data_10298_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10298
_Entry.PDB_ID 2YS9
_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 6 6 SER HA H 6 4.533 4.810 -0.277 1
1 4 . 1 1 1 A 6 6 SER C C 6 174.513 174.451 0.062 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.407 56.710 1.697 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.873 66.417 -2.544 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.204 8.703 -0.499 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 4.085 3.876 0.209 1
1 9 . 1 1 1 A 7 7 GLY C C 7 171.507 174.339 -2.832 1
1 10 . 1 1 1 A 7 7 GLY CA C 7 44.598 47.073 -2.475 1
1 11 . 1 1 1 A 7 7 GLY N N 7 110.772 114.442 -3.670 1
1 12 . 1 1 1 A 8 8 PRO HA H 8 4.421 4.556 -0.135 1
1 17 . 1 1 1 A 8 8 PRO C C 8 176.943 177.080 -0.137 1
1 18 . 1 1 1 A 8 8 PRO CA C 8 62.917 62.852 0.065 1
1 19 . 1 1 1 A 8 8 PRO CB C 8 32.101 31.659 0.442 1
1 22 . 1 1 1 A 9 9 LEU H H 9 8.334 8.330 0.004 1
1 23 . 1 1 1 A 9 9 LEU HA H 9 4.584 4.547 0.037 1
1 33 . 1 1 1 A 9 9 LEU C C 9 175.412 174.796 0.616 1
1 34 . 1 1 1 A 9 9 LEU CA C 9 53.030 53.386 -0.356 1
1 35 . 1 1 1 A 9 9 LEU CB C 9 41.804 41.451 0.353 1
1 39 . 1 1 1 A 9 9 LEU N N 9 123.997 124.554 -0.557 1
1 40 . 1 1 1 A 10 10 PRO HA H 10 4.425 4.597 -0.172 1
1 46 . 1 1 1 A 10 10 PRO C C 10 176.530 176.828 -0.298 1
1 47 . 1 1 1 A 10 10 PRO CA C 10 62.801 62.252 0.549 1
1 48 . 1 1 1 A 10 10 PRO CB C 10 31.871 32.451 -0.580 1
1 51 . 1 1 1 A 11 11 ILE H H 11 8.216 8.295 -0.079 1
1 52 . 1 1 1 A 11 11 ILE HA H 11 4.429 4.239 0.190 1
1 62 . 1 1 1 A 11 11 ILE C C 11 174.437 175.381 -0.944 1
1 63 . 1 1 1 A 11 11 ILE CA C 11 58.548 60.139 -1.591 1
1 64 . 1 1 1 A 11 11 ILE CB C 11 38.746 37.977 0.769 1
1 68 . 1 1 1 A 11 11 ILE N N 11 123.082 119.585 3.497 1
1 72 . 1 1 1 A 16 16 PRO HA H 16 4.575 4.531 0.044 1
1 78 . 1 1 1 A 16 16 PRO C C 16 175.885 175.310 0.575 1
1 79 . 1 1 1 A 16 16 PRO CA C 16 63.146 62.489 0.657 1
1 80 . 1 1 1 A 16 16 PRO CB C 16 32.894 32.491 0.403 1
1 83 . 1 1 1 A 17 17 ASP H H 17 8.822 8.296 0.526 1
1 84 . 1 1 1 A 17 17 ASP HA H 17 4.832 4.851 -0.019 1
1 87 . 1 1 1 A 17 17 ASP C C 17 174.878 176.046 -1.168 1
1 88 . 1 1 1 A 17 17 ASP CA C 17 52.473 52.823 -0.350 1
1 89 . 1 1 1 A 17 17 ASP CB C 17 42.755 41.495 1.260 1
1 90 . 1 1 1 A 17 17 ASP N N 17 121.885 119.660 2.225 1
1 91 . 1 1 1 A 18 18 ILE H H 18 8.259 8.614 -0.355 1
1 92 . 1 1 1 A 18 18 ILE HA H 18 3.889 3.947 -0.058 1
1 102 . 1 1 1 A 18 18 ILE C C 18 178.346 176.991 1.355 1
1 103 . 1 1 1 A 18 18 ILE CA C 18 59.806 61.365 -1.559 1
1 104 . 1 1 1 A 18 18 ILE CB C 18 38.247 38.306 -0.059 1
1 108 . 1 1 1 A 18 18 ILE N N 18 118.184 126.098 -7.914 1
1 109 . 1 1 1 A 19 19 GLN H H 19 8.404 8.017 0.387 1
1 110 . 1 1 1 A 19 19 GLN HA H 19 4.199 4.128 0.071 1
1 117 . 1 1 1 A 19 19 GLN C C 19 175.287 174.250 1.037 1
1 118 . 1 1 1 A 19 19 GLN CA C 19 60.889 60.817 0.072 1
1 119 . 1 1 1 A 19 19 GLN CB C 19 26.552 26.780 -0.228 1
1 121 . 1 1 1 A 19 19 GLN N N 19 123.230 122.255 0.975 1
1 123 . 1 1 1 A 20 20 PRO HA H 20 4.217 4.249 -0.032 1
1 130 . 1 1 1 A 20 20 PRO C C 20 179.677 179.648 0.029 1
1 131 . 1 1 1 A 20 20 PRO CA C 20 65.855 66.431 -0.576 1
1 132 . 1 1 1 A 20 20 PRO CB C 20 31.439 30.592 0.847 1
1 135 . 1 1 1 A 21 21 LEU H H 21 7.026 7.464 -0.438 1
1 136 . 1 1 1 A 21 21 LEU HA H 21 3.885 4.