 33 33 ASP N N 33 123.553 121.145 2.408 1
1 293 . 12 1 1 A 34 34 ILE H H 34 8.429 8.598 -0.169 1
1 294 . 12 1 1 A 34 34 ILE HA H 34 3.700 3.861 -0.161 1
1 304 . 12 1 1 A 34 34 ILE C C 34 175.412 177.682 -2.270 1
1 305 . 12 1 1 A 34 34 ILE CA C 34 63.602 64.180 -0.578 1
1 306 . 12 1 1 A 34 34 ILE CB C 34 37.846 37.678 0.168 1
1 310 . 12 1 1 A 34 34 ILE N N 34 117.269 125.076 -7.807 1
1 311 . 12 1 1 A 35 35 PHE H H 35 7.086 7.780 -0.694 1
1 312 . 12 1 1 A 35 35 PHE HA H 35 4.287 4.370 -0.083 1
1 320 . 12 1 1 A 35 35 PHE C C 35 179.589 178.190 1.399 1
1 321 . 12 1 1 A 35 35 PHE CA C 35 60.676 60.443 0.233 1
1 322 . 12 1 1 A 35 35 PHE CB C 35 37.731 38.543 -0.812 1
1 328 . 12 1 1 A 35 35 PHE N N 35 121.852 120.818 1.034 1
1 329 . 12 1 1 A 36 36 MET H H 36 8.559 8.354 0.205 1
1 330 . 12 1 1 A 36 36 MET HA H 36 4.216 4.128 0.088 1
1 338 . 12 1 1 A 36 36 MET C C 36 179.904 178.663 1.241 1
1 339 . 12 1 1 A 36 36 MET CA C 36 58.849 58.900 -0.051 1
1 340 . 12 1 1 A 36 36 MET CB C 36 33.757 32.891 0.866 1
1 343 . 12 1 1 A 36 36 MET N N 36 120.502 117.543 2.959 1
1 344 . 12 1 1 A 37 37 ARG H H 37 8.495 8.279 0.216 1
1 345 . 12 1 1 A 37 37 ARG HA H 37 3.839 3.941 -0.102 1
1 352 . 12 1 1 A 37 37 ARG C C 37 178.326 179.195 -0.869 1
1 353 . 12 1 1 A 37 37 ARG CA C 37 60.738 59.703 1.035 1
1 354 . 12 1 1 A 37 37 ARG CB C 37 31.601 29.925 1.676 1
1 357 . 12 1 1 A 37 37 ARG N N 37 117.379 118.822 -1.443 1
1 358 . 12 1 1 A 38 38 GLU H H 38 8.793 8.473 0.320 1
1 359 . 12 1 1 A 38 38 GLU HA H 38 4.028 4.075 -0.047 1
1 364 . 12 1 1 A 38 38 GLU C C 38 179.079 178.958 0.121 1
1 365 . 12 1 1 A 38 38 GLU CA C 38 59.682 59.030 0.652 1
1 366 . 12 1 1 A 38 38 GLU CB C 38 29.555 29.207 0.348 1
1 368 . 12 1 1 A 38 38 GLU N N 38 119.411 119.629 -0.218 1
1 369 . 12 1 1 A 39 39 GLU H H 39 7.909 7.909 0.000 1
1 370 . 12 1 1 A 39 39 GLU HA H 39 4.090 4.098 -0.008 1
1 375 . 12 1 1 A 39 39 GLU C C 39 179.662 178.564 1.098 1
1 376 . 12 1 1 A 39 39 GLU CA C 39 59.776 59.212 0.564 1
1 377 . 12 1 1 A 39 39 GLU CB C 39 29.688 29.452 0.236 1
1 379 . 12 1 1 A 39 39 GLU N N 39 119.625 120.462 -0.837 1
1 380 . 12 1 1 A 40 40 VAL H H 40 7.732 7.977 -0.245 1
1 381 . 12 1 1 A 40 40 VAL HA H 40 3.836 3.585 0.251 1
1 389 . 12 1 1 A 40 40 VAL C C 40 176.674 178.114 -1.440 1
1 390 . 12 1 1 A 40 40 VAL CA C 40 65.856 66.752 -0.896 1
1 391 . 12 1 1 A 40 40 VAL CB C 40 31.416 31.530 -0.114 1
1 394 . 12 1 1 A 40 40 VAL N N 40 118.226 120.071 -1.845 1
1 395 . 12 1 1 A 41 41 ALA H H 41 8.405 8.325 0.080 1
1 396 . 12 1 1 A 41 41 ALA HA H 41 3.843 4.023 -0.180 1
1 400 . 12 1 1 A 41 41 ALA C C 41 179.856 178.810 1.046 1
1 401 . 12 1 1 A 41 41 ALA CA C 41 56.009 54.463 1.546 1
1 402 . 12 1 1 A 41 41 ALA CB C 41 17.646 18.566 -0.920 1
1 403 . 12 1 1 A 41 41 ALA N N 41 124.532 121.058 3.474 1
1 404 . 12 1 1 A 42 42 LEU H H 42 7.711 7.633 0.078 1
1 405 . 12 1 1 A 42 42 LEU HA H 42 4.199 4.231 -0.032 1
1 415 . 12 1 1 A 42 42 LEU C C 42 180.317 178.956 1.361 1
1 416 . 12 1 1 A 42 42 LEU CA C 42 57.484 56.125 1.359 1
1 417 . 12 1 1 A 42 42 LEU CB C 42 42.346 42.187 0.159 1
1 421 . 12 1 1 A 42 42 LEU N N 42 116.217 117.745 -1.528 1
1 422 . 12 1 1 A 43 43 LYS H H 43 7.615 8.294 -0.679 1
1 423 . 12 1 1 A 43 43 LYS HA H 43 4.133 4.069 0.064 1
1 432 . 12 1 1 A 43 43 LYS C C 43 178.933 179.179 -0.246 1
1 433 . 12 1 1 A 43 43 LYS CA C 43 59.269 59.193 0.076 1
1 434 . 12 1 1 A 43 43 LYS CB C 43 33.232 32.499 0.733 1
1 438 . 12 1 1 A 43 43 LYS N N 43 118.909 120.820 -1.911 1
1 439 . 12 1 1 A 44 44 ILE H H 44 8.057 8.044 0.013 1
1 440 . 12 1 1 A 44 44 ILE HA H 44 4.638 4.096 0.542 1
1 450 . 12 1 1 A 44 44 ILE C C 44 174.853 175.500 -0.647 1
1 451 . 12 1 1 A 44 44 ILE CA C 44 60.676 61.343 -0.667 1
1 452 . 12 1 1 A 44 44 ILE CB C 44 38.258 37.468 0.790 1
1 456 . 12 1 1 A 44 44 ILE N N 44 108.541 114.057 -5.516 1
1 457 . 12 1 1 A 45 45 ASN H H 45 7.885 7.988 -0.103 1
1 458 . 12 1 1 A 45 45 ASN HA H 45 4.400 4.285 0.115 1
1 463 . 12 1 1 A 45 45 ASN C C 45 173.857 173.758 0.099 1
1 464 . 12 1 1 A 45 45 ASN CA C 45 54.104 54.442 -0.338 1
1 465 . 12 1 1 A 45 45 ASN CB C 45 37.082 36.598 0.484 1
1 466 . 12 1 1 A 45 45 ASN N N 45 119.396 117.144 2.252 1
1 468 . 12 1 1 A 46 46 LEU H H 46 8.195 7.735 0.460 1
1 469 . 12 1 1 A 46 46 LEU HA H 46 4.961 4.785 0.176 1
1 479 . 12 1 1 A 46 46 LEU CA C 46 52.101 51.453 0.648 1
1 480 . 12 1 1 A 46 46 LEU CB C 46 46.563 45.162 1.401 1
1 484 . 12 1 1 A 46 46 LEU N N 46 119.142 118.991 0.151 1
1 485 . 12 1 1 A 47 47 PRO HA H 47 4.547 4.675 -0.128 1
1 492 . 12 1 1 A 47 47 PRO C C 47 178.350 177.833 0.517 1
1 493 . 12 1 1 A 47 47 PRO CA C 47 62.434 62.818 -0.384 1
1 494 . 12 1 1 A 47 47 PRO CB C 47 32.295 31.905 0.390 1
1 497 . 12 1 1 A 48 48 GLU H H 48 9.242 9.058 0.184 1
1 498 . 12 1 1 A 48 48 GLU HA H 48 3.689 3.996 -0.307 1
1 503 . 12 1 1 A 48 48 GLU C C 48 178.326 178.202 0.124 1
1 504 . 12 1 1 A 48 48 GLU CA C 48 61.058 59.631 1.427 1
1 505 . 12 1 1 A 48 48 GLU CB C 48 28.537 29.451 -0.914 1
1 507 . 12 1 1 A 48 48 GLU N N 48 125.487 125.123 0.364 1
1 508 . 12 1 1 A 49 49 SER H H 49 8.653 8.173 0.480 1
1 509 . 12 1 1 A 49 49 SER HA H 49 4.058 4.122 -0.064 1
1 512 . 12 1 1 A 49 49 SER C C 49 177.549 176.870 0.679 1
1 513 . 12 1 1 A 49 49 SER CA C 49 61.266 61.911 -0.645 1
1 514 . 12 1 1 A 49 49 SER CB C 49 61.658 62.834 -1.176 1
1 515 . 12 1 1 A 49 49 SER N N 49 113.467 117.848 -4.381 1
1 516 . 12 1 1 A 50 50 ARG H H 50 7.489 7.809 -0.320 1
1 517 . 12 1 1 A 50 50 ARG HA H 50 4.344 4.254 0.090 1
1 524 . 12 1 1 A 50 50 ARG C C 50 179.467 179.074 0.393 1
1 525 . 12 1 1 A 50 50 ARG CA C 50 57.575 59.425 -1.850 1
1 526 . 12 1 1 A 50 50 ARG CB C 50 29.523 30.119 -0.596 1
1 529 . 12 1 1 A 50 50 ARG N N 50 120.329 121.629 -1.300 1
1 530 . 12 1 1 A 51 51 VAL H H 51 7.598 7.689 -0.091 1
1 531 . 12 1 1 A 51 51 VAL HA H 51 3.733 3.636 0.097 1
1 539 . 12 1 1 A 51 51 VAL C C 51 177.767 177.941 -0.174 1
1 540 . 12 1 1 A 51 51 VAL CA C 51 67.082 66.621 0.461 1
1 541 . 12 1 1 A 51 51 VAL CB C 51 31.945 31.681 0.264 1
1 544 . 12 1 1 A 51 51 VAL N N 51 121.456 120.342 1.114 1
1 545 . 12 1 1 A 52 52 GLN H H 52 8.579 8.212 0.367 1
1 546 . 12 1 1 A 52 52 GLN HA H 52 4.338 3.914 0.424 1
1 553 . 12 1 1 A 52 52 GLN C C 52 178.836 178.572 0.264 1
1 554 . 12 1 1 A 52 52 GLN CA C 52 60.257 59.253 1.004 1
1 555 . 12 1 1 A 52 52 GLN CB C 52 28.377 28.238 0.139 1
1 557 . 12 1 1 A 52 52 GLN N N 52 119.679 119.701 -0.022 1
1 559 . 12 1 1 A 53 53 VAL H H 53 7.777 8.395 -0.618 1
1 560 . 12 1 1 A 53 53 VAL HA H 53 3.667 3.619 0.048 1
1 568 . 12 1 1 A 53 53 VAL C C 53 177.379 178.160 -0.781 1
1 569 . 12 1 1 A 53 53 VAL CA C 53 67.004 66.647 0.357 1
1 570 . 12 1 1 A 53 53 VAL CB C 53 32.237 31.709 0.528 1
1 573 . 12 1 1 A 53 53 VAL N N 53 119.215 119.121 0.094 1
1 574 . 12 1 1 A 54 54 TRP H H 54 8.177 8.609 -0.432 1
1 575 . 12 1 1 A 54 54 TRP HA H 54 4.074 4.132 -0.058 1
1 584 . 12 1 1 A 54 54 TRP C C 54 179.589 177.904 1.685 1
1 585 . 12 1 1 A 54 54 TRP CA C 54 63.273 60.587 2.686 1
1 586 . 12 1 1 A 54 54 TRP CB C 54 28.458 29.814 -1.356 1
1 592 . 12 1 1 A 54 54 TRP N N 54 120.980 121.090 -0.110 1
1 594 . 12 1 1 A 55 55 PHE H H 55 8.755 7.557 1.198 1
1 595 . 12 1 1 A 55 55 PHE HA H 55 3.626 4.125 -0.499 1
1 603 . 12 1 1 A 55 55 PHE C C 55 177.937 178.651 -0.714 1
1 604 . 12 1 1 A 55 55 PHE CA C 55 64.064 60.635 3.429 1
1 605 . 12 1 1 A 55 55 PHE CB C 55 39.579 39.665 -0.086 1
1 611 . 12 1 1 A 55 55 PHE N N 55 118.177 116.669 1.508 1
1 612 . 12 1 1 A 56 56 LYS H H 56 8.169 8.122 0.047 1
1 613 . 12 1 1 A 56 56 LYS HA H 56 3.914 4.025 -0.111 1
1 620 . 12 1 1 A 56 56 LYS C C 56 179.929 178.643 1.286 1
1 621 . 12 1 1 A 56 56 LYS CA C 56 60.488 58.666 1.822 1
1 622 . 12 1 1 A 56 56 LYS CB C 56 32.243 31.936 0.307 1
1 626 . 12 1 1 A 56 56 LYS N N 56 119.649 117.815 1.834 1
1 627 . 12 1 1 A 57 57 ASN H H 57 8.238 8.174 0.064 1
1 628 . 12 1 1 A 57 57 ASN HA H 57 4.345 4.448 -0.103 1
1 633 . 12 1 1 A 57 57 ASN C C 57 177.379 177.760 -0.381 1
1 634 . 12 1 1 A 57 57 ASN CA C 57 55.515 55.671 -0.156 1
1 635 . 12 1 1 A 57 57 ASN CB C 57 37.887 38.365 -0.478 1
1 636 . 12 1 1 A 57 57 ASN N N 57 118.635 117.893 0.742 1
1 638 . 12 1 1 A 58 58 ARG H H 58 8.347 7.199 1.148 1
1 639 . 12 1 1 A 58 58 ARG HA H 58 3.419 3.760 -0.341 1
1 646 . 12 1 1 A 58 58 ARG C C 58 179.637 179.113 0.524 1
1 647 . 12 1 1 A 58 58 ARG CA C 58 56.820 59.113 -2.293 1
1 648 . 12 1 1 A 58 58 ARG CB C 58 28.359 29.360 -1.001 1
1 651 . 12 1 1 A 58 58 ARG N N 58 123.884 119.579 4.305 1
1 652 . 12 1 1 A 59 59 ARG H H 59 8.184 8.128 0.056 1
1 653 . 12 1 1 A 59 59 ARG HA H 59 4.124 4.078 0.046 1
1 659 . 12 1 1 A 59 59 ARG C C 59 178.836 178.764 0.072 1
1 660 . 12 1 1 A 59 59 ARG CA C 59 60.478 59.557 0.921 1
1 661 . 12 1 1 A 59 59 ARG CB C 59 31.667 30.093 1.574 1
1 664 . 12 1 1 A 59 59 ARG N N 59 117.828 119.422 -1.594 1
1 665 . 12 1 1 A 60 60 ALA H H 60 7.407 8.002 -0.595 1
1 666 . 12 1 1 A 60 60 ALA HA H 60 4.183 4.079 0.104 1
1 670 . 12 1 1 A 60 60 ALA C C 60 179.370 179.138 0.232 1
1 671 . 12 1 1 A 60 60 ALA CA C 60 54.509 55.188 -0.679 1
1 672 . 12 1 1 A 60 60 ALA CB C 60 18.207 18.121 0.086 1
1 673 . 12 1 1 A 60 60 ALA N N 60 121.238 121.919 -0.681 1
1 674 . 12 1 1 A 61 61 LYS H H 61 7.564 7.363 0.201 1
1 675 . 12 1 1 A 61 61 LYS HA H 61 4.143 3.987 0.156 1
1 684 . 12 1 1 A 61 61 LYS C C 61 177.767 178.586 -0.819 1
1 685 . 12 1 1 A 61 61 LYS CA C 61 57.671 59.307 -1.636 1
1 686 . 12 1 1 A 61 61 LYS CB C 61 32.490 32.239 0.251 1
1 690 . 12 1 1 A 61 61 LYS N N 61 118.322 118.075 0.247 1
1 691 . 12 1 1 A 62 62 CYS H H 62 7.725 8.178 -0.453 1
1 692 . 12 1 1 A 62 62 CYS HA H 62 4.401 4.067 0.334 1
1 695 . 12 1 1 A 62 62 CYS C C 62 175.752 176.688 -0.936 1
1 696 . 12 1 1 A 62 62 CYS CA C 62 60.540 62.524 -1.984 1
1 697 . 12 1 1 A 62 62 CYS CB C 62 27.654 26.619 1.035 1
1 698 . 12 1 1 A 62 62 CYS N N 62 117.981 119.400 -1.419 1
1 699 . 12 1 1 A 63 63 ARG H H 63 8.044 8.313 -0.269 1
1 700 . 12 1 1 A 63 63 ARG HA H 63 4.273 3.963 0.310 1
1 705 . 12 1 1 A 63 63 ARG C C 63 177.233 178.363 -1.130 1
1 706 . 12 1 1 A 63 63 ARG CA C 63 57.631 59.748 -2.117 1
1 707 . 12 1 1 A 63 63 ARG CB C 63 30.347 29.952 0.395 1
1 710 . 12 1 1 A 63 63 ARG N N 63 121.313 121.054 0.259 1
1 711 . 12 1 1 A 64 64 GLN H H 64 8.217 8.210 0.007 1
1 712 . 12 1 1 A 64 64 GLN HA H 64 4.262 4.008 0.254 1
1 718 . 12 1 1 A 64 64 GLN C C 64 176.942 177.517 -0.575 1
1 719 . 12 1 1 A 64 64 GLN CA C 64 57.172 59.085 -1.913 1
1 720 . 12 1 1 A 64 64 GLN CB C 64 29.129 28.438 0.691 1
1 722 . 12 1 1 A 64 64 GLN N N 64 120.369 119.400 0.969 1
1 724 . 12 1 1 A 71 71 ASN CB C 71 37.967 37.435 0.532 1
1 726 . 12 1 1 A 72 72 GLY HA2 H 72 3.984 4.102 -0.118 1
1 727 . 12 1 1 A 72 72 GLY HA3 H 72 3.984 4.102 -0.118 1
1 728 . 12 1 1 A 72 72 GLY C C 72 174.877 173.935 0.942 1
1 729 . 12 1 1 A 72 72 GLY CA C 72 45.604 45.602 0.002 1
1 730 . 12 1 1 A 73 73 GLY H H 73 8.288 7.988 0.300 1
1 731 . 12 1 1 A 73 73 GLY HA2 H 73 3.986 4.110 -0.124 1
1 732 . 12 1 1 A 73 73 GLY HA3 H 73 3.986 4.110 -0.124 1
1 733 . 12 1 1 A 73 73 GLY C C 73 174.319 172.330 1.989 1
1 734 . 12 1 1 A 73 73 GLY CA C 73 45.322 45.145 0.177 1
1 735 . 12 1 1 A 73 73 GLY N N 73 108.597 108.384 0.213 1
1 736 . 12 1 1 A 74 74 GLN H H 74 8.281 8.519 -0.238 1
1 737 . 12 1 1 A 74 74 GLN HA H 74 4.413 4.218 0.195 1
1 743 . 12 1 1 A 74 74 GLN C C 74 176.262 175.506 0.756 1
1 744 . 12 1 1 A 74 74 GLN CA C 74 55.973 55.571 0.402 1
1 745 . 12 1 1 A 74 74 GLN CB C 74 29.605 28.473 1.132 1
1 747 . 12 1 1 A 74 74 GLN N N 74 119.866 120.753 -0.887 1
1 749 . 12 1 1 A 75 75 SER H H 75 8.432 8.581 -0.149 1
1 750 . 12 1 1 A 75 75 SER HA H 75 4.524 4.322 0.202 1
1 753 . 12 1 1 A 75 75 SER C C 75 174.586 174.809 -0.223 1
1 754 . 12 1 1 A 75 75 SER CA C 75 58.513 60.884 -2.371 1
1 755 . 12 1 1 A 75 75 SER CB C 75 64.061 63.814 0.247 1
1 756 . 12 1 1 A 75 75 SER N N 75 117.073 121.603 -4.530 1
1 757 . 12 1 1 A 76 76 GLY H H 76 8.244 7.398 0.846 1
1 758 . 12 1 1 A 76 76 GLY HA2 H 76 4.171 4.073 0.098 1
1 759 . 12 1 1 A 76 76 GLY HA3 H 76 4.102 4.073 0.029 1
1 760 . 12 1 1 A 76 76 GLY C C 76 171.842 172.429 -0.587 1
1 761 . 12 1 1 A 76 76 GLY CA C 76 44.617 44.551 0.066 1
1 762 . 12 1 1 A 76 76 GLY N N 76 110.727 105.778 4.949 1
1 763 . 12 1 1 A 77 77 PRO HA H 77 4.494 4.551 -0.057 1
1 770 . 12 1 1 A 77 77 PRO C C 77 177.476 175.059 2.417 1
1 771 . 12 1 1 A 77 77 PRO CA C 77 63.380 62.495 0.885 1
1 772 . 12 1 1 A 77 77 PRO CB C 77 32.231 33.358 -1.127 1
1 775 . 12 1 1 A 78 78 SER H H 78 8.526 8.344 0.182 1
1 776 . 12 1 1 A 78 78 SER HA H 78 4.514 4.972 -0.458 1
1 779 . 12 1 1 A 78 78 SER C C 78 174.756 174.637 0.119 1
1 780 . 12 1 1 A 78 78 SER CA C 78 58.513 57.485 1.028 1
1 781 . 12 1 1 A 78 78 SER CB C 78 63.896 66.471 -2.575 1
1 782 . 12 1 1 A 78 78 SER N N 78 116.438 116.802 -0.364 1
1 783 . 12 1 1 A 79 79 SER H H 79 8.329 9.050 -0.721 1
1 784 . 12 1 1 A 79 79 SER HA H 79 4.502 4.413 0.089 1
1 787 . 12 1 1 A 79 79 SER C C 79 173.954 173.808 0.146 1
1 788 . 12 1 1 A 79 79 SER CA C 79 58.477 60.643 -2.166 1
1 789 . 12 1 1 A 79 79 SER CB C 79 64.019 63.360 0.659 1
1 790 . 12 1 1 A 79 79 SER N N 79 117.859 118.968 -1.109 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.978 4.045 -0.067 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.978 4.045 -0.067 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.149 173.921 0.228 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.393 44.859 0.534 1
1 5 . 13 1 1 A 8 8 ARG H H 8 8.135 8.232 -0.097 1
1 6 . 13 1 1 A 8 8 ARG C C 8 176.480 175.553 0.927 1
1 7 . 13 1 1 A 8 8 ARG CA C 8 56.589 53.980 2.609 1
1 8 . 13 1 1 A 8 8 ARG CB C 8 30.686 33.849 -3.163 1
1 11 . 13 1 1 A 8 8 ARG N N 8 120.720 120.603 0.117 1
1 12 . 13 1 1 A 9 9 ARG H H 9 8.471 8.306 0.165 1
1 13 . 13 1 1 A 9 9 ARG HA H 9 4.288 4.431 -0.143 1
1 14 . 13 1 1 A 9 9 ARG C C 9 176.504 175.557 0.947 1
1 15 . 13 1 1 A 9 9 ARG CA C 9 56.432 55.588 0.844 1
1 16 . 13 1 1 A 9 9 ARG CB C 9 30.466 31.227 -0.761 1
1 17 . 13 1 1 A 9 9 ARG N N 9 122.487 119.793 2.694 1
1 18 . 13 1 1 A 13 13 THR HA H 13 4.365 5.285 -0.920 1
1 23 . 13 1 1 A 13 13 THR C C 13 173.954 173.023 0.931 1
1 24 . 13 1 1 A 13 13 THR CA C 13 61.440 60.452 0.988 1
1 25 . 13 1 1 A 13 13 THR CB C 13 70.210 71.012 -0.802 1
1 27 . 13 1 1 A 14 14 PHE H H 14 8.297 9.215 -0.918 1
1 28 . 13 1 1 A 14 14 PHE HA H 14 4.941 5.215 -0.274 1
1 36 . 13 1 1 A 14 14 PHE C C 14 176.650 175.392 1.258 1
1 37 . 13 1 1 A 14 14 PHE CA C 14 57.077 56.179 0.898 1
1 38 . 13 1 1 A 14 14 PHE CB C 14 41.503 42.949 -1.446 1
1 44 . 13 1 1 A 14 14 PHE N N 14 121.677 122.965 -1.288 1
1 45 . 13 1 1 A 15 15 THR H H 15 9.009 9.045 -0.036 1
1 46 . 13 1 1 A 15 15 THR HA H 15 4.493 4.837 -0.344 1
1 51 . 13 1 1 A 15 15 THR C C 15 175.314 175.366 -0.052 1
1 52 . 13 1 1 A 15 15 THR CA C 15 60.359 60.012 0.347 1
1 53 . 13 1 1 A 15 15 THR CB C 15 70.902 71.622 -0.720 1
1 55 . 13 1 1 A 15 15 THR N N 15 113.381 114.507 -1.126 1
1 56 . 13 1 1 A 16 16 ARG H H 16 8.882 9.038 -0.156 1
1 57 . 13 1 1 A 16 16 ARG HA H 16 3.986 3.965 0.021 1
1 64 . 13 1 1 A 16 16 ARG C C 16 177.670 177.924 -0.254 1
1 65 . 13 1 1 A 16 16 ARG CA C 16 59.042 59.997 -0.955 1
1 66 . 13 1 1 A 16 16 ARG CB C 16 30.100 29.846 0.254 1
1 69 . 13 1 1 A 16 16 ARG N N 16 122.206 122.441 -0.235 1
1 70 . 13 1 1 A 17 17 ALA H H 17 8.251 8.116 0.135 1
1 71 . 13 1 1 A 17 17 ALA HA H 17 4.159 4.048 0.111 1
1 75 . 13 1 1 A 17 17 ALA C C 17 181.386 180.217 1.169 1
1 76 . 13 1 1 A 17 17 ALA CA C 17 54.986 55.459 -0.473 1
1 77 . 13 1 1 A 17 17 ALA CB C 17 18.333 18.419 -0.086 1
1 78 . 13 1 1 A 17 17 ALA N N 17 119.149 121.423 -2.274 1
1 79 . 13 1 1 A 18 18 GLN H H 18 7.533 7.952 -0.419 1
1 80 . 13 1 1 A 18 18 GLN HA H 18 3.858 3.939 -0.081 1
1 87 . 13 1 1 A 18 18 GLN C C 18 177.986 178.502 -0.516 1
1 88 . 13 1 1 A 18 18 GLN CA C 18 58.790 59.067 -0.277 1
1 89 . 13 1 1 A 18 18 GLN CB C 18 28.603 28.180 0.423 1
1 91 . 13 1 1 A 18 18 GLN N N 18 116.295 117.193 -0.898 1
1 93 . 13 1 1 A 19 19 LEU H H 19 8.417 8.454 -0.037 1
1 94 . 13 1 1 A 19 19 LEU HA H 19 3.547 3.625 -0.078 1
1 104 . 13 1 1 A 19 19 LEU C C 19 178.617 178.344 0.273 1
1 105 . 13 1 1 A 19 19 LEU CA C 19 57.745 57.802 -0.057 1
1 106 . 13 1 1 A 19 19 LEU CB C 19 41.584 41.660 -0.076 1
1 110 . 13 1 1 A 19 19 LEU N N 19 118.955 120.402 -1.447 1
1 111 . 13 1 1 A 20 20 ASP H H 20 8.537 8.483 0.054 1
1 112 . 13 1 1 A 20 20 ASP HA H 20 4.291 4.296 -0.005 1
1 115 . 13 1 1 A 20 20 ASP C C 20 179.783 178.361 1.422 1
1 116 . 13 1 1 A 20 20 ASP CA C 20 57.666 57.022 0.644 1
1 117 . 13 1 1 A 20 20 ASP CB C 20 39.965 40.759 -0.794 1
1 118 . 13 1 1 A 20 20 ASP N N 20 118.356 118.449 -0.093 1
1 119 . 13 1 1 A 21 21 VAL H H 21 7.006 7.362 -0.356 1
1 120 . 13 1 1 A 21 21 VAL HA H 21 3.667 3.641 0.026 1
1 128 . 13 1 1 A 21 21 VAL C C 21 178.836 177.846 0.990 1
1 129 . 13 1 1 A 21 21 VAL CA C 21 66.062 66.291 -0.229 1
1 130 . 13 1 1 A 21 21 VAL CB C 21 32.006 31.730 0.276 1
1 133 . 13 1 1 A 21 21 VAL N N 21 120.507 118.953 1.554 1
1 134 . 13 1 1 A 22 22 LEU H H 22 7.638 7.902 -0.264 1
1 135 . 13 1 1 A 22 22 LEU HA H 22 3.557 3.573 -0.016 1
1 145 . 13 1 1 A 22 22 LEU C C 22 178.277 179.338 -1.061 1
1 146 . 13 1 1 A 22 22 LEU CA C 22 58.595 57.924 0.671 1
1 147 . 13 1 1 A 22 22 LEU CB C 22 38.402 40.175 -1.773 1
1 151 . 13 1 1 A 22 22 LEU N N 22 122.874 119.482 3.392 1
1 152 . 13 1 1 A 23 23 GLU H H 23 8.880 8.340 0.540 1
1 153 . 13 1 1 A 23 23 GLU HA H 23 4.162 4.219 -0.057 1
1 157 . 13 1 1 A 23 23 GLU C C 23 180.123 179.330 0.793 1
1 158 . 13 1 1 A 23 23 GLU CA C 23 59.182 59.320 -0.138 1
1 159 . 13 1 1 A 23 23 GLU CB C 23 29.111 29.493 -0.382 1
1 161 . 13 1 1 A 23 23 GLU N N 23 117.314 118.382 -1.068 1
1 162 . 13 1 1 A 24 24 ALA H H 24 7.614 7.778 -0.164 1
1 163 . 13 1 1 A 24 24 ALA HA H 24 4.273 4.148 0.125 1
1 167 . 13 1 1 A 24 24 ALA C C 24 180.560 179.663 0.897 1
1 168 . 13 1 1 A 24 24 ALA CA C 24 55.023 54.997 0.026 1
1 169 . 13 1 1 A 24 24 ALA CB C 24 17.775 18.456 -0.681 1
1 170 . 13 1 1 A 24 24 ALA N N 24 122.032 122.510 -0.478 1
1 171 . 13 1 1 A 25 25 LEU H H 25 7.673 7.809 -0.136 1
1 172 . 13 1 1 A 25 25 LEU HA H 25 4.507 4.188 0.319 1
1 182 . 13 1 1 A 25 25 LEU C C 25 177.694 178.441 -0.747 1
1 183 . 13 1 1 A 25 25 LEU CA C 25 57.913 57.391 0.522 1
1 184 . 13 1 1 A 25 25 LEU CB C 25 40.753 41.573 -0.820 1
1 188 . 13 1 1 A 25 25 LEU N N 25 120.067 120.099 -0.032 1
1 189 . 13 1 1 A 26 26 PHE H H 26 8.839 8.184 0.655 1
1 190 . 13 1 1 A 26 26 PHE HA H 26 4.765 4.536 0.229 1
1 198 . 13 1 1 A 26 26 PHE C C 26 175.800 177.975 -2.175 1
1 199 . 13 1 1 A 26 26 PHE CA C 26 61.017 60.201 0.816 1
1 200 . 13 1 1 A 26 26 PHE CB C 26 39.167 39.636 -0.469 1
1 206 . 13 1 1 A 26 26 PHE N N 26 121.428 120.021 1.407 1
1 207 . 13 1 1 A 27 27 ALA H H 27 7.825 8.006 -0.181 1
1 208 . 13 1 1 A 27 27 ALA HA H 27 4.062 4.335 -0.273 1
1 212 . 13 1 1 A 27 27 ALA C C 27 179.273 179.510 -0.237 1
1 213 . 13 1 1 A 27 27 ALA CA C 27 53.975 54.888 -0.913 1
1 214 . 13 1 1 A 27 27 ALA CB C 27 18.276 18.675 -0.399 1
1 215 . 13 1 1 A 27 27 ALA N N 27 116.175 121.247 -5.072 1
1 216 . 13 1 1 A 28 28 LYS H H 28 7.618 7.557 0.061 1
1 217 . 13 1 1 A 28 28 LYS HA H 28 4.251 4.241 0.010 1
1 225 . 13 1 1 A 28 28 LYS C C 28 177.354 176.124 1.230 1
1 226 . 13 1 1 A 28 28 LYS CA C 28 58.122 58.817 -0.695 1
1 227 . 13 1 1 A 28 28 LYS CB C 28 33.315 32.177 1.138 1
1 231 . 13 1 1 A 28 28 LYS N N 28 118.586 114.170 4.416 1
1 232 . 13 1 1 A 29 29 THR H H 29 8.820 7.647 1.173 1
1 233 . 13 1 1 A 29 29 THR HA H 29 4.410 4.611 -0.201 1
1 238 . 13 1 1 A 29 29 THR C C 29 170.360 173.657 -3.297 1
1 239 . 13 1 1 A 29 29 THR CA C 29 59.749 60.427 -0.678 1
1 240 . 13 1 1 A 29 29 THR CB C 29 68.972 71.369 -2.397 1
1 242 . 13 1 1 A 29 29 THR N N 29 116.094 112.804 3.290 1
1 243 . 13 1 1 A 30 30 ARG H H 30 8.203 8.570 -0.367 1
1 244 . 13 1 1 A 30 30 ARG HA H 30 3.957 3.885 0.072 1
1 251 . 13 1 1 A 30 30 ARG C C 30 175.120 175.745 -0.625 1
1 252 . 13 1 1 A 30 30 ARG CA C 30 56.750 57.643 -0.893 1
1 253 . 13 1 1 A 30 30 ARG CB C 30 30.444 30.534 -0.090 1
1 256 . 13 1 1 A 30 30 ARG N N 30 122.783 126.720 -3.937 1
1 257 . 13 1 1 A 31 31 TYR H H 31 8.002 7.879 0.123 1
1 258 . 13 1 1 A 31 31 TYR HA H 31 4.686 4.907 -0.221 1
1 265 . 13 1 1 A 31 31 TYR C C 31 172.910 172.662 0.248 1
1 266 . 13 1 1 A 31 31 TYR CA C 31 55.303 54.619 0.684 1
1 267 . 13 1 1 A 31 31 TYR CB C 31 39.057 38.350 0.707 1
1 272 . 13 1 1 A 31 31 TYR N N 31 114.710 116.997 -2.287 1
1 273 . 13 1 1 A 32 32 PRO HA H 32 4.427 4.472 -0.045 1
1 280 . 13 1 1 A 32 32 PRO C C 32 177.257 176.685 0.572 1
1 281 . 13 1 1 A 32 32 PRO CA C 32 62.838 62.952 -0.114 1
1 282 . 13 1 1 A 32 32 PRO CB C 32 32.082 32.042 0.040 1
1 285 . 13 1 1 A 33 33 ASP H H 33 7.804 8.291 -0.487 1
1 286 . 13 1 1 A 33 33 ASP HA H 33 4.509 4.794 -0.285 1
1 289 . 13 1 1 A 33 33 ASP C C 33 176.286 176.199 0.087 1
1 290 . 13 1 1 A 33 33 ASP CA C 33 52.894 53.316 -0.422 1
1 291 . 13 1 1 A 33 33 ASP CB C 33 41.475 41.642 -0.167 1
1 292 . 13 1 1 A 33 33 ASP N N 33 123.553 120.215 3.338 1
1 293 . 13 1 1 A 34 34 ILE H H 34 8.429 8.628 -0.199 1
1 294 . 13 1 1 A 34 34 ILE HA H 34 3.700 3.883 -0.183 1
1 304 . 13 1 1 A 34 34 ILE C C 34 175.412 177.736 -2.324 1
1 305 . 13 1 1 A 34 34 ILE CA C 34 63.602 64.128 -0.526 1
1 306 . 13 1 1 A 34 34 ILE CB C 34 37.846 37.518 0.328 1
1 310 . 13 1 1 A 34 34 ILE N N 34 117.269 120.140 -2.871 1
1 311 . 13 1 1 A 35 35 PHE H H 35 7.086 7.958 -0.872 1
1 312 . 13 1 1 A 35 35 PHE HA H 35 4.287 4.361 -0.074 1
1 320 . 13 1 1 A 35 35 PHE C C 35 179.589 178.315 1.274 1
1 321 . 13 1 1 A 35 35 PHE CA C 35 60.676 60.454 0.222 1
1 322 . 13 1 1 A 35 35 PHE CB C 35 37.731 38.812 -1.081 1
1 328 . 13 1 1 A 35 35 PHE N N 35 121.852 121.207 0.645 1
1 329 . 13 1 1 A 36 36 MET H H 36 8.559 8.270 0.289 1
1 330 . 13 1 1 A 36 36 MET HA H 36 4.216 3.994 0.222 1
1 338 . 13 1 1 A 36 36 MET C C 36 179.904 178.711 1.193 1
1 339 . 13 1 1 A 36 36 MET CA C 36 58.849 59.262 -0.413 1
1 340 . 13 1 1 A 36 36 MET CB C 36 33.757 32.594 1.163 1
1 343 . 13 1 1 A 36 36 MET N N 36 120.502 117.531 2.971 1
1 344 . 13 1 1 A 37 37 ARG H H 37 8.495 7.986 0.509 1
1 345 . 13 1 1 A 37 37 ARG HA H 37 3.839 4.020 -0.181 1
1 352 . 13 1 1 A 37 37 ARG C C 37 178.326 179.434 -1.108 1
1 353 . 13 1 1 A 37 37 ARG CA C 37 60.738 59.775 0.963 1
1 354 . 13 1 1 A 37 37 ARG CB C 37 31.601 30.006 1.595 1
1 357 . 13 1 1 A 37 37 ARG N N 37 117.379 118.921 -1.542 1
1 358 . 13 1 1 A 38 38 GLU H H 38 8.793 8.311 0.482 1
1 359 . 13 1 1 A 38 38 GLU HA H 38 4.028 4.098 -0.070 1
1 364 . 13 1 1 A 38 38 GLU C C 38 179.079 178.923 0.156 1
1 365 . 13 1 1 A 38 38 GLU CA C 38 59.682 59.085 0.597 1
1 366 . 13 1 1 A 38 38 GLU CB C 38 29.555 29.228 0.327 1
1 368 . 13 1 1 A 38 38 GLU N N 38 119.411 119.734 -0.323 1
1 369 . 13 1 1 A 39 39 GLU H H 39 7.909 7.907 0.002 1
1 370 . 13 1 1 A 39 39 GLU HA H 39 4.090 4.119 -0.029 1
1 375 . 13 1 1 A 39 39 GLU C C 39 179.662 178.788 0.874 1
1 376 . 13 1 1 A 39 39 GLU CA C 39 59.776 59.158 0.618 1
1 377 . 13 1 1 A 39 39 GLU CB C 39 29.688 29.516 0.172 1
1 379 . 13 1 1 A 39 39 GLU N N 39 119.625 120.505 -0.880 1
1 380 . 13 1 1 A 40 40 VAL H H 40 7.732 8.062 -0.330 1
1 381 . 13 1 1 A 40 40 VAL HA H 40 3.836 3.583 0.253 1
1 389 . 13 1 1 A 40 40 VAL C C 40 176.674 178.154 -1.480 1
1 390 . 13 1 1 A 40 40 VAL CA C 40 65.856 66.688 -0.832 1
1 391 . 13 1 1 A 40 40 VAL CB C 40 31.416 31.499 -0.083 1
1 394 . 13 1 1 A 40 40 VAL N N 40 118.226 119.871 -1.645 1
1 395 . 13 1 1 A 41 41 ALA H H 41 8.405 8.566 -0.161 1
1 396 . 13 1 1 A 41 41 ALA HA H 41 3.843 4.041 -0.198 1
1 400 . 13 1 1 A 41 41 ALA C C 41 179.856 178.748 1.108 1
1 401 . 13 1 1 A 41 41 ALA CA C 41 56.009 54.455 1.554 1
1 402 . 13 1 1 A 41 41 ALA CB C 41 17.646 18.633 -0.987 1
1 403 . 13 1 1 A 41 41 ALA N N 41 124.532 121.088 3.444 1
1 404 . 13 1 1 A 42 42 LEU H H 42 7.711 7.620 0.091 1
1 405 . 13 1 1 A 42 42 LEU HA H 42 4.199 4.244 -0.045 1
1 415 . 13 1 1 A 42 42 LEU C C 42 180.317 179.039 1.278 1
1 416 . 13 1 1 A 42 42 LEU CA C 42 57.484 56.017 1.467 1
1 417 . 13 1 1 A 42 42 LEU CB C 42 42.346 42.217 0.129 1
1 421 . 13 1 1 A 42 42 LEU N N 42 116.217 117.643 -1.426 1
1 422 . 13 1 1 A 43 43 LYS H H 43 7.615 8.234 -0.619 1
1 423 . 13 1 1 A 43 43 LYS HA H 43 4.133 4.051 0.082 1
1 432 . 13 1 1 A 43 43 LYS C C 43 178.933 179.205 -0.272 1
1 433 . 13 1 1 A 43 43 LYS CA C 43 59.269 59.132 0.137 1
1 434 . 13 1 1 A 43 43 LYS CB C 43 33.232 32.512 0.720 1
1 438 . 13 1 1 A 43 43 LYS N N 43 118.909 120.829 -1.920 1
1 439 . 13 1 1 A 44 44 ILE H H 44 8.057 8.032 0.025 1
1 440 . 13 1 1 A 44 44 ILE HA H 44 4.638 4.064 0.574 1
1 450 . 13 1 1 A 44 44 ILE C C 44 174.853 176.472 -1.619 1
1 451 . 13 1 1 A 44 44 ILE CA C 44 60.676 61.492 -0.816 1
1 452 . 13 1 1 A 44 44 ILE CB C 44 38.258 37.482 0.776 1
1 456 . 13 1 1 A 44 44 ILE N N 44 108.541 114.629 -6.088 1
1 457 . 13 1 1 A 45 45 ASN H H 45 7.885 8.191 -0.306 1
1 458 . 13 1 1 A 45 45 ASN HA H 45 4.400 4.372 0.028 1
1 463 . 13 1 1 A 45 45 ASN C C 45 173.857 173.854 0.003 1
1 464 . 13 1 1 A 45 45 ASN CA C 45 54.104 54.037 0.067 1
1 465 . 13 1 1 A 45 45 ASN CB C 45 37.082 37.188 -0.106 1
1 466 . 13 1 1 A 45 45 ASN N N 45 119.396 120.355 -0.959 1
1 468 . 13 1 1 A 46 46 LEU H H 46 8.195 7.712 0.483 1
1 469 . 13 1 1 A 46 46 LEU HA H 46 4.961 4.787 0.174 1
1 479 . 13 1 1 A 46 46 LEU CA C 46 52.101 51.460 0.641 1
1 480 . 13 1 1 A 46 46 LEU CB C 46 46.563 45.198 1.365 1
1 484 . 13 1 1 A 46 46 LEU N N 46 119.142 118.565 0.577 1
1 485 . 13 1 1 A 47 47 PRO HA H 47 4.547 4.683 -0.136 1
1 492 . 13 1 1 A 47 47 PRO C C 47 178.350 177.850 0.500 1
1 493 . 13 1 1 A 47 47 PRO CA C 47 62.434 62.854 -0.420 1
1 494 . 13 1 1 A 47 47 PRO CB C 47 32.295 31.703 0.592 1
1 497 . 13 1 1 A 48 48 GLU H H 48 9.242 9.078 0.164 1
1 498 . 13 1 1 A 48 48 GLU HA H 48 3.689 4.041 -0.352 1
1 503 . 13 1 1 A 48 48 GLU C C 48 178.326 178.325 0.001 1
1 504 . 13 1 1 A 48 48 GLU CA C 48 61.058 59.662 1.396 1
1 505 . 13 1 1 A 48 48 GLU CB C 48 28.537 29.602 -1.065 1
1 507 . 13 1 1 A 48 48 GLU N N 48 125.487 125.228 0.259 1
1 508 . 13 1 1 A 49 49 SER H H 49 8.653 8.172 0.481 1
1 509 . 13 1 1 A 49 49 SER HA H 49 4.058 4.143 -0.085 1
1 512 . 13 1 1 A 49 49 SER C C 49 177.549 176.866 0.683 1
1 513 . 13 1 1 A 49 49 SER CA C 49 61.266 61.917 -0.651 1
1 514 . 13 1 1 A 49 49 SER CB C 49 61.658 62.830 -1.172 1
1 515 . 13 1 1 A 49 49 SER N N 49 113.467 117.716 -4.249 1
1 516 . 13 1 1 A 50 50 ARG H H 50 7.489 7.811 -0.322 1
1 517 . 13 1 1 A 50 50 ARG HA H 50 4.344 4.232 0.112 1
1 524 . 13 1 1 A 50 50 ARG C C 50 179.467 179.250 0.217 1
1 525 . 13 1 1 A 50 50 ARG CA C 50 57.575 59.452 -1.877 1
1 526 . 13 1 1 A 50 50 ARG CB C 50 29.523 30.027 -0.504 1
1 529 . 13 1 1 A 50 50 ARG N N 50 120.329 121.647 -1.318 1
1 530 . 13 1 1 A 51 51 VAL H H 51 7.598 8.057 -0.459 1
1 531 . 13 1 1 A 51 51 VAL HA H 51 3.733 3.729 0.004 1
1 539 . 13 1 1 A 51 51 VAL C C 51 177.767 178.106 -0.339 1
1 540 . 13 1 1 A 51 51 VAL CA C 51 67.082 67.038 0.044 1
1 541 . 13 1 1 A 51 51 VAL CB C 51 31.945 31.603 0.342 1
1 544 . 13 1 1 A 51 51 VAL N N 51 121.456 120.494 0.962 1
1 545 . 13 1 1 A 52 52 GLN H H 52 8.579 8.165 0.414 1
1 546 . 13 1 1 A 52 52 GLN HA H 52 4.338 4.027 0.311 1
1 553 . 13 1 1 A 52 52 GLN C C 52 178.836 178.290 0.546 1
1 554 . 13 1 1 A 52 52 GLN CA C 52 60.257 59.305 0.952 1
1 555 . 13 1 1 A 52 52 GLN CB C 52 28.377 28.346 0.031 1
1 557 . 13 1 1 A 52 52 GLN N N 52 119.679 119.906 -0.227 1
1 559 . 13 1 1 A 53 53 VAL H H 53 7.777 8.383 -0.606 1
1 560 . 13 1 1 A 53 53 VAL HA H 53 3.667 3.695 -0.028 1
1 568 . 13 1 1 A 53 53 VAL C C 53 177.379 178.197 -0.818 1
1 569 . 13 1 1 A 53 53 VAL CA C 53 67.004 66.853 0.151 1
1 570 . 13 1 1 A 53 53 VAL CB C 53 32.237 31.691 0.546 1
1 573 . 13 1 1 A 53 53 VAL N N 53 119.215 119.407 -0.192 1
1 574 . 13 1 1 A 54 54 TRP H H 54 8.177 8.606 -0.429 1
1 575 . 13 1 1 A 54 54 TRP HA H 54 4.074 4.100 -0.026 1
1 584 . 13 1 1 A 54 54 TRP C C 54 179.589 178.312 1.277 1
1 585 . 13 1 1 A 54 54 TRP CA C 54 63.273 61.001 2.272 1
1 586 . 13 1 1 A 54 54 TRP CB C 54 28.458 29.583 -1.125 1
1 592 . 13 1 1 A 54 54 TRP N N 54 120.980 121.292 -0.312 1
1 594 . 13 1 1 A 55 55 PHE H H 55 8.755 8.046 0.709 1
1 595 . 13 1 1 A 55 55 PHE HA H 55 3.626 4.061 -0.435 1
1 603 . 13 1 1 A 55 55 PHE C C 55 177.937 178.195 -0.258 1
1 604 . 13 1 1 A 55 55 PHE CA C 55 64.064 62.119 1.945 1
1 605 . 13 1 1 A 55 55 PHE CB C 55 39.579 38.795 0.784 1
1 611 . 13 1 1 A 55 55 PHE N N 55 118.177 118.176 0.001 1
1 612 . 13 1 1 A 56 56 LYS H H 56 8.169 8.211 -0.042 1
1 613 . 13 1 1 A 56 56 LYS HA H 56 3.914 3.882 0.032 1
1 620 . 13 1 1 A 56 56 LYS C C 56 179.929 179.081 0.848 1
1 621 . 13 1 1 A 56 56 LYS CA C 56 60.488 59.542 0.946 1
1 622 . 13 1 1 A 56 56 LYS CB C 56 32.243 32.421 -0.178 1
1 626 . 13 1 1 A 56 56 LYS N N 56 119.649 118.308 1.341 1
1 627 . 13 1 1 A 57 57 ASN H H 57 8.238 7.922 0.316 1
1 628 . 13 1 1 A 57 57 ASN HA H 57 4.345 4.407 -0.062 1
1 633 . 13 1 1 A 57 57 ASN C C 57 177.379 177.353 0.026 1
1 634 . 13 1 1 A 57 57 ASN CA C 57 55.515 55.864 -0.349 1
1 635 . 13 1 1 A 57 57 ASN CB C 57 37.887 38.192 -0.305 1
1 636 . 13 1 1 A 57 57 ASN N N 57 118.635 118.264 0.371 1
1 638 . 13 1 1 A 58 58 ARG H H 58 8.347 7.794 0.553 1
1 639 . 13 1 1 A 58 58 ARG HA H 58 3.419 3.501 -0.082 1
1 646 . 13 1 1 A 58 58 ARG C C 58 179.637 177.932 1.705 1
1 647 . 13 1 1 A 58 58 ARG CA C 58 56.820 59.045 -2.225 1
1 648 . 13 1 1 A 58 58 ARG CB C 58 28.359 29.161 -0.802 1
1 651 . 13 1 1 A 58 58 ARG N N 58 123.884 119.334 4.550 1
1 652 . 13 1 1 A 59 59 ARG H H 59 8.184 7.617 0.567 1
1 653 . 13 1 1 A 59 59 ARG HA H 59 4.124 4.074 0.050 1
1 659 . 13 1 1 A 59 59 ARG C C 59 178.836 178.497 0.339 1
1 660 . 13 1 1 A 59 59 ARG CA C 59 60.478 59.405 1.073 1
1 661 . 13 1 1 A 59 59 ARG CB C 59 31.667 30.115 1.552 1
1 664 . 13 1 1 A 59 59 ARG N N 59 117.828 118.910 -1.082 1
1 665 . 13 1 1 A 60 60 ALA H H 60 7.407 8.201 -0.794 1
1 666 . 13 1 1 A 60 60 ALA HA H 60 4.183 4.001 0.182 1
1 670 . 13 1 1 A 60 60 ALA C C 60 179.370 179.097 0.273 1
1 671 . 13 1 1 A 60 60 ALA CA C 60 54.509 55.369 -0.860 1
1 672 . 13 1 1 A 60 60 ALA CB C 60 18.207 18.255 -0.048 1
1 673 . 13 1 1 A 60 60 ALA N N 60 121.238 121.127 0.111 1
1 674 . 13 1 1 A 61 61 LYS H H 61 7.564 8.053 -0.489 1
1 675 . 13 1 1 A 61 61 LYS HA H 61 4.143 3.840 0.303 1
1 684 . 13 1 1 A 61 61 LYS C C 61 177.767 178.381 -0.614 1
1 685 . 13 1 1 A 61 61 LYS CA C 61 57.671 59.593 -1.922 1
1 686 . 13 1 1 A 61 61 LYS CB C 61 32.490 31.985 0.505 1
1 690 . 13 1 1 A 61 61 LYS N N 61 118.322 117.921 0.401 1
1 691 . 13 1 1 A 62 62 CYS H H 62 7.725 7.802 -0.077 1
1 692 . 13 1 1 A 62 62 CYS HA H 62 4.401 3.949 0.452 1
1 695 . 13 1 1 A 62 62 CYS C C 62 175.752 177.169 -1.417 1
1 696 . 13 1 1 A 62 62 CYS CA C 62 60.540 62.768 -2.228 1
1 697 . 13 1 1 A 62 62 CYS CB C 62 27.654 26.642 1.012 1
1 698 . 13 1 1 A 62 62 CYS N N 62 117.981 118.585 -0.604 1
1 699 . 13 1 1 A 63 63 ARG H H 63 8.044 7.686 0.358 1
1 700 . 13 1 1 A 63 63 ARG HA H 63 4.273 4.035 0.238 1
1 705 . 13 1 1 A 63 63 ARG C C 63 177.233 178.793 -1.560 1
1 706 . 13 1 1 A 63 63 ARG CA C 63 57.631 59.696 -2.065 1
1 707 . 13 1 1 A 63 63 ARG CB C 63 30.347 29.841 0.506 1
1 710 . 13 1 1 A 63 63 ARG N N 63 121.313 120.076 1.237 1
1 711 . 13 1 1 A 64 64 GLN H H 64 8.217 7.606 0.611 1
1 712 . 13 1 1 A 64 64 GLN HA H 64 4.262 3.969 0.293 1
1 718 . 13 1 1 A 64 64 GLN C C 64 176.942 175.505 1.437 1
1 719 . 13 1 1 A 64 64 GLN CA C 64 57.172 59.075 -1.903 1
1 720 . 13 1 1 A 64 64 GLN CB C 64 29.129 28.502 0.627 1
1 722 . 13 1 1 A 64 64 GLN N N 64 120.369 119.858 0.511 1
1 724 . 13 1 1 A 71 71 ASN CB C 71 37.967 41.895 -3.928 1
1 726 . 13 1 1 A 72 72 GLY HA2 H 72 3.984 4.164 -0.180 1
1 727 . 13 1 1 A 72 72 GLY HA3 H 72 3.984 4.165 -0.181 1
1 728 . 13 1 1 A 72 72 GLY C C 72 174.877 173.753 1.124 1
1 729 . 13 1 1 A 72 72 GLY CA C 72 45.604 44.655 0.949 1
1 730 . 13 1 1 A 73 73 GLY H H 73 8.288 8.395 -0.107 1
1 731 . 13 1 1 A 73 73 GLY HA2 H 73 3.986 4.152 -0.166 1
1 732 . 13 1 1 A 73 73 GLY HA3 H 73 3.986 4.152 -0.166 1
1 733 . 13 1 1 A 73 73 GLY C C 73 174.319 171.886 2.433 1
1 734 . 13 1 1 A 73 73 GLY CA C 73 45.322 45.507 -0.185 1
1 735 . 13 1 1 A 73 73 GLY N N 73 108.597 107.967 0.630 1
1 736 . 13 1 1 A 74 74 GLN H H 74 8.281 8.869 -0.588 1
1 737 . 13 1 1 A 74 74 GLN HA H 74 4.413 4.842 -0.429 1
1 743 . 13 1 1 A 74 74 GLN C C 74 176.262 175.314 0.948 1
1 744 . 13 1 1 A 74 74 GLN CA C 74 55.973 53.703 2.270 1
1 745 . 13 1 1 A 74 74 GLN CB C 74 29.605 33.038 -3.433 1
1 747 . 13 1 1 A 74 74 GLN N N 74 119.866 122.507 -2.641 1
1 749 . 13 1 1 A 75 75 SER H H 75 8.432 8.753 -0.321 1
1 750 . 13 1 1 A 75 75 SER HA H 75 4.524 4.406 0.118 1
1 753 . 13 1 1 A 75 75 SER C C 75 174.586 174.056 0.530 1
1 754 . 13 1 1 A 75 75 SER CA C 75 58.513 59.630 -1.117 1
1 755 . 13 1 1 A 75 75 SER CB C 75 64.061 62.772 1.289 1
1 756 . 13 1 1 A 75 75 SER N N 75 117.073 115.427 1.646 1
1 757 . 13 1 1 A 76 76 GLY H H 76 8.244 8.129 0.115 1
1 758 . 13 1 1 A 76 76 GLY HA2 H 76 4.171 4.182 -0.011 1
1 759 . 13 1 1 A 76 76 GLY HA3 H 76 4.102 4.182 -0.080 1
1 760 . 13 1 1 A 76 76 GLY C C 76 171.842 173.823 -1.981 1
1 761 . 13 1 1 A 76 76 GLY CA C 76 44.617 46.102 -1.485 1
1 762 . 13 1 1 A 76 76 GLY N N 76 110.727 111.082 -0.355 1
1 763 . 13 1 1 A 77 77 PRO HA H 77 4.494 4.471 0.023 1
1 770 . 13 1 1 A 77 77 PRO C C 77 177.476 176.583 0.893 1
1 771 . 13 1 1 A 77 77 PRO CA C 77 63.380 64.347 -0.967 1
1 772 . 13 1 1 A 77 77 PRO CB C 77 32.231 31.883 0.348 1
1 775 . 13 1 1 A 78 78 SER H H 78 8.526 7.850 0.676 1
1 776 . 13 1 1 A 78 78 SER HA H 78 4.514 4.444 0.070 1
1 779 . 13 1 1 A 78 78 SER C C 78 174.756 174.564 0.192 1
1 780 . 13 1 1 A 78 78 SER CA C 78 58.513 58.438 0.075 1
1 781 . 13 1 1 A 78 78 SER CB C 78 63.896 63.758 0.138 1
1 782 . 13 1 1 A 78 78 SER N N 78 116.438 115.074 1.364 1
1 783 . 13 1 1 A 79 79 SER H H 79 8.329 8.635 -0.306 1
1 784 . 13 1 1 A 79 79 SER HA H 79 4.502 4.436 0.066 1
1 787 . 13 1 1 A 79 79 SER C C 79 173.954 174.817 -0.863 1
1 788 . 13 1 1 A 79 79 SER CA C 79 58.477 59.978 -1.501 1
1 789 . 13 1 1 A 79 79 SER CB C 79 64.019 63.550 0.469 1
1 790 . 13 1 1 A 79 79 SER N N 79 117.859 120.716 -2.857 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.978 3.940 0.038 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.978 3.940 0.038 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.149 173.633 0.516 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.393 46.788 -1.395 1
1 5 . 14 1 1 A 8 8 ARG H H 8 8.135 7.761 0.374 1
1 6 . 14 1 1 A 8 8 ARG C C 8 176.480 174.935 1.545 1
1 7 . 14 1 1 A 8 8 ARG CA C 8 56.589 54.671 1.918 1
1 8 . 14 1 1 A 8 8 ARG CB C 8 30.686 32.875 -2.189 1
1 11 . 14 1 1 A 8 8 ARG N N 8 120.720 116.977 3.743 1
1 12 . 14 1 1 A 9 9 ARG H H 9 8.471 8.856 -0.385 1
1 13 . 14 1 1 A 9 9 ARG HA H 9 4.288 4.489 -0.201 1
1 14 . 14 1 1 A 9 9 ARG C C 9 176.504 176.295 0.209 1
1 15 . 14 1 1 A 9 9 ARG CA C 9 56.432 57.532 -1.100 1
1 16 . 14 1 1 A 9 9 ARG CB C 9 30.466 31.323 -0.857 1
1 17 . 14 1 1 A 9 9 ARG N N 9 122.487 119.848 2.639 1
1 18 . 14 1 1 A 13 13 THR HA H 13 4.365 4.187 0.178 1
1 23 . 14 1 1 A 13 13 THR C C 13 173.954 174.720 -0.766 1
1 24 . 14 1 1 A 13 13 THR CA C 13 61.440 63.848 -2.408 1
1 25 . 14 1 1 A 13 13 THR CB C 13 70.210 69.303 0.907 1
1 27 . 14 1 1 A 14 14 PHE H H 14 8.297 7.910 0.387 1
1 28 . 14 1 1 A 14 14 PHE HA H 14 4.941 5.672 -0.731 1
1 36 . 14 1 1 A 14 14 PHE C C 14 176.650 174.672 1.978 1
1 37 . 14 1 1 A 14 14 PHE CA C 14 57.077 56.610 0.467 1
1 38 . 14 1 1 A 14 14 PHE CB C 14 41.503 42.298 -0.795 1
1 44 . 14 1 1 A 14 14 PHE N N 14 121.677 116.470 5.207 1
1 45 . 14 1 1 A 15 15 THR H H 15 9.009 8.354 0.655 1
1 46 . 14 1 1 A 15 15 THR HA H 15 4.493 4.701 -0.208 1
1 51 . 14 1 1 A 15 15 THR C C 15 175.314 175.388 -0.074 1
1 52 . 14 1 1 A 15 15 THR CA C 15 60.359 60.242 0.117 1
1 53 . 14 1 1 A 15 15 THR CB C 15 70.902 70.353 0.549 1
1 55 . 14 1 1 A 15 15 THR N N 15 113.381 117.121 -3.740 1
1 56 . 14 1 1 A 16 16 ARG H H 16 8.882 9.005 -0.123 1
1 57 . 14 1 1 A 16 16 ARG HA H 16 3.986 3.968 0.018 1
1 64 . 14 1 1 A 16 16 ARG C C 16 177.670 178.016 -0.346 1
1 65 . 14 1 1 A 16 16 ARG CA C 16 59.042 60.043 -1.001 1
1 66 . 14 1 1 A 16 16 ARG CB C 16 30.100 30.100 0.000 1
1 69 . 14 1 1 A 16 16 ARG N N 16 122.206 127.018 -4.812 1
1 70 . 14 1 1 A 17 17 ALA H H 17 8.251 8.167 0.084 1
1 71 . 14 1 1 A 17 17 ALA HA H 17 4.159 4.057 0.102 1
1 75 . 14 1 1 A 17 17 ALA C C 17 181.386 179.904 1.482 1
1 76 . 14 1 1 A 17 17 ALA CA C 17 54.986 55.276 -0.290 1
1 77 . 14 1 1 A 17 17 ALA CB C 17 18.333 18.186 0.147 1
1 78 . 14 1 1 A 17 17 ALA N N 17 119.149 120.748 -1.599 1
1 79 . 14 1 1 A 18 18 GLN H H 18 7.533 8.273 -0.740 1
1 80 . 14 1 1 A 18 18 GLN HA H 18 3.858 4.004 -0.146 1
1 87 . 14 1 1 A 18 18 GLN C C 18 177.986 178.715 -0.729 1
1 88 . 14 1 1 A 18 18 GLN CA C 18 58.790 58.877 -0.087 1
1 89 . 14 1 1 A 18 18 GLN CB C 18 28.603 28.380 0.223 1
1 91 . 14 1 1 A 18 18 GLN N N 18 116.295 117.830 -1.535 1
1 93 . 14 1 1 A 19 19 LEU H H 19 8.417 8.695 -0.278 1
1 94 . 14 1 1 A 19 19 LEU HA H 19 3.547 3.731 -0.184 1
1 104 . 14 1 1 A 19 19 LEU C C 19 178.617 178.259 0.358 1
1 105 . 14 1 1 A 19 19 LEU CA C 19 57.745 57.786 -0.041 1
1 106 . 14 1 1 A 19 19 LEU CB C 19 41.584 41.265 0.319 1
1 110 . 14 1 1 A 19 19 LEU N N 19 118.955 120.118 -1.163 1
1 111 . 14 1 1 A 20 20 ASP H H 20 8.537 8.191 0.346 1
1 112 . 14 1 1 A 20 20 ASP HA H 20 4.291 4.233 0.058 1
1 115 . 14 1 1 A 20 20 ASP C C 20 179.783 178.533 1.250 1
1 116 . 14 1 1 A 20 20 ASP CA C 20 57.666 57.428 0.238 1
1 117 . 14 1 1 A 20 20 ASP CB C 20 39.965 41.562 -1.597 1
1 118 . 14 1 1 A 20 20 ASP N N 20 118.356 118.752 -0.396 1
1 119 . 14 1 1 A 21 21 VAL H H 21 7.006 7.571 -0.565 1
1 120 . 14 1 1 A 21 21 VAL HA H 21 3.667 3.491 0.176 1
1 128 . 14 1 1 A 21 21 VAL C C 21 178.836 177.862 0.974 1
1 129 . 14 1 1 A 21 21 VAL CA C 21 66.062 66.607 -0.545 1
1 130 . 14 1 1 A 21 21 VAL CB C 21 32.006 31.512 0.494 1
1 133 . 14 1 1 A 21 21 VAL N N 21 120.507 118.737 1.770 1
1 134 . 14 1 1 A 22 22 LEU H H 22 7.638 8.040 -0.402 1
1 135 . 14 1 1 A 22 22 LEU HA H 22 3.557 3.641 -0.084 1
1 145 . 14 1 1 A 22 22 LEU C C 22 178.277 179.060 -0.783 1
1 146 . 14 1 1 A 22 22 LEU CA C 22 58.595 57.865 0.730 1
1 147 . 14 1 1 A 22 22 LEU CB C 22 38.402 40.107 -1.705 1
1 151 . 14 1 1 A 22 22 LEU N N 22 122.874 119.037 3.837 1
1 152 . 14 1 1 A 23 23 GLU H H 23 8.880 8.146 0.734 1
1 153 . 14 1 1 A 23 23 GLU HA H 23 4.162 4.032 0.130 1
1 157 . 14 1 1 A 23 23 GLU C C 23 180.123 178.839 1.284 1
1 158 . 14 1 1 A 23 23 GLU CA C 23 59.182 58.873 0.309 1
1 159 . 14 1 1 A 23 23 GLU CB C 23 29.111 29.682 -0.571 1
1 161 . 14 1 1 A 23 23 GLU N N 23 117.314 117.585 -0.271 1
1 162 . 14 1 1 A 24 24 ALA H H 24 7.614 8.150 -0.536 1
1 163 . 14 1 1 A 24 24 ALA HA H 24 4.273 4.058 0.215 1
1 167 . 14 1 1 A 24 24 ALA C C 24 180.560 179.634 0.926 1
1 168 . 14 1 1 A 24 24 ALA CA C 24 55.023 54.919 0.104 1
1 169 . 14 1 1 A 24 24 ALA CB C 24 17.775 18.584 -0.809 1
1 170 . 14 1 1 A 24 24 ALA N N 24 122.032 122.538 -0.506 1
1 171 . 14 1 1 A 25 25 LEU H H 25 7.673 7.969 -0.296 1
1 172 . 14 1 1 A 25 25 LEU HA H 25 4.507 4.179 0.328 1
1 182 . 14 1 1 A 25 25 LEU C C 25 177.694 178.780 -1.086 1
1 183 . 14 1 1 A 25 25 LEU CA C 25 57.913 57.354 0.559 1
1 184 . 14 1 1 A 25 25 LEU CB C 25 40.753 41.676 -0.923 1
1 188 . 14 1 1 A 25 25 LEU N N 25 120.067 119.804 0.263 1
1 189 . 14 1 1 A 26 26 PHE H H 26 8.839 8.592 0.247 1
1 190 . 14 1 1 A 26 26 PHE HA H 26 4.765 4.334 0.431 1
1 198 . 14 1 1 A 26 26 PHE C C 26 175.800 178.040 -2.240 1
1 199 . 14 1 1 A 26 26 PHE CA C 26 61.017 60.755 0.262 1
1 200 . 14 1 1 A 26 26 PHE CB C 26 39.167 38.992 0.175 1
1 206 . 14 1 1 A 26 26 PHE N N 26 121.428 119.953 1.475 1
1 207 . 14 1 1 A 27 27 ALA H H 27 7.825 8.316 -0.491 1
1 208 . 14 1 1 A 27 27 ALA HA H 27 4.062 4.341 -0.279 1
1 212 . 14 1 1 A 27 27 ALA C C 27 179.273 179.479 -0.206 1
1 213 . 14 1 1 A 27 27 ALA CA C 27 53.975 54.963 -0.988 1
1 214 . 14 1 1 A 27 27 ALA CB C 27 18.276 18.567 -0.291 1
1 215 . 14 1 1 A 27 27 ALA N N 27 116.175 121.583 -5.408 1
1 216 . 14 1 1 A 28 28 LYS H H 28 7.618 7.498 0.120 1
1 217 . 14 1 1 A 28 28 LYS HA H 28 4.251 4.215 0.036 1
1 225 . 14 1 1 A 28 28 LYS C C 28 177.354 176.296 1.058 1
1 226 . 14 1 1 A 28 28 LYS CA C 28 58.122 58.799 -0.677 1
1 227 . 14 1 1 A 28 28 LYS CB C 28 33.315 32.520 0.795 1
1 231 . 14 1 1 A 28 28 LYS N N 28 118.586 114.290 4.296 1
1 232 . 14 1 1 A 29 29 THR H H 29 8.820 7.848 0.972 1
1 233 . 14 1 1 A 29 29 THR HA H 29 4.410 4.628 -0.218 1
1 238 . 14 1 1 A 29 29 THR C C 29 170.360 174.272 -3.912 1
1 239 . 14 1 1 A 29 29 THR CA C 29 59.749 61.163 -1.414 1
1 240 . 14 1 1 A 29 29 THR CB C 29 68.972 70.422 -1.450 1
1 242 . 14 1 1 A 29 29 THR N N 29 116.094 113.078 3.016 1
1 243 . 14 1 1 A 30 30 ARG H H 30 8.203 8.497 -0.294 1
1 244 . 14 1 1 A 30 30 ARG HA H 30 3.957 3.414 0.543 1
1 251 . 14 1 1 A 30 30 ARG C C 30 175.120 175.508 -0.388 1
1 252 . 14 1 1 A 30 30 ARG CA C 30 56.750 58.810 -2.060 1
1 253 . 14 1 1 A 30 30 ARG CB C 30 30.444 29.751 0.693 1
1 256 . 14 1 1 A 30 30 ARG N N 30 122.783 127.546 -4.763 1
1 257 . 14 1 1 A 31 31 TYR H H 31 8.002 7.787 0.215 1
1 258 . 14 1 1 A 31 31 TYR HA H 31 4.686 5.019 -0.333 1
1 265 . 14 1 1 A 31 31 TYR C C 31 172.910 172.861 0.049 1
1 266 . 14 1 1 A 31 31 TYR CA C 31 55.303 54.827 0.476 1
1 267 . 14 1 1 A 31 31 TYR CB C 31 39.057 38.619 0.438 1
1 272 . 14 1 1 A 31 31 TYR N N 31 114.710 116.818 -2.108 1
1 273 . 14 1 1 A 32 32 PRO HA H 32 4.427 4.557 -0.130 1
1 280 . 14 1 1 A 32 32 PRO C C 32 177.257 176.700 0.557 1
1 281 . 14 1 1 A 32 32 PRO CA C 32 62.838 63.106 -0.268 1
1 282 . 14 1 1 A 32 32 PRO CB C 32 32.082 31.973 0.109 1
1 285 . 14 1 1 A 33 33 ASP H H 33 7.804 8.649 -0.845 1
1 286 . 14 1 1 A 33 33 ASP HA H 33 4.509 4.980 -0.471 1
1 289 . 14 1 1 A 33 33 ASP C C 33 176.286 178.017 -1.731 1
1 290 . 14 1 1 A 33 33 ASP CA C 33 52.894 53.308 -0.414 1
1 291 . 14 1 1 A 33 33 ASP CB C 33 41.475 42.033 -0.558 1
1 292 . 14 1 1 A 33 33 ASP N N 33 123.553 120.984 2.569 1
1 293 . 14 1 1 A 34 34 ILE H H 34 8.429 8.575 -0.146 1
1 294 . 14 1 1 A 34 34 ILE HA H 34 3.700 3.858 -0.158 1
1 304 . 14 1 1 A 34 34 ILE C C 34 175.412 177.585 -2.173 1
1 305 . 14 1 1 A 34 34 ILE CA C 34 63.602 64.009 -0.407 1
1 306 . 14 1 1 A 34 34 ILE CB C 34 37.846 37.618 0.228 1
1 310 . 14 1 1 A 34 34 ILE N N 34 117.269 125.280 -8.011 1
1 311 . 14 1 1 A 35 35 PHE H H 35 7.086 7.781 -0.695 1
1 312 . 14 1 1 A 35 35 PHE HA H 35 4.287 4.307 -0.020 1
1 320 . 14 1 1 A 35 35 PHE C C 35 179.589 178.373 1.216 1
1 321 . 14 1 1 A 35 35 PHE CA C 35 60.676 60.401 0.275 1
1 322 . 14 1 1 A 35 35 PHE CB C 35 37.731 38.341 -0.610 1
1 328 . 14 1 1 A 35 35 PHE N N 35 121.852 120.988 0.864 1
1 329 . 14 1 1 A 36 36 MET H H 36 8.559 8.312 0.247 1
1 330 . 14 1 1 A 36 36 MET HA H 36 4.216 4.092 0.124 1
1 338 . 14 1 1 A 36 36 MET C C 36 179.904 178.711 1.193 1
1 339 . 14 1 1 A 36 36 MET CA C 36 58.849 59.084 -0.235 1
1 340 . 14 1 1 A 36 36 MET CB C 36 33.757 32.579 1.178 1
1 343 . 14 1 1 A 36 36 MET N N 36 120.502 117.627 2.875 1
1 344 . 14 1 1 A 37 37 ARG H H 37 8.495 7.973 0.522 1
1 345 . 14 1 1 A 37 37 ARG HA H 37 3.839 3.986 -0.147 1
1 352 . 14 1 1 A 37 37 ARG C C 37 178.326 179.124 -0.798 1
1 353 . 14 1 1 A 37 37 ARG CA C 37 60.738 59.888 0.850 1
1 354 . 14 1 1 A 37 37 ARG CB C 37 31.601 30.046 1.555 1
1 357 . 14 1 1 A 37 37 ARG N N 37 117.379 118.885 -1.506 1
1 358 . 14 1 1 A 38 38 GLU H H 38 8.793 8.230 0.563 1
1 359 . 14 1 1 A 38 38 GLU HA H 38 4.028 4.074 -0.046 1
1 364 . 14 1 1 A 38 38 GLU C C 38 179.079 178.920 0.159 1
1 365 . 14 1 1 A 38 38 GLU CA C 38 59.682 59.079 0.603 1
1 366 . 14 1 1 A 38 38 GLU CB C 38 29.555 29.163 0.392 1
1 368 . 14 1 1 A 38 38 GLU N N 38 119.411 119.742 -0.331 1
1 369 . 14 1 1 A 39 39 GLU H H 39 7.909 8.196 -0.287 1
1 370 . 14 1 1 A 39 39 GLU HA H 39 4.090 4.093 -0.003 1
1 375 . 14 1 1 A 39 39 GLU C C 39 179.662 178.678 0.984 1
1 376 . 14 1 1 A 39 39 GLU CA C 39 59.776 59.563 0.213 1
1 377 . 14 1 1 A 39 39 GLU CB C 39 29.688 29.547 0.141 1
1 379 . 14 1 1 A 39 39 GLU N N 39 119.625 120.510 -0.885 1
1 380 . 14 1 1 A 40 40 VAL H H 40 7.732 7.866 -0.134 1
1 381 . 14 1 1 A 40 40 VAL HA H 40 3.836 3.598 0.238 1
1 389 . 14 1 1 A 40 40 VAL C C 40 176.674 178.156 -1.482 1
1 390 . 14 1 1 A 40 40 VAL CA C 40 65.856 66.768 -0.912 1
1 391 . 14 1 1 A 40 40 VAL CB C 40 31.416 31.504 -0.088 1
1 394 . 14 1 1 A 40 40 VAL N N 40 118.226 119.859 -1.633 1
1 395 . 14 1 1 A 41 41 ALA H H 41 8.405 8.272 0.133 1
1 396 . 14 1 1 A 41 41 ALA HA H 41 3.843 4.057 -0.214 1
1 400 . 14 1 1 A 41 41 ALA C C 41 179.856 178.731 1.125 1
1 401 . 14 1 1 A 41 41 ALA CA C 41 56.009 54.470 1.539 1
1 402 . 14 1 1 A 41 41 ALA CB C 41 17.646 18.610 -0.964 1
1 403 . 14 1 1 A 41 41 ALA N N 41 124.532 121.269 3.263 1
1 404 . 14 1 1 A 42 42 LEU H H 42 7.711 7.912 -0.201 1
1 405 . 14 1 1 A 42 42 LEU HA H 42 4.199 4.251 -0.052 1
1 415 . 14 1 1 A 42 42 LEU C C 42 180.317 178.796 1.521 1
1 416 . 14 1 1 A 42 42 LEU CA C 42 57.484 55.812 1.672 1
1 417 . 14 1 1 A 42 42 LEU CB C 42 42.346 42.246 0.100 1
1 421 . 14 1 1 A 42 42 LEU N N 42 116.217 117.590 -1.373 1
1 422 . 14 1 1 A 43 43 LYS H H 43 7.615 8.337 -0.722 1
1 423 . 14 1 1 A 43 43 LYS HA H 43 4.133 4.084 0.049 1
1 432 . 14 1 1 A 43 43 LYS C C 43 178.933 179.203 -0.270 1
1 433 . 14 1 1 A 43 43 LYS CA C 43 59.269 59.144 0.125 1
1 434 . 14 1 1 A 43 43 LYS CB C 43 33.232 32.655 0.577 1
1 438 . 14 1 1 A 43 43 LYS N N 43 118.909 120.647 -1.738 1
1 439 . 14 1 1 A 44 44 ILE H H 44 8.057 8.060 -0.003 1
1 440 . 14 1 1 A 44 44 ILE HA H 44 4.638 4.106 0.532 1
1 450 . 14 1 1 A 44 44 ILE C C 44 174.853 175.491 -0.638 1
1 451 . 14 1 1 A 44 44 ILE CA C 44 60.676 61.324 -0.648 1
1 452 . 14 1 1 A 44 44 ILE CB C 44 38.258 37.497 0.761 1
1 456 . 14 1 1 A 44 44 ILE N N 44 108.541 114.017 -5.476 1
1 457 . 14 1 1 A 45 45 ASN H H 45 7.885 8.002 -0.117 1
1 458 . 14 1 1 A 45 45 ASN HA H 45 4.400 4.323 0.077 1
1 463 . 14 1 1 A 45 45 ASN C C 45 173.857 173.765 0.092 1
1 464 . 14 1 1 A 45 45 ASN CA C 45 54.104 54.450 -0.346 1
1 465 . 14 1 1 A 45 45 ASN CB C 45 37.082 36.644 0.438 1
1 466 . 14 1 1 A 45 45 ASN N N 45 119.396 117.039 2.357 1
1 468 . 14 1 1 A 46 46 LEU H H 46 8.195 7.709 0.486 1
1 469 . 14 1 1 A 46 46 LEU HA H 46 4.961 4.812 0.149 1
1 479 . 14 1 1 A 46 46 LEU CA C 46 52.101 51.478 0.623 1
1 480 . 14 1 1 A 46 46 LEU CB C 46 46.563 45.231 1.332 1
1 484 . 14 1 1 A 46 46 LEU N N 46 119.142 119.000 0.142 1
1 485 . 14 1 1 A 47 47 PRO HA H 47 4.547 4.687 -0.140 1
1 492 . 14 1 1 A 47 47 PRO C C 47 178.350 177.872 0.478 1
1 493 . 14 1 1 A 47 47 PRO CA C 47 62.434 62.849 -0.415 1
1 494 . 14 1 1 A 47 47 PRO CB C 47 32.295 31.725 0.570 1
1 497 . 14 1 1 A 48 48 GLU H H 48 9.242 9.073 0.169 1
1 498 . 14 1 1 A 48 48 GLU HA H 48 3.689 4.036 -0.347 1
1 503 . 14 1 1 A 48 48 GLU C C 48 178.326 178.221 0.105 1
1 504 . 14 1 1 A 48 48 GLU CA C 48 61.058 59.630 1.428 1
1 505 . 14 1 1 A 48 48 GLU CB C 48 28.537 29.505 -0.968 1
1 507 . 14 1 1 A 48 48 GLU N N 48 125.487 125.194 0.293 1
1 508 . 14 1 1 A 49 49 SER H H 49 8.653 8.146 0.507 1
1 509 . 14 1 1 A 49 49 SER HA H 49 4.058 4.160 -0.102 1
1 512 . 14 1 1 A 49 49 SER C C 49 177.549 176.815 0.734 1
1 513 . 14 1 1 A 49 49 SER CA C 49 61.266 62.088 -0.822 1
1 514 . 14 1 1 A 49 49 SER CB C 49 61.658 62.895 -1.237 1
1 515 . 14 1 1 A 49 49 SER N N 49 113.467 117.904 -4.437 1
1 516 . 14 1 1 A 50 50 ARG H H 50 7.489 7.734 -0.245 1
1 517 . 14 1 1 A 50 50 ARG HA H 50 4.344 4.180 0.164 1
1 524 . 14 1 1 A 50 50 ARG C C 50 179.467 179.422 0.045 1
1 525 . 14 1 1 A 50 50 ARG CA C 50 57.575 59.467 -1.892 1
1 526 . 14 1 1 A 50 50 ARG CB C 50 29.523 30.013 -0.490 1
1 529 . 14 1 1 A 50 50 ARG N N 50 120.329 121.655 -1.326 1
1 530 . 14 1 1 A 51 51 VAL H H 51 7.598 7.897 -0.299 1
1 531 . 14 1 1 A 51 51 VAL HA H 51 3.733 3.716 0.017 1
1 539 . 14 1 1 A 51 51 VAL C C 51 177.767 178.204 -0.437 1
1 540 . 14 1 1 A 51 51 VAL CA C 51 67.082 67.039 0.043 1
1 541 . 14 1 1 A 51 51 VAL CB C 51 31.945 31.649 0.296 1
1 544 . 14 1 1 A 51 51 VAL N N 51 121.456 120.685 0.771 1
1 545 . 14 1 1 A 52 52 GLN H H 52 8.579 8.223 0.356 1
1 546 . 14 1 1 A 52 52 GLN HA H 52 4.338 4.126 0.212 1
1 553 . 14 1 1 A 52 52 GLN C C 52 178.836 178.229 0.607 1
1 554 . 14 1 1 A 52 52 GLN CA C 52 60.257 59.082 1.175 1
1 555 . 14 1 1 A 52 52 GLN CB C 52 28.377 28.895 -0.518 1
1 557 . 14 1 1 A 52 52 GLN N N 52 119.679 119.645 0.034 1
1 559 . 14 1 1 A 53 53 VAL H H 53 7.777 8.313 -0.536 1
1 560 . 14 1 1 A 53 53 VAL HA H 53 3.667 3.797 -0.130 1
1 568 . 14 1 1 A 53 53 VAL C C 53 177.379 178.157 -0.778 1
1 569 . 14 1 1 A 53 53 VAL CA C 53 67.004 66.700 0.304 1
1 570 . 14 1 1 A 53 53 VAL CB C 53 32.237 31.831 0.406 1
1 573 . 14 1 1 A 53 53 VAL N N 53 119.215 119.391 -0.176 1
1 574 . 14 1 1 A 54 54 TRP H H 54 8.177 8.726 -0.549 1
1 575 . 14 1 1 A 54 54 TRP HA H 54 4.074 4.192 -0.118 1
1 584 . 14 1 1 A 54 54 TRP C C 54 179.589 178.377 1.212 1
1 585 . 14 1 1 A 54 54 TRP CA C 54 63.273 61.254 2.019 1
1 586 . 14 1 1 A 54 54 TRP CB C 54 28.458 29.683 -1.225 1
1 592 . 14 1 1 A 54 54 TRP N N 54 120.980 121.291 -0.311 1
1 594 . 14 1 1 A 55 55 PHE H H 55 8.755 8.396 0.359 1
1 595 . 14 1 1 A 55 55 PHE HA H 55 3.626 4.356 -0.730 1
1 603 . 14 1 1 A 55 55 PHE C C 55 177.937 178.373 -0.436 1
1 604 . 14 1 1 A 55 55 PHE CA C 55 64.064 61.485 2.579 1
1 605 . 14 1 1 A 55 55 PHE CB C 55 39.579 38.747 0.832 1
1 611 . 14 1 1 A 55 55 PHE N N 55 118.177 117.960 0.217 1
1 612 . 14 1 1 A 56 56 LYS H H 56 8.169 8.130 0.039 1
1 613 . 14 1 1 A 56 56 LYS HA H 56 3.914 3.942 -0.028 1
1 620 . 14 1 1 A 56 56 LYS C C 56 179.929 179.278 0.651 1
1 621 . 14 1 1 A 56 56 LYS CA C 56 60.488 59.823 0.665 1
1 622 . 14 1 1 A 56 56 LYS CB C 56 32.243 32.343 -0.100 1
1 626 . 14 1 1 A 56 56 LYS N N 56 119.649 118.110 1.539 1
1 627 . 14 1 1 A 57 57 ASN H H 57 8.238 8.467 -0.229 1
1 628 . 14 1 1 A 57 57 ASN HA H 57 4.345 4.384 -0.039 1
1 633 . 14 1 1 A 57 57 ASN C C 57 177.379 177.371 0.008 1
1 634 . 14 1 1 A 57 57 ASN CA C 57 55.515 56.237 -0.722 1
1 635 . 14 1 1 A 57 57 ASN CB C 57 37.887 38.246 -0.359 1
1 636 . 14 1 1 A 57 57 ASN N N 57 118.635 118.306 0.329 1
1 638 . 14 1 1 A 58 58 ARG H H 58 8.347 7.673 0.674 1
1 639 . 14 1 1 A 58 58 ARG HA H 58 3.419 3.633 -0.214 1
1 646 . 14 1 1 A 58 58 ARG C C 58 179.637 178.059 1.578 1
1 647 . 14 1 1 A 58 58 ARG CA C 58 56.820 59.277 -2.457 1
1 648 . 14 1 1 A 58 58 ARG CB C 58 28.359 29.406 -1.047 1
1 651 . 14 1 1 A 58 58 ARG N N 58 123.884 120.404 3.480 1
1 652 . 14 1 1 A 59 59 ARG H H 59 8.184 7.936 0.248 1
1 653 . 14 1 1 A 59 59 ARG HA H 59 4.124 3.967 0.157 1
1 659 . 14 1 1 A 59 59 ARG C C 59 178.836 178.528 0.308 1
1 660 . 14 1 1 A 59 59 ARG CA C 59 60.478 59.623 0.855 1
1 661 . 14 1 1 A 59 59 ARG CB C 59 31.667 30.050 1.617 1
1 664 . 14 1 1 A 59 59 ARG N N 59 117.828 118.960 -1.132 1
1 665 . 14 1 1 A 60 60 ALA H H 60 7.407 7.858 -0.451 1
1 666 . 14 1 1 A 60 60 ALA HA H 60 4.183 4.059 0.124 1
1 670 . 14 1 1 A 60 60 ALA C C 60 179.370 178.986 0.384 1
1 671 . 14 1 1 A 60 60 ALA CA C 60 54.509 55.368 -0.859 1
1 672 . 14 1 1 A 60 60 ALA CB C 60 18.207 18.354 -0.147 1
1 673 . 14 1 1 A 60 60 ALA N N 60 121.238 120.271 0.967 1
1 674 . 14 1 1 A 61 61 LYS H H 61 7.564 8.096 -0.532 1
1 675 . 14 1 1 A 61 61 LYS HA H 61 4.143 3.914 0.229 1
1 684 . 14 1 1 A 61 61 LYS C C 61 177.767 178.312 -0.545 1
1 685 . 14 1 1 A 61 61 LYS CA C 61 57.671 59.587 -1.916 1
1 686 . 14 1 1 A 61 61 LYS CB C 61 32.490 32.122 0.368 1
1 690 . 14 1 1 A 61 61 LYS N N 61 118.322 118.061 0.261 1
1 691 . 14 1 1 A 62 62 CYS H H 62 7.725 8.332 -0.607 1
1 692 . 14 1 1 A 62 62 CYS HA H 62 4.401 3.884 0.517 1
1 695 . 14 1 1 A 62 62 CYS C C 62 175.752 176.994 -1.242 1
1 696 . 14 1 1 A 62 62 CYS CA C 62 60.540 62.819 -2.279 1
1 697 . 14 1 1 A 62 62 CYS CB C 62 27.654 26.537 1.117 1
1 698 . 14 1 1 A 62 62 CYS N N 62 117.981 118.872 -0.891 1
1 699 . 14 1 1 A 63 63 ARG H H 63 8.044 7.555 0.489 1
1 700 . 14 1 1 A 63 63 ARG HA H 63 4.273 3.954 0.319 1
1 705 . 14 1 1 A 63 63 ARG C C 63 177.233 178.128 -0.895 1
1 706 . 14 1 1 A 63 63 ARG CA C 63 57.631 59.647 -2.016 1
1 707 . 14 1 1 A 63 63 ARG CB C 63 30.347 29.745 0.602 1
1 710 . 14 1 1 A 63 63 ARG N N 63 121.313 121.234 0.079 1
1 711 . 14 1 1 A 64 64 GLN H H 64 8.217 7.686 0.531 1
1 712 . 14 1 1 A 64 64 GLN HA H 64 4.262 3.995 0.267 1
1 718 . 14 1 1 A 64 64 GLN C C 64 176.942 177.417 -0.475 1
1 719 . 14 1 1 A 64 64 GLN CA C 64 57.172 59.051 -1.879 1
1 720 . 14 1 1 A 64 64 GLN CB C 64 29.129 28.427 0.702 1
1 722 . 14 1 1 A 64 64 GLN N N 64 120.369 119.390 0.979 1
1 724 . 14 1 1 A 71 71 ASN CB C 71 37.967 38.772 -0.805 1
1 726 . 14 1 1 A 72 72 GLY HA2 H 72 3.984 3.944 0.040 1
1 727 . 14 1 1 A 72 72 GLY HA3 H 72 3.984 3.945 0.039 1
1 728 . 14 1 1 A 72 72 GLY C C 72 174.877 173.290 1.587 1
1 729 . 14 1 1 A 72 72 GLY CA C 72 45.604 46.201 -0.597 1
1 730 . 14 1 1 A 73 73 GLY H H 73 8.288 8.410 -0.122 1
1 731 . 14 1 1 A 73 73 GLY HA2 H 73 3.986 4.271 -0.285 1
1 732 . 14 1 1 A 73 73 GLY HA3 H 73 3.986 4.272 -0.286 1
1 733 . 14 1 1 A 73 73 GLY C C 73 174.319 172.080 2.239 1
1 734 . 14 1 1 A 73 73 GLY CA C 73 45.322 45.338 -0.016 1
1 735 . 14 1 1 A 73 73 GLY N N 73 108.597 109.850 -1.253 1
1 736 . 14 1 1 A 74 74 GLN H H 74 8.281 8.587 -0.306 1
1 737 . 14 1 1 A 74 74 GLN HA H 74 4.413 4.728 -0.315 1
1 743 . 14 1 1 A 74 74 GLN C C 74 176.262 175.561 0.701 1
1 744 . 14 1 1 A 74 74 GLN CA C 74 55.973 55.490 0.483 1
1 745 . 14 1 1 A 74 74 GLN CB C 74 29.605 29.566 0.039 1
1 747 . 14 1 1 A 74 74 GLN N N 74 119.866 123.837 -3.971 1
1 749 . 14 1 1 A 75 75 SER H H 75 8.432 8.604 -0.172 1
1 750 . 14 1 1 A 75 75 SER HA H 75 4.524 4.584 -0.060 1
1 753 . 14 1 1 A 75 75 SER C C 75 174.586 174.878 -0.292 1
1 754 . 14 1 1 A 75 75 SER CA C 75 58.513 58.008 0.505 1
1 755 . 14 1 1 A 75 75 SER CB C 75 64.061 63.588 0.473 1
1 756 . 14 1 1 A 75 75 SER N N 75 117.073 119.415 -2.342 1
1 757 . 14 1 1 A 76 76 GLY H H 76 8.244 8.356 -0.112 1
1 758 . 14 1 1 A 76 76 GLY HA2 H 76 4.171 4.225 -0.054 1
1 759 . 14 1 1 A 76 76 GLY HA3 H 76 4.102 4.226 -0.124 1
1 760 . 14 1 1 A 76 76 GLY C C 76 171.842 174.491 -2.649 1
1 761 . 14 1 1 A 76 76 GLY CA C 76 44.617 44.582 0.035 1
1 762 . 14 1 1 A 76 76 GLY N N 76 110.727 109.388 1.339 1
1 763 . 14 1 1 A 77 77 PRO HA H 77 4.494 4.480 0.014 1
1 770 . 14 1 1 A 77 77 PRO C C 77 177.476 176.356 1.120 1
1 771 . 14 1 1 A 77 77 PRO CA C 77 63.380 64.243 -0.863 1
1 772 . 14 1 1 A 77 77 PRO CB C 77 32.231 31.773 0.458 1
1 775 . 14 1 1 A 78 78 SER H H 78 8.526 7.718 0.808 1
1 776 . 14 1 1 A 78 78 SER HA H 78 4.514 4.309 0.205 1
1 779 . 14 1 1 A 78 78 SER C C 78 174.756 174.273 0.483 1
1 780 . 14 1 1 A 78 78 SER CA C 78 58.513 60.773 -2.260 1
1 781 . 14 1 1 A 78 78 SER CB C 78 63.896 63.637 0.259 1
1 782 . 14 1 1 A 78 78 SER N N 78 116.438 115.937 0.501 1
1 783 . 14 1 1 A 79 79 SER H H 79 8.329 8.290 0.039 1
1 784 . 14 1 1 A 79 79 SER HA H 79 4.502 4.791 -0.289 1
1 787 . 14 1 1 A 79 79 SER C C 79 173.954 176.046 -2.092 1
1 788 . 14 1 1 A 79 79 SER CA C 79 58.477 57.009 1.468 1
1 789 . 14 1 1 A 79 79 SER CB C 79 64.019 66.017 -1.998 1
1 790 . 14 1 1 A 79 79 SER N N 79 117.859 119.781 -1.922 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.978 4.202 -0.224 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.978 4.203 -0.225 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.149 172.596 1.553 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.393 45.812 -0.419 1
1 5 . 15 1 1 A 8 8 ARG H H 8 8.135 8.175 -0.040 1
1 6 . 15 1 1 A 8 8 ARG C C 8 176.480 175.566 0.914 1
1 7 . 15 1 1 A 8 8 ARG CA C 8 56.589 54.603 1.986 1
1 8 . 15 1 1 A 8 8 ARG CB C 8 30.686 31.465 -0.779 1
1 11 . 15 1 1 A 8 8 ARG N N 8 120.720 120.966 -0.246 1
1 12 . 15 1 1 A 9 9 ARG H H 9 8.471 8.618 -0.147 1
1 13 . 15 1 1 A 9 9 ARG HA H 9 4.288 4.222 0.066 1
1 14 . 15 1 1 A 9 9 ARG C C 9 176.504 175.902 0.602 1
1 15 . 15 1 1 A 9 9 ARG CA C 9 56.432 56.391 0.041 1
1 16 . 15 1 1 A 9 9 ARG CB C 9 30.466 30.540 -0.074 1
1 17 . 15 1 1 A 9 9 ARG N N 9 122.487 125.490 -3.003 1
1 18 . 15 1 1 A 13 13 THR HA H 13 4.365 4.055 0.310 1
1 23 . 15 1 1 A 13 13 THR C C 13 173.954 173.991 -0.037 1
1 24 . 15 1 1 A 13 13 THR CA C 13 61.440 66.045 -4.605 1
1 25 . 15 1 1 A 13 13 THR CB C 13 70.210 69.481 0.729 1
1 27 . 15 1 1 A 14 14 PHE H H 14 8.297 8.210 0.087 1
1 28 . 15 1 1 A 14 14 PHE HA H 14 4.941 5.339 -0.398 1
1 36 . 15 1 1 A 14 14 PHE C C 14 176.650 175.742 0.908 1
1 37 . 15 1 1 A 14 14 PHE CA C 14 57.077 56.547 0.530 1
1 38 . 15 1 1 A 14 14 PHE CB C 14 41.503 40.190 1.313 1
1 44 . 15 1 1 A 14 14 PHE N N 14 121.677 117.227 4.450 1
1 45 . 15 1 1 A 15 15 THR H H 15 9.009 8.919 0.090 1
1 46 . 15 1 1 A 15 15 THR HA H 15 4.493 4.819 -0.326 1
1 51 . 15 1 1 A 15 15 THR C C 15 175.314 176.130 -0.816 1
1 52 . 15 1 1 A 15 15 THR CA C 15 60.359 60.275 0.084 1
1 53 . 15 1 1 A 15 15 THR CB C 15 70.902 71.663 -0.761 1
1 55 . 15 1 1 A 15 15 THR N N 15 113.381 115.430 -2.049 1
1 56 . 15 1 1 A 16 16 ARG H H 16 8.882 9.000 -0.118 1
1 57 . 15 1 1 A 16 16 ARG HA H 16 3.986 3.932 0.054 1
1 64 . 15 1 1 A 16 16 ARG C C 16 177.670 178.530 -0.860 1
1 65 . 15 1 1 A 16 16 ARG CA C 16 59.042 60.043 -1.001 1
1 66 . 15 1 1 A 16 16 ARG CB C 16 30.100 30.049 0.051 1
1 69 . 15 1 1 A 16 16 ARG N N 16 122.206 121.841 0.365 1
1 70 . 15 1 1 A 17 17 ALA H H 17 8.251 8.271 -0.020 1
1 71 . 15 1 1 A 17 17 ALA HA H 17 4.159 4.080 0.079 1
1 75 . 15 1 1 A 17 17 ALA C C 17 181.386 180.089 1.297 1
1 76 . 15 1 1 A 17 17 ALA CA C 17 54.986 55.303 -0.317 1
1 77 . 15 1 1 A 17 17 ALA CB C 17 18.333 18.159 0.174 1
1 78 . 15 1 1 A 17 17 ALA N N 17 119.149 121.873 -2.724 1
1 79 . 15 1 1 A 18 18 GLN H H 18 7.533 7.783 -0.250 1
1 80 . 15 1 1 A 18 18 GLN HA H 18 3.858 3.985 -0.127 1
1 87 . 15 1 1 A 18 18 GLN C C 18 177.986 178.656 -0.670 1
1 88 . 15 1 1 A 18 18 GLN CA C 18 58.790 59.051 -0.261 1
1 89 . 15 1 1 A 18 18 GLN CB C 18 28.603 28.349 0.254 1
1 91 . 15 1 1 A 18 18 GLN N N 18 116.295 117.450 -1.155 1
1 93 . 15 1 1 A 19 19 LEU H H 19 8.417 8.512 -0.095 1
1 94 . 15 1 1 A 19 19 LEU HA H 19 3.547 3.693 -0.146 1
1 104 . 15 1 1 A 19 19 LEU C C 19 178.617 178.289 0.328 1
1 105 . 15 1 1 A 19 19 LEU CA C 19 57.745 57.938 -0.193 1
1 106 . 15 1 1 A 19 19 LEU CB C 19 41.584 41.467 0.117 1
1 110 . 15 1 1 A 19 19 LEU N N 19 118.955 119.998 -1.043 1
1 111 . 15 1 1 A 20 20 ASP H H 20 8.537 8.434 0.103 1
1 112 . 15 1 1 A 20 20 ASP HA H 20 4.291 4.245 0.046 1
1 115 . 15 1 1 A 20 20 ASP C C 20 179.783 178.649 1.134 1
1 116 . 15 1 1 A 20 20 ASP CA C 20 57.666 57.325 0.341 1
1 117 . 15 1 1 A 20 20 ASP CB C 20 39.965 41.397 -1.432 1
1 118 . 15 1 1 A 20 20 ASP N N 20 118.356 119.578 -1.222 1
1 119 . 15 1 1 A 21 21 VAL H H 21 7.006 7.731 -0.725 1
1 120 . 15 1 1 A 21 21 VAL HA H 21 3.667 3.544 0.123 1
1 128 . 15 1 1 A 21 21 VAL C C 21 178.836 177.859 0.977 1
1 129 . 15 1 1 A 21 21 VAL CA C 21 66.062 66.640 -0.578 1
1 130 . 15 1 1 A 21 21 VAL CB C 21 32.006 31.631 0.375 1
1 133 . 15 1 1 A 21 21 VAL N N 21 120.507 118.751 1.756 1
1 134 . 15 1 1 A 22 22 LEU H H 22 7.638 8.155 -0.517 1
1 135 . 15 1 1 A 22 22 LEU HA H 22 3.557 3.762 -0.205 1
1 145 . 15 1 1 A 22 22 LEU C C 22 178.277 179.234 -0.957 1
1 146 . 15 1 1 A 22 22 LEU CA C 22 58.595 58.042 0.553 1
1 147 . 15 1 1 A 22 22 LEU CB C 22 38.402 40.666 -2.264 1
1 151 . 15 1 1 A 22 22 LEU N N 22 122.874 119.024 3.850 1
1 152 . 15 1 1 A 23 23 GLU H H 23 8.880 8.338 0.542 1
1 153 . 15 1 1 A 23 23 GLU HA H 23 4.162 4.085 0.077 1
1 157 . 15 1 1 A 23 23 GLU C C 23 180.123 179.032 1.091 1
1 158 . 15 1 1 A 23 23 GLU CA C 23 59.182 59.045 0.137 1
1 159 . 15 1 1 A 23 23 GLU CB C 23 29.111 29.828 -0.717 1
1 161 . 15 1 1 A 23 23 GLU N N 23 117.314 118.283 -0.969 1
1 162 . 15 1 1 A 24 24 ALA H H 24 7.614 8.114 -0.500 1
1 163 . 15 1 1 A 24 24 ALA HA H 24 4.273 4.104 0.169 1
1 167 . 15 1 1 A 24 24 ALA C C 24 180.560 179.654 0.906 1
1 168 . 15 1 1 A 24 24 ALA CA C 24 55.023 54.950 0.073 1
1 169 . 15 1 1 A 24 24 ALA CB C 24 17.775 18.648 -0.873 1
1 170 . 15 1 1 A 24 24 ALA N N 24 122.032 122.591 -0.559 1
1 171 . 15 1 1 A 25 25 LEU H H 25 7.673 7.907 -0.234 1
1 172 . 15 1 1 A 25 25 LEU HA H 25 4.507 4.209 0.298 1
1 182 . 15 1 1 A 25 25 LEU C C 25 177.694 178.519 -0.825 1
1 183 . 15 1 1 A 25 25 LEU CA C 25 57.913 57.397 0.516 1
1 184 . 15 1 1 A 25 25 LEU CB C 25 40.753 41.764 -1.011 1
1 188 . 15 1 1 A 25 25 LEU N N 25 120.067 120.113 -0.046 1
1 189 . 15 1 1 A 26 26 PHE H H 26 8.839 8.384 0.455 1
1 190 . 15 1 1 A 26 26 PHE HA H 26 4.765 4.443 0.322 1
1 198 . 15 1 1 A 26 26 PHE C C 26 175.800 177.755 -1.955 1
1 199 . 15 1 1 A 26 26 PHE CA C 26 61.017 60.140 0.877 1
1 200 . 15 1 1 A 26 26 PHE CB C 26 39.167 39.625 -0.458 1
1 206 . 15 1 1 A 26 26 PHE N N 26 121.428 120.293 1.135 1
1 207 . 15 1 1 A 27 27 ALA H H 27 7.825 7.643 0.182 1
1 208 . 15 1 1 A 27 27 ALA HA H 27 4.062 4.197 -0.135 1
1 212 . 15 1 1 A 27 27 ALA C C 27 179.273 178.847 0.426 1
1 213 . 15 1 1 A 27 27 ALA CA C 27 53.975 54.065 -0.090 1
1 214 . 15 1 1 A 27 27 ALA CB C 27 18.276 18.826 -0.550 1
1 215 . 15 1 1 A 27 27 ALA N N 27 116.175 121.470 -5.295 1
1 216 . 15 1 1 A 28 28 LYS H H 28 7.618 7.834 -0.216 1
1 217 . 15 1 1 A 28 28 LYS HA H 28 4.251 4.376 -0.125 1
1 225 . 15 1 1 A 28 28 LYS C C 28 177.354 176.091 1.263 1
1 226 . 15 1 1 A 28 28 LYS CA C 28 58.122 57.966 0.156 1
1 227 . 15 1 1 A 28 28 LYS CB C 28 33.315 33.457 -0.142 1
1 231 . 15 1 1 A 28 28 LYS N N 28 118.586 113.980 4.606 1
1 232 . 15 1 1 A 29 29 THR H H 29 8.820 7.936 0.884 1
1 233 . 15 1 1 A 29 29 THR HA H 29 4.410 4.662 -0.252 1
1 238 . 15 1 1 A 29 29 THR C C 29 170.360 174.523 -4.163 1
1 239 . 15 1 1 A 29 29 THR CA C 29 59.749 61.341 -1.592 1
1 240 . 15 1 1 A 29 29 THR CB C 29 68.972 70.499 -1.527 1
1 242 . 15 1 1 A 29 29 THR N N 29 116.094 113.175 2.919 1
1 243 . 15 1 1 A 30 30 ARG H H 30 8.203 8.698 -0.495 1
1 244 . 15 1 1 A 30 30 ARG HA H 30 3.957 4.046 -0.089 1
1 251 . 15 1 1 A 30 30 ARG C C 30 175.120 176.194 -1.074 1
1 252 . 15 1 1 A 30 30 ARG CA C 30 56.750 59.509 -2.759 1
1 253 . 15 1 1 A 30 30 ARG CB C 30 30.444 30.395 0.049 1
1 256 . 15 1 1 A 30 30 ARG N N 30 122.783 127.833 -5.050 1
1 257 . 15 1 1 A 31 31 TYR H H 31 8.002 8.171 -0.169 1
1 258 . 15 1 1 A 31 31 TYR HA H 31 4.686 5.109 -0.423 1
1 265 . 15 1 1 A 31 31 TYR C C 31 172.910 172.877 0.033 1
1 266 . 15 1 1 A 31 31 TYR CA C 31 55.303 54.900 0.403 1
1 267 . 15 1 1 A 31 31 TYR CB C 31 39.057 38.653 0.404 1
1 272 . 15 1 1 A 31 31 TYR N N 31 114.710 116.942 -2.232 1
1 273 . 15 1 1 A 32 32 PRO HA H 32 4.427 4.495 -0.068 1
1 280 . 15 1 1 A 32 32 PRO C C 32 177.257 176.954 0.303 1
1 281 . 15 1 1 A 32 32 PRO CA C 32 62.838 63.015 -0.177 1
1 282 . 15 1 1 A 32 32 PRO CB C 32 32.082 32.092 -0.010 1
1 285 . 15 1 1 A 33 33 ASP H H 33 7.804 8.444 -0.640 1
1 286 . 15 1 1 A 33 33 ASP HA H 33 4.509 4.698 -0.189 1
1 289 . 15 1 1 A 33 33 ASP C C 33 176.286 177.723 -1.437 1
1 290 . 15 1 1 A 33 33 ASP CA C 33 52.894 54.055 -1.161 1
1 291 . 15 1 1 A 33 33 ASP CB C 33 41.475 42.041 -0.566 1
1 292 . 15 1 1 A 33 33 ASP N N 33 123.553 121.008 2.545 1
1 293 . 15 1 1 A 34 34 ILE H H 34 8.429 8.675 -0.246 1
1 294 . 15 1 1 A 34 34 ILE HA H 34 3.700 3.875 -0.175 1
1 304 . 15 1 1 A 34 34 ILE C C 34 175.412 177.845 -2.433 1
1 305 . 15 1 1 A 34 34 ILE CA C 34 63.602 64.071 -0.469 1
1 306 . 15 1 1 A 34 34 ILE CB C 34 37.846 37.286 0.560 1
1 310 . 15 1 1 A 34 34 ILE N N 34 117.269 125.246 -7.977 1
1 311 . 15 1 1 A 35 35 PHE H H 35 7.086 8.026 -0.940 1
1 312 . 15 1 1 A 35 35 PHE HA H 35 4.287 4.348 -0.061 1
1 320 . 15 1 1 A 35 35 PHE C C 35 179.589 178.246 1.343 1
1 321 . 15 1 1 A 35 35 PHE CA C 35 60.676 60.426 0.250 1
1 322 . 15 1 1 A 35 35 PHE CB C 35 37.731 38.858 -1.127 1
1 328 . 15 1 1 A 35 35 PHE N N 35 121.852 121.140 0.712 1
1 329 . 15 1 1 A 36 36 MET H H 36 8.559 8.269 0.290 1
1 330 . 15 1 1 A 36 36 MET HA H 36 4.216 3.992 0.224 1
1 338 . 15 1 1 A 36 36 MET C C 36 179.904 178.746 1.158 1
1 339 . 15 1 1 A 36 36 MET CA C 36 58.849 59.297 -0.448 1
1 340 . 15 1 1 A 36 36 MET CB C 36 33.757 32.767 0.990 1
1 343 . 15 1 1 A 36 36 MET N N 36 120.502 117.413 3.089 1
1 344 . 15 1 1 A 37 37 ARG H H 37 8.495 7.915 0.580 1
1 345 . 15 1 1 A 37 37 ARG HA H 37 3.839 3.991 -0.152 1
1 352 . 15 1 1 A 37 37 ARG C C 37 178.326 179.214 -0.888 1
1 353 . 15 1 1 A 37 37 ARG CA C 37 60.738 59.734 1.004 1
1 354 . 15 1 1 A 37 37 ARG CB C 37 31.601 29.982 1.619 1
1 357 . 15 1 1 A 37 37 ARG N N 37 117.379 118.915 -1.536 1
1 358 . 15 1 1 A 38 38 GLU H H 38 8.793 8.342 0.451 1
1 359 . 15 1 1 A 38 38 GLU HA H 38 4.028 4.074 -0.046 1
1 364 . 15 1 1 A 38 38 GLU C C 38 179.079 178.971 0.108 1
1 365 . 15 1 1 A 38 38 GLU CA C 38 59.682 59.037 0.645 1
1 366 . 15 1 1 A 38 38 GLU CB C 38 29.555 29.210 0.345 1
1 368 . 15 1 1 A 38 38 GLU N N 38 119.411 119.575 -0.164 1
1 369 . 15 1 1 A 39 39 GLU H H 39 7.909 7.950 -0.041 1
1 370 . 15 1 1 A 39 39 GLU HA H 39 4.090 4.105 -0.015 1
1 375 . 15 1 1 A 39 39 GLU C C 39 179.662 178.852 0.810 1
1 376 . 15 1 1 A 39 39 GLU CA C 39 59.776 59.164 0.612 1
1 377 . 15 1 1 A 39 39 GLU CB C 39 29.688 29.438 0.250 1
1 379 . 15 1 1 A 39 39 GLU N N 39 119.625 120.376 -0.751 1
1 380 . 15 1 1 A 40 40 VAL H H 40 7.732 8.062 -0.330 1
1 381 . 15 1 1 A 40 40 VAL HA H 40 3.836 3.588 0.248 1
1 389 . 15 1 1 A 40 40 VAL C C 40 176.674 178.025 -1.351 1
1 390 . 15 1 1 A 40 40 VAL CA C 40 65.856 66.651 -0.795 1
1 391 . 15 1 1 A 40 40 VAL CB C 40 31.416 31.458 -0.042 1
1 394 . 15 1 1 A 40 40 VAL N N 40 118.226 119.860 -1.634 1
1 395 . 15 1 1 A 41 41 ALA H H 41 8.405 8.557 -0.152 1
1 396 . 15 1 1 A 41 41 ALA HA H 41 3.843 4.036 -0.193 1
1 400 . 15 1 1 A 41 41 ALA C C 41 179.856 179.552 0.304 1
1 401 . 15 1 1 A 41 41 ALA CA C 41 56.009 54.748 1.261 1
1 402 . 15 1 1 A 41 41 ALA CB C 41 17.646 18.546 -0.900 1
1 403 . 15 1 1 A 41 41 ALA N N 41 124.532 121.115 3.417 1
1 404 . 15 1 1 A 42 42 LEU H H 42 7.711 7.767 -0.056 1
1 405 . 15 1 1 A 42 42 LEU HA H 42 4.199 4.138 0.061 1
1 415 . 15 1 1 A 42 42 LEU C C 42 180.317 179.113 1.204 1
1 416 . 15 1 1 A 42 42 LEU CA C 42 57.484 56.527 0.957 1
1 417 . 15 1 1 A 42 42 LEU CB C 42 42.346 42.033 0.313 1
1 421 . 15 1 1 A 42 42 LEU N N 42 116.217 118.914 -2.697 1
1 422 . 15 1 1 A 43 43 LYS H H 43 7.615 8.290 -0.675 1
1 423 . 15 1 1 A 43 43 LYS HA H 43 4.133 4.055 0.078 1
1 432 . 15 1 1 A 43 43 LYS C C 43 178.933 179.266 -0.333 1
1 433 . 15 1 1 A 43 43 LYS CA C 43 59.269 59.304 -0.035 1
1 434 . 15 1 1 A 43 43 LYS CB C 43 33.232 32.476 0.756 1
1 438 . 15 1 1 A 43 43 LYS N N 43 118.909 120.778 -1.869 1
1 439 . 15 1 1 A 44 44 ILE H H 44 8.057 8.089 -0.032 1
1 440 . 15 1 1 A 44 44 ILE HA H 44 4.638 4.062 0.576 1
1 450 . 15 1 1 A 44 44 ILE C C 44 174.853 176.609 -1.756 1
1 451 . 15 1 1 A 44 44 ILE CA C 44 60.676 62.141 -1.465 1
1 452 . 15 1 1 A 44 44 ILE CB C 44 38.258 37.889 0.369 1
1 456 . 15 1 1 A 44 44 ILE N N 44 108.541 115.333 -6.792 1
1 457 . 15 1 1 A 45 45 ASN H H 45 7.885 8.204 -0.319 1
1 458 . 15 1 1 A 45 45 ASN HA H 45 4.400 4.336 0.064 1
1 463 . 15 1 1 A 45 45 ASN C C 45 173.857 173.850 0.007 1
1 464 . 15 1 1 A 45 45 ASN CA C 45 54.104 54.103 0.001 1
1 465 . 15 1 1 A 45 45 ASN CB C 45 37.082 37.239 -0.157 1
1 466 . 15 1 1 A 45 45 ASN N N 45 119.396 120.413 -1.017 1
1 468 . 15 1 1 A 46 46 LEU H H 46 8.195 7.864 0.331 1
1 469 . 15 1 1 A 46 46 LEU HA H 46 4.961 4.777 0.184 1
1 479 . 15 1 1 A 46 46 LEU CA C 46 52.101 51.402 0.699 1
1 480 . 15 1 1 A 46 46 LEU CB C 46 46.563 45.049 1.514 1
1 484 . 15 1 1 A 46 46 LEU N N 46 119.142 118.765 0.377 1
1 485 . 15 1 1 A 47 47 PRO HA H 47 4.547 4.675 -0.128 1
1 492 . 15 1 1 A 47 47 PRO C C 47 178.350 177.837 0.513 1
1 493 . 15 1 1 A 47 47 PRO CA C 47 62.434 62.812 -0.378 1
1 494 . 15 1 1 A 47 47 PRO CB C 47 32.295 31.904 0.391 1
1 497 . 15 1 1 A 48 48 GLU H H 48 9.242 9.063 0.179 1
1 498 . 15 1 1 A 48 48 GLU HA H 48 3.689 4.003 -0.314 1
1 503 . 15 1 1 A 48 48 GLU C C 48 178.326 178.213 0.113 1
1 504 . 15 1 1 A 48 48 GLU CA C 48 61.058 59.641 1.417 1
1 505 . 15 1 1 A 48 48 GLU CB C 48 28.537 29.505 -0.968 1
1 507 . 15 1 1 A 48 48 GLU N N 48 125.487 125.120 0.367 1
1 508 . 15 1 1 A 49 49 SER H H 49 8.653 8.142 0.511 1
1 509 . 15 1 1 A 49 49 SER HA H 49 4.058 4.165 -0.107 1
1 512 . 15 1 1 A 49 49 SER C C 49 177.549 176.775 0.774 1
1 513 . 15 1 1 A 49 49 SER CA C 49 61.266 62.020 -0.754 1
1 514 . 15 1 1 A 49 49 SER CB C 49 61.658 62.892 -1.234 1
1 515 . 15 1 1 A 49 49 SER N N 49 113.467 117.975 -4.508 1
1 516 . 15 1 1 A 50 50 ARG H H 50 7.489 7.746 -0.257 1
1 517 . 15 1 1 A 50 50 ARG HA H 50 4.344 4.156 0.188 1
1 524 . 15 1 1 A 50 50 ARG C C 50 179.467 179.361 0.106 1
1 525 . 15 1 1 A 50 50 ARG CA C 50 57.575 59.498 -1.923 1
1 526 . 15 1 1 A 50 50 ARG CB C 50 29.523 29.899 -0.376 1
1 529 . 15 1 1 A 50 50 ARG N N 50 120.329 121.633 -1.304 1
1 530 . 15 1 1 A 51 51 VAL H H 51 7.598 7.962 -0.364 1
1 531 . 15 1 1 A 51 51 VAL HA H 51 3.733 3.729 0.004 1
1 539 . 15 1 1 A 51 51 VAL C C 51 177.767 178.082 -0.315 1
1 540 . 15 1 1 A 51 51 VAL CA C 51 67.082 67.188 -0.106 1
1 541 . 15 1 1 A 51 51 VAL CB C 51 31.945 31.614 0.331 1
1 544 . 15 1 1 A 51 51 VAL N N 51 121.456 120.733 0.723 1
1 545 . 15 1 1 A 52 52 GLN H H 52 8.579 8.100 0.479 1
1 546 . 15 1 1 A 52 52 GLN HA H 52 4.338 4.070 0.268 1
1 553 . 15 1 1 A 52 52 GLN C C 52 178.836 178.167 0.669 1
1 554 . 15 1 1 A 52 52 GLN CA C 52 60.257 59.413 0.844 1
1 555 . 15 1 1 A 52 52 GLN CB C 52 28.377 28.726 -0.349 1
1 557 . 15 1 1 A 52 52 GLN N N 52 119.679 119.646 0.033 1
1 559 . 15 1 1 A 53 53 VAL H H 53 7.777 8.273 -0.496 1
1 560 . 15 1 1 A 53 53 VAL HA H 53 3.667 3.728 -0.061 1
1 568 . 15 1 1 A 53 53 VAL C C 53 177.379 178.123 -0.744 1
1 569 . 15 1 1 A 53 53 VAL CA C 53 67.004 66.733 0.271 1
1 570 . 15 1 1 A 53 53 VAL CB C 53 32.237 31.741 0.496 1
1 573 . 15 1 1 A 53 53 VAL N N 53 119.215 119.536 -0.321 1
1 574 . 15 1 1 A 54 54 TRP H H 54 8.177 8.655 -0.478 1
1 575 . 15 1 1 A 54 54 TRP HA H 54 4.074 4.069 0.005 1
1 584 . 15 1 1 A 54 54 TRP C C 54 179.589 178.421 1.168 1
1 585 . 15 1 1 A 54 54 TRP CA C 54 63.273 60.920 2.353 1
1 586 . 15 1 1 A 54 54 TRP CB C 54 28.458 29.686 -1.228 1
1 592 . 15 1 1 A 54 54 TRP N N 54 120.980 121.254 -0.274 1
1 594 . 15 1 1 A 55 55 PHE H H 55 8.755 8.147 0.608 1
1 595 . 15 1 1 A 55 55 PHE HA H 55 3.626 4.081 -0.455 1
1 603 . 15 1 1 A 55 55 PHE C C 55 177.937 178.342 -0.405 1
1 604 . 15 1 1 A 55 55 PHE CA C 55 64.064 61.269 2.795 1
1 605 . 15 1 1 A 55 55 PHE CB C 55 39.579 38.590 0.989 1
1 611 . 15 1 1 A 55 55 PHE N N 55 118.177 117.602 0.575 1
1 612 . 15 1 1 A 56 56 LYS H H 56 8.169 8.279 -0.110 1
1 613 . 15 1 1 A 56 56 LYS HA H 56 3.914 3.855 0.059 1
1 620 . 15 1 1 A 56 56 LYS C C 56 179.929 179.354 0.575 1
1 621 . 15 1 1 A 56 56 LYS CA C 56 60.488 59.689 0.799 1
1 622 . 15 1 1 A 56 56 LYS CB C 56 32.243 32.443 -0.200 1
1 626 . 15 1 1 A 56 56 LYS N N 56 119.649 117.964 1.685 1
1 627 . 15 1 1 A 57 57 ASN H H 57 8.238 8.453 -0.215 1
1 628 . 15 1 1 A 57 57 ASN HA H 57 4.345 4.374 -0.029 1
1 633 . 15 1 1 A 57 57 ASN C C 57 177.379 177.611 -0.232 1
1 634 . 15 1 1 A 57 57 ASN CA C 57 55.515 56.057 -0.542 1
1 635 . 15 1 1 A 57 57 ASN CB C 57 37.887 37.803 0.084 1
1 636 . 15 1 1 A 57 57 ASN N N 57 118.635 118.398 0.237 1
1 638 . 15 1 1 A 58 58 ARG H H 58 8.347 7.615 0.732 1
1 639 . 15 1 1 A 58 58 ARG HA H 58 3.419 3.494 -0.075 1
1 646 . 15 1 1 A 58 58 ARG C C 58 179.637 178.610 1.027 1
1 647 . 15 1 1 A 58 58 ARG CA C 58 56.820 59.131 -2.311 1
1 648 . 15 1 1 A 58 58 ARG CB C 58 28.359 29.017 -0.658 1
1 651 . 15 1 1 A 58 58 ARG N N 58 123.884 119.856 4.028 1
1 652 . 15 1 1 A 59 59 ARG H H 59 8.184 8.141 0.043 1
1 653 . 15 1 1 A 59 59 ARG HA H 59 4.124 4.026 0.098 1
1 659 . 15 1 1 A 59 59 ARG C C 59 178.836 178.603 0.233 1
1 660 . 15 1 1 A 59 59 ARG CA C 59 60.478 59.217 1.261 1
1 661 . 15 1 1 A 59 59 ARG CB C 59 31.667 30.165 1.502 1
1 664 . 15 1 1 A 59 59 ARG N N 59 117.828 118.252 -0.424 1
1 665 . 15 1 1 A 60 60 ALA H H 60 7.407 7.615 -0.208 1
1 666 . 15 1 1 A 60 60 ALA HA H 60 4.183 4.085 0.098 1
1 670 . 15 1 1 A 60 60 ALA C C 60 179.370 179.087 0.283 1
1 671 . 15 1 1 A 60 60 ALA CA C 60 54.509 55.015 -0.506 1
1 672 . 15 1 1 A 60 60 ALA CB C 60 18.207 18.257 -0.050 1
1 673 . 15 1 1 A 60 60 ALA N N 60 121.238 121.733 -0.495 1
1 674 . 15 1 1 A 61 61 LYS H H 61 7.564 7.994 -0.430 1
1 675 . 15 1 1 A 61 61 LYS HA H 61 4.143 3.861 0.282 1
1 684 . 15 1 1 A 61 61 LYS C C 61 177.767 178.259 -0.492 1
1 685 . 15 1 1 A 61 61 LYS CA C 61 57.671 59.769 -2.098 1
1 686 . 15 1 1 A 61 61 LYS CB C 61 32.490 32.352 0.138 1
1 690 . 15 1 1 A 61 61 LYS N N 61 118.322 117.929 0.393 1
1 691 . 15 1 1 A 62 62 CYS H H 62 7.725 7.795 -0.070 1
1 692 . 15 1 1 A 62 62 CYS HA H 62 4.401 3.994 0.407 1
1 695 . 15 1 1 A 62 62 CYS C C 62 175.752 177.137 -1.385 1
1 696 . 15 1 1 A 62 62 CYS CA C 62 60.540 63.196 -2.656 1
1 697 . 15 1 1 A 62 62 CYS CB C 62 27.654 27.203 0.451 1
1 698 . 15 1 1 A 62 62 CYS N N 62 117.981 117.272 0.709 1
1 699 . 15 1 1 A 63 63 ARG H H 63 8.044 7.809 0.235 1
1 700 . 15 1 1 A 63 63 ARG HA H 63 4.273 3.936 0.337 1
1 705 . 15 1 1 A 63 63 ARG C C 63 177.233 178.530 -1.297 1
1 706 . 15 1 1 A 63 63 ARG CA C 63 57.631 59.687 -2.056 1
1 707 . 15 1 1 A 63 63 ARG CB C 63 30.347 29.903 0.444 1
1 710 . 15 1 1 A 63 63 ARG N N 63 121.313 120.581 0.732 1
1 711 . 15 1 1 A 64 64 GLN H H 64 8.217 7.845 0.372 1
1 712 . 15 1 1 A 64 64 GLN HA H 64 4.262 3.964 0.298 1
1 718 . 15 1 1 A 64 64 GLN C C 64 176.942 175.737 1.205 1
1 719 . 15 1 1 A 64 64 GLN CA C 64 57.172 59.003 -1.831 1
1 720 . 15 1 1 A 64 64 GLN CB C 64 29.129 28.374 0.755 1
1 722 . 15 1 1 A 64 64 GLN N N 64 120.369 119.049 1.320 1
1 724 . 15 1 1 A 71 71 ASN CB C 71 37.967 42.470 -4.503 1
1 726 . 15 1 1 A 72 72 GLY HA2 H 72 3.984 4.066 -0.082 1
1 727 . 15 1 1 A 72 72 GLY HA3 H 72 3.984 4.066 -0.082 1
1 728 . 15 1 1 A 72 72 GLY C C 72 174.877 173.548 1.329 1
1 729 . 15 1 1 A 72 72 GLY CA C 72 45.604 44.723 0.881 1
1 730 . 15 1 1 A 73 73 GLY H H 73 8.288 8.130 0.158 1
1 731 . 15 1 1 A 73 73 GLY HA2 H 73 3.986 4.331 -0.345 1
1 732 . 15 1 1 A 73 73 GLY HA3 H 73 3.986 4.336 -0.350 1
1 733 . 15 1 1 A 73 73 GLY C C 73 174.319 171.847 2.472 1
1 734 . 15 1 1 A 73 73 GLY CA C 73 45.322 45.251 0.071 1
1 735 . 15 1 1 A 73 73 GLY N N 73 108.597 110.647 -2.050 1
1 736 . 15 1 1 A 74 74 GLN H H 74 8.281 9.043 -0.762 1
1 737 . 15 1 1 A 74 74 GLN HA H 74 4.413 5.166 -0.753 1
1 743 . 15 1 1 A 74 74 GLN C C 74 176.262 174.429 1.833 1
1 744 . 15 1 1 A 74 74 GLN CA C 74 55.973 54.508 1.465 1
1 745 . 15 1 1 A 74 74 GLN CB C 74 29.605 32.324 -2.719 1
1 747 . 15 1 1 A 74 74 GLN N N 74 119.866 122.871 -3.005 1
1 749 . 15 1 1 A 75 75 SER H H 75 8.432 8.833 -0.401 1
1 750 . 15 1 1 A 75 75 SER HA H 75 4.524 4.891 -0.367 1
1 753 . 15 1 1 A 75 75 SER C C 75 174.586 173.509 1.077 1
1 754 . 15 1 1 A 75 75 SER CA C 75 58.513 57.063 1.450 1
1 755 . 15 1 1 A 75 75 SER CB C 75 64.061 65.803 -1.742 1
1 756 . 15 1 1 A 75 75 SER N N 75 117.073 119.322 -2.249 1
1 757 . 15 1 1 A 76 76 GLY H H 76 8.244 8.473 -0.229 1
1 758 . 15 1 1 A 76 76 GLY HA2 H 76 4.171 3.971 0.200 1
1 759 . 15 1 1 A 76 76 GLY HA3 H 76 4.102 3.972 0.130 1
1 760 . 15 1 1 A 76 76 GLY C C 76 171.842 174.095 -2.253 1
1 761 . 15 1 1 A 76 76 GLY CA C 76 44.617 46.808 -2.191 1
1 762 . 15 1 1 A 76 76 GLY N N 76 110.727 113.099 -2.372 1
1 763 . 15 1 1 A 77 77 PRO HA H 77 4.494 4.685 -0.191 1
1 770 . 15 1 1 A 77 77 PRO C C 77 177.476 175.941 1.535 1
1 771 . 15 1 1 A 77 77 PRO CA C 77 63.380 62.537 0.843 1
1 772 . 15 1 1 A 77 77 PRO CB C 77 32.231 33.527 -1.296 1
1 775 . 15 1 1 A 78 78 SER H H 78 8.526 8.322 0.204 1
1 776 . 15 1 1 A 78 78 SER HA H 78 4.514 4.954 -0.440 1
1 779 . 15 1 1 A 78 78 SER C C 78 174.756 174.104 0.652 1
1 780 . 15 1 1 A 78 78 SER CA C 78 58.513 57.117 1.396 1
1 781 . 15 1 1 A 78 78 SER CB C 78 63.896 66.520 -2.624 1
1 782 . 15 1 1 A 78 78 SER N N 78 116.438 114.213 2.225 1
1 783 . 15 1 1 A 79 79 SER H H 79 8.329 8.350 -0.021 1
1 784 . 15 1 1 A 79 79 SER HA H 79 4.502 4.624 -0.122 1
1 787 . 15 1 1 A 79 79 SER C C 79 173.954 174.680 -0.726 1
1 788 . 15 1 1 A 79 79 SER CA C 79 58.477 58.626 -0.149 1
1 789 . 15 1 1 A 79 79 SER CB C 79 64.019 64.557 -0.538 1
1 790 . 15 1 1 A 79 79 SER N N 79 117.859 114.847 3.012 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.978 4.236 -0.258 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.978 4.236 -0.258 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.149 172.156 1.993 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.393 44.979 0.414 1
1 5 . 16 1 1 A 8 8 ARG H H 8 8.135 8.748 -0.613 1
1 6 . 16 1 1 A 8 8 ARG C C 8 176.480 176.006 0.474 1
1 7 . 16 1 1 A 8 8 ARG CA C 8 56.589 54.261 2.328 1
1 8 . 16 1 1 A 8 8 ARG CB C 8 30.686 32.762 -2.076 1
1 11 . 16 1 1 A 8 8 ARG N N 8 120.720 124.924 -4.204 1
1 12 . 16 1 1 A 9 9 ARG H H 9 8.471 8.727 -0.256 1
1 13 . 16 1 1 A 9 9 ARG HA H 9 4.288 4.353 -0.065 1
1 14 . 16 1 1 A 9 9 ARG C C 9 176.504 176.701 -0.197 1
1 15 . 16 1 1 A 9 9 ARG CA C 9 56.432 56.616 -0.184 1
1 16 . 16 1 1 A 9 9 ARG CB C 9 30.466 31.376 -0.910 1
1 17 . 16 1 1 A 9 9 ARG N N 9 122.487 124.774 -2.287 1
1 18 . 16 1 1 A 13 13 THR HA H 13 4.365 4.388 -0.023 1
1 23 . 16 1 1 A 13 13 THR C C 13 173.954 172.817 1.137 1
1 24 . 16 1 1 A 13 13 THR CA C 13 61.440 61.290 0.150 1
1 25 . 16 1 1 A 13 13 THR CB C 13 70.210 67.603 2.607 1
1 27 . 16 1 1 A 14 14 PHE H H 14 8.297 7.558 0.739 1
1 28 . 16 1 1 A 14 14 PHE HA H 14 4.941 5.056 -0.115 1
1 36 . 16 1 1 A 14 14 PHE C C 14 176.650 174.270 2.380 1
1 37 . 16 1 1 A 14 14 PHE CA C 14 57.077 56.502 0.575 1
1 38 . 16 1 1 A 14 14 PHE CB C 14 41.503 40.566 0.937 1
1 44 . 16 1 1 A 14 14 PHE N N 14 121.677 120.878 0.799 1
1 45 . 16 1 1 A 15 15 THR H H 15 9.009 8.853 0.156 1
1 46 . 16 1 1 A 15 15 THR HA H 15 4.493 4.701 -0.208 1
1 51 . 16 1 1 A 15 15 THR C C 15 175.314 175.233 0.081 1
1 52 . 16 1 1 A 15 15 THR CA C 15 60.359 60.814 -0.455 1
1 53 . 16 1 1 A 15 15 THR CB C 15 70.902 70.120 0.782 1
1 55 . 16 1 1 A 15 15 THR N N 15 113.381 119.310 -5.929 1
1 56 . 16 1 1 A 16 16 ARG H H 16 8.882 9.036 -0.154 1
1 57 . 16 1 1 A 16 16 ARG HA H 16 3.986 3.993 -0.007 1
1 64 . 16 1 1 A 16 16 ARG C C 16 177.670 177.981 -0.311 1
1 65 . 16 1 1 A 16 16 ARG CA C 16 59.042 60.031 -0.989 1
1 66 . 16 1 1 A 16 16 ARG CB C 16 30.100 29.840 0.260 1
1 69 . 16 1 1 A 16 16 ARG N N 16 122.206 126.957 -4.751 1
1 70 . 16 1 1 A 17 17 ALA H H 17 8.251 8.159 0.092 1
1 71 . 16 1 1 A 17 17 ALA HA H 17 4.159 4.043 0.116 1
1 75 . 16 1 1 A 17 17 ALA C C 17 181.386 180.323 1.063 1
1 76 . 16 1 1 A 17 17 ALA CA C 17 54.986 55.437 -0.451 1
1 77 . 16 1 1 A 17 17 ALA CB C 17 18.333 18.401 -0.068 1
1 78 . 16 1 1 A 17 17 ALA N N 17 119.149 120.891 -1.742 1
1 79 . 16 1 1 A 18 18 GLN H H 18 7.533 8.316 -0.783 1
1 80 . 16 1 1 A 18 18 GLN HA H 18 3.858 4.041 -0.183 1
1 87 . 16 1 1 A 18 18 GLN C C 18 177.986 178.674 -0.688 1
1 88 . 16 1 1 A 18 18 GLN CA C 18 58.790 58.832 -0.042 1
1 89 . 16 1 1 A 18 18 GLN CB C 18 28.603 28.617 -0.014 1
1 91 . 16 1 1 A 18 18 GLN N N 18 116.295 117.357 -1.062 1
1 93 . 16 1 1 A 19 19 LEU H H 19 8.417 8.372 0.045 1
1 94 . 16 1 1 A 19 19 LEU HA H 19 3.547 3.870 -0.323 1
1 104 . 16 1 1 A 19 19 LEU C C 19 178.617 178.109 0.508 1
1 105 . 16 1 1 A 19 19 LEU CA C 19 57.745 57.711 0.034 1
1 106 . 16 1 1 A 19 19 LEU CB C 19 41.584 41.578 0.006 1
1 110 . 16 1 1 A 19 19 LEU N N 19 118.955 120.313 -1.358 1
1 111 . 16 1 1 A 20 20 ASP H H 20 8.537 8.411 0.126 1
1 112 . 16 1 1 A 20 20 ASP HA H 20 4.291 4.335 -0.044 1
1 115 . 16 1 1 A 20 20 ASP C C 20 179.783 177.806 1.977 1
1 116 . 16 1 1 A 20 20 ASP CA C 20 57.666 56.817 0.849 1
1 117 . 16 1 1 A 20 20 ASP CB C 20 39.965 41.354 -1.389 1
1 118 . 16 1 1 A 20 20 ASP N N 20 118.356 118.398 -0.042 1
1 119 . 16 1 1 A 21 21 VAL H H 21 7.006 6.984 0.022 1
1 120 . 16 1 1 A 21 21 VAL HA H 21 3.667 3.660 0.007 1
1 128 . 16 1 1 A 21 21 VAL C C 21 178.836 177.844 0.992 1
1 129 . 16 1 1 A 21 21 VAL CA C 21 66.062 66.062 0.000 1
1 130 . 16 1 1 A 21 21 VAL CB C 21 32.006 31.647 0.359 1
1 133 . 16 1 1 A 21 21 VAL N N 21 120.507 118.786 1.721 1
1 134 . 16 1 1 A 22 22 LEU H H 22 7.638 7.846 -0.208 1
1 135 . 16 1 1 A 22 22 LEU HA H 22 3.557 3.660 -0.103 1
1 145 . 16 1 1 A 22 22 LEU C C 22 178.277 178.824 -0.547 1
1 146 . 16 1 1 A 22 22 LEU CA C 22 58.595 57.911 0.684 1
1 147 . 16 1 1 A 22 22 LEU CB C 22 38.402 40.514 -2.112 1
1 151 . 16 1 1 A 22 22 LEU N N 22 122.874 119.579 3.295 1
1 152 . 16 1 1 A 23 23 GLU H H 23 8.880 7.854 1.026 1
1 153 . 16 1 1 A 23 23 GLU HA H 23 4.162 4.060 0.102 1
1 157 . 16 1 1 A 23 23 GLU C C 23 180.123 178.788 1.335 1
1 158 . 16 1 1 A 23 23 GLU CA C 23 59.182 58.952 0.230 1
1 159 . 16 1 1 A 23 23 GLU CB C 23 29.111 29.770 -0.659 1
1 161 . 16 1 1 A 23 23 GLU N N 23 117.314 117.513 -0.199 1
1 162 . 16 1 1 A 24 24 ALA H H 24 7.614 7.650 -0.036 1
1 163 . 16 1 1 A 24 24 ALA HA H 24 4.273 4.095 0.178 1
1 167 . 16 1 1 A 24 24 ALA C C 24 180.560 179.451 1.109 1
1 168 . 16 1 1 A 24 24 ALA CA C 24 55.023 54.999 0.024 1
1 169 . 16 1 1 A 24 24 ALA CB C 24 17.775 18.697 -0.922 1
1 170 . 16 1 1 A 24 24 ALA N N 24 122.032 122.368 -0.336 1
1 171 . 16 1 1 A 25 25 LEU H H 25 7.673 7.856 -0.183 1
1 172 . 16 1 1 A 25 25 LEU HA H 25 4.507 4.192 0.315 1
1 182 . 16 1 1 A 25 25 LEU C C 25 177.694 178.772 -1.078 1
1 183 . 16 1 1 A 25 25 LEU CA C 25 57.913 57.471 0.442 1
1 184 . 16 1 1 A 25 25 LEU CB C 25 40.753 41.988 -1.235 1
1 188 . 16 1 1 A 25 25 LEU N N 25 120.067 119.585 0.482 1
1 189 . 16 1 1 A 26 26 PHE H H 26 8.839 8.466 0.373 1
1 190 . 16 1 1 A 26 26 PHE HA H 26 4.765 4.388 0.377 1
1 198 . 16 1 1 A 26 26 PHE C C 26 175.800 177.656 -1.856 1
1 199 . 16 1 1 A 26 26 PHE CA C 26 61.017 60.221 0.796 1
1 200 . 16 1 1 A 26 26 PHE CB C 26 39.167 39.264 -0.097 1
1 206 . 16 1 1 A 26 26 PHE N N 26 121.428 120.025 1.403 1
1 207 . 16 1 1 A 27 27 ALA H H 27 7.825 8.228 -0.403 1
1 208 . 16 1 1 A 27 27 ALA HA H 27 4.062 4.067 -0.005 1
1 212 . 16 1 1 A 27 27 ALA C C 27 179.273 178.743 0.530 1
1 213 . 16 1 1 A 27 27 ALA CA C 27 53.975 54.017 -0.042 1
1 214 . 16 1 1 A 27 27 ALA CB C 27 18.276 18.628 -0.352 1
1 215 . 16 1 1 A 27 27 ALA N N 27 116.175 121.007 -4.832 1
1 216 . 16 1 1 A 28 28 LYS H H 28 7.618 7.815 -0.197 1
1 217 . 16 1 1 A 28 28 LYS HA H 28 4.251 4.369 -0.118 1
1 225 . 16 1 1 A 28 28 LYS C C 28 177.354 176.145 1.209 1
1 226 . 16 1 1 A 28 28 LYS CA C 28 58.122 57.843 0.279 1
1 227 . 16 1 1 A 28 28 LYS CB C 28 33.315 33.484 -0.169 1
1 231 . 16 1 1 A 28 28 LYS N N 28 118.586 113.879 4.707 1
1 232 . 16 1 1 A 29 29 THR H H 29 8.820 7.913 0.907 1
1 233 . 16 1 1 A 29 29 THR HA H 29 4.410 4.701 -0.291 1
1 238 . 16 1 1 A 29 29 THR C C 29 170.360 174.556 -4.196 1
1 239 . 16 1 1 A 29 29 THR CA C 29 59.749 61.443 -1.694 1
1 240 . 16 1 1 A 29 29 THR CB C 29 68.972 70.580 -1.608 1
1 242 . 16 1 1 A 29 29 THR N N 29 116.094 113.200 2.894 1
1 243 . 16 1 1 A 30 30 ARG H H 30 8.203 8.765 -0.562 1
1 244 . 16 1 1 A 30 30 ARG HA H 30 3.957 4.435 -0.478 1
1 251 . 16 1 1 A 30 30 ARG C C 30 175.120 176.052 -0.932 1
1 252 . 16 1 1 A 30 30 ARG CA C 30 56.750 59.655 -2.905 1
1 253 . 16 1 1 A 30 30 ARG CB C 30 30.444 30.384 0.060 1
1 256 . 16 1 1 A 30 30 ARG N N 30 122.783 127.699 -4.916 1
1 257 . 16 1 1 A 31 31 TYR H H 31 8.002 8.189 -0.187 1
1 258 . 16 1 1 A 31 31 TYR HA H 31 4.686 5.178 -0.492 1
1 265 . 16 1 1 A 31 31 TYR C C 31 172.910 173.075 -0.165 1
1 266 . 16 1 1 A 31 31 TYR CA C 31 55.303 55.008 0.295 1
1 267 . 16 1 1 A 31 31 TYR CB C 31 39.057 38.765 0.292 1
1 272 . 16 1 1 A 31 31 TYR N N 31 114.710 117.284 -2.574 1
1 273 . 16 1 1 A 32 32 PRO HA H 32 4.427 4.667 -0.240 1
1 280 . 16 1 1 A 32 32 PRO C C 32 177.257 175.820 1.437 1
1 281 . 16 1 1 A 32 32 PRO CA C 32 62.838 62.628 0.210 1
1 282 . 16 1 1 A 32 32 PRO CB C 32 32.082 32.564 -0.482 1
1 285 . 16 1 1 A 33 33 ASP H H 33 7.804 8.601 -0.797 1
1 286 . 16 1 1 A 33 33 ASP HA H 33 4.509 5.041 -0.532 1
1 289 . 16 1 1 A 33 33 ASP C C 33 176.286 177.904 -1.618 1
1 290 . 16 1 1 A 33 33 ASP CA C 33 52.894 52.842 0.052 1
1 291 . 16 1 1 A 33 33 ASP CB C 33 41.475 42.512 -1.037 1
1 292 . 16 1 1 A 33 33 ASP N N 33 123.553 120.514 3.039 1
1 293 . 16 1 1 A 34 34 ILE H H 34 8.429 8.608 -0.179 1
1 294 . 16 1 1 A 34 34 ILE HA H 34 3.700 3.812 -0.112 1
1 304 . 16 1 1 A 34 34 ILE C C 34 175.412 177.590 -2.178 1
1 305 . 16 1 1 A 34 34 ILE CA C 34 63.602 64.286 -0.684 1
1 306 . 16 1 1 A 34 34 ILE CB C 34 37.846 37.605 0.241 1
1 310 . 16 1 1 A 34 34 ILE N N 34 117.269 125.671 -8.402 1
1 311 . 16 1 1 A 35 35 PHE H H 35 7.086 7.967 -0.881 1
1 312 . 16 1 1 A 35 35 PHE HA H 35 4.287 4.370 -0.083 1
1 320 . 16 1 1 A 35 35 PHE C C 35 179.589 178.334 1.255 1
1 321 . 16 1 1 A 35 35 PHE CA C 35 60.676 60.414 0.262 1
1 322 . 16 1 1 A 35 35 PHE CB C 35 37.731 38.521 -0.790 1
1 328 . 16 1 1 A 35 35 PHE N N 35 121.852 120.714 1.138 1
1 329 . 16 1 1 A 36 36 MET H H 36 8.559 8.278 0.281 1
1 330 . 16 1 1 A 36 36 MET HA H 36 4.216 4.033 0.183 1
1 338 . 16 1 1 A 36 36 MET C C 36 179.904 178.693 1.211 1
1 339 . 16 1 1 A 36 36 MET CA C 36 58.849 59.149 -0.300 1
1 340 . 16 1 1 A 36 36 MET CB C 36 33.757 32.548 1.209 1
1 343 . 16 1 1 A 36 36 MET N N 36 120.502 117.552 2.950 1
1 344 . 16 1 1 A 37 37 ARG H H 37 8.495 8.140 0.355 1
1 345 . 16 1 1 A 37 37 ARG HA H 37 3.839 3.930 -0.091 1
1 352 . 16 1 1 A 37 37 ARG C C 37 178.326 179.243 -0.917 1
1 353 . 16 1 1 A 37 37 ARG CA C 37 60.738 59.734 1.004 1
1 354 . 16 1 1 A 37 37 ARG CB C 37 31.601 29.964 1.637 1
1 357 . 16 1 1 A 37 37 ARG N N 37 117.379 118.889 -1.510 1
1 358 . 16 1 1 A 38 38 GLU H H 38 8.793 8.240 0.553 1
1 359 . 16 1 1 A 38 38 GLU HA H 38 4.028 4.073 -0.045 1
1 364 . 16 1 1 A 38 38 GLU C C 38 179.079 179.311 -0.232 1
1 365 . 16 1 1 A 38 38 GLU CA C 38 59.682 59.206 0.476 1
1 366 . 16 1 1 A 38 38 GLU CB C 38 29.555 29.182 0.373 1
1 368 . 16 1 1 A 38 38 GLU N N 38 119.411 119.829 -0.418 1
1 369 . 16 1 1 A 39 39 GLU H H 39 7.909 8.236 -0.327 1
1 370 . 16 1 1 A 39 39 GLU HA H 39 4.090 4.035 0.055 1
1 375 . 16 1 1 A 39 39 GLU C C 39 179.662 179.145 0.517 1
1 376 . 16 1 1 A 39 39 GLU CA C 39 59.776 59.367 0.409 1
1 377 . 16 1 1 A 39 39 GLU CB C 39 29.688 29.525 0.163 1
1 379 . 16 1 1 A 39 39 GLU N N 39 119.625 120.465 -0.840 1
1 380 . 16 1 1 A 40 40 VAL H H 40 7.732 8.003 -0.271 1
1 381 . 16 1 1 A 40 40 VAL HA H 40 3.836 3.581 0.255 1
1 389 . 16 1 1 A 40 40 VAL C C 40 176.674 178.164 -1.490 1
1 390 . 16 1 1 A 40 40 VAL CA C 40 65.856 66.763 -0.907 1
1 391 . 16 1 1 A 40 40 VAL CB C 40 31.416 31.521 -0.105 1
1 394 . 16 1 1 A 40 40 VAL N N 40 118.226 120.278 -2.052 1
1 395 . 16 1 1 A 41 41 ALA H H 41 8.405 8.209 0.196 1
1 396 . 16 1 1 A 41 41 ALA HA H 41 3.843 4.033 -0.190 1
1 400 . 16 1 1 A 41 41 ALA C C 41 179.856 178.714 1.142 1
1 401 . 16 1 1 A 41 41 ALA CA C 41 56.009 54.407 1.602 1
1 402 . 16 1 1 A 41 41 ALA CB C 41 17.646 18.556 -0.910 1
1 403 . 16 1 1 A 41 41 ALA N N 41 124.532 121.035 3.497 1
1 404 . 16 1 1 A 42 42 LEU H H 42 7.711 7.559 0.152 1
1 405 . 16 1 1 A 42 42 LEU HA H 42 4.199 4.261 -0.062 1
1 415 . 16 1 1 A 42 42 LEU C C 42 180.317 178.881 1.436 1
1 416 . 16 1 1 A 42 42 LEU CA C 42 57.484 55.618 1.866 1
1 417 . 16 1 1 A 42 42 LEU CB C 42 42.346 42.271 0.075 1
1 421 . 16 1 1 A 42 42 LEU N N 42 116.217 117.512 -1.295 1
1 422 . 16 1 1 A 43 43 LYS H H 43 7.615 8.310 -0.695 1
1 423 . 16 1 1 A 43 43 LYS HA H 43 4.133 4.119 0.014 1
1 432 . 16 1 1 A 43 43 LYS C C 43 178.933 179.239 -0.306 1
1 433 . 16 1 1 A 43 43 LYS CA C 43 59.269 59.100 0.169 1
1 434 . 16 1 1 A 43 43 LYS CB C 43 33.232 32.679 0.553 1
1 438 . 16 1 1 A 43 43 LYS N N 43 118.909 120.546 -1.637 1
1 439 . 16 1 1 A 44 44 ILE H H 44 8.057 7.985 0.072 1
1 440 . 16 1 1 A 44 44 ILE HA H 44 4.638 4.064 0.574 1
1 450 . 16 1 1 A 44 44 ILE C C 44 174.853 176.635 -1.782 1
1 451 . 16 1 1 A 44 44 ILE CA C 44 60.676 62.012 -1.336 1
1 452 . 16 1 1 A 44 44 ILE CB C 44 38.258 37.797 0.461 1
1 456 . 16 1 1 A 44 44 ILE N N 44 108.541 115.376 -6.835 1
1 457 . 16 1 1 A 45 45 ASN H H 45 7.885 8.214 -0.329 1
1 458 . 16 1 1 A 45 45 ASN HA H 45 4.400 4.351 0.049 1
1 463 . 16 1 1 A 45 45 ASN C C 45 173.857 173.828 0.029 1
1 464 . 16 1 1 A 45 45 ASN CA C 45 54.104 54.162 -0.058 1
1 465 . 16 1 1 A 45 45 ASN CB C 45 37.082 37.217 -0.135 1
1 466 . 16 1 1 A 45 45 ASN N N 45 119.396 120.388 -0.992 1
1 468 . 16 1 1 A 46 46 LEU H H 46 8.195 7.501 0.694 1
1 469 . 16 1 1 A 46 46 LEU HA H 46 4.961 4.797 0.164 1
1 479 . 16 1 1 A 46 46 LEU CA C 46 52.101 51.438 0.663 1
1 480 . 16 1 1 A 46 46 LEU CB C 46 46.563 44.501 2.062 1
1 484 . 16 1 1 A 46 46 LEU N N 46 119.142 118.941 0.201 1
1 485 . 16 1 1 A 47 47 PRO HA H 47 4.547 4.663 -0.116 1
1 492 . 16 1 1 A 47 47 PRO C C 47 178.350 177.834 0.516 1
1 493 . 16 1 1 A 47 47 PRO CA C 47 62.434 62.821 -0.387 1
1 494 . 16 1 1 A 47 47 PRO CB C 47 32.295 31.893 0.402 1
1 497 . 16 1 1 A 48 48 GLU H H 48 9.242 9.058 0.184 1
1 498 . 16 1 1 A 48 48 GLU HA H 48 3.689 3.990 -0.301 1
1 503 . 16 1 1 A 48 48 GLU C C 48 178.326 178.186 0.140 1
1 504 . 16 1 1 A 48 48 GLU CA C 48 61.058 59.626 1.432 1
1 505 . 16 1 1 A 48 48 GLU CB C 48 28.537 29.469 -0.932 1
1 507 . 16 1 1 A 48 48 GLU N N 48 125.487 125.124 0.363 1
1 508 . 16 1 1 A 49 49 SER H H 49 8.653 8.139 0.514 1
1 509 . 16 1 1 A 49 49 SER HA H 49 4.058 4.149 -0.091 1
1 512 . 16 1 1 A 49 49 SER C C 49 177.549 177.027 0.522 1
1 513 . 16 1 1 A 49 49 SER CA C 49 61.266 61.791 -0.525 1
1 514 . 16 1 1 A 49 49 SER CB C 49 61.658 62.845 -1.187 1
1 515 . 16 1 1 A 49 49 SER N N 49 113.467 117.820 -4.353 1
1 516 . 16 1 1 A 50 50 ARG H H 50 7.489 7.816 -0.327 1
1 517 . 16 1 1 A 50 50 ARG HA H 50 4.344 4.277 0.067 1
1 524 . 16 1 1 A 50 50 ARG C C 50 179.467 179.142 0.325 1
1 525 . 16 1 1 A 50 50 ARG CA C 50 57.575 59.176 -1.601 1
1 526 . 16 1 1 A 50 50 ARG CB C 50 29.523 29.801 -0.278 1
1 529 . 16 1 1 A 50 50 ARG N N 50 120.329 121.881 -1.552 1
1 530 . 16 1 1 A 51 51 VAL H H 51 7.598 8.017 -0.419 1
1 531 . 16 1 1 A 51 51 VAL HA H 51 3.733 3.644 0.089 1
1 539 . 16 1 1 A 51 51 VAL C C 51 177.767 178.209 -0.442 1
1 540 . 16 1 1 A 51 51 VAL CA C 51 67.082 66.855 0.227 1
1 541 . 16 1 1 A 51 51 VAL CB C 51 31.945 31.538 0.407 1
1 544 . 16 1 1 A 51 51 VAL N N 51 121.456 120.516 0.940 1
1 545 . 16 1 1 A 52 52 GLN H H 52 8.579 8.174 0.405 1
1 546 . 16 1 1 A 52 52 GLN HA H 52 4.338 4.041 0.297 1
1 553 . 16 1 1 A 52 52 GLN C C 52 178.836 178.159 0.677 1
1 554 . 16 1 1 A 52 52 GLN CA C 52 60.257 58.994 1.263 1
1 555 . 16 1 1 A 52 52 GLN CB C 52 28.377 28.753 -0.376 1
1 557 . 16 1 1 A 52 52 GLN N N 52 119.679 119.552 0.127 1
1 559 . 16 1 1 A 53 53 VAL H H 53 7.777 8.030 -0.253 1
1 560 . 16 1 1 A 53 53 VAL HA H 53 3.667 3.701 -0.034 1
1 568 . 16 1 1 A 53 53 VAL C C 53 177.379 178.020 -0.641 1
1 569 . 16 1 1 A 53 53 VAL CA C 53 67.004 66.585 0.419 1
1 570 . 16 1 1 A 53 53 VAL CB C 53 32.237 31.798 0.439 1
1 573 . 16 1 1 A 53 53 VAL N N 53 119.215 119.315 -0.100 1
1 574 . 16 1 1 A 54 54 TRP H H 54 8.177 8.444 -0.267 1
1 575 . 16 1 1 A 54 54 TRP HA H 54 4.074 4.126 -0.052 1
1 584 . 16 1 1 A 54 54 TRP C C 54 179.589 178.010 1.579 1
1 585 . 16 1 1 A 54 54 TRP CA C 54 63.273 60.944 2.329 1
1 586 . 16 1 1 A 54 54 TRP CB C 54 28.458 29.711 -1.253 1
1 592 . 16 1 1 A 54 54 TRP N N 54 120.980 121.072 -0.092 1
1 594 . 16 1 1 A 55 55 PHE H H 55 8.755 8.494 0.261 1
1 595 . 16 1 1 A 55 55 PHE HA H 55 3.626 4.070 -0.444 1
1 603 . 16 1 1 A 55 55 PHE C C 55 177.937 178.060 -0.123 1
1 604 . 16 1 1 A 55 55 PHE CA C 55 64.064 61.289 2.775 1
1 605 . 16 1 1 A 55 55 PHE CB C 55 39.579 38.423 1.156 1
1 611 . 16 1 1 A 55 55 PHE N N 55 118.177 116.791 1.386 1
1 612 . 16 1 1 A 56 56 LYS H H 56 8.169 8.780 -0.611 1
1 613 . 16 1 1 A 56 56 LYS HA H 56 3.914 4.053 -0.139 1
1 620 . 16 1 1 A 56 56 LYS C C 56 179.929 179.385 0.544 1
1 621 . 16 1 1 A 56 56 LYS CA C 56 60.488 59.396 1.092 1
1 622 . 16 1 1 A 56 56 LYS CB C 56 32.243 31.850 0.393 1
1 626 . 16 1 1 A 56 56 LYS N N 56 119.649 121.912 -2.263 1
1 627 . 16 1 1 A 57 57 ASN H H 57 8.238 8.199 0.039 1
1 628 . 16 1 1 A 57 57 ASN HA H 57 4.345 4.410 -0.065 1
1 633 . 16 1 1 A 57 57 ASN C C 57 177.379 177.603 -0.224 1
1 634 . 16 1 1 A 57 57 ASN CA C 57 55.515 55.614 -0.099 1
1 635 . 16 1 1 A 57 57 ASN CB C 57 37.887 38.290 -0.403 1
1 636 . 16 1 1 A 57 57 ASN N N 57 118.635 117.701 0.934 1
1 638 . 16 1 1 A 58 58 ARG H H 58 8.347 7.302 1.045 1
1 639 . 16 1 1 A 58 58 ARG HA H 58 3.419 3.797 -0.378 1
1 646 . 16 1 1 A 58 58 ARG C C 58 179.637 179.061 0.576 1
1 647 . 16 1 1 A 58 58 ARG CA C 58 56.820 59.125 -2.305 1
1 648 . 16 1 1 A 58 58 ARG CB C 58 28.359 29.539 -1.180 1
1 651 . 16 1 1 A 58 58 ARG N N 58 123.884 119.005 4.879 1
1 652 . 16 1 1 A 59 59 ARG H H 59 8.184 7.775 0.409 1
1 653 . 16 1 1 A 59 59 ARG HA H 59 4.124 4.108 0.016 1
1 659 . 16 1 1 A 59 59 ARG C C 59 178.836 178.454 0.382 1
1 660 . 16 1 1 A 59 59 ARG CA C 59 60.478 59.071 1.407 1
1 661 . 16 1 1 A 59 59 ARG CB C 59 31.667 30.139 1.528 1
1 664 . 16 1 1 A 59 59 ARG N N 59 117.828 119.349 -1.521 1
1 665 . 16 1 1 A 60 60 ALA H H 60 7.407 7.675 -0.268 1
1 666 . 16 1 1 A 60 60 ALA HA H 60 4.183 4.059 0.124 1
1 670 . 16 1 1 A 60 60 ALA C C 60 179.370 179.232 0.138 1
1 671 . 16 1 1 A 60 60 ALA CA C 60 54.509 55.291 -0.782 1
1 672 . 16 1 1 A 60 60 ALA CB C 60 18.207 18.463 -0.256 1
1 673 . 16 1 1 A 60 60 ALA N N 60 121.238 121.945 -0.707 1
1 674 . 16 1 1 A 61 61 LYS H H 61 7.564 7.805 -0.241 1
1 675 . 16 1 1 A 61 61 LYS HA H 61 4.143 3.915 0.228 1
1 684 . 16 1 1 A 61 61 LYS C C 61 177.767 178.427 -0.660 1
1 685 . 16 1 1 A 61 61 LYS CA C 61 57.671 59.753 -2.082 1
1 686 . 16 1 1 A 61 61 LYS CB C 61 32.490 32.317 0.173 1
1 690 . 16 1 1 A 61 61 LYS N N 61 118.322 118.173 0.149 1
1 691 . 16 1 1 A 62 62 CYS H H 62 7.725 7.744 -0.019 1
1 692 . 16 1 1 A 62 62 CYS HA H 62 4.401 3.971 0.430 1
1 695 . 16 1 1 A 62 62 CYS C C 62 175.752 176.591 -0.839 1
1 696 . 16 1 1 A 62 62 CYS CA C 62 60.540 62.865 -2.325 1
1 697 . 16 1 1 A 62 62 CYS CB C 62 27.654 26.429 1.225 1
1 698 . 16 1 1 A 62 62 CYS N N 62 117.981 118.025 -0.044 1
1 699 . 16 1 1 A 63 63 ARG H H 63 8.044 8.164 -0.120 1
1 700 . 16 1 1 A 63 63 ARG HA H 63 4.273 3.969 0.304 1
1 705 . 16 1 1 A 63 63 ARG C C 63 177.233 178.533 -1.300 1
1 706 . 16 1 1 A 63 63 ARG CA C 63 57.631 59.601 -1.970 1
1 707 . 16 1 1 A 63 63 ARG CB C 63 30.347 29.837 0.510 1
1 710 . 16 1 1 A 63 63 ARG N N 63 121.313 120.534 0.779 1
1 711 . 16 1 1 A 64 64 GLN H H 64 8.217 7.900 0.317 1
1 712 . 16 1 1 A 64 64 GLN HA H 64 4.262 4.006 0.256 1
1 718 . 16 1 1 A 64 64 GLN C C 64 176.942 175.627 1.315 1
1 719 . 16 1 1 A 64 64 GLN CA C 64 57.172 58.959 -1.787 1
1 720 . 16 1 1 A 64 64 GLN CB C 64 29.129 28.808 0.321 1
1 722 . 16 1 1 A 64 64 GLN N N 64 120.369 118.686 1.683 1
1 724 . 16 1 1 A 71 71 ASN CB C 71 37.967 42.850 -4.883 1
1 726 . 16 1 1 A 72 72 GLY HA2 H 72 3.984 4.166 -0.182 1
1 727 . 16 1 1 A 72 72 GLY HA3 H 72 3.984 4.167 -0.183 1
1 728 . 16 1 1 A 72 72 GLY C C 72 174.877 172.285 2.592 1
1 729 . 16 1 1 A 72 72 GLY CA C 72 45.604 45.823 -0.219 1
1 730 . 16 1 1 A 73 73 GLY H H 73 8.288 8.382 -0.094 1
1 731 . 16 1 1 A 73 73 GLY HA2 H 73 3.986 4.291 -0.305 1
1 732 . 16 1 1 A 73 73 GLY HA3 H 73 3.986 4.293 -0.307 1
1 733 . 16 1 1 A 73 73 GLY C C 73 174.319 171.692 2.627 1
1 734 . 16 1 1 A 73 73 GLY CA C 73 45.322 45.762 -0.440 1
1 735 . 16 1 1 A 73 73 GLY N N 73 108.597 107.525 1.072 1
1 736 . 16 1 1 A 74 74 GLN H H 74 8.281 8.508 -0.227 1
1 737 . 16 1 1 A 74 74 GLN HA H 74 4.413 5.146 -0.733 1
1 743 . 16 1 1 A 74 74 GLN C C 74 176.262 174.874 1.388 1
1 744 . 16 1 1 A 74 74 GLN CA C 74 55.973 54.621 1.352 1
1 745 . 16 1 1 A 74 74 GLN CB C 74 29.605 31.551 -1.946 1
1 747 . 16 1 1 A 74 74 GLN N N 74 119.866 121.299 -1.433 1
1 749 . 16 1 1 A 75 75 SER H H 75 8.432 8.723 -0.291 1
1 750 . 16 1 1 A 75 75 SER HA H 75 4.524 5.115 -0.591 1
1 753 . 16 1 1 A 75 75 SER C C 75 174.586 173.304 1.282 1
1 754 . 16 1 1 A 75 75 SER CA C 75 58.513 56.503 2.010 1
1 755 . 16 1 1 A 75 75 SER CB C 75 64.061 66.830 -2.769 1
1 756 . 16 1 1 A 75 75 SER N N 75 117.073 119.842 -2.769 1
1 757 . 16 1 1 A 76 76 GLY H H 76 8.244 8.303 -0.059 1
1 758 . 16 1 1 A 76 76 GLY HA2 H 76 4.171 4.291 -0.120 1
1 759 . 16 1 1 A 76 76 GLY HA3 H 76 4.102 4.291 -0.189 1
1 760 . 16 1 1 A 76 76 GLY C C 76 171.842 171.897 -0.055 1
1 761 . 16 1 1 A 76 76 GLY CA C 76 44.617 45.589 -0.972 1
1 762 . 16 1 1 A 76 76 GLY N N 76 110.727 107.298 3.429 1
1 763 . 16 1 1 A 77 77 PRO HA H 77 4.494 4.661 -0.167 1
1 770 . 16 1 1 A 77 77 PRO C C 77 177.476 175.431 2.045 1
1 771 . 16 1 1 A 77 77 PRO CA C 77 63.380 62.512 0.868 1
1 772 . 16 1 1 A 77 77 PRO CB C 77 32.231 33.186 -0.955 1
1 775 . 16 1 1 A 78 78 SER H H 78 8.526 8.259 0.267 1
1 776 . 16 1 1 A 78 78 SER HA H 78 4.514 4.917 -0.403 1
1 779 . 16 1 1 A 78 78 SER C C 78 174.756 174.835 -0.079 1
1 780 . 16 1 1 A 78 78 SER CA C 78 58.513 57.156 1.357 1
1 781 . 16 1 1 A 78 78 SER CB C 78 63.896 66.721 -2.825 1
1 782 . 16 1 1 A 78 78 SER N N 78 116.438 116.914 -0.476 1
1 783 . 16 1 1 A 79 79 SER H H 79 8.329 8.599 -0.270 1
1 784 . 16 1 1 A 79 79 SER HA H 79 4.502 4.583 -0.081 1
1 787 . 16 1 1 A 79 79 SER C C 79 173.954 174.412 -0.458 1
1 788 . 16 1 1 A 79 79 SER CA C 79 58.477 59.068 -0.591 1
1 789 . 16 1 1 A 79 79 SER CB C 79 64.019 63.975 0.044 1
1 790 . 16 1 1 A 79 79 SER N N 79 117.859 115.073 2.786 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.978 3.963 0.015 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.978 3.964 0.014 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.149 174.622 -0.473 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.393 46.223 -0.830 1
1 5 . 17 1 1 A 8 8 ARG H H 8 8.135 8.313 -0.178 1
1 6 . 17 1 1 A 8 8 ARG C C 8 176.480 176.869 -0.389 1
1 7 . 17 1 1 A 8 8 ARG CA C 8 56.589 55.417 1.172 1
1 8 . 17 1 1 A 8 8 ARG CB C 8 30.686 31.138 -0.452 1
1 11 . 17 1 1 A 8 8 ARG N N 8 120.720 122.189 -1.469 1
1 12 . 17 1 1 A 9 9 ARG H H 9 8.471 8.818 -0.347 1
1 13 . 17 1 1 A 9 9 ARG HA H 9 4.288 4.022 0.266 1
1 14 . 17 1 1 A 9 9 ARG C C 9 176.504 175.593 0.911 1
1 15 . 17 1 1 A 9 9 ARG CA C 9 56.432 56.972 -0.540 1
1 16 . 17 1 1 A 9 9 ARG CB C 9 30.466 28.090 2.376 1
1 17 . 17 1 1 A 9 9 ARG N N 9 122.487 122.146 0.341 1
1 18 . 17 1 1 A 13 13 THR HA H 13 4.365 4.514 -0.149 1
1 23 . 17 1 1 A 13 13 THR C C 13 173.954 174.364 -0.410 1
1 24 . 17 1 1 A 13 13 THR CA C 13 61.440 62.104 -0.664 1
1 25 . 17 1 1 A 13 13 THR CB C 13 70.210 70.343 -0.133 1
1 27 . 17 1 1 A 14 14 PHE H H 14 8.297 8.092 0.205 1
1 28 . 17 1 1 A 14 14 PHE HA H 14 4.941 5.235 -0.294 1
1 36 . 17 1 1 A 14 14 PHE C C 14 176.650 175.341 1.309 1
1 37 . 17 1 1 A 14 14 PHE CA C 14 57.077 57.193 -0.116 1
1 38 . 17 1 1 A 14 14 PHE CB C 14 41.503 40.867 0.636 1
1 44 . 17 1 1 A 14 14 PHE N N 14 121.677 121.072 0.605 1
1 45 . 17 1 1 A 15 15 THR H H 15 9.009 8.355 0.654 1
1 46 . 17 1 1 A 15 15 THR HA H 15 4.493 4.689 -0.196 1
1 51 . 17 1 1 A 15 15 THR C C 15 175.314 175.505 -0.191 1
1 52 . 17 1 1 A 15 15 THR CA C 15 60.359 60.349 0.010 1
1 53 . 17 1 1 A 15 15 THR CB C 15 70.902 70.793 0.109 1
1 55 . 17 1 1 A 15 15 THR N N 15 113.381 116.549 -3.168 1
1 56 . 17 1 1 A 16 16 ARG H H 16 8.882 8.990 -0.108 1
1 57 . 17 1 1 A 16 16 ARG HA H 16 3.986 3.945 0.041 1
1 64 . 17 1 1 A 16 16 ARG C C 16 177.670 178.782 -1.112 1
1 65 . 17 1 1 A 16 16 ARG CA C 16 59.042 60.191 -1.149 1
1 66 . 17 1 1 A 16 16 ARG CB C 16 30.100 29.969 0.131 1
1 69 . 17 1 1 A 16 16 ARG N N 16 122.206 127.479 -5.273 1
1 70 . 17 1 1 A 17 17 ALA H H 17 8.251 8.150 0.101 1
1 71 . 17 1 1 A 17 17 ALA HA H 17 4.159 4.014 0.145 1
1 75 . 17 1 1 A 17 17 ALA C C 17 181.386 180.271 1.115 1
1 76 . 17 1 1 A 17 17 ALA CA C 17 54.986 55.417 -0.431 1
1 77 . 17 1 1 A 17 17 ALA CB C 17 18.333 18.438 -0.105 1
1 78 . 17 1 1 A 17 17 ALA N N 17 119.149 121.802 -2.653 1
1 79 . 17 1 1 A 18 18 GLN H H 18 7.533 8.294 -0.761 1
1 80 . 17 1 1 A 18 18 GLN HA H 18 3.858 3.988 -0.130 1
1 87 . 17 1 1 A 18 18 GLN C C 18 177.986 178.678 -0.692 1
1 88 . 17 1 1 A 18 18 GLN CA C 18 58.790 58.828 -0.038 1
1 89 . 17 1 1 A 18 18 GLN CB C 18 28.603 28.497 0.106 1
1 91 . 17 1 1 A 18 18 GLN N N 18 116.295 117.368 -1.073 1
1 93 . 17 1 1 A 19 19 LEU H H 19 8.417 8.274 0.143 1
1 94 . 17 1 1 A 19 19 LEU HA H 19 3.547 3.873 -0.326 1
1 104 . 17 1 1 A 19 19 LEU C C 19 178.617 178.566 0.051 1
1 105 . 17 1 1 A 19 19 LEU CA C 19 57.745 57.552 0.193 1
1 106 . 17 1 1 A 19 19 LEU CB C 19 41.584 41.523 0.061 1
1 110 . 17 1 1 A 19 19 LEU N N 19 118.955 120.313 -1.358 1
1 111 . 17 1 1 A 20 20 ASP H H 20 8.537 8.579 -0.042 1
1 112 . 17 1 1 A 20 20 ASP HA H 20 4.291 4.339 -0.048 1
1 115 . 17 1 1 A 20 20 ASP C C 20 179.783 178.615 1.168 1
1 116 . 17 1 1 A 20 20 ASP CA C 20 57.666 57.722 -0.056 1
1 117 . 17 1 1 A 20 20 ASP CB C 20 39.965 40.539 -0.574 1
1 118 . 17 1 1 A 20 20 ASP N N 20 118.356 119.521 -1.165 1
1 119 . 17 1 1 A 21 21 VAL H H 21 7.006 7.201 -0.195 1
1 120 . 17 1 1 A 21 21 VAL HA H 21 3.667 3.656 0.011 1
1 128 . 17 1 1 A 21 21 VAL C C 21 178.836 177.783 1.053 1
1 129 . 17 1 1 A 21 21 VAL CA C 21 66.062 66.095 -0.033 1
1 130 . 17 1 1 A 21 21 VAL CB C 21 32.006 31.723 0.283 1
1 133 . 17 1 1 A 21 21 VAL N N 21 120.507 120.356 0.151 1
1 134 . 17 1 1 A 22 22 LEU H H 22 7.638 7.745 -0.107 1
1 135 . 17 1 1 A 22 22 LEU HA H 22 3.557 3.479 0.078 1
1 145 . 17 1 1 A 22 22 LEU C C 22 178.277 178.947 -0.670 1
1 146 . 17 1 1 A 22 22 LEU CA C 22 58.595 57.621 0.974 1
1 147 . 17 1 1 A 22 22 LEU CB C 22 38.402 39.846 -1.444 1
1 151 . 17 1 1 A 22 22 LEU N N 22 122.874 119.206 3.668 1
1 152 . 17 1 1 A 23 23 GLU H H 23 8.880 8.165 0.715 1
1 153 . 17 1 1 A 23 23 GLU HA H 23 4.162 4.344 -0.182 1
1 157 . 17 1 1 A 23 23 GLU C C 23 180.123 178.792 1.331 1
1 158 . 17 1 1 A 23 23 GLU CA C 23 59.182 59.217 -0.035 1
1 159 . 17 1 1 A 23 23 GLU CB C 23 29.111 29.942 -0.831 1
1 161 . 17 1 1 A 23 23 GLU N N 23 117.314 117.666 -0.352 1
1 162 . 17 1 1 A 24 24 ALA H H 24 7.614 7.695 -0.081 1
1 163 . 17 1 1 A 24 24 ALA HA H 24 4.273 4.141 0.132 1
1 167 . 17 1 1 A 24 24 ALA C C 24 180.560 179.680 0.880 1
1 168 . 17 1 1 A 24 24 ALA CA C 24 55.023 55.160 -0.137 1
1 169 . 17 1 1 A 24 24 ALA CB C 24 17.775 18.542 -0.767 1
1 170 . 17 1 1 A 24 24 ALA N N 24 122.032 122.386 -0.354 1
1 171 . 17 1 1 A 25 25 LEU H H 25 7.673 8.024 -0.351 1
1 172 . 17 1 1 A 25 25 LEU HA H 25 4.507 4.208 0.299 1
1 182 . 17 1 1 A 25 25 LEU C C 25 177.694 178.922 -1.228 1
1 183 . 17 1 1 A 25 25 LEU CA C 25 57.913 57.601 0.312 1
1 184 . 17 1 1 A 25 25 LEU CB C 25 40.753 41.813 -1.060 1
1 188 . 17 1 1 A 25 25 LEU N N 25 120.067 119.821 0.246 1
1 189 . 17 1 1 A 26 26 PHE H H 26 8.839 8.342 0.497 1
1 190 . 17 1 1 A 26 26 PHE HA H 26 4.765 4.507 0.258 1
1 198 . 17 1 1 A 26 26 PHE C C 26 175.800 178.212 -2.412 1
1 199 . 17 1 1 A 26 26 PHE CA C 26 61.017 61.661 -0.644 1
1 200 . 17 1 1 A 26 26 PHE CB C 26 39.167 39.119 0.048 1
1 206 . 17 1 1 A 26 26 PHE N N 26 121.428 119.910 1.518 1
1 207 . 17 1 1 A 27 27 ALA H H 27 7.825 8.660 -0.835 1
1 208 . 17 1 1 A 27 27 ALA HA H 27 4.062 4.140 -0.078 1
1 212 . 17 1 1 A 27 27 ALA C C 27 179.273 179.307 -0.034 1
1 213 . 17 1 1 A 27 27 ALA CA C 27 53.975 54.900 -0.925 1
1 214 . 17 1 1 A 27 27 ALA CB C 27 18.276 18.480 -0.204 1
1 215 . 17 1 1 A 27 27 ALA N N 27 116.175 121.472 -5.297 1
1 216 . 17 1 1 A 28 28 LYS H H 28 7.618 7.373 0.245 1
1 217 . 17 1 1 A 28 28 LYS HA H 28 4.251 4.304 -0.053 1
1 225 . 17 1 1 A 28 28 LYS C C 28 177.354 176.291 1.063 1
1 226 . 17 1 1 A 28 28 LYS CA C 28 58.122 57.977 0.145 1
1 227 . 17 1 1 A 28 28 LYS CB C 28 33.315 33.074 0.241 1
1 231 . 17 1 1 A 28 28 LYS N N 28 118.586 113.393 5.193 1
1 232 . 17 1 1 A 29 29 THR H H 29 8.820 8.204 0.616 1
1 233 . 17 1 1 A 29 29 THR HA H 29 4.410 4.619 -0.209 1
1 238 . 17 1 1 A 29 29 THR C C 29 170.360 174.522 -4.162 1
1 239 . 17 1 1 A 29 29 THR CA C 29 59.749 60.937 -1.188 1
1 240 . 17 1 1 A 29 29 THR CB C 29 68.972 71.465 -2.493 1
1 242 . 17 1 1 A 29 29 THR N N 29 116.094 112.848 3.246 1
1 243 . 17 1 1 A 30 30 ARG H H 30 8.203 8.842 -0.639 1
1 244 . 17 1 1 A 30 30 ARG HA H 30 3.957 4.312 -0.355 1
1 251 . 17 1 1 A 30 30 ARG C C 30 175.120 176.266 -1.146 1
1 252 . 17 1 1 A 30 30 ARG CA C 30 56.750 58.138 -1.388 1
1 253 . 17 1 1 A 30 30 ARG CB C 30 30.444 30.241 0.203 1
1 256 . 17 1 1 A 30 30 ARG N N 30 122.783 126.957 -4.174 1
1 257 . 17 1 1 A 31 31 TYR H H 31 8.002 7.981 0.021 1
1 258 . 17 1 1 A 31 31 TYR HA H 31 4.686 4.977 -0.291 1
1 265 . 17 1 1 A 31 31 TYR C C 31 172.910 172.951 -0.041 1
1 266 . 17 1 1 A 31 31 TYR CA C 31 55.303 54.813 0.490 1
1 267 . 17 1 1 A 31 31 TYR CB C 31 39.057 38.486 0.571 1
1 272 . 17 1 1 A 31 31 TYR N N 31 114.710 119.412 -4.702 1
1 273 . 17 1 1 A 32 32 PRO HA H 32 4.427 4.580 -0.153 1
1 280 . 17 1 1 A 32 32 PRO C C 32 177.257 175.452 1.805 1
1 281 . 17 1 1 A 32 32 PRO CA C 32 62.838 62.336 0.502 1
1 282 . 17 1 1 A 32 32 PRO CB C 32 32.082 32.669 -0.587 1
1 285 . 17 1 1 A 33 33 ASP H H 33 7.804 8.590 -0.786 1
1 286 . 17 1 1 A 33 33 ASP HA H 33 4.509 5.013 -0.504 1
1 289 . 17 1 1 A 33 33 ASP C C 33 176.286 177.779 -1.493 1
1 290 . 17 1 1 A 33 33 ASP CA C 33 52.894 52.743 0.151 1
1 291 . 17 1 1 A 33 33 ASP CB C 33 41.475 42.926 -1.451 1
1 292 . 17 1 1 A 33 33 ASP N N 33 123.553 120.146 3.407 1
1 293 . 17 1 1 A 34 34 ILE H H 34 8.429 8.563 -0.134 1
1 294 . 17 1 1 A 34 34 ILE HA H 34 3.700 3.785 -0.085 1
1 304 . 17 1 1 A 34 34 ILE C C 34 175.412 177.558 -2.146 1
1 305 . 17 1 1 A 34 34 ILE CA C 34 63.602 64.269 -0.667 1
1 306 . 17 1 1 A 34 34 ILE CB C 34 37.846 37.630 0.216 1
1 310 . 17 1 1 A 34 34 ILE N N 34 117.269 125.813 -8.544 1
1 311 . 17 1 1 A 35 35 PHE H H 35 7.086 7.705 -0.619 1
1 312 . 17 1 1 A 35 35 PHE HA H 35 4.287 4.304 -0.017 1
1 320 . 17 1 1 A 35 35 PHE C C 35 179.589 178.257 1.332 1
1 321 . 17 1 1 A 35 35 PHE CA C 35 60.676 60.302 0.374 1
1 322 . 17 1 1 A 35 35 PHE CB C 35 37.731 38.215 -0.484 1
1 328 . 17 1 1 A 35 35 PHE N N 35 121.852 120.835 1.017 1
1 329 . 17 1 1 A 36 36 MET H H 36 8.559 8.380 0.179 1
1 330 . 17 1 1 A 36 36 MET HA H 36 4.216 4.123 0.093 1
1 338 . 17 1 1 A 36 36 MET C C 36 179.904 178.679 1.225 1
1 339 . 17 1 1 A 36 36 MET CA C 36 58.849 59.106 -0.257 1
1 340 . 17 1 1 A 36 36 MET CB C 36 33.757 32.726 1.031 1
1 343 . 17 1 1 A 36 36 MET N N 36 120.502 117.648 2.854 1
1 344 . 17 1 1 A 37 37 ARG H H 37 8.495 8.278 0.217 1
1 345 . 17 1 1 A 37 37 ARG HA H 37 3.839 4.062 -0.223 1
1 352 . 17 1 1 A 37 37 ARG C C 37 178.326 179.376 -1.050 1
1 353 . 17 1 1 A 37 37 ARG CA C 37 60.738 59.781 0.957 1
1 354 . 17 1 1 A 37 37 ARG CB C 37 31.601 30.026 1.575 1
1 357 . 17 1 1 A 37 37 ARG N N 37 117.379 118.926 -1.547 1
1 358 . 17 1 1 A 38 38 GLU H H 38 8.793 8.294 0.499 1
1 359 . 17 1 1 A 38 38 GLU HA H 38 4.028 4.085 -0.057 1
1 364 . 17 1 1 A 38 38 GLU C C 38 179.079 179.119 -0.040 1
1 365 . 17 1 1 A 38 38 GLU CA C 38 59.682 59.148 0.534 1
1 366 . 17 1 1 A 38 38 GLU CB C 38 29.555 29.244 0.311 1
1 368 . 17 1 1 A 38 38 GLU N N 38 119.411 119.675 -0.264 1
1 369 . 17 1 1 A 39 39 GLU H H 39 7.909 7.966 -0.057 1
1 370 . 17 1 1 A 39 39 GLU HA H 39 4.090 4.111 -0.021 1
1 375 . 17 1 1 A 39 39 GLU C C 39 179.662 178.705 0.957 1
1 376 . 17 1 1 A 39 39 GLU CA C 39 59.776 59.232 0.544 1
1 377 . 17 1 1 A 39 39 GLU CB C 39 29.688 29.436 0.252 1
1 379 . 17 1 1 A 39 39 GLU N N 39 119.625 120.499 -0.874 1
1 380 . 17 1 1 A 40 40 VAL H H 40 7.732 8.035 -0.303 1
1 381 . 17 1 1 A 40 40 VAL HA H 40 3.836 3.600 0.236 1
1 389 . 17 1 1 A 40 40 VAL C C 40 176.674 178.131 -1.457 1
1 390 . 17 1 1 A 40 40 VAL CA C 40 65.856 66.795 -0.939 1
1 391 . 17 1 1 A 40 40 VAL CB C 40 31.416 31.576 -0.160 1
1 394 . 17 1 1 A 40 40 VAL N N 40 118.226 120.097 -1.871 1
1 395 . 17 1 1 A 41 41 ALA H H 41 8.405 8.331 0.074 1
1 396 . 17 1 1 A 41 41 ALA HA H 41 3.843 4.035 -0.192 1
1 400 . 17 1 1 A 41 41 ALA C C 41 179.856 178.819 1.037 1
1 401 . 17 1 1 A 41 41 ALA CA C 41 56.009 54.481 1.528 1
1 402 . 17 1 1 A 41 41 ALA CB C 41 17.646 18.598 -0.952 1
1 403 . 17 1 1 A 41 41 ALA N N 41 124.532 121.084 3.448 1
1 404 . 17 1 1 A 42 42 LEU H H 42 7.711 7.643 0.068 1
1 405 . 17 1 1 A 42 42 LEU HA H 42 4.199 4.237 -0.038 1
1 415 . 17 1 1 A 42 42 LEU C C 42 180.317 178.899 1.418 1
1 416 . 17 1 1 A 42 42 LEU CA C 42 57.484 55.866 1.618 1
1 417 . 17 1 1 A 42 42 LEU CB C 42 42.346 42.205 0.141 1
1 421 . 17 1 1 A 42 42 LEU N N 42 116.217 117.712 -1.495 1
1 422 . 17 1 1 A 43 43 LYS H H 43 7.615 8.288 -0.673 1
1 423 . 17 1 1 A 43 43 LYS HA H 43 4.133 4.078 0.055 1
1 432 . 17 1 1 A 43 43 LYS C C 43 178.933 179.192 -0.259 1
1 433 . 17 1 1 A 43 43 LYS CA C 43 59.269 59.143 0.126 1
1 434 . 17 1 1 A 43 43 LYS CB C 43 33.232 32.554 0.678 1
1 438 . 17 1 1 A 43 43 LYS N N 43 118.909 120.826 -1.917 1
1 439 . 17 1 1 A 44 44 ILE H H 44 8.057 8.115 -0.058 1
1 440 . 17 1 1 A 44 44 ILE HA H 44 4.638 4.067 0.571 1
1 450 . 17 1 1 A 44 44 ILE C C 44 174.853 175.454 -0.601 1
1 451 . 17 1 1 A 44 44 ILE CA C 44 60.676 61.279 -0.603 1
1 452 . 17 1 1 A 44 44 ILE CB C 44 38.258 37.417 0.841 1
1 456 . 17 1 1 A 44 44 ILE N N 44 108.541 113.979 -5.438 1
1 457 . 17 1 1 A 45 45 ASN H H 45 7.885 7.986 -0.101 1
1 458 . 17 1 1 A 45 45 ASN HA H 45 4.400 4.307 0.093 1
1 463 . 17 1 1 A 45 45 ASN C C 45 173.857 173.731 0.126 1
1 464 . 17 1 1 A 45 45 ASN CA C 45 54.104 54.428 -0.324 1
1 465 . 17 1 1 A 45 45 ASN CB C 45 37.082 36.585 0.497 1
1 466 . 17 1 1 A 45 45 ASN N N 45 119.396 117.004 2.392 1
1 468 . 17 1 1 A 46 46 LEU H H 46 8.195 7.769 0.426 1
1 469 . 17 1 1 A 46 46 LEU HA H 46 4.961 4.777 0.184 1
1 479 . 17 1 1 A 46 46 LEU CA C 46 52.101 51.436 0.665 1
1 480 . 17 1 1 A 46 46 LEU CB C 46 46.563 44.961 1.602 1
1 484 . 17 1 1 A 46 46 LEU N N 46 119.142 119.057 0.085 1
1 485 . 17 1 1 A 47 47 PRO HA H 47 4.547 4.682 -0.135 1
1 492 . 17 1 1 A 47 47 PRO C C 47 178.350 177.819 0.531 1
1 493 . 17 1 1 A 47 47 PRO CA C 47 62.434 62.909 -0.475 1
1 494 . 17 1 1 A 47 47 PRO CB C 47 32.295 31.636 0.659 1
1 497 . 17 1 1 A 48 48 GLU H H 48 9.242 9.072 0.170 1
1 498 . 17 1 1 A 48 48 GLU HA H 48 3.689 4.043 -0.354 1
1 503 . 17 1 1 A 48 48 GLU C C 48 178.326 178.063 0.263 1
1 504 . 17 1 1 A 48 48 GLU CA C 48 61.058 59.640 1.418 1
1 505 . 17 1 1 A 48 48 GLU CB C 48 28.537 29.510 -0.973 1
1 507 . 17 1 1 A 48 48 GLU N N 48 125.487 125.319 0.168 1
1 508 . 17 1 1 A 49 49 SER H H 49 8.653 7.927 0.726 1
1 509 . 17 1 1 A 49 49 SER HA H 49 4.058 4.212 -0.154 1
1 512 . 17 1 1 A 49 49 SER C C 49 177.549 177.499 0.050 1
1 513 . 17 1 1 A 49 49 SER CA C 49 61.266 61.427 -0.161 1
1 514 . 17 1 1 A 49 49 SER CB C 49 61.658 62.891 -1.233 1
1 515 . 17 1 1 A 49 49 SER N N 49 113.467 114.883 -1.416 1
1 516 . 17 1 1 A 50 50 ARG H H 50 7.489 8.256 -0.767 1
1 517 . 17 1 1 A 50 50 ARG HA H 50 4.344 4.276 0.068 1
1 524 . 17 1 1 A 50 50 ARG C C 50 179.467 179.294 0.173 1
1 525 . 17 1 1 A 50 50 ARG CA C 50 57.575 59.165 -1.590 1
1 526 . 17 1 1 A 50 50 ARG CB C 50 29.523 30.040 -0.517 1
1 529 . 17 1 1 A 50 50 ARG N N 50 120.329 121.818 -1.489 1
1 530 . 17 1 1 A 51 51 VAL H H 51 7.598 7.575 0.023 1
1 531 . 17 1 1 A 51 51 VAL HA H 51 3.733 3.700 0.033 1
1 539 . 17 1 1 A 51 51 VAL C C 51 177.767 178.260 -0.493 1
1 540 . 17 1 1 A 51 51 VAL CA C 51 67.082 66.688 0.394 1
1 541 . 17 1 1 A 51 51 VAL CB C 51 31.945 31.820 0.125 1
1 544 . 17 1 1 A 51 51 VAL N N 51 121.456 120.187 1.269 1
1 545 . 17 1 1 A 52 52 GLN H H 52 8.579 8.064 0.515 1
1 546 . 17 1 1 A 52 52 GLN HA H 52 4.338 4.107 0.231 1
1 553 . 17 1 1 A 52 52 GLN C C 52 178.836 178.772 0.064 1
1 554 . 17 1 1 A 52 52 GLN CA C 52 60.257 59.376 0.881 1
1 555 . 17 1 1 A 52 52 GLN CB C 52 28.377 28.466 -0.089 1
1 557 . 17 1 1 A 52 52 GLN N N 52 119.679 119.583 0.096 1
1 559 . 17 1 1 A 53 53 VAL H H 53 7.777 7.794 -0.017 1
1 560 . 17 1 1 A 53 53 VAL HA H 53 3.667 3.644 0.023 1
1 568 . 17 1 1 A 53 53 VAL C C 53 177.379 178.272 -0.893 1
1 569 . 17 1 1 A 53 53 VAL CA C 53 67.004 66.453 0.551 1
1 570 . 17 1 1 A 53 53 VAL CB C 53 32.237 31.689 0.548 1
1 573 . 17 1 1 A 53 53 VAL N N 53 119.215 119.040 0.175 1
1 574 . 17 1 1 A 54 54 TRP H H 54 8.177 8.404 -0.227 1
1 575 . 17 1 1 A 54 54 TRP HA H 54 4.074 4.010 0.064 1
1 584 . 17 1 1 A 54 54 TRP C C 54 179.589 178.147 1.442 1
1 585 . 17 1 1 A 54 54 TRP CA C 54 63.273 60.895 2.378 1
1 586 . 17 1 1 A 54 54 TRP CB C 54 28.458 29.486 -1.028 1
1 592 . 17 1 1 A 54 54 TRP N N 54 120.980 121.271 -0.291 1
1 594 . 17 1 1 A 55 55 PHE H H 55 8.755 8.196 0.559 1
1 595 . 17 1 1 A 55 55 PHE HA H 55 3.626 3.944 -0.318 1
1 603 . 17 1 1 A 55 55 PHE C C 55 177.937 177.714 0.223 1
1 604 . 17 1 1 A 55 55 PHE CA C 55 64.064 62.014 2.050 1
1 605 . 17 1 1 A 55 55 PHE CB C 55 39.579 38.511 1.068 1
1 611 . 17 1 1 A 55 55 PHE N N 55 118.177 118.076 0.101 1
1 612 . 17 1 1 A 56 56 LYS H H 56 8.169 8.582 -0.413 1
1 613 . 17 1 1 A 56 56 LYS HA H 56 3.914 3.948 -0.034 1
1 620 . 17 1 1 A 56 56 LYS C C 56 179.929 178.897 1.032 1
1 621 . 17 1 1 A 56 56 LYS CA C 56 60.488 59.884 0.604 1
1 622 . 17 1 1 A 56 56 LYS CB C 56 32.243 32.140 0.103 1
1 626 . 17 1 1 A 56 56 LYS N N 56 119.649 121.370 -1.721 1
1 627 . 17 1 1 A 57 57 ASN H H 57 8.238 8.509 -0.271 1
1 628 . 17 1 1 A 57 57 ASN HA H 57 4.345 4.400 -0.055 1
1 633 . 17 1 1 A 57 57 ASN C C 57 177.379 177.762 -0.383 1
1 634 . 17 1 1 A 57 57 ASN CA C 57 55.515 55.838 -0.323 1
1 635 . 17 1 1 A 57 57 ASN CB C 57 37.887 37.808 0.079 1
1 636 . 17 1 1 A 57 57 ASN N N 57 118.635 118.033 0.602 1
1 638 . 17 1 1 A 58 58 ARG H H 58 8.347 7.968 0.379 1
1 639 . 17 1 1 A 58 58 ARG HA H 58 3.419 3.526 -0.107 1
1 646 . 17 1 1 A 58 58 ARG C C 58 179.637 178.057 1.580 1
1 647 . 17 1 1 A 58 58 ARG CA C 58 56.820 59.052 -2.232 1
1 648 . 17 1 1 A 58 58 ARG CB C 58 28.359 28.783 -0.424 1
1 651 . 17 1 1 A 58 58 ARG N N 58 123.884 120.247 3.637 1
1 652 . 17 1 1 A 59 59 ARG H H 59 8.184 7.530 0.654 1
1 653 . 17 1 1 A 59 59 ARG HA H 59 4.124 4.166 -0.042 1
1 659 . 17 1 1 A 59 59 ARG C C 59 178.836 178.373 0.463 1
1 660 . 17 1 1 A 59 59 ARG CA C 59 60.478 59.834 0.644 1
1 661 . 17 1 1 A 59 59 ARG CB C 59 31.667 30.293 1.374 1
1 664 . 17 1 1 A 59 59 ARG N N 59 117.828 118.933 -1.105 1
1 665 . 17 1 1 A 60 60 ALA H H 60 7.407 7.732 -0.325 1
1 666 . 17 1 1 A 60 60 ALA HA H 60 4.183 4.112 0.071 1
1 670 . 17 1 1 A 60 60 ALA C C 60 179.370 180.245 -0.875 1
1 671 . 17 1 1 A 60 60 ALA CA C 60 54.509 54.984 -0.475 1
1 672 . 17 1 1 A 60 60 ALA CB C 60 18.207 18.340 -0.133 1
1 673 . 17 1 1 A 60 60 ALA N N 60 121.238 120.768 0.470 1
1 674 . 17 1 1 A 61 61 LYS H H 61 7.564 7.755 -0.191 1
1 675 . 17 1 1 A 61 61 LYS HA H 61 4.143 3.903 0.240 1
1 684 . 17 1 1 A 61 61 LYS C C 61 177.767 178.783 -1.016 1
1 685 . 17 1 1 A 61 61 LYS CA C 61 57.671 59.409 -1.738 1
1 686 . 17 1 1 A 61 61 LYS CB C 61 32.490 32.158 0.332 1
1 690 . 17 1 1 A 61 61 LYS N N 61 118.322 117.292 1.030 1
1 691 . 17 1 1 A 62 62 CYS H H 62 7.725 7.840 -0.115 1
1 692 . 17 1 1 A 62 62 CYS HA H 62 4.401 3.988 0.413 1
1 695 . 17 1 1 A 62 62 CYS C C 62 175.752 177.139 -1.387 1
1 696 . 17 1 1 A 62 62 CYS CA C 62 60.540 62.884 -2.344 1
1 697 . 17 1 1 A 62 62 CYS CB C 62 27.654 26.889 0.765 1
1 698 . 17 1 1 A 62 62 CYS N N 62 117.981 119.196 -1.215 1
1 699 . 17 1 1 A 63 63 ARG H H 63 8.044 8.093 -0.049 1
1 700 . 17 1 1 A 63 63 ARG HA H 63 4.273 4.041 0.232 1
1 705 . 17 1 1 A 63 63 ARG C C 63 177.233 178.815 -1.582 1
1 706 . 17 1 1 A 63 63 ARG CA C 63 57.631 59.975 -2.344 1
1 707 . 17 1 1 A 63 63 ARG CB C 63 30.347 30.098 0.249 1
1 710 . 17 1 1 A 63 63 ARG N N 63 121.313 120.069 1.244 1
1 711 . 17 1 1 A 64 64 GLN H H 64 8.217 8.033 0.184 1
1 712 . 17 1 1 A 64 64 GLN HA H 64 4.262 3.980 0.282 1
1 718 . 17 1 1 A 64 64 GLN C C 64 176.942 175.613 1.329 1
1 719 . 17 1 1 A 64 64 GLN CA C 64 57.172 58.944 -1.772 1
1 720 . 17 1 1 A 64 64 GLN CB C 64 29.129 28.886 0.243 1
1 722 . 17 1 1 A 64 64 GLN N N 64 120.369 119.307 1.062 1
1 724 . 17 1 1 A 71 71 ASN CB C 71 37.967 38.360 -0.393 1
1 726 . 17 1 1 A 72 72 GLY HA2 H 72 3.984 3.950 0.034 1
1 727 . 17 1 1 A 72 72 GLY HA3 H 72 3.984 3.951 0.033 1
1 728 . 17 1 1 A 72 72 GLY C C 72 174.877 174.034 0.843 1
1 729 . 17 1 1 A 72 72 GLY CA C 72 45.604 45.667 -0.063 1
1 730 . 17 1 1 A 73 73 GLY H H 73 8.288 8.579 -0.291 1
1 731 . 17 1 1 A 73 73 GLY HA2 H 73 3.986 4.164 -0.178 1
1 732 . 17 1 1 A 73 73 GLY HA3 H 73 3.986 4.166 -0.180 1
1 733 . 17 1 1 A 73 73 GLY C C 73 174.319 173.105 1.214 1
1 734 . 17 1 1 A 73 73 GLY CA C 73 45.322 45.665 -0.343 1
1 735 . 17 1 1 A 73 73 GLY N N 73 108.597 107.500 1.097 1
1 736 . 17 1 1 A 74 74 GLN H H 74 8.281 7.986 0.295 1
1 737 . 17 1 1 A 74 74 GLN HA H 74 4.413 5.065 -0.652 1
1 743 . 17 1 1 A 74 74 GLN C C 74 176.262 174.247 2.015 1
1 744 . 17 1 1 A 74 74 GLN CA C 74 55.973 54.088 1.885 1
1 745 . 17 1 1 A 74 74 GLN CB C 74 29.605 32.165 -2.560 1
1 747 . 17 1 1 A 74 74 GLN N N 74 119.866 116.973 2.893 1
1 749 . 17 1 1 A 75 75 SER H H 75 8.432 8.764 -0.332 1
1 750 . 17 1 1 A 75 75 SER HA H 75 4.524 5.459 -0.935 1
1 753 . 17 1 1 A 75 75 SER C C 75 174.586 173.297 1.289 1
1 754 . 17 1 1 A 75 75 SER CA C 75 58.513 56.599 1.914 1
1 755 . 17 1 1 A 75 75 SER CB C 75 64.061 65.602 -1.541 1
1 756 . 17 1 1 A 75 75 SER N N 75 117.073 115.757 1.316 1
1 757 . 17 1 1 A 76 76 GLY H H 76 8.244 8.332 -0.088 1
1 758 . 17 1 1 A 76 76 GLY HA2 H 76 4.171 4.128 0.043 1
1 759 . 17 1 1 A 76 76 GLY HA3 H 76 4.102 4.130 -0.028 1
1 760 . 17 1 1 A 76 76 GLY C C 76 171.842 172.223 -0.381 1
1 761 . 17 1 1 A 76 76 GLY CA C 76 44.617 45.014 -0.397 1
1 762 . 17 1 1 A 76 76 GLY N N 76 110.727 108.630 2.097 1
1 763 . 17 1 1 A 77 77 PRO HA H 77 4.494 4.621 -0.127 1
1 770 . 17 1 1 A 77 77 PRO C C 77 177.476 176.586 0.890 1
1 771 . 17 1 1 A 77 77 PRO CA C 77 63.380 62.694 0.686 1
1 772 . 17 1 1 A 77 77 PRO CB C 77 32.231 32.266 -0.035 1
1 775 . 17 1 1 A 78 78 SER H H 78 8.526 8.444 0.082 1
1 776 . 17 1 1 A 78 78 SER HA H 78 4.514 4.769 -0.255 1
1 779 . 17 1 1 A 78 78 SER C C 78 174.756 173.743 1.013 1
1 780 . 17 1 1 A 78 78 SER CA C 78 58.513 56.831 1.682 1
1 781 . 17 1 1 A 78 78 SER CB C 78 63.896 65.580 -1.684 1
1 782 . 17 1 1 A 78 78 SER N N 78 116.438 115.236 1.202 1
1 783 . 17 1 1 A 79 79 SER H H 79 8.329 8.744 -0.415 1
1 784 . 17 1 1 A 79 79 SER HA H 79 4.502 4.897 -0.395 1
1 787 . 17 1 1 A 79 79 SER C C 79 173.954 175.040 -1.086 1
1 788 . 17 1 1 A 79 79 SER CA C 79 58.477 57.400 1.077 1
1 789 . 17 1 1 A 79 79 SER CB C 79 64.019 64.238 -0.219 1
1 790 . 17 1 1 A 79 79 SER N N 79 117.859 117.789 0.070 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.978 3.981 -0.003 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.978 3.981 -0.003 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.149 173.601 0.548 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.393 45.662 -0.269 1
1 5 . 18 1 1 A 8 8 ARG H H 8 8.135 7.829 0.306 1
1 6 . 18 1 1 A 8 8 ARG C C 8 176.480 175.346 1.134 1
1 7 . 18 1 1 A 8 8 ARG CA C 8 56.589 54.060 2.529 1
1 8 . 18 1 1 A 8 8 ARG CB C 8 30.686 33.723 -3.037 1
1 11 . 18 1 1 A 8 8 ARG N N 8 120.720 119.697 1.023 1
1 12 . 18 1 1 A 9 9 ARG H H 9 8.471 8.805 -0.334 1
1 13 . 18 1 1 A 9 9 ARG HA H 9 4.288 4.556 -0.268 1
1 14 . 18 1 1 A 9 9 ARG C C 9 176.504 175.881 0.623 1
1 15 . 18 1 1 A 9 9 ARG CA C 9 56.432 56.218 0.214 1
1 16 . 18 1 1 A 9 9 ARG CB C 9 30.466 32.700 -2.234 1
1 17 . 18 1 1 A 9 9 ARG N N 9 122.487 122.483 0.004 1
1 18 . 18 1 1 A 13 13 THR HA H 13 4.365 4.294 0.071 1
1 23 . 18 1 1 A 13 13 THR C C 13 173.954 174.093 -0.139 1
1 24 . 18 1 1 A 13 13 THR CA C 13 61.440 64.212 -2.772 1
1 25 . 18 1 1 A 13 13 THR CB C 13 70.210 69.484 0.726 1
1 27 . 18 1 1 A 14 14 PHE H H 14 8.297 8.054 0.243 1
1 28 . 18 1 1 A 14 14 PHE HA H 14 4.941 4.998 -0.057 1
1 36 . 18 1 1 A 14 14 PHE C C 14 176.650 175.593 1.057 1
1 37 . 18 1 1 A 14 14 PHE CA C 14 57.077 57.260 -0.183 1
1 38 . 18 1 1 A 14 14 PHE CB C 14 41.503 40.092 1.411 1
1 44 . 18 1 1 A 14 14 PHE N N 14 121.677 117.929 3.748 1
1 45 . 18 1 1 A 15 15 THR H H 15 9.009 8.915 0.094 1
1 46 . 18 1 1 A 15 15 THR HA H 15 4.493 4.804 -0.311 1
1 51 . 18 1 1 A 15 15 THR C C 15 175.314 176.213 -0.899 1
1 52 . 18 1 1 A 15 15 THR CA C 15 60.359 60.184 0.175 1
1 53 . 18 1 1 A 15 15 THR CB C 15 70.902 71.765 -0.863 1
1 55 . 18 1 1 A 15 15 THR N N 15 113.381 114.766 -1.385 1
1 56 . 18 1 1 A 16 16 ARG H H 16 8.882 8.990 -0.108 1
1 57 . 18 1 1 A 16 16 ARG HA H 16 3.986 3.927 0.059 1
1 64 . 18 1 1 A 16 16 ARG C C 16 177.670 178.533 -0.863 1
1 65 . 18 1 1 A 16 16 ARG CA C 16 59.042 60.093 -1.051 1
1 66 . 18 1 1 A 16 16 ARG CB C 16 30.100 30.140 -0.040 1
1 69 . 18 1 1 A 16 16 ARG N N 16 122.206 121.919 0.287 1
1 70 . 18 1 1 A 17 17 ALA H H 17 8.251 8.112 0.139 1
1 71 . 18 1 1 A 17 17 ALA HA H 17 4.159 4.061 0.098 1
1 75 . 18 1 1 A 17 17 ALA C C 17 181.386 180.168 1.218 1
1 76 . 18 1 1 A 17 17 ALA CA C 17 54.986 55.381 -0.395 1
1 77 . 18 1 1 A 17 17 ALA CB C 17 18.333 18.314 0.019 1
1 78 . 18 1 1 A 17 17 ALA N N 17 119.149 121.741 -2.592 1
1 79 . 18 1 1 A 18 18 GLN H H 18 7.533 8.023 -0.490 1
1 80 . 18 1 1 A 18 18 GLN HA H 18 3.858 4.033 -0.175 1
1 87 . 18 1 1 A 18 18 GLN C C 18 177.986 178.934 -0.948 1
1 88 . 18 1 1 A 18 18 GLN CA C 18 58.790 58.810 -0.020 1
1 89 . 18 1 1 A 18 18 GLN CB C 18 28.603 28.530 0.073 1
1 91 . 18 1 1 A 18 18 GLN N N 18 116.295 117.300 -1.005 1
1 93 . 18 1 1 A 19 19 LEU H H 19 8.417 8.368 0.049 1
1 94 . 18 1 1 A 19 19 LEU HA H 19 3.547 3.836 -0.289 1
1 104 . 18 1 1 A 19 19 LEU C C 19 178.617 178.167 0.450 1
1 105 . 18 1 1 A 19 19 LEU CA C 19 57.745 57.741 0.004 1
1 106 . 18 1 1 A 19 19 LEU CB C 19 41.584 41.742 -0.158 1
1 110 . 18 1 1 A 19 19 LEU N N 19 118.955 120.991 -2.036 1
1 111 . 18 1 1 A 20 20 ASP H H 20 8.537 8.243 0.294 1
1 112 . 18 1 1 A 20 20 ASP HA H 20 4.291 4.265 0.026 1
1 115 . 18 1 1 A 20 20 ASP C C 20 179.783 178.607 1.176 1
1 116 . 18 1 1 A 20 20 ASP CA C 20 57.666 57.433 0.233 1
1 117 . 18 1 1 A 20 20 ASP CB C 20 39.965 41.070 -1.105 1
1 118 . 18 1 1 A 20 20 ASP N N 20 118.356 118.576 -0.220 1
1 119 . 18 1 1 A 21 21 VAL H H 21 7.006 7.645 -0.639 1
1 120 . 18 1 1 A 21 21 VAL HA H 21 3.667 3.529 0.138 1
1 128 . 18 1 1 A 21 21 VAL C C 21 178.836 177.781 1.055 1
1 129 . 18 1 1 A 21 21 VAL CA C 21 66.062 66.532 -0.470 1
1 130 . 18 1 1 A 21 21 VAL CB C 21 32.006 31.731 0.275 1
1 133 . 18 1 1 A 21 21 VAL N N 21 120.507 118.862 1.645 1
1 134 . 18 1 1 A 22 22 LEU H H 22 7.638 7.837 -0.199 1
1 135 . 18 1 1 A 22 22 LEU HA H 22 3.557 3.651 -0.094 1
1 145 . 18 1 1 A 22 22 LEU C C 22 178.277 179.206 -0.929 1
1 146 . 18 1 1 A 22 22 LEU CA C 22 58.595 57.838 0.757 1
1 147 . 18 1 1 A 22 22 LEU CB C 22 38.402 40.511 -2.109 1
1 151 . 18 1 1 A 22 22 LEU N N 22 122.874 118.796 4.078 1
1 152 . 18 1 1 A 23 23 GLU H H 23 8.880 8.246 0.634 1
1 153 . 18 1 1 A 23 23 GLU HA H 23 4.162 4.040 0.122 1
1 157 . 18 1 1 A 23 23 GLU C C 23 180.123 179.116 1.007 1
1 158 . 18 1 1 A 23 23 GLU CA C 23 59.182 58.976 0.206 1
1 159 . 18 1 1 A 23 23 GLU CB C 23 29.111 29.664 -0.553 1
1 161 . 18 1 1 A 23 23 GLU N N 23 117.314 118.928 -1.614 1
1 162 . 18 1 1 A 24 24 ALA H H 24 7.614 8.314 -0.700 1
1 163 . 18 1 1 A 24 24 ALA HA H 24 4.273 4.105 0.168 1
1 167 . 18 1 1 A 24 24 ALA C C 24 180.560 179.683 0.877 1
1 168 . 18 1 1 A 24 24 ALA CA C 24 55.023 54.893 0.130 1
1 169 . 18 1 1 A 24 24 ALA CB C 24 17.775 18.639 -0.864 1
1 170 . 18 1 1 A 24 24 ALA N N 24 122.032 122.802 -0.770 1
1 171 . 18 1 1 A 25 25 LEU H H 25 7.673 7.930 -0.257 1
1 172 . 18 1 1 A 25 25 LEU HA H 25 4.507 4.165 0.342 1
1 182 . 18 1 1 A 25 25 LEU C C 25 177.694 178.447 -0.753 1
1 183 . 18 1 1 A 25 25 LEU CA C 25 57.913 57.390 0.523 1
1 184 . 18 1 1 A 25 25 LEU CB C 25 40.753 41.765 -1.012 1
1 188 . 18 1 1 A 25 25 LEU N N 25 120.067 119.961 0.106 1
1 189 . 18 1 1 A 26 26 PHE H H 26 8.839 8.373 0.466 1
1 190 . 18 1 1 A 26 26 PHE HA H 26 4.765 4.282 0.483 1
1 198 . 18 1 1 A 26 26 PHE C C 26 175.800 177.729 -1.929 1
1 199 . 18 1 1 A 26 26 PHE CA C 26 61.017 60.026 0.991 1
1 200 . 18 1 1 A 26 26 PHE CB C 26 39.167 39.627 -0.460 1
1 206 . 18 1 1 A 26 26 PHE N N 26 121.428 119.878 1.550 1
1 207 . 18 1 1 A 27 27 ALA H H 27 7.825 7.792 0.033 1
1 208 . 18 1 1 A 27 27 ALA HA H 27 4.062 4.383 -0.321 1
1 212 . 18 1 1 A 27 27 ALA C C 27 179.273 179.307 -0.034 1
1 213 . 18 1 1 A 27 27 ALA CA C 27 53.975 54.582 -0.607 1
1 214 . 18 1 1 A 27 27 ALA CB C 27 18.276 18.820 -0.544 1
1 215 . 18 1 1 A 27 27 ALA N N 27 116.175 121.406 -5.231 1
1 216 . 18 1 1 A 28 28 LYS H H 28 7.618 7.292 0.326 1
1 217 . 18 1 1 A 28 28 LYS HA H 28 4.251 4.261 -0.010 1
1 225 . 18 1 1 A 28 28 LYS C C 28 177.354 176.255 1.099 1
1 226 . 18 1 1 A 28 28 LYS CA C 28 58.122 58.529 -0.407 1
1 227 . 18 1 1 A 28 28 LYS CB C 28 33.315 32.637 0.678 1
1 231 . 18 1 1 A 28 28 LYS N N 28 118.586 113.789 4.797 1
1 232 . 18 1 1 A 29 29 THR H H 29 8.820 7.709 1.111 1
1 233 . 18 1 1 A 29 29 THR HA H 29 4.410 4.686 -0.276 1
1 238 . 18 1 1 A 29 29 THR C C 29 170.360 173.919 -3.559 1
1 239 . 18 1 1 A 29 29 THR CA C 29 59.749 60.675 -0.926 1
1 240 . 18 1 1 A 29 29 THR CB C 29 68.972 71.117 -2.145 1
1 242 . 18 1 1 A 29 29 THR N N 29 116.094 112.809 3.285 1
1 243 . 18 1 1 A 30 30 ARG H H 30 8.203 8.518 -0.315 1
1 244 . 18 1 1 A 30 30 ARG HA H 30 3.957 3.697 0.260 1
1 251 . 18 1 1 A 30 30 ARG C C 30 175.120 175.577 -0.457 1
1 252 . 18 1 1 A 30 30 ARG CA C 30 56.750 57.687 -0.937 1
1 253 . 18 1 1 A 30 30 ARG CB C 30 30.444 30.319 0.125 1
1 256 . 18 1 1 A 30 30 ARG N N 30 122.783 126.810 -4.027 1
1 257 . 18 1 1 A 31 31 TYR H H 31 8.002 7.884 0.118 1
1 258 . 18 1 1 A 31 31 TYR HA H 31 4.686 4.996 -0.310 1
1 265 . 18 1 1 A 31 31 TYR C C 31 172.910 172.704 0.206 1
1 266 . 18 1 1 A 31 31 TYR CA C 31 55.303 54.744 0.559 1
1 267 . 18 1 1 A 31 31 TYR CB C 31 39.057 38.417 0.640 1
1 272 . 18 1 1 A 31 31 TYR N N 31 114.710 117.507 -2.797 1
1 273 . 18 1 1 A 32 32 PRO HA H 32 4.427 4.593 -0.166 1
1 280 . 18 1 1 A 32 32 PRO C C 32 177.257 176.142 1.115 1
1 281 . 18 1 1 A 32 32 PRO CA C 32 62.838 62.542 0.296 1
1 282 . 18 1 1 A 32 32 PRO CB C 32 32.082 32.507 -0.425 1
1 285 . 18 1 1 A 33 33 ASP H H 33 7.804 8.681 -0.877 1
1 286 . 18 1 1 A 33 33 ASP HA H 33 4.509 5.026 -0.517 1
1 289 . 18 1 1 A 33 33 ASP C C 33 176.286 177.938 -1.652 1
1 290 . 18 1 1 A 33 33 ASP CA C 33 52.894 52.990 -0.096 1
1 291 . 18 1 1 A 33 33 ASP CB C 33 41.475 42.357 -0.882 1
1 292 . 18 1 1 A 33 33 ASP N N 33 123.553 120.512 3.041 1
1 293 . 18 1 1 A 34 34 ILE H H 34 8.429 8.671 -0.242 1
1 294 . 18 1 1 A 34 34 ILE HA H 34 3.700 3.863 -0.163 1
1 304 . 18 1 1 A 34 34 ILE C C 34 175.412 177.565 -2.153 1
1 305 . 18 1 1 A 34 34 ILE CA C 34 63.602 63.904 -0.302 1
1 306 . 18 1 1 A 34 34 ILE CB C 34 37.846 37.603 0.243 1
1 310 . 18 1 1 A 34 34 ILE N N 34 117.269 125.499 -8.230 1
1 311 . 18 1 1 A 35 35 PHE H H 35 7.086 7.756 -0.670 1
1 312 . 18 1 1 A 35 35 PHE HA H 35 4.287 4.314 -0.027 1
1 320 . 18 1 1 A 35 35 PHE C C 35 179.589 178.295 1.294 1
1 321 . 18 1 1 A 35 35 PHE CA C 35 60.676 60.358 0.318 1
1 322 . 18 1 1 A 35 35 PHE CB C 35 37.731 38.290 -0.559 1
1 328 . 18 1 1 A 35 35 PHE N N 35 121.852 120.990 0.862 1
1 329 . 18 1 1 A 36 36 MET H H 36 8.559 8.341 0.218 1
1 330 . 18 1 1 A 36 36 MET HA H 36 4.216 4.095 0.121 1
1 338 . 18 1 1 A 36 36 MET C C 36 179.904 178.734 1.170 1
1 339 . 18 1 1 A 36 36 MET CA C 36 58.849 59.041 -0.192 1
1 340 . 18 1 1 A 36 36 MET CB C 36 33.757 32.798 0.959 1
1 343 . 18 1 1 A 36 36 MET N N 36 120.502 117.598 2.904 1
1 344 . 18 1 1 A 37 37 ARG H H 37 8.495 8.014 0.481 1
1 345 . 18 1 1 A 37 37 ARG HA H 37 3.839 3.995 -0.156 1
1 352 . 18 1 1 A 37 37 ARG C C 37 178.326 179.219 -0.893 1
1 353 . 18 1 1 A 37 37 ARG CA C 37 60.738 59.896 0.842 1
1 354 . 18 1 1 A 37 37 ARG CB C 37 31.601 29.982 1.619 1
1 357 . 18 1 1 A 37 37 ARG N N 37 117.379 118.892 -1.513 1
1 358 . 18 1 1 A 38 38 GLU H H 38 8.793 8.327 0.466 1
1 359 . 18 1 1 A 38 38 GLU HA H 38 4.028 4.071 -0.043 1
1 364 . 18 1 1 A 38 38 GLU C C 38 179.079 178.932 0.147 1
1 365 . 18 1 1 A 38 38 GLU CA C 38 59.682 59.131 0.551 1
1 366 . 18 1 1 A 38 38 GLU CB C 38 29.555 29.215 0.340 1
1 368 . 18 1 1 A 38 38 GLU N N 38 119.411 119.672 -0.261 1
1 369 . 18 1 1 A 39 39 GLU H H 39 7.909 8.076 -0.167 1
1 370 . 18 1 1 A 39 39 GLU HA H 39 4.090 4.102 -0.012 1
1 375 . 18 1 1 A 39 39 GLU C C 39 179.662 178.685 0.977 1
1 376 . 18 1 1 A 39 39 GLU CA C 39 59.776 59.526 0.250 1
1 377 . 18 1 1 A 39 39 GLU CB C 39 29.688 29.519 0.169 1
1 379 . 18 1 1 A 39 39 GLU N N 39 119.625 120.526 -0.901 1
1 380 . 18 1 1 A 40 40 VAL H H 40 7.732 7.906 -0.174 1
1 381 . 18 1 1 A 40 40 VAL HA H 40 3.836 3.600 0.236 1
1 389 . 18 1 1 A 40 40 VAL C C 40 176.674 178.109 -1.435 1
1 390 . 18 1 1 A 40 40 VAL CA C 40 65.856 66.803 -0.947 1
1 391 . 18 1 1 A 40 40 VAL CB C 40 31.416 31.510 -0.094 1
1 394 . 18 1 1 A 40 40 VAL N N 40 118.226 119.879 -1.653 1
1 395 . 18 1 1 A 41 41 ALA H H 41 8.405 8.335 0.070 1
1 396 . 18 1 1 A 41 41 ALA HA H 41 3.843 4.028 -0.185 1
1 400 . 18 1 1 A 41 41 ALA C C 41 179.856 179.435 0.421 1
1 401 . 18 1 1 A 41 41 ALA CA C 41 56.009 54.744 1.265 1
1 402 . 18 1 1 A 41 41 ALA CB C 41 17.646 18.481 -0.835 1
1 403 . 18 1 1 A 41 41 ALA N N 41 124.532 121.087 3.445 1
1 404 . 18 1 1 A 42 42 LEU H H 42 7.711 7.757 -0.046 1
1 405 . 18 1 1 A 42 42 LEU HA H 42 4.199 4.161 0.038 1
1 415 . 18 1 1 A 42 42 LEU C C 42 180.317 179.159 1.158 1
1 416 . 18 1 1 A 42 42 LEU CA C 42 57.484 56.525 0.959 1
1 417 . 18 1 1 A 42 42 LEU CB C 42 42.346 42.039 0.307 1
1 421 . 18 1 1 A 42 42 LEU N N 42 116.217 118.817 -2.600 1
1 422 . 18 1 1 A 43 43 LYS H H 43 7.615 8.321 -0.706 1
1 423 . 18 1 1 A 43 43 LYS HA H 43 4.133 4.073 0.060 1
1 432 . 18 1 1 A 43 43 LYS C C 43 178.933 179.279 -0.346 1
1 433 . 18 1 1 A 43 43 LYS CA C 43 59.269 59.199 0.070 1
1 434 . 18 1 1 A 43 43 LYS CB C 43 33.232 32.490 0.742 1
1 438 . 18 1 1 A 43 43 LYS N N 43 118.909 120.826 -1.917 1
1 439 . 18 1 1 A 44 44 ILE H H 44 8.057 8.102 -0.045 1
1 440 . 18 1 1 A 44 44 ILE HA H 44 4.638 4.088 0.550 1
1 450 . 18 1 1 A 44 44 ILE C C 44 174.853 176.477 -1.624 1
1 451 . 18 1 1 A 44 44 ILE CA C 44 60.676 61.408 -0.732 1
1 452 . 18 1 1 A 44 44 ILE CB C 44 38.258 37.477 0.781 1
1 456 . 18 1 1 A 44 44 ILE N N 44 108.541 114.085 -5.544 1
1 457 . 18 1 1 A 45 45 ASN H H 45 7.885 8.191 -0.306 1
1 458 . 18 1 1 A 45 45 ASN HA H 45 4.400 4.357 0.043 1
1 463 . 18 1 1 A 45 45 ASN C C 45 173.857 173.835 0.022 1
1 464 . 18 1 1 A 45 45 ASN CA C 45 54.104 54.079 0.025 1
1 465 . 18 1 1 A 45 45 ASN CB C 45 37.082 37.302 -0.220 1
1 466 . 18 1 1 A 45 45 ASN N N 45 119.396 120.341 -0.945 1
1 468 . 18 1 1 A 46 46 LEU H H 46 8.195 7.928 0.267 1
1 469 . 18 1 1 A 46 46 LEU HA H 46 4.961 4.792 0.169 1
1 479 . 18 1 1 A 46 46 LEU CA C 46 52.101 51.458 0.643 1
1 480 . 18 1 1 A 46 46 LEU CB C 46 46.563 45.200 1.363 1
1 484 . 18 1 1 A 46 46 LEU N N 46 119.142 118.572 0.570 1
1 485 . 18 1 1 A 47 47 PRO HA H 47 4.547 4.676 -0.129 1
1 492 . 18 1 1 A 47 47 PRO C C 47 178.350 177.838 0.512 1
1 493 . 18 1 1 A 47 47 PRO CA C 47 62.434 62.849 -0.415 1
1 494 . 18 1 1 A 47 47 PRO CB C 47 32.295 31.702 0.593 1
1 497 . 18 1 1 A 48 48 GLU H H 48 9.242 9.067 0.175 1
1 498 . 18 1 1 A 48 48 GLU HA H 48 3.689 4.012 -0.323 1
1 503 . 18 1 1 A 48 48 GLU C C 48 178.326 178.301 0.025 1
1 504 . 18 1 1 A 48 48 GLU CA C 48 61.058 59.617 1.441 1
1 505 . 18 1 1 A 48 48 GLU CB C 48 28.537 29.546 -1.009 1
1 507 . 18 1 1 A 48 48 GLU N N 48 125.487 125.228 0.259 1
1 508 . 18 1 1 A 49 49 SER H H 49 8.653 8.121 0.532 1
1 509 . 18 1 1 A 49 49 SER HA H 49 4.058 4.168 -0.110 1
1 512 . 18 1 1 A 49 49 SER C C 49 177.549 176.819 0.730 1
1 513 . 18 1 1 A 49 49 SER CA C 49 61.266 61.962 -0.696 1
1 514 . 18 1 1 A 49 49 SER CB C 49 61.658 62.845 -1.187 1
1 515 . 18 1 1 A 49 49 SER N N 49 113.467 117.757 -4.290 1
1 516 . 18 1 1 A 50 50 ARG H H 50 7.489 7.893 -0.404 1
1 517 . 18 1 1 A 50 50 ARG HA H 50 4.344 4.244 0.100 1
1 524 . 18 1 1 A 50 50 ARG C C 50 179.467 179.026 0.441 1
1 525 . 18 1 1 A 50 50 ARG CA C 50 57.575 59.580 -2.005 1
1 526 . 18 1 1 A 50 50 ARG CB C 50 29.523 30.120 -0.597 1
1 529 . 18 1 1 A 50 50 ARG N N 50 120.329 121.607 -1.278 1
1 530 . 18 1 1 A 51 51 VAL H H 51 7.598 7.641 -0.043 1
1 531 . 18 1 1 A 51 51 VAL HA H 51 3.733 3.699 0.034 1
1 539 . 18 1 1 A 51 51 VAL C C 51 177.767 178.053 -0.286 1
1 540 . 18 1 1 A 51 51 VAL CA C 51 67.082 66.483 0.599 1
1 541 . 18 1 1 A 51 51 VAL CB C 51 31.945 31.874 0.071 1
1 544 . 18 1 1 A 51 51 VAL N N 51 121.456 120.159 1.297 1
1 545 . 18 1 1 A 52 52 GLN H H 52 8.579 8.170 0.409 1
1 546 . 18 1 1 A 52 52 GLN HA H 52 4.338 3.892 0.446 1
1 553 . 18 1 1 A 52 52 GLN C C 52 178.836 178.626 0.210 1
1 554 . 18 1 1 A 52 52 GLN CA C 52 60.257 59.220 1.037 1
1 555 . 18 1 1 A 52 52 GLN CB C 52 28.377 28.267 0.110 1
1 557 . 18 1 1 A 52 52 GLN N N 52 119.679 119.874 -0.195 1
1 559 . 18 1 1 A 53 53 VAL H H 53 7.777 8.442 -0.665 1
1 560 . 18 1 1 A 53 53 VAL HA H 53 3.667 3.673 -0.006 1
1 568 . 18 1 1 A 53 53 VAL C C 53 177.379 178.131 -0.752 1
1 569 . 18 1 1 A 53 53 VAL CA C 53 67.004 66.674 0.330 1
1 570 . 18 1 1 A 53 53 VAL CB C 53 32.237 31.756 0.481 1
1 573 . 18 1 1 A 53 53 VAL N N 53 119.215 119.262 -0.047 1
1 574 . 18 1 1 A 54 54 TRP H H 54 8.177 8.637 -0.460 1
1 575 . 18 1 1 A 54 54 TRP HA H 54 4.074 4.240 -0.166 1
1 584 . 18 1 1 A 54 54 TRP C C 54 179.589 178.154 1.435 1
1 585 . 18 1 1 A 54 54 TRP CA C 54 63.273 60.773 2.500 1
1 586 . 18 1 1 A 54 54 TRP CB C 54 28.458 29.953 -1.495 1
1 592 . 18 1 1 A 54 54 TRP N N 54 120.980 121.064 -0.084 1
1 594 . 18 1 1 A 55 55 PHE H H 55 8.755 7.768 0.987 1
1 595 . 18 1 1 A 55 55 PHE HA H 55 3.626 4.584 -0.958 1
1 603 . 18 1 1 A 55 55 PHE C C 55 177.937 178.163 -0.226 1
1 604 . 18 1 1 A 55 55 PHE CA C 55 64.064 61.149 2.915 1
1 605 . 18 1 1 A 55 55 PHE CB C 55 39.579 39.381 0.198 1
1 611 . 18 1 1 A 55 55 PHE N N 55 118.177 117.486 0.691 1
1 612 . 18 1 1 A 56 56 LYS H H 56 8.169 7.892 0.277 1
1 613 . 18 1 1 A 56 56 LYS HA H 56 3.914 4.148 -0.234 1
1 620 . 18 1 1 A 56 56 LYS C C 56 179.929 178.422 1.507 1
1 621 . 18 1 1 A 56 56 LYS CA C 56 60.488 59.044 1.444 1
1 622 . 18 1 1 A 56 56 LYS CB C 56 32.243 32.280 -0.037 1
1 626 . 18 1 1 A 56 56 LYS N N 56 119.649 118.437 1.212 1
1 627 . 18 1 1 A 57 57 ASN H H 57 8.238 8.091 0.147 1
1 628 . 18 1 1 A 57 57 ASN HA H 57 4.345 4.429 -0.084 1
1 633 . 18 1 1 A 57 57 ASN C C 57 177.379 177.819 -0.440 1
1 634 . 18 1 1 A 57 57 ASN CA C 57 55.515 56.054 -0.539 1
1 635 . 18 1 1 A 57 57 ASN CB C 57 37.887 38.140 -0.253 1
1 636 . 18 1 1 A 57 57 ASN N N 57 118.635 118.532 0.103 1
1 638 . 18 1 1 A 58 58 ARG H H 58 8.347 7.348 0.999 1
1 639 . 18 1 1 A 58 58 ARG HA H 58 3.419 3.574 -0.155 1
1 646 . 18 1 1 A 58 58 ARG C C 58 179.637 178.141 1.496 1
1 647 . 18 1 1 A 58 58 ARG CA C 58 56.820 59.328 -2.508 1
1 648 . 18 1 1 A 58 58 ARG CB C 58 28.359 29.056 -0.697 1
1 651 . 18 1 1 A 58 58 ARG N N 58 123.884 119.257 4.627 1
1 652 . 18 1 1 A 59 59 ARG H H 59 8.184 8.077 0.107 1
1 653 . 18 1 1 A 59 59 ARG HA H 59 4.124 4.179 -0.055 1
1 659 . 18 1 1 A 59 59 ARG C C 59 178.836 178.513 0.323 1
1 660 . 18 1 1 A 59 59 ARG CA C 59 60.478 59.753 0.725 1
1 661 . 18 1 1 A 59 59 ARG CB C 59 31.667 30.397 1.270 1
1 664 . 18 1 1 A 59 59 ARG N N 59 117.828 119.774 -1.946 1
1 665 . 18 1 1 A 60 60 ALA H H 60 7.407 7.643 -0.236 1
1 666 . 18 1 1 A 60 60 ALA HA H 60 4.183 4.103 0.080 1
1 670 . 18 1 1 A 60 60 ALA C C 60 179.370 179.291 0.079 1
1 671 . 18 1 1 A 60 60 ALA CA C 60 54.509 55.026 -0.517 1
1 672 . 18 1 1 A 60 60 ALA CB C 60 18.207 18.420 -0.213 1
1 673 . 18 1 1 A 60 60 ALA N N 60 121.238 120.425 0.813 1
1 674 . 18 1 1 A 61 61 LYS H H 61 7.564 8.115 -0.551 1
1 675 . 18 1 1 A 61 61 LYS HA H 61 4.143 3.871 0.272 1
1 684 . 18 1 1 A 61 61 LYS C C 61 177.767 178.603 -0.836 1
1 685 . 18 1 1 A 61 61 LYS CA C 61 57.671 59.496 -1.825 1
1 686 . 18 1 1 A 61 61 LYS CB C 61 32.490 32.150 0.340 1
1 690 . 18 1 1 A 61 61 LYS N N 61 118.322 118.121 0.201 1
1 691 . 18 1 1 A 62 62 CYS H H 62 7.725 7.794 -0.069 1
1 692 . 18 1 1 A 62 62 CYS HA H 62 4.401 3.982 0.419 1
1 695 . 18 1 1 A 62 62 CYS C C 62 175.752 177.046 -1.294 1
1 696 . 18 1 1 A 62 62 CYS CA C 62 60.540 62.707 -2.167 1
1 697 . 18 1 1 A 62 62 CYS CB C 62 27.654 26.618 1.036 1
1 698 . 18 1 1 A 62 62 CYS N N 62 117.981 118.663 -0.682 1
1 699 . 18 1 1 A 63 63 ARG H H 63 8.044 7.733 0.311 1
1 700 . 18 1 1 A 63 63 ARG HA H 63 4.273 3.998 0.275 1
1 705 . 18 1 1 A 63 63 ARG C C 63 177.233 178.635 -1.402 1
1 706 . 18 1 1 A 63 63 ARG CA C 63 57.631 60.079 -2.448 1
1 707 . 18 1 1 A 63 63 ARG CB C 63 30.347 30.012 0.335 1
1 710 . 18 1 1 A 63 63 ARG N N 63 121.313 120.031 1.282 1
1 711 . 18 1 1 A 64 64 GLN H H 64 8.217 7.953 0.264 1
1 712 . 18 1 1 A 64 64 GLN HA H 64 4.262 4.000 0.262 1
1 718 . 18 1 1 A 64 64 GLN C C 64 176.942 177.335 -0.393 1
1 719 . 18 1 1 A 64 64 GLN CA C 64 57.172 59.038 -1.866 1
1 720 . 18 1 1 A 64 64 GLN CB C 64 29.129 28.557 0.572 1
1 722 . 18 1 1 A 64 64 GLN N N 64 120.369 119.440 0.929 1
1 724 . 18 1 1 A 71 71 ASN CB C 71 37.967 39.752 -1.785 1
1 726 . 18 1 1 A 72 72 GLY HA2 H 72 3.984 4.213 -0.229 1
1 727 . 18 1 1 A 72 72 GLY HA3 H 72 3.984 4.214 -0.230 1
1 728 . 18 1 1 A 72 72 GLY C C 72 174.877 173.470 1.407 1
1 729 . 18 1 1 A 72 72 GLY CA C 72 45.604 46.203 -0.599 1
1 730 . 18 1 1 A 73 73 GLY H H 73 8.288 7.669 0.619 1
1 731 . 18 1 1 A 73 73 GLY HA2 H 73 3.986 4.108 -0.122 1
1 732 . 18 1 1 A 73 73 GLY HA3 H 73 3.986 4.108 -0.122 1
1 733 . 18 1 1 A 73 73 GLY C C 73 174.319 173.116 1.203 1
1 734 . 18 1 1 A 73 73 GLY CA C 73 45.322 43.953 1.369 1
1 735 . 18 1 1 A 73 73 GLY N N 73 108.597 104.468 4.129 1
1 736 . 18 1 1 A 74 74 GLN H H 74 8.281 8.288 -0.007 1
1 737 . 18 1 1 A 74 74 GLN HA H 74 4.413 4.697 -0.284 1
1 743 . 18 1 1 A 74 74 GLN C C 74 176.262 175.189 1.073 1
1 744 . 18 1 1 A 74 74 GLN CA C 74 55.973 54.246 1.727 1
1 745 . 18 1 1 A 74 74 GLN CB C 74 29.605 29.775 -0.170 1
1 747 . 18 1 1 A 74 74 GLN N N 74 119.866 117.104 2.762 1
1 749 . 18 1 1 A 75 75 SER H H 75 8.432 8.566 -0.134 1
1 750 . 18 1 1 A 75 75 SER HA H 75 4.524 5.181 -0.657 1
1 753 . 18 1 1 A 75 75 SER C C 75 174.586 174.007 0.579 1
1 754 . 18 1 1 A 75 75 SER CA C 75 58.513 57.121 1.392 1
1 755 . 18 1 1 A 75 75 SER CB C 75 64.061 64.456 -0.395 1
1 756 . 18 1 1 A 75 75 SER N N 75 117.073 117.569 -0.496 1
1 757 . 18 1 1 A 76 76 GLY H H 76 8.244 8.422 -0.178 1
1 758 . 18 1 1 A 76 76 GLY HA2 H 76 4.171 4.205 -0.034 1
1 759 . 18 1 1 A 76 76 GLY HA3 H 76 4.102 4.205 -0.103 1
1 760 . 18 1 1 A 76 76 GLY C C 76 171.842 174.182 -2.340 1
1 761 . 18 1 1 A 76 76 GLY CA C 76 44.617 45.223 -0.606 1
1 762 . 18 1 1 A 76 76 GLY N N 76 110.727 111.492 -0.765 1
1 763 . 18 1 1 A 77 77 PRO HA H 77 4.494 4.483 0.011 1
1 770 . 18 1 1 A 77 77 PRO C C 77 177.476 176.282 1.194 1
1 771 . 18 1 1 A 77 77 PRO CA C 77 63.380 63.953 -0.573 1
1 772 . 18 1 1 A 77 77 PRO CB C 77 32.231 31.967 0.264 1
1 775 . 18 1 1 A 78 78 SER H H 78 8.526 7.691 0.835 1
1 776 . 18 1 1 A 78 78 SER HA H 78 4.514 5.028 -0.514 1
1 779 . 18 1 1 A 78 78 SER C C 78 174.756 172.278 2.478 1
1 780 . 18 1 1 A 78 78 SER CA C 78 58.513 57.564 0.949 1
1 781 . 18 1 1 A 78 78 SER CB C 78 63.896 67.900 -4.004 1
1 782 . 18 1 1 A 78 78 SER N N 78 116.438 115.149 1.289 1
1 783 . 18 1 1 A 79 79 SER H H 79 8.329 8.805 -0.476 1
1 784 . 18 1 1 A 79 79 SER HA H 79 4.502 4.881 -0.379 1
1 787 . 18 1 1 A 79 79 SER C C 79 173.954 174.811 -0.857 1
1 788 . 18 1 1 A 79 79 SER CA C 79 58.477 57.442 1.035 1
1 789 . 18 1 1 A 79 79 SER CB C 79 64.019 64.428 -0.409 1
1 790 . 18 1 1 A 79 79 SER N N 79 117.859 117.925 -0.066 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.978 4.144 -0.166 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.978 4.146 -0.168 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.149 173.952 0.197 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.393 45.519 -0.126 1
1 5 . 19 1 1 A 8 8 ARG H H 8 8.135 7.987 0.148 1
1 6 . 19 1 1 A 8 8 ARG C C 8 176.480 175.602 0.878 1
1 7 . 19 1 1 A 8 8 ARG CA C 8 56.589 54.199 2.390 1
1 8 . 19 1 1 A 8 8 ARG CB C 8 30.686 33.385 -2.699 1
1 11 . 19 1 1 A 8 8 ARG N N 8 120.720 119.729 0.991 1
1 12 . 19 1 1 A 9 9 ARG H H 9 8.471 8.731 -0.260 1
1 13 . 19 1 1 A 9 9 ARG HA H 9 4.288 4.385 -0.097 1
1 14 . 19 1 1 A 9 9 ARG C C 9 176.504 178.563 -2.059 1
1 15 . 19 1 1 A 9 9 ARG CA C 9 56.432 57.762 -1.330 1
1 16 . 19 1 1 A 9 9 ARG CB C 9 30.466 31.545 -1.079 1
1 17 . 19 1 1 A 9 9 ARG N N 9 122.487 124.855 -2.368 1
1 18 . 19 1 1 A 13 13 THR HA H 13 4.365 4.279 0.086 1
1 23 . 19 1 1 A 13 13 THR C C 13 173.954 174.799 -0.845 1
1 24 . 19 1 1 A 13 13 THR CA C 13 61.440 65.123 -3.683 1
1 25 . 19 1 1 A 13 13 THR CB C 13 70.210 69.034 1.176 1
1 27 . 19 1 1 A 14 14 PHE H H 14 8.297 8.040 0.257 1
1 28 . 19 1 1 A 14 14 PHE HA H 14 4.941 4.616 0.325 1
1 36 . 19 1 1 A 14 14 PHE C C 14 176.650 175.619 1.031 1
1 37 . 19 1 1 A 14 14 PHE CA C 14 57.077 57.746 -0.669 1
1 38 . 19 1 1 A 14 14 PHE CB C 14 41.503 40.127 1.376 1
1 44 . 19 1 1 A 14 14 PHE N N 14 121.677 118.175 3.502 1
1 45 . 19 1 1 A 15 15 THR H H 15 9.009 8.825 0.184 1
1 46 . 19 1 1 A 15 15 THR HA H 15 4.493 4.715 -0.222 1
1 51 . 19 1 1 A 15 15 THR C C 15 175.314 176.203 -0.889 1
1 52 . 19 1 1 A 15 15 THR CA C 15 60.359 60.400 -0.041 1
1 53 . 19 1 1 A 15 15 THR CB C 15 70.902 71.608 -0.706 1
1 55 . 19 1 1 A 15 15 THR N N 15 113.381 114.734 -1.353 1
1 56 . 19 1 1 A 16 16 ARG H H 16 8.882 9.049 -0.167 1
1 57 . 19 1 1 A 16 16 ARG HA H 16 3.986 3.935 0.051 1
1 64 . 19 1 1 A 16 16 ARG C C 16 177.670 178.605 -0.935 1
1 65 . 19 1 1 A 16 16 ARG CA C 16 59.042 60.181 -1.139 1
1 66 . 19 1 1 A 16 16 ARG CB C 16 30.100 29.991 0.109 1
1 69 . 19 1 1 A 16 16 ARG N N 16 122.206 121.924 0.282 1
1 70 . 19 1 1 A 17 17 ALA H H 17 8.251 8.115 0.136 1
1 71 . 19 1 1 A 17 17 ALA HA H 17 4.159 3.998 0.161 1
1 75 . 19 1 1 A 17 17 ALA C C 17 181.386 179.959 1.427 1
1 76 . 19 1 1 A 17 17 ALA CA C 17 54.986 55.502 -0.516 1
1 77 . 19 1 1 A 17 17 ALA CB C 17 18.333 18.696 -0.363 1
1 78 . 19 1 1 A 17 17 ALA N N 17 119.149 121.842 -2.693 1
1 79 . 19 1 1 A 18 18 GLN H H 18 7.533 7.882 -0.349 1
1 80 . 19 1 1 A 18 18 GLN HA H 18 3.858 3.928 -0.070 1
1 87 . 19 1 1 A 18 18 GLN C C 18 177.986 178.661 -0.675 1
1 88 . 19 1 1 A 18 18 GLN CA C 18 58.790 59.131 -0.341 1
1 89 . 19 1 1 A 18 18 GLN CB C 18 28.603 28.130 0.473 1
1 91 . 19 1 1 A 18 18 GLN N N 18 116.295 117.187 -0.892 1
1 93 . 19 1 1 A 19 19 LEU H H 19 8.417 8.465 -0.048 1
1 94 . 19 1 1 A 19 19 LEU HA H 19 3.547 3.727 -0.180 1
1 104 . 19 1 1 A 19 19 LEU C C 19 178.617 178.448 0.169 1
1 105 . 19 1 1 A 19 19 LEU CA C 19 57.745 57.706 0.039 1
1 106 . 19 1 1 A 19 19 LEU CB C 19 41.584 41.466 0.118 1
1 110 . 19 1 1 A 19 19 LEU N N 19 118.955 119.779 -0.824 1
1 111 . 19 1 1 A 20 20 ASP H H 20 8.537 8.457 0.080 1
1 112 . 19 1 1 A 20 20 ASP HA H 20 4.291 4.277 0.014 1
1 115 . 19 1 1 A 20 20 ASP C C 20 179.783 178.497 1.286 1
1 116 . 19 1 1 A 20 20 ASP CA C 20 57.666 57.434 0.232 1
1 117 . 19 1 1 A 20 20 ASP CB C 20 39.965 40.267 -0.302 1
1 118 . 19 1 1 A 20 20 ASP N N 20 118.356 118.422 -0.066 1
1 119 . 19 1 1 A 21 21 VAL H H 21 7.006 7.241 -0.235 1
1 120 . 19 1 1 A 21 21 VAL HA H 21 3.667 3.670 -0.003 1
1 128 . 19 1 1 A 21 21 VAL C C 21 178.836 177.776 1.060 1
1 129 . 19 1 1 A 21 21 VAL CA C 21 66.062 66.106 -0.044 1
1 130 . 19 1 1 A 21 21 VAL CB C 21 32.006 31.779 0.227 1
1 133 . 19 1 1 A 21 21 VAL N N 21 120.507 120.026 0.481 1
1 134 . 19 1 1 A 22 22 LEU H H 22 7.638 7.848 -0.210 1
1 135 . 19 1 1 A 22 22 LEU HA H 22 3.557 3.447 0.110 1
1 145 . 19 1 1 A 22 22 LEU C C 22 178.277 178.758 -0.481 1
1 146 . 19 1 1 A 22 22 LEU CA C 22 58.595 57.885 0.710 1
1 147 . 19 1 1 A 22 22 LEU CB C 22 38.402 40.238 -1.836 1
1 151 . 19 1 1 A 22 22 LEU N N 22 122.874 119.098 3.776 1
1 152 . 19 1 1 A 23 23 GLU H H 23 8.880 8.388 0.492 1
1 153 . 19 1 1 A 23 23 GLU HA H 23 4.162 4.208 -0.046 1
1 157 . 19 1 1 A 23 23 GLU C C 23 180.123 178.900 1.223 1
1 158 . 19 1 1 A 23 23 GLU CA C 23 59.182 58.959 0.223 1
1 159 . 19 1 1 A 23 23 GLU CB C 23 29.111 29.542 -0.431 1
1 161 . 19 1 1 A 23 23 GLU N N 23 117.314 117.571 -0.257 1
1 162 . 19 1 1 A 24 24 ALA H H 24 7.614 7.613 0.001 1
1 163 . 19 1 1 A 24 24 ALA HA H 24 4.273 4.125 0.148 1
1 167 . 19 1 1 A 24 24 ALA C C 24 180.560 179.893 0.667 1
1 168 . 19 1 1 A 24 24 ALA CA C 24 55.023 55.246 -0.223 1
1 169 . 19 1 1 A 24 24 ALA CB C 24 17.775 18.475 -0.700 1
1 170 . 19 1 1 A 24 24 ALA N N 24 122.032 122.435 -0.403 1
1 171 . 19 1 1 A 25 25 LEU H H 25 7.673 8.079 -0.406 1
1 172 . 19 1 1 A 25 25 LEU HA H 25 4.507 4.185 0.322 1
1 182 . 19 1 1 A 25 25 LEU C C 25 177.694 178.823 -1.129 1
1 183 . 19 1 1 A 25 25 LEU CA C 25 57.913 57.920 -0.007 1
1 184 . 19 1 1 A 25 25 LEU CB C 25 40.753 41.694 -0.941 1
1 188 . 19 1 1 A 25 25 LEU N N 25 120.067 119.742 0.325 1
1 189 . 19 1 1 A 26 26 PHE H H 26 8.839 8.716 0.123 1
1 190 . 19 1 1 A 26 26 PHE HA H 26 4.765 4.494 0.271 1
1 198 . 19 1 1 A 26 26 PHE C C 26 175.800 177.964 -2.164 1
1 199 . 19 1 1 A 26 26 PHE CA C 26 61.017 60.923 0.094 1
1 200 . 19 1 1 A 26 26 PHE CB C 26 39.167 39.438 -0.271 1
1 206 . 19 1 1 A 26 26 PHE N N 26 121.428 120.102 1.326 1
1 207 . 19 1 1 A 27 27 ALA H H 27 7.825 8.009 -0.184 1
1 208 . 19 1 1 A 27 27 ALA HA H 27 4.062 4.178 -0.116 1
1 212 . 19 1 1 A 27 27 ALA C C 27 179.273 179.122 0.151 1
1 213 . 19 1 1 A 27 27 ALA CA C 27 53.975 54.477 -0.502 1
1 214 . 19 1 1 A 27 27 ALA CB C 27 18.276 18.717 -0.441 1
1 215 . 19 1 1 A 27 27 ALA N N 27 116.175 121.301 -5.126 1
1 216 . 19 1 1 A 28 28 LYS H H 28 7.618 7.965 -0.347 1
1 217 . 19 1 1 A 28 28 LYS HA H 28 4.251 4.244 0.007 1
1 225 . 19 1 1 A 28 28 LYS C C 28 177.354 176.571 0.783 1
1 226 . 19 1 1 A 28 28 LYS CA C 28 58.122 58.239 -0.117 1
1 227 . 19 1 1 A 28 28 LYS CB C 28 33.315 32.455 0.860 1
1 231 . 19 1 1 A 28 28 LYS N N 28 118.586 114.431 4.155 1
1 232 . 19 1 1 A 29 29 THR H H 29 8.820 7.904 0.916 1
1 233 . 19 1 1 A 29 29 THR HA H 29 4.410 4.617 -0.207 1
1 238 . 19 1 1 A 29 29 THR C C 29 170.360 174.336 -3.976 1
1 239 . 19 1 1 A 29 29 THR CA C 29 59.749 61.588 -1.839 1
1 240 . 19 1 1 A 29 29 THR CB C 29 68.972 70.578 -1.606 1
1 242 . 19 1 1 A 29 29 THR N N 29 116.094 113.244 2.850 1
1 243 . 19 1 1 A 30 30 ARG H H 30 8.203 8.593 -0.390 1
1 244 . 19 1 1 A 30 30 ARG HA H 30 3.957 4.303 -0.346 1
1 251 . 19 1 1 A 30 30 ARG C C 30 175.120 175.672 -0.552 1
1 252 . 19 1 1 A 30 30 ARG CA C 30 56.750 58.316 -1.566 1
1 253 . 19 1 1 A 30 30 ARG CB C 30 30.444 30.188 0.256 1
1 256 . 19 1 1 A 30 30 ARG N N 30 122.783 127.247 -4.464 1
1 257 . 19 1 1 A 31 31 TYR H H 31 8.002 7.555 0.447 1
1 258 . 19 1 1 A 31 31 TYR HA H 31 4.686 4.864 -0.178 1
1 265 . 19 1 1 A 31 31 TYR C C 31 172.910 172.601 0.309 1
1 266 . 19 1 1 A 31 31 TYR CA C 31 55.303 54.825 0.478 1
1 267 . 19 1 1 A 31 31 TYR CB C 31 39.057 38.331 0.726 1
1 272 . 19 1 1 A 31 31 TYR N N 31 114.710 117.485 -2.775 1
1 273 . 19 1 1 A 32 32 PRO HA H 32 4.427 4.600 -0.173 1
1 280 . 19 1 1 A 32 32 PRO C C 32 177.257 175.710 1.547 1
1 281 . 19 1 1 A 32 32 PRO CA C 32 62.838 62.527 0.311 1
1 282 . 19 1 1 A 32 32 PRO CB C 32 32.082 32.450 -0.368 1
1 285 . 19 1 1 A 33 33 ASP H H 33 7.804 8.653 -0.849 1
1 286 . 19 1 1 A 33 33 ASP HA H 33 4.509 4.861 -0.352 1
1 289 . 19 1 1 A 33 33 ASP C C 33 176.286 176.753 -0.467 1
1 290 . 19 1 1 A 33 33 ASP CA C 33 52.894 52.730 0.164 1
1 291 . 19 1 1 A 33 33 ASP CB C 33 41.475 42.994 -1.519 1
1 292 . 19 1 1 A 33 33 ASP N N 33 123.553 121.261 2.292 1
1 293 . 19 1 1 A 34 34 ILE H H 34 8.429 8.577 -0.148 1
1 294 . 19 1 1 A 34 34 ILE HA H 34 3.700 3.826 -0.126 1
1 304 . 19 1 1 A 34 34 ILE C C 34 175.412 177.677 -2.265 1
1 305 . 19 1 1 A 34 34 ILE CA C 34 63.602 64.276 -0.674 1
1 306 . 19 1 1 A 34 34 ILE CB C 34 37.846 37.679 0.167 1
1 310 . 19 1 1 A 34 34 ILE N N 34 117.269 125.112 -7.843 1
1 311 . 19 1 1 A 35 35 PHE H H 35 7.086 7.925 -0.839 1
1 312 . 19 1 1 A 35 35 PHE HA H 35 4.287 4.384 -0.097 1
1 320 . 19 1 1 A 35 35 PHE C C 35 179.589 178.348 1.241 1
1 321 . 19 1 1 A 35 35 PHE CA C 35 60.676 60.441 0.235 1
1 322 . 19 1 1 A 35 35 PHE CB C 35 37.731 38.647 -0.916 1
1 328 . 19 1 1 A 35 35 PHE N N 35 121.852 120.787 1.065 1
1 329 . 19 1 1 A 36 36 MET H H 36 8.559 8.364 0.195 1
1 330 . 19 1 1 A 36 36 MET HA H 36 4.216 4.031 0.185 1
1 338 . 19 1 1 A 36 36 MET C C 36 179.904 178.657 1.247 1
1 339 . 19 1 1 A 36 36 MET CA C 36 58.849 59.339 -0.490 1
1 340 . 19 1 1 A 36 36 MET CB C 36 33.757 32.805 0.952 1
1 343 . 19 1 1 A 36 36 MET N N 36 120.502 117.681 2.821 1
1 344 . 19 1 1 A 37 37 ARG H H 37 8.495 8.347 0.148 1
1 345 . 19 1 1 A 37 37 ARG HA H 37 3.839 4.062 -0.223 1
1 352 . 19 1 1 A 37 37 ARG C C 37 178.326 179.342 -1.016 1
1 353 . 19 1 1 A 37 37 ARG CA C 37 60.738 59.898 0.840 1
1 354 . 19 1 1 A 37 37 ARG CB C 37 31.601 30.083 1.518 1
1 357 . 19 1 1 A 37 37 ARG N N 37 117.379 118.920 -1.541 1
1 358 . 19 1 1 A 38 38 GLU H H 38 8.793 8.446 0.347 1
1 359 . 19 1 1 A 38 38 GLU HA H 38 4.028 4.084 -0.056 1
1 364 . 19 1 1 A 38 38 GLU C C 38 179.079 179.063 0.016 1
1 365 . 19 1 1 A 38 38 GLU CA C 38 59.682 59.257 0.425 1
1 366 . 19 1 1 A 38 38 GLU CB C 38 29.555 29.188 0.367 1
1 368 . 19 1 1 A 38 38 GLU N N 38 119.411 119.573 -0.162 1
1 369 . 19 1 1 A 39 39 GLU H H 39 7.909 7.980 -0.071 1
1 370 . 19 1 1 A 39 39 GLU HA H 39 4.090 4.125 -0.035 1
1 375 . 19 1 1 A 39 39 GLU C C 39 179.662 178.577 1.085 1
1 376 . 19 1 1 A 39 39 GLU CA C 39 59.776 59.294 0.482 1
1 377 . 19 1 1 A 39 39 GLU CB C 39 29.688 29.471 0.217 1
1 379 . 19 1 1 A 39 39 GLU N N 39 119.625 120.905 -1.280 1
1 380 . 19 1 1 A 40 40 VAL H H 40 7.732 8.018 -0.286 1
1 381 . 19 1 1 A 40 40 VAL HA H 40 3.836 3.594 0.242 1
1 389 . 19 1 1 A 40 40 VAL C C 40 176.674 178.127 -1.453 1
1 390 . 19 1 1 A 40 40 VAL CA C 40 65.856 66.785 -0.929 1
1 391 . 19 1 1 A 40 40 VAL CB C 40 31.416 31.555 -0.139 1
1 394 . 19 1 1 A 40 40 VAL N N 40 118.226 119.905 -1.679 1
1 395 . 19 1 1 A 41 41 ALA H H 41 8.405 8.328 0.077 1
1 396 . 19 1 1 A 41 41 ALA HA H 41 3.843 4.043 -0.200 1
1 400 . 19 1 1 A 41 41 ALA C C 41 179.856 179.246 0.610 1
1 401 . 19 1 1 A 41 41 ALA CA C 41 56.009 54.484 1.525 1
1 402 . 19 1 1 A 41 41 ALA CB C 41 17.646 18.493 -0.847 1
1 403 . 19 1 1 A 41 41 ALA N N 41 124.532 121.086 3.446 1
1 404 . 19 1 1 A 42 42 LEU H H 42 7.711 7.692 0.019 1
1 405 . 19 1 1 A 42 42 LEU HA H 42 4.199 4.182 0.017 1
1 415 . 19 1 1 A 42 42 LEU C C 42 180.317 179.022 1.295 1
1 416 . 19 1 1 A 42 42 LEU CA C 42 57.484 56.535 0.949 1
1 417 . 19 1 1 A 42 42 LEU CB C 42 42.346 42.039 0.307 1
1 421 . 19 1 1 A 42 42 LEU N N 42 116.217 118.151 -1.934 1
1 422 . 19 1 1 A 43 43 LYS H H 43 7.615 8.354 -0.739 1
1 423 . 19 1 1 A 43 43 LYS HA H 43 4.133 4.113 0.020 1
1 432 . 19 1 1 A 43 43 LYS C C 43 178.933 179.134 -0.201 1
1 433 . 19 1 1 A 43 43 LYS CA C 43 59.269 59.048 0.221 1
1 434 . 19 1 1 A 43 43 LYS CB C 43 33.232 32.736 0.496 1
1 438 . 19 1 1 A 43 43 LYS N N 43 118.909 120.745 -1.836 1
1 439 . 19 1 1 A 44 44 ILE H H 44 8.057 8.245 -0.188 1
1 440 . 19 1 1 A 44 44 ILE HA H 44 4.638 4.078 0.560 1
1 450 . 19 1 1 A 44 44 ILE C C 44 174.853 176.383 -1.530 1
1 451 . 19 1 1 A 44 44 ILE CA C 44 60.676 61.395 -0.719 1
1 452 . 19 1 1 A 44 44 ILE CB C 44 38.258 37.460 0.798 1
1 456 . 19 1 1 A 44 44 ILE N N 44 108.541 113.965 -5.424 1
1 457 . 19 1 1 A 45 45 ASN H H 45 7.885 8.182 -0.297 1
1 458 . 19 1 1 A 45 45 ASN HA H 45 4.400 4.369 0.031 1
1 463 . 19 1 1 A 45 45 ASN C C 45 173.857 173.856 0.001 1
1 464 . 19 1 1 A 45 45 ASN CA C 45 54.104 54.028 0.076 1
1 465 . 19 1 1 A 45 45 ASN CB C 45 37.082 37.187 -0.105 1
1 466 . 19 1 1 A 45 45 ASN N N 45 119.396 120.344 -0.948 1
1 468 . 19 1 1 A 46 46 LEU H H 46 8.195 7.868 0.327 1
1 469 . 19 1 1 A 46 46 LEU HA H 46 4.961 4.793 0.168 1
1 479 . 19 1 1 A 46 46 LEU CA C 46 52.101 51.484 0.617 1
1 480 . 19 1 1 A 46 46 LEU CB C 46 46.563 45.337 1.226 1
1 484 . 19 1 1 A 46 46 LEU N N 46 119.142 118.525 0.617 1
1 485 . 19 1 1 A 47 47 PRO HA H 47 4.547 4.686 -0.139 1
1 492 . 19 1 1 A 47 47 PRO C C 47 178.350 178.029 0.321 1
1 493 . 19 1 1 A 47 47 PRO CA C 47 62.434 62.917 -0.483 1
1 494 . 19 1 1 A 47 47 PRO CB C 47 32.295 31.615 0.680 1
1 497 . 19 1 1 A 48 48 GLU H H 48 9.242 8.703 0.539 1
1 498 . 19 1 1 A 48 48 GLU HA H 48 3.689 3.971 -0.282 1
1 503 . 19 1 1 A 48 48 GLU C C 48 178.326 178.722 -0.396 1
1 504 . 19 1 1 A 48 48 GLU CA C 48 61.058 59.952 1.106 1
1 505 . 19 1 1 A 48 48 GLU CB C 48 28.537 29.327 -0.790 1
1 507 . 19 1 1 A 48 48 GLU N N 48 125.487 123.860 1.627 1
1 508 . 19 1 1 A 49 49 SER H H 49 8.653 8.152 0.501 1
1 509 . 19 1 1 A 49 49 SER HA H 49 4.058 4.159 -0.101 1
1 512 . 19 1 1 A 49 49 SER C C 49 177.549 176.847 0.702 1
1 513 . 19 1 1 A 49 49 SER CA C 49 61.266 62.022 -0.756 1
1 514 . 19 1 1 A 49 49 SER CB C 49 61.658 62.890 -1.232 1
1 515 . 19 1 1 A 49 49 SER N N 49 113.467 117.555 -4.088 1
1 516 . 19 1 1 A 50 50 ARG H H 50 7.489 7.843 -0.354 1
1 517 . 19 1 1 A 50 50 ARG HA H 50 4.344 4.197 0.147 1
1 524 . 19 1 1 A 50 50 ARG C C 50 179.467 179.246 0.221 1
1 525 . 19 1 1 A 50 50 ARG CA C 50 57.575 59.280 -1.705 1
1 526 . 19 1 1 A 50 50 ARG CB C 50 29.523 29.836 -0.313 1
1 529 . 19 1 1 A 50 50 ARG N N 50 120.329 121.772 -1.443 1
1 530 . 19 1 1 A 51 51 VAL H H 51 7.598 7.888 -0.290 1
1 531 . 19 1 1 A 51 51 VAL HA H 51 3.733 3.735 -0.002 1
1 539 . 19 1 1 A 51 51 VAL C C 51 177.767 178.163 -0.396 1
1 540 . 19 1 1 A 51 51 VAL CA C 51 67.082 67.265 -0.183 1
1 541 . 19 1 1 A 51 51 VAL CB C 51 31.945 31.636 0.309 1
1 544 . 19 1 1 A 51 51 VAL N N 51 121.456 120.566 0.890 1
1 545 . 19 1 1 A 52 52 GLN H H 52 8.579 7.959 0.620 1
1 546 . 19 1 1 A 52 52 GLN HA H 52 4.338 4.231 0.107 1
1 553 . 19 1 1 A 52 52 GLN C C 52 178.836 178.201 0.635 1
1 554 . 19 1 1 A 52 52 GLN CA C 52 60.257 59.470 0.787 1
1 555 . 19 1 1 A 52 52 GLN CB C 52 28.377 28.407 -0.030 1
1 557 . 19 1 1 A 52 52 GLN N N 52 119.679 119.911 -0.232 1
1 559 . 19 1 1 A 53 53 VAL H H 53 7.777 7.984 -0.207 1
1 560 . 19 1 1 A 53 53 VAL HA H 53 3.667 3.728 -0.061 1
1 568 . 19 1 1 A 53 53 VAL C C 53 177.379 178.146 -0.767 1
1 569 . 19 1 1 A 53 53 VAL CA C 53 67.004 66.653 0.351 1
1 570 . 19 1 1 A 53 53 VAL CB C 53 32.237 31.792 0.445 1
1 573 . 19 1 1 A 53 53 VAL N N 53 119.215 119.721 -0.506 1
1 574 . 19 1 1 A 54 54 TRP H H 54 8.177 8.737 -0.560 1
1 575 . 19 1 1 A 54 54 TRP HA H 54 4.074 4.110 -0.036 1
1 584 . 19 1 1 A 54 54 TRP C C 54 179.589 178.165 1.424 1
1 585 . 19 1 1 A 54 54 TRP CA C 54 63.273 60.836 2.437 1
1 586 . 19 1 1 A 54 54 TRP CB C 54 28.458 29.645 -1.187 1
1 592 . 19 1 1 A 54 54 TRP N N 54 120.980 121.271 -0.291 1
1 594 . 19 1 1 A 55 55 PHE H H 55 8.755 8.078 0.677 1
1 595 . 19 1 1 A 55 55 PHE HA H 55 3.626 3.824 -0.198 1
1 603 . 19 1 1 A 55 55 PHE C C 55 177.937 178.216 -0.279 1
1 604 . 19 1 1 A 55 55 PHE CA C 55 64.064 61.139 2.925 1
1 605 . 19 1 1 A 55 55 PHE CB C 55 39.579 38.670 0.909 1
1 611 . 19 1 1 A 55 55 PHE N N 55 118.177 117.527 0.650 1
1 612 . 19 1 1 A 56 56 LYS H H 56 8.169 7.940 0.229 1
1 613 . 19 1 1 A 56 56 LYS HA H 56 3.914 3.898 0.016 1
1 620 . 19 1 1 A 56 56 LYS C C 56 179.929 179.132 0.797 1
1 621 . 19 1 1 A 56 56 LYS CA C 56 60.488 59.585 0.903 1
1 622 . 19 1 1 A 56 56 LYS CB C 56 32.243 32.364 -0.121 1
1 626 . 19 1 1 A 56 56 LYS N N 56 119.649 118.112 1.537 1
1 627 . 19 1 1 A 57 57 ASN H H 57 8.238 7.752 0.486 1
1 628 . 19 1 1 A 57 57 ASN HA H 57 4.345 4.457 -0.112 1
1 633 . 19 1 1 A 57 57 ASN C C 57 177.379 177.397 -0.018 1
1 634 . 19 1 1 A 57 57 ASN CA C 57 55.515 55.697 -0.182 1
1 635 . 19 1 1 A 57 57 ASN CB C 57 37.887 38.252 -0.365 1
1 636 . 19 1 1 A 57 57 ASN N N 57 118.635 118.339 0.296 1
1 638 . 19 1 1 A 58 58 ARG H H 58 8.347 7.709 0.638 1
1 639 . 19 1 1 A 58 58 ARG HA H 58 3.419 3.459 -0.040 1
1 646 . 19 1 1 A 58 58 ARG C C 58 179.637 178.401 1.236 1
1 647 . 19 1 1 A 58 58 ARG CA C 58 56.820 58.989 -2.169 1
1 648 . 19 1 1 A 58 58 ARG CB C 58 28.359 29.313 -0.954 1
1 651 . 19 1 1 A 58 58 ARG N N 58 123.884 119.617 4.267 1
1 652 . 19 1 1 A 59 59 ARG H H 59 8.184 7.892 0.292 1
1 653 . 19 1 1 A 59 59 ARG HA H 59 4.124 4.038 0.086 1
1 659 . 19 1 1 A 59 59 ARG C C 59 178.836 178.791 0.045 1
1 660 . 19 1 1 A 59 59 ARG CA C 59 60.478 59.330 1.148 1
1 661 . 19 1 1 A 59 59 ARG CB C 59 31.667 29.851 1.816 1
1 664 . 19 1 1 A 59 59 ARG N N 59 117.828 117.721 0.107 1
1 665 . 19 1 1 A 60 60 ALA H H 60 7.407 8.166 -0.759 1
1 666 . 19 1 1 A 60 60 ALA HA H 60 4.183 4.054 0.129 1
1 670 . 19 1 1 A 60 60 ALA C C 60 179.370 179.261 0.109 1
1 671 . 19 1 1 A 60 60 ALA CA C 60 54.509 55.134 -0.625 1
1 672 . 19 1 1 A 60 60 ALA CB C 60 18.207 18.892 -0.685 1
1 673 . 19 1 1 A 60 60 ALA N N 60 121.238 121.969 -0.731 1
1 674 . 19 1 1 A 61 61 LYS H H 61 7.564 8.151 -0.587 1
1 675 . 19 1 1 A 61 61 LYS HA H 61 4.143 3.895 0.248 1
1 684 . 19 1 1 A 61 61 LYS C C 61 177.767 178.137 -0.370 1
1 685 . 19 1 1 A 61 61 LYS CA C 61 57.671 59.818 -2.147 1
1 686 . 19 1 1 A 61 61 LYS CB C 61 32.490 32.444 0.046 1
1 690 . 19 1 1 A 61 61 LYS N N 61 118.322 118.340 -0.018 1
1 691 . 19 1 1 A 62 62 CYS H H 62 7.725 8.228 -0.503 1
1 692 . 19 1 1 A 62 62 CYS HA H 62 4.401 4.005 0.396 1
1 695 . 19 1 1 A 62 62 CYS C C 62 175.752 176.677 -0.925 1
1 696 . 19 1 1 A 62 62 CYS CA C 62 60.540 62.885 -2.345 1
1 697 . 19 1 1 A 62 62 CYS CB C 62 27.654 27.000 0.654 1
1 698 . 19 1 1 A 62 62 CYS N N 62 117.981 117.860 0.121 1
1 699 . 19 1 1 A 63 63 ARG H H 63 8.044 8.202 -0.158 1
1 700 . 19 1 1 A 63 63 ARG HA H 63 4.273 3.930 0.343 1
1 705 . 19 1 1 A 63 63 ARG C C 63 177.233 178.542 -1.309 1
1 706 . 19 1 1 A 63 63 ARG CA C 63 57.631 59.383 -1.752 1
1 707 . 19 1 1 A 63 63 ARG CB C 63 30.347 29.958 0.389 1
1 710 . 19 1 1 A 63 63 ARG N N 63 121.313 120.264 1.049 1
1 711 . 19 1 1 A 64 64 GLN H H 64 8.217 8.241 -0.024 1
1 712 . 19 1 1 A 64 64 GLN HA H 64 4.262 4.036 0.226 1
1 718 . 19 1 1 A 64 64 GLN C C 64 176.942 177.002 -0.060 1
1 719 . 19 1 1 A 64 64 GLN CA C 64 57.172 58.959 -1.787 1
1 720 . 19 1 1 A 64 64 GLN CB C 64 29.129 29.066 0.063 1
1 722 . 19 1 1 A 64 64 GLN N N 64 120.369 118.909 1.460 1
1 724 . 19 1 1 A 71 71 ASN CB C 71 37.967 41.885 -3.918 1
1 726 . 19 1 1 A 72 72 GLY HA2 H 72 3.984 4.103 -0.119 1
1 727 . 19 1 1 A 72 72 GLY HA3 H 72 3.984 4.103 -0.119 1
1 728 . 19 1 1 A 72 72 GLY C C 72 174.877 173.965 0.912 1
1 729 . 19 1 1 A 72 72 GLY CA C 72 45.604 44.593 1.011 1
1 730 . 19 1 1 A 73 73 GLY H H 73 8.288 7.864 0.424 1
1 731 . 19 1 1 A 73 73 GLY HA2 H 73 3.986 4.490 -0.504 1
1 732 . 19 1 1 A 73 73 GLY HA3 H 73 3.986 4.491 -0.505 1
1 733 . 19 1 1 A 73 73 GLY C C 73 174.319 171.592 2.727 1
1 734 . 19 1 1 A 73 73 GLY CA C 73 45.322 46.188 -0.866 1
1 735 . 19 1 1 A 73 73 GLY N N 73 108.597 111.995 -3.398 1
1 736 . 19 1 1 A 74 74 GLN H H 74 8.281 8.509 -0.228 1
1 737 . 19 1 1 A 74 74 GLN HA H 74 4.413 5.109 -0.696 1
1 743 . 19 1 1 A 74 74 GLN C C 74 176.262 173.574 2.688 1
1 744 . 19 1 1 A 74 74 GLN CA C 74 55.973 55.244 0.729 1
1 745 . 19 1 1 A 74 74 GLN CB C 74 29.605 33.216 -3.611 1
1 747 . 19 1 1 A 74 74 GLN N N 74 119.866 120.352 -0.486 1
1 749 . 19 1 1 A 75 75 SER H H 75 8.432 8.789 -0.357 1
1 750 . 19 1 1 A 75 75 SER HA H 75 4.524 5.058 -0.534 1
1 753 . 19 1 1 A 75 75 SER C C 75 174.586 172.850 1.736 1
1 754 . 19 1 1 A 75 75 SER CA C 75 58.513 56.409 2.104 1
1 755 . 19 1 1 A 75 75 SER CB C 75 64.061 66.104 -2.043 1
1 756 . 19 1 1 A 75 75 SER N N 75 117.073 118.687 -1.614 1
1 757 . 19 1 1 A 76 76 GLY H H 76 8.244 8.353 -0.109 1
1 758 . 19 1 1 A 76 76 GLY HA2 H 76 4.171 4.298 -0.127 1
1 759 . 19 1 1 A 76 76 GLY HA3 H 76 4.102 4.299 -0.197 1
1 760 . 19 1 1 A 76 76 GLY C C 76 171.842 171.021 0.821 1
1 761 . 19 1 1 A 76 76 GLY CA C 76 44.617 45.097 -0.480 1
1 762 . 19 1 1 A 76 76 GLY N N 76 110.727 109.663 1.064 1
1 763 . 19 1 1 A 77 77 PRO HA H 77 4.494 4.718 -0.224 1
1 770 . 19 1 1 A 77 77 PRO C C 77 177.476 176.329 1.147 1
1 771 . 19 1 1 A 77 77 PRO CA C 77 63.380 62.777 0.603 1
1 772 . 19 1 1 A 77 77 PRO CB C 77 32.231 33.190 -0.959 1
1 775 . 19 1 1 A 78 78 SER H H 78 8.526 8.856 -0.330 1
1 776 . 19 1 1 A 78 78 SER HA H 78 4.514 4.551 -0.037 1
1 779 . 19 1 1 A 78 78 SER C C 78 174.756 174.271 0.485 1
1 780 . 19 1 1 A 78 78 SER CA C 78 58.513 60.091 -1.578 1
1 781 . 19 1 1 A 78 78 SER CB C 78 63.896 64.202 -0.306 1
1 782 . 19 1 1 A 78 78 SER N N 78 116.438 115.884 0.554 1
1 783 . 19 1 1 A 79 79 SER H H 79 8.329 7.919 0.410 1
1 784 . 19 1 1 A 79 79 SER HA H 79 4.502 4.582 -0.080 1
1 787 . 19 1 1 A 79 79 SER C C 79 173.954 174.544 -0.590 1
1 788 . 19 1 1 A 79 79 SER CA C 79 58.477 56.769 1.708 1
1 789 . 19 1 1 A 79 79 SER CB C 79 64.019 64.125 -0.106 1
1 790 . 19 1 1 A 79 79 SER N N 79 117.859 113.646 4.213 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.978 4.095 -0.117 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.978 4.095 -0.117 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.149 174.621 -0.472 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.393 44.508 0.885 1
1 5 . 20 1 1 A 8 8 ARG H H 8 8.135 8.767 -0.632 1
1 6 . 20 1 1 A 8 8 ARG C C 8 176.480 175.611 0.869 1
1 7 . 20 1 1 A 8 8 ARG CA C 8 56.589 58.171 -1.582 1
1 8 . 20 1 1 A 8 8 ARG CB C 8 30.686 30.965 -0.279 1
1 11 . 20 1 1 A 8 8 ARG N N 8 120.720 119.141 1.579 1
1 12 . 20 1 1 A 9 9 ARG H H 9 8.471 7.851 0.620 1
1 13 . 20 1 1 A 9 9 ARG HA H 9 4.288 3.873 0.415 1
1 14 . 20 1 1 A 9 9 ARG C C 9 176.504 175.089 1.415 1
1 15 . 20 1 1 A 9 9 ARG CA C 9 56.432 57.062 -0.630 1
1 16 . 20 1 1 A 9 9 ARG CB C 9 30.466 27.466 3.000 1
1 17 . 20 1 1 A 9 9 ARG N N 9 122.487 116.079 6.408 1
1 18 . 20 1 1 A 13 13 THR HA H 13 4.365 4.333 0.032 1
1 23 . 20 1 1 A 13 13 THR C C 13 173.954 174.532 -0.578 1
1 24 . 20 1 1 A 13 13 THR CA C 13 61.440 63.956 -2.516 1
1 25 . 20 1 1 A 13 13 THR CB C 13 70.210 69.587 0.623 1
1 27 . 20 1 1 A 14 14 PHE H H 14 8.297 7.839 0.458 1
1 28 . 20 1 1 A 14 14 PHE HA H 14 4.941 4.832 0.109 1
1 36 . 20 1 1 A 14 14 PHE C C 14 176.650 175.090 1.560 1
1 37 . 20 1 1 A 14 14 PHE CA C 14 57.077 57.802 -0.725 1
1 38 . 20 1 1 A 14 14 PHE CB C 14 41.503 40.475 1.028 1
1 44 . 20 1 1 A 14 14 PHE N N 14 121.677 118.069 3.608 1
1 45 . 20 1 1 A 15 15 THR H H 15 9.009 8.481 0.528 1
1 46 . 20 1 1 A 15 15 THR HA H 15 4.493 5.096 -0.603 1
1 51 . 20 1 1 A 15 15 THR C C 15 175.314 175.088 0.226 1
1 52 . 20 1 1 A 15 15 THR CA C 15 60.359 59.789 0.570 1
1 53 . 20 1 1 A 15 15 THR CB C 15 70.902 70.918 -0.016 1
1 55 . 20 1 1 A 15 15 THR N N 15 113.381 115.180 -1.799 1
1 56 . 20 1 1 A 16 16 ARG H H 16 8.882 9.015 -0.133 1
1 57 . 20 1 1 A 16 16 ARG HA H 16 3.986 3.956 0.030 1
1 64 . 20 1 1 A 16 16 ARG C C 16 177.670 177.898 -0.228 1
1 65 . 20 1 1 A 16 16 ARG CA C 16 59.042 60.073 -1.031 1
1 66 . 20 1 1 A 16 16 ARG CB C 16 30.100 29.983 0.117 1
1 69 . 20 1 1 A 16 16 ARG N N 16 122.206 126.864 -4.658 1
1 70 . 20 1 1 A 17 17 ALA H H 17 8.251 8.117 0.134 1
1 71 . 20 1 1 A 17 17 ALA HA H 17 4.159 4.064 0.095 1
1 75 . 20 1 1 A 17 17 ALA C C 17 181.386 180.203 1.183 1
1 76 . 20 1 1 A 17 17 ALA CA C 17 54.986 55.365 -0.379 1
1 77 . 20 1 1 A 17 17 ALA CB C 17 18.333 18.180 0.153 1
1 78 . 20 1 1 A 17 17 ALA N N 17 119.149 121.163 -2.014 1
1 79 . 20 1 1 A 18 18 GLN H H 18 7.533 8.345 -0.812 1
1 80 . 20 1 1 A 18 18 GLN HA H 18 3.858 3.917 -0.059 1
1 87 . 20 1 1 A 18 18 GLN C C 18 177.986 178.620 -0.634 1
1 88 . 20 1 1 A 18 18 GLN CA C 18 58.790 59.066 -0.276 1
1 89 . 20 1 1 A 18 18 GLN CB C 18 28.603 28.165 0.438 1
1 91 . 20 1 1 A 18 18 GLN N N 18 116.295 117.358 -1.063 1
1 93 . 20 1 1 A 19 19 LEU H H 19 8.417 8.592 -0.175 1
1 94 . 20 1 1 A 19 19 LEU HA H 19 3.547 3.607 -0.060 1
1 104 . 20 1 1 A 19 19 LEU C C 19 178.617 178.439 0.178 1
1 105 . 20 1 1 A 19 19 LEU CA C 19 57.745 57.630 0.115 1
1 106 . 20 1 1 A 19 19 LEU CB C 19 41.584 41.783 -0.199 1
1 110 . 20 1 1 A 19 19 LEU N N 19 118.955 120.511 -1.556 1
1 111 . 20 1 1 A 20 20 ASP H H 20 8.537 8.301 0.236 1
1 112 . 20 1 1 A 20 20 ASP HA H 20 4.291 4.252 0.039 1
1 115 . 20 1 1 A 20 20 ASP C C 20 179.783 178.578 1.205 1
1 116 . 20 1 1 A 20 20 ASP CA C 20 57.666 57.349 0.317 1
1 117 . 20 1 1 A 20 20 ASP CB C 20 39.965 41.063 -1.098 1
1 118 . 20 1 1 A 20 20 ASP N N 20 118.356 118.304 0.052 1
1 119 . 20 1 1 A 21 21 VAL H H 21 7.006 7.651 -0.645 1
1 120 . 20 1 1 A 21 21 VAL HA H 21 3.667 3.521 0.146 1
1 128 . 20 1 1 A 21 21 VAL C C 21 178.836 177.809 1.027 1
1 129 . 20 1 1 A 21 21 VAL CA C 21 66.062 66.508 -0.446 1
1 130 . 20 1 1 A 21 21 VAL CB C 21 32.006 31.532 0.474 1
1 133 . 20 1 1 A 21 21 VAL N N 21 120.507 118.795 1.712 1
1 134 . 20 1 1 A 22 22 LEU H H 22 7.638 8.000 -0.362 1
1 135 . 20 1 1 A 22 22 LEU HA H 22 3.557 3.529 0.028 1
1 145 . 20 1 1 A 22 22 LEU C C 22 178.277 178.898 -0.621 1
1 146 . 20 1 1 A 22 22 LEU CA C 22 58.595 58.048 0.547 1
1 147 . 20 1 1 A 22 22 LEU CB C 22 38.402 40.628 -2.226 1
1 151 . 20 1 1 A 22 22 LEU N N 22 122.874 119.244 3.630 1
1 152 . 20 1 1 A 23 23 GLU H H 23 8.880 8.176 0.704 1
1 153 . 20 1 1 A 23 23 GLU HA H 23 4.162 4.040 0.122 1
1 157 . 20 1 1 A 23 23 GLU C C 23 180.123 178.841 1.282 1
1 158 . 20 1 1 A 23 23 GLU CA C 23 59.182 58.940 0.242 1
1 159 . 20 1 1 A 23 23 GLU CB C 23 29.111 29.748 -0.637 1
1 161 . 20 1 1 A 23 23 GLU N N 23 117.314 117.568 -0.254 1
1 162 . 20 1 1 A 24 24 ALA H H 24 7.614 8.108 -0.494 1
1 163 . 20 1 1 A 24 24 ALA HA H 24 4.273 4.078 0.195 1
1 167 . 20 1 1 A 24 24 ALA C C 24 180.560 179.489 1.071 1
1 168 . 20 1 1 A 24 24 ALA CA C 24 55.023 54.749 0.274 1
1 169 . 20 1 1 A 24 24 ALA CB C 24 17.775 18.551 -0.776 1
1 170 . 20 1 1 A 24 24 ALA N N 24 122.032 122.160 -0.128 1
1 171 . 20 1 1 A 25 25 LEU H H 25 7.673 7.597 0.076 1
1 172 . 20 1 1 A 25 25 LEU HA H 25 4.507 4.178 0.329 1
1 182 . 20 1 1 A 25 25 LEU C C 25 177.694 178.339 -0.645 1
1 183 . 20 1 1 A 25 25 LEU CA C 25 57.913 57.352 0.561 1
1 184 . 20 1 1 A 25 25 LEU CB C 25 40.753 42.211 -1.458 1
1 188 . 20 1 1 A 25 25 LEU N N 25 120.067 119.784 0.283 1
1 189 . 20 1 1 A 26 26 PHE H H 26 8.839 8.354 0.485 1
1 190 . 20 1 1 A 26 26 PHE HA H 26 4.765 4.379 0.386 1
1 198 . 20 1 1 A 26 26 PHE C C 26 175.800 177.206 -1.406 1
1 199 . 20 1 1 A 26 26 PHE CA C 26 61.017 59.861 1.156 1
1 200 . 20 1 1 A 26 26 PHE CB C 26 39.167 39.733 -0.566 1
1 206 . 20 1 1 A 26 26 PHE N N 26 121.428 120.039 1.389 1
1 207 . 20 1 1 A 27 27 ALA H H 27 7.825 7.822 0.003 1
1 208 . 20 1 1 A 27 27 ALA HA H 27 4.062 4.143 -0.081 1
1 212 . 20 1 1 A 27 27 ALA C C 27 179.273 178.607 0.666 1
1 213 . 20 1 1 A 27 27 ALA CA C 27 53.975 53.304 0.671 1
1 214 . 20 1 1 A 27 27 ALA CB C 27 18.276 19.037 -0.761 1
1 215 . 20 1 1 A 27 27 ALA N N 27 116.175 121.326 -5.151 1
1 216 . 20 1 1 A 28 28 LYS H H 28 7.618 7.813 -0.195 1
1 217 . 20 1 1 A 28 28 LYS HA H 28 4.251 4.369 -0.118 1
1 225 . 20 1 1 A 28 28 LYS C C 28 177.354 175.998 1.356 1
1 226 . 20 1 1 A 28 28 LYS CA C 28 58.122 58.102 0.020 1
1 227 . 20 1 1 A 28 28 LYS CB C 28 33.315 33.504 -0.189 1
1 231 . 20 1 1 A 28 28 LYS N N 28 118.586 113.892 4.694 1
1 232 . 20 1 1 A 29 29 THR H H 29 8.820 7.765 1.055 1
1 233 . 20 1 1 A 29 29 THR HA H 29 4.410 4.673 -0.263 1
1 238 . 20 1 1 A 29 29 THR C C 29 170.360 174.411 -4.051 1
1 239 . 20 1 1 A 29 29 THR CA C 29 59.749 60.770 -1.021 1
1 240 . 20 1 1 A 29 29 THR CB C 29 68.972 70.351 -1.379 1
1 242 . 20 1 1 A 29 29 THR N N 29 116.094 113.425 2.669 1
1 243 . 20 1 1 A 30 30 ARG H H 30 8.203 8.574 -0.371 1
1 244 . 20 1 1 A 30 30 ARG HA H 30 3.957 4.088 -0.131 1
1 251 . 20 1 1 A 30 30 ARG C C 30 175.120 175.636 -0.516 1
1 252 . 20 1 1 A 30 30 ARG CA C 30 56.750 58.559 -1.809 1
1 253 . 20 1 1 A 30 30 ARG CB C 30 30.444 29.786 0.658 1
1 256 . 20 1 1 A 30 30 ARG N N 30 122.783 127.780 -4.997 1
1 257 . 20 1 1 A 31 31 TYR H H 31 8.002 7.872 0.130 1
1 258 . 20 1 1 A 31 31 TYR HA H 31 4.686 5.021 -0.335 1
1 265 . 20 1 1 A 31 31 TYR C C 31 172.910 172.721 0.189 1
1 266 . 20 1 1 A 31 31 TYR CA C 31 55.303 54.788 0.515 1
1 267 . 20 1 1 A 31 31 TYR CB C 31 39.057 38.456 0.601 1
1 272 . 20 1 1 A 31 31 TYR N N 31 114.710 117.157 -2.447 1
1 273 . 20 1 1 A 32 32 PRO HA H 32 4.427 4.587 -0.160 1
1 280 . 20 1 1 A 32 32 PRO C C 32 177.257 175.940 1.317 1
1 281 . 20 1 1 A 32 32 PRO CA C 32 62.838 62.878 -0.040 1
1 282 . 20 1 1 A 32 32 PRO CB C 32 32.082 32.203 -0.121 1
1 285 . 20 1 1 A 33 33 ASP H H 33 7.804 8.645 -0.841 1
1 286 . 20 1 1 A 33 33 ASP HA H 33 4.509 4.799 -0.290 1
1 289 . 20 1 1 A 33 33 ASP C C 33 176.286 176.797 -0.511 1
1 290 . 20 1 1 A 33 33 ASP CA C 33 52.894 52.910 -0.016 1
1 291 . 20 1 1 A 33 33 ASP CB C 33 41.475 42.689 -1.214 1
1 292 . 20 1 1 A 33 33 ASP N N 33 123.553 121.454 2.099 1
1 293 . 20 1 1 A 34 34 ILE H H 34 8.429 8.607 -0.178 1
1 294 . 20 1 1 A 34 34 ILE HA H 34 3.700 3.857 -0.157 1
1 304 . 20 1 1 A 34 34 ILE C C 34 175.412 177.689 -2.277 1
1 305 . 20 1 1 A 34 34 ILE CA C 34 63.602 64.227 -0.625 1
1 306 . 20 1 1 A 34 34 ILE CB C 34 37.846 37.684 0.162 1
1 310 . 20 1 1 A 34 34 ILE N N 34 117.269 125.115 -7.846 1
1 311 . 20 1 1 A 35 35 PHE H H 35 7.086 7.957 -0.871 1
1 312 . 20 1 1 A 35 35 PHE HA H 35 4.287 4.376 -0.089 1
1 320 . 20 1 1 A 35 35 PHE C C 35 179.589 178.332 1.257 1
1 321 . 20 1 1 A 35 35 PHE CA C 35 60.676 60.455 0.221 1
1 322 . 20 1 1 A 35 35 PHE CB C 35 37.731 38.673 -0.942 1
1 328 . 20 1 1 A 35 35 PHE N N 35 121.852 121.136 0.716 1
1 329 . 20 1 1 A 36 36 MET H H 36 8.559 8.313 0.246 1
1 330 . 20 1 1 A 36 36 MET HA H 36 4.216 4.069 0.147 1
1 338 . 20 1 1 A 36 36 MET C C 36 179.904 178.694 1.210 1
1 339 . 20 1 1 A 36 36 MET CA C 36 58.849 59.162 -0.313 1
1 340 . 20 1 1 A 36 36 MET CB C 36 33.757 32.575 1.182 1
1 343 . 20 1 1 A 36 36 MET N N 36 120.502 117.563 2.939 1
1 344 . 20 1 1 A 37 37 ARG H H 37 8.495 8.210 0.285 1
1 345 . 20 1 1 A 37 37 ARG HA H 37 3.839 4.023 -0.184 1
1 352 . 20 1 1 A 37 37 ARG C C 37 178.326 179.328 -1.002 1
1 353 . 20 1 1 A 37 37 ARG CA C 37 60.738 59.919 0.819 1
1 354 . 20 1 1 A 37 37 ARG CB C 37 31.601 30.096 1.505 1
1 357 . 20 1 1 A 37 37 ARG N N 37 117.379 118.960 -1.581 1
1 358 . 20 1 1 A 38 38 GLU H H 38 8.793 8.588 0.205 1
1 359 . 20 1 1 A 38 38 GLU HA H 38 4.028 4.059 -0.031 1
1 364 . 20 1 1 A 38 38 GLU C C 38 179.079 178.853 0.226 1
1 365 . 20 1 1 A 38 38 GLU CA C 38 59.682 59.096 0.586 1
1 366 . 20 1 1 A 38 38 GLU CB C 38 29.555 29.180 0.375 1
1 368 . 20 1 1 A 38 38 GLU N N 38 119.411 119.745 -0.334 1
1 369 . 20 1 1 A 39 39 GLU H H 39 7.909 8.095 -0.186 1
1 370 . 20 1 1 A 39 39 GLU HA H 39 4.090 4.112 -0.022 1
1 375 . 20 1 1 A 39 39 GLU C C 39 179.662 178.659 1.003 1
1 376 . 20 1 1 A 39 39 GLU CA C 39 59.776 59.271 0.505 1
1 377 . 20 1 1 A 39 39 GLU CB C 39 29.688 29.514 0.174 1
1 379 . 20 1 1 A 39 39 GLU N N 39 119.625 120.325 -0.700 1
1 380 . 20 1 1 A 40 40 VAL H H 40 7.732 8.017 -0.285 1
1 381 . 20 1 1 A 40 40 VAL HA H 40 3.836 3.595 0.241 1
1 389 . 20 1 1 A 40 40 VAL C C 40 176.674 178.169 -1.495 1
1 390 . 20 1 1 A 40 40 VAL CA C 40 65.856 66.781 -0.925 1
1 391 . 20 1 1 A 40 40 VAL CB C 40 31.416 31.515 -0.099 1
1 394 . 20 1 1 A 40 40 VAL N N 40 118.226 119.902 -1.676 1
1 395 . 20 1 1 A 41 41 ALA H H 41 8.405 8.445 -0.040 1
1 396 . 20 1 1 A 41 41 ALA HA H 41 3.843 4.025 -0.182 1
1 400 . 20 1 1 A 41 41 ALA C C 41 179.856 179.396 0.460 1
1 401 . 20 1 1 A 41 41 ALA CA C 41 56.009 54.828 1.181 1
1 402 . 20 1 1 A 41 41 ALA CB C 41 17.646 18.655 -1.009 1
1 403 . 20 1 1 A 41 41 ALA N N 41 124.532 121.097 3.435 1
1 404 . 20 1 1 A 42 42 LEU H H 42 7.711 7.706 0.005 1
1 405 . 20 1 1 A 42 42 LEU HA H 42 4.199 4.183 0.016 1
1 415 . 20 1 1 A 42 42 LEU C C 42 180.317 179.136 1.181 1
1 416 . 20 1 1 A 42 42 LEU CA C 42 57.484 56.518 0.966 1
1 417 . 20 1 1 A 42 42 LEU CB C 42 42.346 42.094 0.252 1
1 421 . 20 1 1 A 42 42 LEU N N 42 116.217 118.851 -2.634 1
1 422 . 20 1 1 A 43 43 LYS H H 43 7.615 8.289 -0.674 1
1 423 . 20 1 1 A 43 43 LYS HA H 43 4.133 4.072 0.061 1
1 432 . 20 1 1 A 43 43 LYS C C 43 178.933 179.268 -0.335 1
1 433 . 20 1 1 A 43 43 LYS CA C 43 59.269 59.147 0.122 1
1 434 . 20 1 1 A 43 43 LYS CB C 43 33.232 32.508 0.724 1
1 438 . 20 1 1 A 43 43 LYS N N 43 118.909 120.813 -1.904 1
1 439 . 20 1 1 A 44 44 ILE H H 44 8.057 8.130 -0.073 1
1 440 . 20 1 1 A 44 44 ILE HA H 44 4.638 4.058 0.580 1
1 450 . 20 1 1 A 44 44 ILE C C 44 174.853 176.622 -1.769 1
1 451 . 20 1 1 A 44 44 ILE CA C 44 60.676 61.951 -1.275 1
1 452 . 20 1 1 A 44 44 ILE CB C 44 38.258 37.898 0.360 1
1 456 . 20 1 1 A 44 44 ILE N N 44 108.541 115.153 -6.612 1
1 457 . 20 1 1 A 45 45 ASN H H 45 7.885 8.214 -0.329 1
1 458 . 20 1 1 A 45 45 ASN HA H 45 4.400 4.350 0.050 1
1 463 . 20 1 1 A 45 45 ASN C C 45 173.857 173.893 -0.036 1
1 464 . 20 1 1 A 45 45 ASN CA C 45 54.104 54.115 -0.011 1
1 465 . 20 1 1 A 45 45 ASN CB C 45 37.082 37.253 -0.171 1
1 466 . 20 1 1 A 45 45 ASN N N 45 119.396 120.428 -1.032 1
1 468 . 20 1 1 A 46 46 LEU H H 46 8.195 7.815 0.380 1
1 469 . 20 1 1 A 46 46 LEU HA H 46 4.961 4.810 0.151 1
1 479 . 20 1 1 A 46 46 LEU CA C 46 52.101 51.433 0.668 1
1 480 . 20 1 1 A 46 46 LEU CB C 46 46.563 45.210 1.353 1
1 484 . 20 1 1 A 46 46 LEU N N 46 119.142 118.593 0.549 1
1 485 . 20 1 1 A 47 47 PRO HA H 47 4.547 4.690 -0.143 1
1 492 . 20 1 1 A 47 47 PRO C C 47 178.350 177.849 0.501 1
1 493 . 20 1 1 A 47 47 PRO CA C 47 62.434 62.881 -0.447 1
1 494 . 20 1 1 A 47 47 PRO CB C 47 32.295 31.991 0.304 1
1 497 . 20 1 1 A 48 48 GLU H H 48 9.242 9.071 0.171 1
1 498 . 20 1 1 A 48 48 GLU HA H 48 3.689 4.018 -0.329 1
1 503 . 20 1 1 A 48 48 GLU C C 48 178.326 178.319 0.007 1
1 504 . 20 1 1 A 48 48 GLU CA C 48 61.058 59.657 1.401 1
1 505 . 20 1 1 A 48 48 GLU CB C 48 28.537 29.579 -1.042 1
1 507 . 20 1 1 A 48 48 GLU N N 48 125.487 125.099 0.388 1
1 508 . 20 1 1 A 49 49 SER H H 49 8.653 8.169 0.484 1
1 509 . 20 1 1 A 49 49 SER HA H 49 4.058 4.147 -0.089 1
1 512 . 20 1 1 A 49 49 SER C C 49 177.549 176.950 0.599 1
1 513 . 20 1 1 A 49 49 SER CA C 49 61.266 61.921 -0.655 1
1 514 . 20 1 1 A 49 49 SER CB C 49 61.658 62.798 -1.140 1
1 515 . 20 1 1 A 49 49 SER N N 49 113.467 117.957 -4.490 1
1 516 . 20 1 1 A 50 50 ARG H H 50 7.489 7.750 -0.261 1
1 517 . 20 1 1 A 50 50 ARG HA H 50 4.344 4.220 0.124 1
1 524 . 20 1 1 A 50 50 ARG C C 50 179.467 179.018 0.449 1
1 525 . 20 1 1 A 50 50 ARG CA C 50 57.575 59.294 -1.719 1
1 526 . 20 1 1 A 50 50 ARG CB C 50 29.523 30.316 -0.793 1
1 529 . 20 1 1 A 50 50 ARG N N 50 120.329 121.716 -1.387 1
1 530 . 20 1 1 A 51 51 VAL H H 51 7.598 7.727 -0.129 1
1 531 . 20 1 1 A 51 51 VAL HA H 51 3.733 3.685 0.048 1
1 539 . 20 1 1 A 51 51 VAL C C 51 177.767 178.079 -0.312 1
1 540 . 20 1 1 A 51 51 VAL CA C 51 67.082 66.643 0.439 1
1 541 . 20 1 1 A 51 51 VAL CB C 51 31.945 31.792 0.153 1
1 544 . 20 1 1 A 51 51 VAL N N 51 121.456 120.349 1.107 1
1 545 . 20 1 1 A 52 52 GLN H H 52 8.579 8.433 0.146 1
1 546 . 20 1 1 A 52 52 GLN HA H 52 4.338 4.103 0.235 1
1 553 . 20 1 1 A 52 52 GLN C C 52 178.836 178.329 0.507 1
1 554 . 20 1 1 A 52 52 GLN CA C 52 60.257 59.397 0.860 1
1 555 . 20 1 1 A 52 52 GLN CB C 52 28.377 28.434 -0.057 1
1 557 . 20 1 1 A 52 52 GLN N N 52 119.679 119.612 0.067 1
1 559 . 20 1 1 A 53 53 VAL H H 53 7.777 8.377 -0.600 1
1 560 . 20 1 1 A 53 53 VAL HA H 53 3.667 3.691 -0.024 1
1 568 . 20 1 1 A 53 53 VAL C C 53 177.379 178.305 -0.926 1
1 569 . 20 1 1 A 53 53 VAL CA C 53 67.004 66.766 0.238 1
1 570 . 20 1 1 A 53 53 VAL CB C 53 32.237 31.741 0.496 1
1 573 . 20 1 1 A 53 53 VAL N N 53 119.215 119.329 -0.114 1
1 574 . 20 1 1 A 54 54 TRP H H 54 8.177 8.419 -0.242 1
1 575 . 20 1 1 A 54 54 TRP HA H 54 4.074 4.151 -0.077 1
1 584 . 20 1 1 A 54 54 TRP C C 54 179.589 178.073 1.516 1
1 585 . 20 1 1 A 54 54 TRP CA C 54 63.273 60.727 2.546 1
1 586 . 20 1 1 A 54 54 TRP CB C 54 28.458 29.899 -1.441 1
1 592 . 20 1 1 A 54 54 TRP N N 54 120.980 121.238 -0.258 1
1 594 . 20 1 1 A 55 55 PHE H H 55 8.755 7.856 0.899 1
1 595 . 20 1 1 A 55 55 PHE HA H 55 3.626 4.137 -0.511 1
1 603 . 20 1 1 A 55 55 PHE C C 55 177.937 178.547 -0.610 1
1 604 . 20 1 1 A 55 55 PHE CA C 55 64.064 60.909 3.155 1
1 605 . 20 1 1 A 55 55 PHE CB C 55 39.579 39.044 0.535 1
1 611 . 20 1 1 A 55 55 PHE N N 55 118.177 117.769 0.408 1
1 612 . 20 1 1 A 56 56 LYS H H 56 8.169 7.926 0.243 1
1 613 . 20 1 1 A 56 56 LYS HA H 56 3.914 4.133 -0.219 1
1 620 . 20 1 1 A 56 56 LYS C C 56 179.929 178.533 1.396 1
1 621 . 20 1 1 A 56 56 LYS CA C 56 60.488 58.879 1.609 1
1 622 . 20 1 1 A 56 56 LYS CB C 56 32.243 31.689 0.554 1
1 626 . 20 1 1 A 56 56 LYS N N 56 119.649 118.423 1.226 1
1 627 . 20 1 1 A 57 57 ASN H H 57 8.238 7.977 0.261 1
1 628 . 20 1 1 A 57 57 ASN HA H 57 4.345 4.401 -0.056 1
1 633 . 20 1 1 A 57 57 ASN C C 57 177.379 177.529 -0.150 1
1 634 . 20 1 1 A 57 57 ASN CA C 57 55.515 55.608 -0.093 1
1 635 . 20 1 1 A 57 57 ASN CB C 57 37.887 38.346 -0.459 1
1 636 . 20 1 1 A 57 57 ASN N N 57 118.635 117.777 0.858 1
1 638 . 20 1 1 A 58 58 ARG H H 58 8.347 7.331 1.016 1
1 639 . 20 1 1 A 58 58 ARG HA H 58 3.419 3.746 -0.327 1
1 646 . 20 1 1 A 58 58 ARG C C 58 179.637 178.263 1.374 1
1 647 . 20 1 1 A 58 58 ARG CA C 58 56.820 59.061 -2.241 1
1 648 . 20 1 1 A 58 58 ARG CB C 58 28.359 29.371 -1.012 1
1 651 . 20 1 1 A 58 58 ARG N N 58 123.884 119.051 4.833 1
1 652 . 20 1 1 A 59 59 ARG H H 59 8.184 7.706 0.478 1
1 653 . 20 1 1 A 59 59 ARG HA H 59 4.124 4.198 -0.074 1
1 659 . 20 1 1 A 59 59 ARG C C 59 178.836 178.355 0.481 1
1 660 . 20 1 1 A 59 59 ARG CA C 59 60.478 59.675 0.803 1
1 661 . 20 1 1 A 59 59 ARG CB C 59 31.667 30.163 1.504 1
1 664 . 20 1 1 A 59 59 ARG N N 59 117.828 119.902 -2.074 1
1 665 . 20 1 1 A 60 60 ALA H H 60 7.407 7.602 -0.195 1
1 666 . 20 1 1 A 60 60 ALA HA H 60 4.183 4.091 0.092 1
1 670 . 20 1 1 A 60 60 ALA C C 60 179.370 179.353 0.017 1
1 671 . 20 1 1 A 60 60 ALA CA C 60 54.509 55.234 -0.725 1
1 672 . 20 1 1 A 60 60 ALA CB C 60 18.207 18.461 -0.254 1
1 673 . 20 1 1 A 60 60 ALA N N 60 121.238 120.926 0.312 1
1 674 . 20 1 1 A 61 61 LYS H H 61 7.564 8.318 -0.754 1
1 675 . 20 1 1 A 61 61 LYS HA H 61 4.143 3.905 0.238 1
1 684 . 20 1 1 A 61 61 LYS C C 61 177.767 178.427 -0.660 1
1 685 . 20 1 1 A 61 61 LYS CA C 61 57.671 59.879 -2.208 1
1 686 . 20 1 1 A 61 61 LYS CB C 61 32.490 32.445 0.045 1
1 690 . 20 1 1 A 61 61 LYS N N 61 118.322 117.929 0.393 1
1 691 . 20 1 1 A 62 62 CYS H H 62 7.725 7.912 -0.187 1
1 692 . 20 1 1 A 62 62 CYS HA H 62 4.401 4.019 0.382 1
1 695 . 20 1 1 A 62 62 CYS C C 62 175.752 177.053 -1.301 1
1 696 . 20 1 1 A 62 62 CYS CA C 62 60.540 62.971 -2.431 1
1 697 . 20 1 1 A 62 62 CYS CB C 62 27.654 27.025 0.629 1
1 698 . 20 1 1 A 62 62 CYS N N 62 117.981 117.991 -0.010 1
1 699 . 20 1 1 A 63 63 ARG H H 63 8.044 8.181 -0.137 1
1 700 . 20 1 1 A 63 63 ARG HA H 63 4.273 4.052 0.221 1
1 705 . 20 1 1 A 63 63 ARG C C 63 177.233 178.432 -1.199 1
1 706 . 20 1 1 A 63 63 ARG CA C 63 57.631 59.545 -1.914 1
1 707 . 20 1 1 A 63 63 ARG CB C 63 30.347 29.871 0.476 1
1 710 . 20 1 1 A 63 63 ARG N N 63 121.313 121.312 0.001 1
1 711 . 20 1 1 A 64 64 GLN H H 64 8.217 8.066 0.151 1
1 712 . 20 1 1 A 64 64 GLN HA H 64 4.262 4.032 0.230 1
1 718 . 20 1 1 A 64 64 GLN C C 64 176.942 177.335 -0.393 1
1 719 . 20 1 1 A 64 64 GLN CA C 64 57.172 59.288 -2.116 1
1 720 . 20 1 1 A 64 64 GLN CB C 64 29.129 28.364 0.765 1
1 722 . 20 1 1 A 64 64 GLN N N 64 120.369 119.676 0.693 1
1 724 . 20 1 1 A 71 71 ASN CB C 71 37.967 40.549 -2.582 1
1 726 . 20 1 1 A 72 72 GLY HA2 H 72 3.984 4.037 -0.053 1
1 727 . 20 1 1 A 72 72 GLY HA3 H 72 3.984 4.037 -0.053 1
1 728 . 20 1 1 A 72 72 GLY C C 72 174.877 174.071 0.806 1
1 729 . 20 1 1 A 72 72 GLY CA C 72 45.604 44.855 0.749 1
1 730 . 20 1 1 A 73 73 GLY H H 73 8.288 8.658 -0.370 1
1 731 . 20 1 1 A 73 73 GLY HA2 H 73 3.986 4.143 -0.157 1
1 732 . 20 1 1 A 73 73 GLY HA3 H 73 3.986 4.146 -0.160 1
1 733 . 20 1 1 A 73 73 GLY C C 73 174.319 173.805 0.514 1
1 734 . 20 1 1 A 73 73 GLY CA C 73 45.322 44.677 0.645 1
1 735 . 20 1 1 A 73 73 GLY N N 73 108.597 108.352 0.245 1
1 736 . 20 1 1 A 74 74 GLN H H 74 8.281 8.508 -0.227 1
1 737 . 20 1 1 A 74 74 GLN HA H 74 4.413 4.466 -0.053 1
1 743 . 20 1 1 A 74 74 GLN C C 74 176.262 175.101 1.161 1
1 744 . 20 1 1 A 74 74 GLN CA C 74 55.973 55.314 0.659 1
1 745 . 20 1 1 A 74 74 GLN CB C 74 29.605 27.915 1.690 1
1 747 . 20 1 1 A 74 74 GLN N N 74 119.866 121.261 -1.395 1
1 749 . 20 1 1 A 75 75 SER H H 75 8.432 8.152 0.280 1
1 750 . 20 1 1 A 75 75 SER HA H 75 4.524 5.091 -0.567 1
1 753 . 20 1 1 A 75 75 SER C C 75 174.586 174.806 -0.220 1
1 754 . 20 1 1 A 75 75 SER CA C 75 58.513 56.863 1.650 1
1 755 . 20 1 1 A 75 75 SER CB C 75 64.061 65.368 -1.307 1
1 756 . 20 1 1 A 75 75 SER N N 75 117.073 118.648 -1.575 1
1 757 . 20 1 1 A 76 76 GLY H H 76 8.244 8.405 -0.161 1
1 758 . 20 1 1 A 76 76 GLY HA2 H 76 4.171 4.152 0.019 1
1 759 . 20 1 1 A 76 76 GLY HA3 H 76 4.102 4.152 -0.050 1
1 760 . 20 1 1 A 76 76 GLY C C 76 171.842 174.665 -2.823 1
1 761 . 20 1 1 A 76 76 GLY CA C 76 44.617 43.967 0.650 1
1 762 . 20 1 1 A 76 76 GLY N N 76 110.727 108.016 2.711 1
1 763 . 20 1 1 A 77 77 PRO HA H 77 4.494 4.495 -0.001 1
1 770 . 20 1 1 A 77 77 PRO C C 77 177.476 176.016 1.460 1
1 771 . 20 1 1 A 77 77 PRO CA C 77 63.380 63.909 -0.529 1
1 772 . 20 1 1 A 77 77 PRO CB C 77 32.231 31.675 0.556 1
1 775 . 20 1 1 A 78 78 SER H H 78 8.526 8.103 0.423 1
1 776 . 20 1 1 A 78 78 SER HA H 78 4.514 4.567 -0.053 1
1 779 . 20 1 1 A 78 78 SER C C 78 174.756 173.544 1.212 1
1 780 . 20 1 1 A 78 78 SER CA C 78 58.513 57.051 1.462 1
1 781 . 20 1 1 A 78 78 SER CB C 78 63.896 63.036 0.860 1
1 782 . 20 1 1 A 78 78 SER N N 78 116.438 116.149 0.289 1
1 783 . 20 1 1 A 79 79 SER H H 79 8.329 8.983 -0.654 1
1 784 . 20 1 1 A 79 79 SER HA H 79 4.502 4.760 -0.258 1
1 787 . 20 1 1 A 79 79 SER C C 79 173.954 174.594 -0.640 1
1 788 . 20 1 1 A 79 79 SER CA C 79 58.477 59.191 -0.714 1
1 789 . 20 1 1 A 79 79 SER CB C 79 64.019 65.261 -1.242 1
1 790 . 20 1 1 A 79 79 SER N N 79 117.859 122.796 -4.937 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 1.242 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 1.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 60 1.186 1
4 1 1 1 "RMS(OBS, PRED)" H 57 0.481 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.248 1
6 1 1 1 "RMS(OBS, PRED)" N 57 2.610 1
7 1 2 1 "RMS(OBS, PRED)" C 62 1.151 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 1.203 1
9 1 2 1 "RMS(OBS, PRED)" CB 60 1.022 1
10 1 2 1 "RMS(OBS, PRED)" H 57 0.447 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.259 1
12 1 2 1 "RMS(OBS, PRED)" N 57 2.640 1
13 1 3 1 "RMS(OBS, PRED)" C 62 1.179 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 1.172 1
15 1 3 1 "RMS(OBS, PRED)" CB 60 1.018 1
16 1 3 1 "RMS(OBS, PRED)" H 57 0.497 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.249 1
18 1 3 1 "RMS(OBS, PRED)" N 57 2.550 1
19 1 4 1 "RMS(OBS, PRED)" C 62 1.289 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 1.204 1
21 1 4 1 "RMS(OBS, PRED)" CB 60 1.242 1
22 1 4 1 "RMS(OBS, PRED)" H 57 0.467 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.283 1
24 1 4 1 "RMS(OBS, PRED)" N 57 2.684 1
25 1 5 1 "RMS(OBS, PRED)" C 62 1.174 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 1.156 1
27 1 5 1 "RMS(OBS, PRED)" CB 60 1.048 1
28 1 5 1 "RMS(OBS, PRED)" H 57 0.479 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.248 1
30 1 5 1 "RMS(OBS, PRED)" N 57 2.721 1
31 1 6 1 "RMS(OBS, PRED)" C 62 1.167 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 1.218 1
33 1 6 1 "RMS(OBS, PRED)" CB 60 1.034 1
34 1 6 1 "RMS(OBS, PRED)" H 57 0.420 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.280 1
36 1 6 1 "RMS(OBS, PRED)" N 57 2.540 1
37 1 7 1 "RMS(OBS, PRED)" C 62 1.254 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 1.177 1
39 1 7 1 "RMS(OBS, PRED)" CB 60 1.128 1
40 1 7 1 "RMS(OBS, PRED)" H 57 0.427 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.274 1
42 1 7 1 "RMS(OBS, PRED)" N 57 2.940 1
43 1 8 1 "RMS(OBS, PRED)" C 62 1.203 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 1.341 1
45 1 8 1 "RMS(OBS, PRED)" CB 60 1.201 1
46 1 8 1 "RMS(OBS, PRED)" H 57 0.418 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.250 1
48 1 8 1 "RMS(OBS, PRED)" N 57 2.679 1
49 1 9 1 "RMS(OBS, PRED)" C 62 1.118 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 1.231 1
51 1 9 1 "RMS(OBS, PRED)" CB 60 0.867 1
52 1 9 1 "RMS(OBS, PRED)" H 57 0.458 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.256 1
54 1 9 1 "RMS(OBS, PRED)" N 57 2.518 1
55 1 10 1 "RMS(OBS, PRED)" C 62 1.225 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 1.069 1
57 1 10 1 "RMS(OBS, PRED)" CB 60 1.180 1
58 1 10 1 "RMS(OBS, PRED)" H 57 0.440 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.235 1
60 1 10 1 "RMS(OBS, PRED)" N 57 2.620 1
61 1 11 1 "RMS(OBS, PRED)" C 62 1.143 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 1.141 1
63 1 11 1 "RMS(OBS, PRED)" CB 60 1.025 1
64 1 11 1 "RMS(OBS, PRED)" H 57 0.448 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.293 1
66 1 11 1 "RMS(OBS, PRED)" N 57 2.669 1
67 1 12 1 "RMS(OBS, PRED)" C 62 1.167 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 1.228 1
69 1 12 1 "RMS(OBS, PRED)" CB 60 1.046 1
70 1 12 1 "RMS(OBS, PRED)" H 57 0.475 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.238 1
72 1 12 1 "RMS(OBS, PRED)" N 57 2.589 1
73 1 13 1 "RMS(OBS, PRED)" C 62 1.119 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 1.119 1
75 1 13 1 "RMS(OBS, PRED)" CB 60 1.137 1
76 1 13 1 "RMS(OBS, PRED)" H 57 0.444 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.228 1
78 1 13 1 "RMS(OBS, PRED)" N 57 2.197 1
79 1 14 1 "RMS(OBS, PRED)" C 62 1.202 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 1.166 1
81 1 14 1 "RMS(OBS, PRED)" CB 60 0.864 1
82 1 14 1 "RMS(OBS, PRED)" H 57 0.448 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.253 1
84 1 14 1 "RMS(OBS, PRED)" N 57 2.680 1
85 1 15 1 "RMS(OBS, PRED)" C 62 1.204 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 1.324 1
87 1 15 1 "RMS(OBS, PRED)" CB 60 1.126 1
88 1 15 1 "RMS(OBS, PRED)" H 57 0.403 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.245 1
90 1 15 1 "RMS(OBS, PRED)" N 57 2.647 1
91 1 16 1 "RMS(OBS, PRED)" C 62 1.280 1
92 1 16 1 "RMS(OBS, PRED)" CA 63 1.192 1
93 1 16 1 "RMS(OBS, PRED)" CB 60 1.260 1
94 1 16 1 "RMS(OBS, PRED)" H 57 0.437 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.262 1
96 1 16 1 "RMS(OBS, PRED)" N 57 2.805 1
97 1 17 1 "RMS(OBS, PRED)" C 62 1.189 1
98 1 17 1 "RMS(OBS, PRED)" CA 63 1.067 1
99 1 17 1 "RMS(OBS, PRED)" CB 60 0.919 1
100 1 17 1 "RMS(OBS, PRED)" H 57 0.403 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.247 1
102 1 17 1 "RMS(OBS, PRED)" N 57 2.581 1
103 1 18 1 "RMS(OBS, PRED)" C 62 1.162 1
104 1 18 1 "RMS(OBS, PRED)" CA 63 1.177 1
105 1 18 1 "RMS(OBS, PRED)" CB 60 1.084 1
106 1 18 1 "RMS(OBS, PRED)" H 57 0.453 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.269 1
108 1 18 1 "RMS(OBS, PRED)" N 57 2.554 1
109 1 19 1 "RMS(OBS, PRED)" C 62 1.204 1
110 1 19 1 "RMS(OBS, PRED)" CA 63 1.230 1
111 1 19 1 "RMS(OBS, PRED)" CB 60 1.135 1
112 1 19 1 "RMS(OBS, PRED)" H 57 0.408 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.231 1
114 1 19 1 "RMS(OBS, PRED)" N 57 2.460 1
115 1 20 1 "RMS(OBS, PRED)" C 62 1.152 1
116 1 20 1 "RMS(OBS, PRED)" CA 63 1.170 1
117 1 20 1 "RMS(OBS, PRED)" CB 60 0.995 1
118 1 20 1 "RMS(OBS, PRED)" H 57 0.462 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.222 1
120 1 20 1 "RMS(OBS, PRED)" N 57 2.781 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.978 4.082 -0.104 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.978 4.083 -0.105 2
1 3 . 1 1 A 7 7 GLY C C 7 174.149 173.472 0.677 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.393 45.446 -0.053 2
1 5 . 1 1 A 8 8 ARG H H 8 8.135 8.375 -0.240 2
1 6 . 1 1 A 8 8 ARG C C 8 176.480 175.627 0.853 2
1 7 . 1 1 A 8 8 ARG CA C 8 56.589 55.300 1.289 2
1 8 . 1 1 A 8 8 ARG CB C 8 30.686 32.277 -1.591 2
1 11 . 1 1 A 8 8 ARG N N 8 120.720 121.411 -0.691 2
1 12 . 1 1 A 9 9 ARG H H 9 8.471 8.528 -0.057 2
1 13 . 1 1 A 9 9 ARG HA H 9 4.288 4.363 -0.075 2
1 14 . 1 1 A 9 9 ARG C C 9 176.504 175.866 0.638 2
1 15 . 1 1 A 9 9 ARG CA C 9 56.432 56.508 -0.076 2
1 16 . 1 1 A 9 9 ARG CB C 9 30.466 30.766 -0.300 2
1 17 . 1 1 A 9 9 ARG N N 9 122.487 122.689 -0.202 2
1 18 . 1 1 A 13 13 THR HA H 13 4.365 4.379 -0.014 2
1 23 . 1 1 A 13 13 THR C C 13 173.954 174.118 -0.164 2
1 24 . 1 1 A 13 13 THR CA C 13 61.440 62.981 -1.541 2
1 25 . 1 1 A 13 13 THR CB C 13 70.210 69.775 0.435 2
1 27 . 1 1 A 14 14 PHE H H 14 8.297 8.338 -0.041 2
1 28 . 1 1 A 14 14 PHE HA H 14 4.941 5.062 -0.121 2
1 36 . 1 1 A 14 14 PHE C C 14 176.650 175.446 1.204 2
1 37 . 1 1 A 14 14 PHE CA C 14 57.077 57.283 -0.206 2
1 38 . 1 1 A 14 14 PHE CB C 14 41.503 40.402 1.101 2
1 44 . 1 1 A 14 14 PHE N N 14 121.677 120.756 0.921 2
1 45 . 1 1 A 15 15 THR H H 15 9.009 8.713 0.296 2
1 46 . 1 1 A 15 15 THR HA H 15 4.493 4.770 -0.277 2
1 51 . 1 1 A 15 15 THR C C 15 175.314 175.716 -0.402 2
1 52 . 1 1 A 15 15 THR CA C 15 60.359 60.384 -0.025 2
1 53 . 1 1 A 15 15 THR CB C 15 70.902 71.006 -0.104 2
1 55 . 1 1 A 15 15 THR N N 15 113.381 116.014 -2.633 2
1 56 . 1 1 A 16 16 ARG H H 16 8.882 9.018 -0.136 2
1 57 . 1 1 A 16 16 ARG HA H 16 3.986 3.949 0.037 2
1 64 . 1 1 A 16 16 ARG C C 16 177.670 178.298 -0.628 2
1 65 . 1 1 A 16 16 ARG CA C 16 59.042 60.108 -1.066 2
1 66 . 1 1 A 16 16 ARG CB C 16 30.100 29.997 0.103 2
1 69 . 1 1 A 16 16 ARG N N 16 122.206 124.750 -2.544 2
1 70 . 1 1 A 17 17 ALA H H 17 8.251 8.151 0.100 2
1 71 . 1 1 A 17 17 ALA HA H 17 4.159 4.048 0.111 2
1 75 . 1 1 A 17 17 ALA C C 17 181.386 180.082 1.304 2
1 76 . 1 1 A 17 17 ALA CA C 17 54.986 55.318 -0.332 2
1 77 . 1 1 A 17 17 ALA CB C 17 18.333 18.271 0.062 2
1 78 . 1 1 A 17 17 ALA N N 17 119.149 121.409 -2.261 2
1 79 . 1 1 A 18 18 GLN H H 18 7.533 8.055 -0.522 2
1 80 . 1 1 A 18 18 GLN HA H 18 3.858 4.002 -0.144 2
1 87 . 1 1 A 18 18 GLN C C 18 177.986 178.681 -0.695 2
1 88 . 1 1 A 18 18 GLN CA C 18 58.790 58.922 -0.132 2
1 89 . 1 1 A 18 18 GLN CB C 18 28.603 28.368 0.235 2
1 91 . 1 1 A 18 18 GLN N N 18 116.295 117.478 -1.184 2
1 93 . 1 1 A 19 19 LEU H H 19 8.417 8.441 -0.025 2
1 94 . 1 1 A 19 19 LEU HA H 19 3.547 3.738 -0.191 2
1 104 . 1 1 A 19 19 LEU C C 19 178.617 178.345 0.272 2
1 105 . 1 1 A 19 19 LEU CA C 19 57.745 57.723 0.022 2
1 106 . 1 1 A 19 19 LEU CB C 19 41.584 41.570 0.014 2
1 110 . 1 1 A 19 19 LEU N N 19 118.955 120.385 -1.430 2
1 111 . 1 1 A 20 20 ASP H H 20 8.537 8.396 0.141 2
1 112 . 1 1 A 20 20 ASP HA H 20 4.291 4.286 0.005 2
1 115 . 1 1 A 20 20 ASP C C 20 179.783 178.555 1.228 2
1 116 . 1 1 A 20 20 ASP CA C 20 57.666 57.352 0.314 2
1 117 . 1 1 A 20 20 ASP CB C 20 39.965 40.865 -0.900 2
1 118 . 1 1 A 20 20 ASP N N 20 118.356 118.739 -0.383 2
1 119 . 1 1 A 21 21 VAL H H 21 7.006 7.516 -0.510 2
1 120 . 1 1 A 21 21 VAL HA H 21 3.667 3.581 0.086 2
1 128 . 1 1 A 21 21 VAL C C 21 178.836 177.787 1.049 2
1 129 . 1 1 A 21 21 VAL CA C 21 66.062 66.382 -0.320 2
1 130 . 1 1 A 21 21 VAL CB C 21 32.006 31.652 0.354 2
1 133 . 1 1 A 21 21 VAL N N 21 120.507 119.186 1.321 2
1 134 . 1 1 A 22 22 LEU H H 22 7.638 7.925 -0.287 2
1 135 . 1 1 A 22 22 LEU HA H 22 3.557 3.623 -0.066 2
1 145 . 1 1 A 22 22 LEU C C 22 178.277 178.989 -0.712 2
1 146 . 1 1 A 22 22 LEU CA C 22 58.595 57.924 0.671 2
1 147 . 1 1 A 22 22 LEU CB C 22 38.402 40.472 -2.070 2
1 151 . 1 1 A 22 22 LEU N N 22 122.874 119.178 3.696 2
1 152 . 1 1 A 23 23 GLU H H 23 8.880 8.204 0.676 2
1 153 . 1 1 A 23 23 GLU HA H 23 4.162 4.126 0.036 2
1 157 . 1 1 A 23 23 GLU C C 23 180.123 178.922 1.201 2
1 158 . 1 1 A 23 23 GLU CA C 23 59.182 59.041 0.141 2
1 159 . 1 1 A 23 23 GLU CB C 23 29.111 29.785 -0.674 2
1 161 . 1 1 A 23 23 GLU N N 23 117.314 117.743 -0.428 2
1 162 . 1 1 A 24 24 ALA H H 24 7.614 7.931 -0.317 2
1 163 . 1 1 A 24 24 ALA HA H 24 4.273 4.099 0.173 2
1 167 . 1 1 A 24 24 ALA C C 24 180.560 179.655 0.905 2
1 168 . 1 1 A 24 24 ALA CA C 24 55.023 55.005 0.018 2
1 169 . 1 1 A 24 24 ALA CB C 24 17.775 18.630 -0.855 2
1 170 . 1 1 A 24 24 ALA N N 24 122.032 122.465 -0.433 2
1 171 . 1 1 A 25 25 LEU H H 25 7.673 7.932 -0.259 2
1 172 . 1 1 A 25 25 LEU HA H 25 4.507 4.178 0.329 2
1 182 . 1 1 A 25 25 LEU C C 25 177.694 178.621 -0.927 2
1 183 . 1 1 A 25 25 LEU CA C 25 57.913 57.492 0.421 2
1 184 . 1 1 A 25 25 LEU CB C 25 40.753 41.788 -1.035 2
1 188 . 1 1 A 25 25 LEU N N 25 120.067 119.811 0.256 2
1 189 . 1 1 A 26 26 PHE H H 26 8.839 8.405 0.434 2
1 190 . 1 1 A 26 26 PHE HA H 26 4.765 4.373 0.392 2
1 198 . 1 1 A 26 26 PHE C C 26 175.800 177.849 -2.049 2
1 199 . 1 1 A 26 26 PHE CA C 26 61.017 60.526 0.491 2
1 200 . 1 1 A 26 26 PHE CB C 26 39.167 39.390 -0.223 2
1 206 . 1 1 A 26 26 PHE N N 26 121.428 119.994 1.434 2
1 207 . 1 1 A 27 27 ALA H H 27 7.825 8.086 -0.261 2
1 208 . 1 1 A 27 27 ALA HA H 27 4.062 4.251 -0.189 2
1 212 . 1 1 A 27 27 ALA C C 27 179.273 179.097 0.176 2
1 213 . 1 1 A 27 27 ALA CA C 27 53.975 54.443 -0.468 2
1 214 . 1 1 A 27 27 ALA CB C 27 18.276 18.697 -0.421 2
1 215 . 1 1 A 27 27 ALA N N 27 116.175 121.371 -5.196 2
1 216 . 1 1 A 28 28 LYS H H 28 7.618 7.690 -0.072 2
1 217 . 1 1 A 28 28 LYS HA H 28 4.251 4.315 -0.064 2
1 225 . 1 1 A 28 28 LYS C C 28 177.354 176.216 1.138 2
1 226 . 1 1 A 28 28 LYS CA C 28 58.122 58.162 -0.040 2
1 227 . 1 1 A 28 28 LYS CB C 28 33.315 32.971 0.344 2
1 231 . 1 1 A 28 28 LYS N N 28 118.586 113.905 4.681 2
1 232 . 1 1 A 29 29 THR H H 29 8.820 7.808 1.012 2
1 233 . 1 1 A 29 29 THR HA H 29 4.410 4.632 -0.222 2
1 238 . 1 1 A 29 29 THR C C 29 170.360 174.178 -3.818 2
1 239 . 1 1 A 29 29 THR CA C 29 59.749 61.035 -1.285 2
1 240 . 1 1 A 29 29 THR CB C 29 68.972 70.952 -1.980 2
1 242 . 1 1 A 29 29 THR N N 29 116.094 112.999 3.095 2
1 243 . 1 1 A 30 30 ARG H H 30 8.203 8.543 -0.340 2
1 244 . 1 1 A 30 30 ARG HA H 30 3.957 3.860 0.097 2
1 251 . 1 1 A 30 30 ARG C C 30 175.120 175.727 -0.607 2
1 252 . 1 1 A 30 30 ARG CA C 30 56.750 58.412 -1.662 2
1 253 . 1 1 A 30 30 ARG CB C 30 30.444 30.106 0.338 2
1 256 . 1 1 A 30 30 ARG N N 30 122.783 127.166 -4.383 2
1 257 . 1 1 A 31 31 TYR H H 31 8.002 7.881 0.121 2
1 258 . 1 1 A 31 31 TYR HA H 31 4.686 5.006 -0.320 2
1 265 . 1 1 A 31 31 TYR C C 31 172.910 172.816 0.094 2
1 266 . 1 1 A 31 31 TYR CA C 31 55.303 54.810 0.493 2
1 267 . 1 1 A 31 31 TYR CB C 31 39.057 38.504 0.553 2
1 272 . 1 1 A 31 31 TYR N N 31 114.710 117.359 -2.650 2
1 273 . 1 1 A 32 32 PRO HA H 32 4.427 4.580 -0.153 2
1 280 . 1 1 A 32 32 PRO C C 32 177.257 176.113 1.144 2
1 281 . 1 1 A 32 32 PRO CA C 32 62.838 62.713 0.125 2
1 282 . 1 1 A 32 32 PRO CB C 32 32.082 32.340 -0.258 2
1 285 . 1 1 A 33 33 ASP H H 33 7.804 8.585 -0.781 2
1 286 . 1 1 A 33 33 ASP HA H 33 4.509 4.856 -0.347 2
1 289 . 1 1 A 33 33 ASP C C 33 176.286 177.251 -0.965 2
1 290 . 1 1 A 33 33 ASP CA C 33 52.894 53.144 -0.250 2
1 291 . 1 1 A 33 33 ASP CB C 33 41.475 42.391 -0.916 2
1 292 . 1 1 A 33 33 ASP N N 33 123.553 120.997 2.556 2
1 293 . 1 1 A 34 34 ILE H H 34 8.429 8.588 -0.159 2
1 294 . 1 1 A 34 34 ILE HA H 34 3.700 3.825 -0.125 2
1 304 . 1 1 A 34 34 ILE C C 34 175.412 177.632 -2.220 2
1 305 . 1 1 A 34 34 ILE CA C 34 63.602 64.196 -0.594 2
1 306 . 1 1 A 34 34 ILE CB C 34 37.846 37.582 0.264 2
1 310 . 1 1 A 34 34 ILE N N 34 117.269 124.814 -7.545 2
1 311 . 1 1 A 35 35 PHE H H 35 7.086 7.899 -0.813 2
1 312 . 1 1 A 35 35 PHE HA H 35 4.287 4.349 -0.062 2
1 320 . 1 1 A 35 35 PHE C C 35 179.589 178.293 1.296 2
1 321 . 1 1 A 35 35 PHE CA C 35 60.676 60.406 0.270 2
1 322 . 1 1 A 35 35 PHE CB C 35 37.731 38.631 -0.900 2
1 328 . 1 1 A 35 35 PHE N N 35 121.852 120.930 0.922 2
1 329 . 1 1 A 36 36 MET H H 36 8.559 8.328 0.231 2
1 330 . 1 1 A 36 36 MET HA H 36 4.216 4.066 0.149 2
1 338 . 1 1 A 36 36 MET C C 36 179.904 178.684 1.220 2
1 339 . 1 1 A 36 36 MET CA C 36 58.849 59.147 -0.298 2
1 340 . 1 1 A 36 36 MET CB C 36 33.757 32.674 1.083 2
1 343 . 1 1 A 36 36 MET N N 36 120.502 117.597 2.905 2
1 344 . 1 1 A 37 37 ARG H H 37 8.495 8.137 0.358 2
1 345 . 1 1 A 37 37 ARG HA H 37 3.839 4.000 -0.161 2
1 352 . 1 1 A 37 37 ARG C C 37 178.326 179.277 -0.951 2
1 353 . 1 1 A 37 37 ARG CA C 37 60.738 59.789 0.949 2
1 354 . 1 1 A 37 37 ARG CB C 37 31.601 29.993 1.608 2
1 357 . 1 1 A 37 37 ARG N N 37 117.379 118.912 -1.533 2
1 358 . 1 1 A 38 38 GLU H H 38 8.793 8.407 0.386 2
1 359 . 1 1 A 38 38 GLU HA H 38 4.028 4.094 -0.066 2
1 364 . 1 1 A 38 38 GLU C C 38 179.079 178.997 0.082 2
1 365 . 1 1 A 38 38 GLU CA C 38 59.682 59.141 0.541 2
1 366 . 1 1 A 38 38 GLU CB C 38 29.555 29.219 0.336 2
1 368 . 1 1 A 38 38 GLU N N 38 119.411 119.686 -0.275 2
1 369 . 1 1 A 39 39 GLU H H 39 7.909 8.056 -0.147 2
1 370 . 1 1 A 39 39 GLU HA H 39 4.090 4.099 -0.009 2
1 375 . 1 1 A 39 39 GLU C C 39 179.662 178.737 0.925 2
1 376 . 1 1 A 39 39 GLU CA C 39 59.776 59.308 0.468 2
1 377 . 1 1 A 39 39 GLU CB C 39 29.688 29.491 0.197 2
1 379 . 1 1 A 39 39 GLU N N 39 119.625 120.590 -0.965 2
1 380 . 1 1 A 40 40 VAL H H 40 7.732 8.004 -0.272 2
1 381 . 1 1 A 40 40 VAL HA H 40 3.836 3.596 0.240 2
1 389 . 1 1 A 40 40 VAL C C 40 176.674 178.116 -1.442 2
1 390 . 1 1 A 40 40 VAL CA C 40 65.856 66.760 -0.904 2
1 391 . 1 1 A 40 40 VAL CB C 40 31.416 31.528 -0.112 2
1 394 . 1 1 A 40 40 VAL N N 40 118.226 119.947 -1.721 2
1 395 . 1 1 A 41 41 ALA H H 41 8.405 8.342 0.063 2
1 396 . 1 1 A 41 41 ALA HA H 41 3.843 4.038 -0.195 2
1 400 . 1 1 A 41 41 ALA C C 41 179.856 179.094 0.762 2
1 401 . 1 1 A 41 41 ALA CA C 41 56.009 54.593 1.416 2
1 402 . 1 1 A 41 41 ALA CB C 41 17.646 18.558 -0.913 2
1 403 . 1 1 A 41 41 ALA N N 41 124.532 121.091 3.441 2
1 404 . 1 1 A 42 42 LEU H H 42 7.711 7.693 0.018 2
1 405 . 1 1 A 42 42 LEU HA H 42 4.199 4.204 -0.005 2
1 415 . 1 1 A 42 42 LEU C C 42 180.317 179.040 1.277 2
1 416 . 1 1 A 42 42 LEU CA C 42 57.484 56.258 1.226 2
1 417 . 1 1 A 42 42 LEU CB C 42 42.346 42.116 0.230 2
1 421 . 1 1 A 42 42 LEU N N 42 116.217 118.163 -1.946 2
1 422 . 1 1 A 43 43 LYS H H 43 7.615 8.299 -0.684 2
1 423 . 1 1 A 43 43 LYS HA H 43 4.133 4.078 0.055 2
1 432 . 1 1 A 43 43 LYS C C 43 178.933 179.230 -0.297 2
1 433 . 1 1 A 43 43 LYS CA C 43 59.269 59.184 0.085 2
1 434 . 1 1 A 43 43 LYS CB C 43 33.232 32.565 0.667 2
1 438 . 1 1 A 43 43 LYS N N 43 118.909 120.752 -1.843 2
1 439 . 1 1 A 44 44 ILE H H 44 8.057 8.073 -0.016 2
1 440 . 1 1 A 44 44 ILE HA H 44 4.638 4.071 0.567 2
1 450 . 1 1 A 44 44 ILE C C 44 174.853 176.158 -1.305 2
1 451 . 1 1 A 44 44 ILE CA C 44 60.676 61.736 -1.060 2
1 452 . 1 1 A 44 44 ILE CB C 44 38.258 37.663 0.595 2
1 456 . 1 1 A 44 44 ILE N N 44 108.541 114.698 -6.157 2
1 457 . 1 1 A 45 45 ASN H H 45 7.885 8.121 -0.236 2
1 458 . 1 1 A 45 45 ASN HA H 45 4.400 4.327 0.073 2
1 463 . 1 1 A 45 45 ASN C C 45 173.857 173.813 0.044 2
1 464 . 1 1 A 45 45 ASN CA C 45 54.104 54.241 -0.137 2
1 465 . 1 1 A 45 45 ASN CB C 45 37.082 36.978 0.104 2
1 466 . 1 1 A 45 45 ASN N N 45 119.396 119.047 0.349 2
1 468 . 1 1 A 46 46 LEU H H 46 8.195 7.771 0.424 2
1 469 . 1 1 A 46 46 LEU HA H 46 4.961 4.792 0.169 2
1 479 . 1 1 A 46 46 LEU CA C 46 52.101 51.439 0.662 2
1 480 . 1 1 A 46 46 LEU CB C 46 46.563 45.078 1.485 2
1 484 . 1 1 A 46 46 LEU N N 46 119.142 118.837 0.305 2
1 485 . 1 1 A 47 47 PRO HA H 47 4.547 4.680 -0.133 2
1 492 . 1 1 A 47 47 PRO C C 47 178.350 177.873 0.477 2
1 493 . 1 1 A 47 47 PRO CA C 47 62.434 62.864 -0.430 2
1 494 . 1 1 A 47 47 PRO CB C 47 32.295 31.736 0.559 2
1 497 . 1 1 A 48 48 GLU H H 48 9.242 9.012 0.230 2
1 498 . 1 1 A 48 48 GLU HA H 48 3.689 4.012 -0.323 2
1 503 . 1 1 A 48 48 GLU C C 48 178.326 178.331 -0.005 2
1 504 . 1 1 A 48 48 GLU CA C 48 61.058 59.677 1.381 2
1 505 . 1 1 A 48 48 GLU CB C 48 28.537 29.526 -0.989 2
1 507 . 1 1 A 48 48 GLU N N 48 125.487 125.005 0.482 2
1 508 . 1 1 A 49 49 SER H H 49 8.653 8.087 0.566 2
1 509 . 1 1 A 49 49 SER HA H 49 4.058 4.167 -0.109 2
1 512 . 1 1 A 49 49 SER C C 49 177.549 177.082 0.467 2
1 513 . 1 1 A 49 49 SER CA C 49 61.266 61.782 -0.516 2
1 514 . 1 1 A 49 49 SER CB C 49 61.658 62.898 -1.240 2
1 515 . 1 1 A 49 49 SER N N 49 113.467 116.828 -3.361 2
1 516 . 1 1 A 50 50 ARG H H 50 7.489 7.968 -0.479 2
1 517 . 1 1 A 50 50 ARG HA H 50 4.344 4.249 0.095 2
1 524 . 1 1 A 50 50 ARG C C 50 179.467 179.149 0.318 2
1 525 . 1 1 A 50 50 ARG CA C 50 57.575 59.324 -1.749 2
1 526 . 1 1 A 50 50 ARG CB C 50 29.523 30.042 -0.519 2
1 529 . 1 1 A 50 50 ARG N N 50 120.329 121.704 -1.375 2
1 530 . 1 1 A 51 51 VAL H H 51 7.598 7.748 -0.150 2
1 531 . 1 1 A 51 51 VAL HA H 51 3.733 3.726 0.007 2
1 539 . 1 1 A 51 51 VAL C C 51 177.767 178.111 -0.344 2
1 540 . 1 1 A 51 51 VAL CA C 51 67.082 66.791 0.291 2
1 541 . 1 1 A 51 51 VAL CB C 51 31.945 31.698 0.246 2
1 544 . 1 1 A 51 51 VAL N N 51 121.456 120.440 1.016 2
1 545 . 1 1 A 52 52 GLN H H 52 8.579 8.163 0.416 2
1 546 . 1 1 A 52 52 GLN HA H 52 4.338 4.032 0.306 2
1 553 . 1 1 A 52 52 GLN C C 52 178.836 178.477 0.359 2
1 554 . 1 1 A 52 52 GLN CA C 52 60.257 59.272 0.985 2
1 555 . 1 1 A 52 52 GLN CB C 52 28.377 28.374 0.003 2
1 557 . 1 1 A 52 52 GLN N N 52 119.679 119.710 -0.031 2
1 559 . 1 1 A 53 53 VAL H H 53 7.777 8.138 -0.361 2
1 560 . 1 1 A 53 53 VAL HA H 53 3.667 3.698 -0.031 2
1 568 . 1 1 A 53 53 VAL C C 53 177.379 178.184 -0.805 2
1 569 . 1 1 A 53 53 VAL CA C 53 67.004 66.645 0.359 2
1 570 . 1 1 A 53 53 VAL CB C 53 32.237 31.750 0.487 2
1 573 . 1 1 A 53 53 VAL N N 53 119.215 119.336 -0.121 2
1 574 . 1 1 A 54 54 TRP H H 54 8.177 8.568 -0.391 2
1 575 . 1 1 A 54 54 TRP HA H 54 4.074 4.156 -0.082 2
1 584 . 1 1 A 54 54 TRP C C 54 179.589 178.217 1.372 2
1 585 . 1 1 A 54 54 TRP CA C 54 63.273 60.872 2.401 2
1 586 . 1 1 A 54 54 TRP CB C 54 28.458 29.721 -1.263 2
1 592 . 1 1 A 54 54 TRP N N 54 120.980 121.221 -0.241 2
1 594 . 1 1 A 55 55 PHE H H 55 8.755 8.100 0.655 2
1 595 . 1 1 A 55 55 PHE HA H 55 3.626 4.230 -0.604 2
1 603 . 1 1 A 55 55 PHE C C 55 177.937 178.390 -0.453 2
1 604 . 1 1 A 55 55 PHE CA C 55 64.064 61.461 2.603 2
1 605 . 1 1 A 55 55 PHE CB C 55 39.579 38.950 0.629 2
1 611 . 1 1 A 55 55 PHE N N 55 118.177 117.646 0.531 2
1 612 . 1 1 A 56 56 LYS H H 56 8.169 8.195 -0.026 2
1 613 . 1 1 A 56 56 LYS HA H 56 3.914 4.003 -0.089 2
1 620 . 1 1 A 56 56 LYS C C 56 179.929 179.016 0.913 2
1 621 . 1 1 A 56 56 LYS CA C 56 60.488 59.394 1.094 2
1 622 . 1 1 A 56 56 LYS CB C 56 32.243 32.145 0.098 2
1 626 . 1 1 A 56 56 LYS N N 56 119.649 118.645 1.004 2
1 627 . 1 1 A 57 57 ASN H H 57 8.238 8.104 0.134 2
1 628 . 1 1 A 57 57 ASN HA H 57 4.345 4.420 -0.075 2
1 633 . 1 1 A 57 57 ASN C C 57 177.379 177.645 -0.266 2
1 634 . 1 1 A 57 57 ASN CA C 57 55.515 55.805 -0.290 2
1 635 . 1 1 A 57 57 ASN CB C 57 37.887 38.181 -0.294 2
1 636 . 1 1 A 57 57 ASN N N 57 118.635 118.158 0.477 2
1 638 . 1 1 A 58 58 ARG H H 58 8.347 7.567 0.780 2
1 639 . 1 1 A 58 58 ARG HA H 58 3.419 3.580 -0.161 2
1 646 . 1 1 A 58 58 ARG C C 58 179.637 178.338 1.299 2
1 647 . 1 1 A 58 58 ARG CA C 58 56.820 59.183 -2.363 2
1 648 . 1 1 A 58 58 ARG CB C 58 28.359 29.190 -0.831 2
1 651 . 1 1 A 58 58 ARG N N 58 123.884 119.659 4.225 2
1 652 . 1 1 A 59 59 ARG H H 59 8.184 7.918 0.266 2
1 653 . 1 1 A 59 59 ARG HA H 59 4.124 4.104 0.020 2
1 659 . 1 1 A 59 59 ARG C C 59 178.836 178.483 0.353 2
1 660 . 1 1 A 59 59 ARG CA C 59 60.478 59.419 1.059 2
1 661 . 1 1 A 59 59 ARG CB C 59 31.667 30.102 1.565 2
1 664 . 1 1 A 59 59 ARG N N 59 117.828 118.958 -1.130 2
1 665 . 1 1 A 60 60 ALA H H 60 7.407 7.929 -0.522 2
1 666 . 1 1 A 60 60 ALA HA H 60 4.183 4.071 0.112 2
1 670 . 1 1 A 60 60 ALA C C 60 179.370 179.329 0.041 2
1 671 . 1 1 A 60 60 ALA CA C 60 54.509 55.126 -0.617 2
1 672 . 1 1 A 60 60 ALA CB C 60 18.207 18.410 -0.203 2
1 673 . 1 1 A 60 60 ALA N N 60 121.238 121.359 -0.121 2
1 674 . 1 1 A 61 61 LYS H H 61 7.564 8.053 -0.490 2
1 675 . 1 1 A 61 61 LYS HA H 61 4.143 3.899 0.244 2
1 684 . 1 1 A 61 61 LYS C C 61 177.767 178.494 -0.727 2
1 685 . 1 1 A 61 61 LYS CA C 61 57.671 59.503 -1.832 2
1 686 . 1 1 A 61 61 LYS CB C 61 32.490 32.214 0.276 2
1 690 . 1 1 A 61 61 LYS N N 61 118.322 117.821 0.501 2
1 691 . 1 1 A 62 62 CYS H H 62 7.725 8.045 -0.320 2
1 692 . 1 1 A 62 62 CYS HA H 62 4.401 4.018 0.383 2
1 695 . 1 1 A 62 62 CYS C C 62 175.752 176.986 -1.233 2
1 696 . 1 1 A 62 62 CYS CA C 62 60.540 62.759 -2.219 2
1 697 . 1 1 A 62 62 CYS CB C 62 27.654 26.930 0.724 2
1 698 . 1 1 A 62 62 CYS N N 62 117.981 118.379 -0.398 2
1 699 . 1 1 A 63 63 ARG H H 63 8.044 7.946 0.098 2
1 700 . 1 1 A 63 63 ARG HA H 63 4.273 4.010 0.263 2
1 705 . 1 1 A 63 63 ARG C C 63 177.233 178.554 -1.321 2
1 706 . 1 1 A 63 63 ARG CA C 63 57.631 59.527 -1.896 2
1 707 . 1 1 A 63 63 ARG CB C 63 30.347 29.945 0.402 2
1 710 . 1 1 A 63 63 ARG N N 63 121.313 120.519 0.794 2
1 711 . 1 1 A 64 64 GLN H H 64 8.217 7.946 0.271 2
1 712 . 1 1 A 64 64 GLN HA H 64 4.262 4.011 0.251 2
1 718 . 1 1 A 64 64 GLN C C 64 176.942 176.491 0.451 2
1 719 . 1 1 A 64 64 GLN CA C 64 57.172 58.962 -1.790 2
1 720 . 1 1 A 64 64 GLN CB C 64 29.129 28.495 0.634 2
1 722 . 1 1 A 64 64 GLN N N 64 120.369 119.047 1.322 2
1 724 . 1 1 A 71 71 ASN CB C 71 37.967 40.082 -2.115 2
1 726 . 1 1 A 72 72 GLY HA2 H 72 3.984 4.048 -0.064 2
1 727 . 1 1 A 72 72 GLY HA3 H 72 3.984 4.048 -0.064 2
1 728 . 1 1 A 72 72 GLY C C 72 174.877 173.571 1.306 2
1 729 . 1 1 A 72 72 GLY CA C 72 45.604 45.635 -0.031 2
1 730 . 1 1 A 73 73 GLY H H 73 8.288 8.268 0.020 2
1 731 . 1 1 A 73 73 GLY HA2 H 73 3.986 4.207 -0.221 2
1 732 . 1 1 A 73 73 GLY HA3 H 73 3.986 4.208 -0.222 2
1 733 . 1 1 A 73 73 GLY C C 73 174.319 172.430 1.889 2
1 734 . 1 1 A 73 73 GLY CA C 73 45.322 45.469 -0.147 2
1 735 . 1 1 A 73 73 GLY N N 73 108.597 108.791 -0.194 2
1 736 . 1 1 A 74 74 GLN H H 74 8.281 8.504 -0.223 2
1 737 . 1 1 A 74 74 GLN HA H 74 4.413 4.864 -0.451 2
1 743 . 1 1 A 74 74 GLN C C 74 176.262 174.647 1.615 2
1 744 . 1 1 A 74 74 GLN CA C 74 55.973 55.000 0.973 2
1 745 . 1 1 A 74 74 GLN CB C 74 29.605 31.303 -1.698 2
1 747 . 1 1 A 74 74 GLN N N 74 119.866 120.754 -0.888 2
1 749 . 1 1 A 75 75 SER H H 75 8.432 8.617 -0.185 2
1 750 . 1 1 A 75 75 SER HA H 75 4.524 4.970 -0.446 2
1 753 . 1 1 A 75 75 SER C C 75 174.586 173.768 0.818 2
1 754 . 1 1 A 75 75 SER CA C 75 58.513 57.516 0.997 2
1 755 . 1 1 A 75 75 SER CB C 75 64.061 65.325 -1.264 2
1 756 . 1 1 A 75 75 SER N N 75 117.073 117.326 -0.253 2
1 757 . 1 1 A 76 76 GLY H H 76 8.244 8.371 -0.128 2
1 758 . 1 1 A 76 76 GLY HA2 H 76 4.171 4.222 -0.051 2
1 759 . 1 1 A 76 76 GLY HA3 H 76 4.102 4.222 -0.120 2
1 760 . 1 1 A 76 76 GLY C C 76 171.842 172.877 -1.035 2
1 761 . 1 1 A 76 76 GLY CA C 76 44.617 45.271 -0.654 2
1 762 . 1 1 A 76 76 GLY N N 76 110.727 109.778 0.949 2
1 763 . 1 1 A 77 77 PRO HA H 77 4.494 4.581 -0.087 2
1 770 . 1 1 A 77 77 PRO C C 77 177.476 176.009 1.467 2
1 771 . 1 1 A 77 77 PRO CA C 77 63.380 63.100 0.280 2
1 772 . 1 1 A 77 77 PRO CB C 77 32.231 32.482 -0.251 2
1 775 . 1 1 A 78 78 SER H H 78 8.526 8.289 0.237 2
1 776 . 1 1 A 78 78 SER HA H 78 4.514 4.773 -0.259 2
1 779 . 1 1 A 78 78 SER C C 78 174.756 173.930 0.826 2
1 780 . 1 1 A 78 78 SER CA C 78 58.513 57.862 0.651 2
1 781 . 1 1 A 78 78 SER CB C 78 63.896 65.190 -1.294 2
1 782 . 1 1 A 78 78 SER N N 78 116.438 116.161 0.277 2
1 783 . 1 1 A 79 79 SER H H 79 8.329 8.620 -0.291 2
1 784 . 1 1 A 79 79 SER HA H 79 4.502 4.699 -0.197 2
1 787 . 1 1 A 79 79 SER C C 79 173.954 174.525 -0.571 2
1 788 . 1 1 A 79 79 SER CA C 79 58.477 58.433 0.044 2
1 789 . 1 1 A 79 79 SER CB C 79 64.019 64.655 -0.636 2
1 790 . 1 1 A 79 79 SER N N 79 117.859 118.463 -0.604 2
stop_
save_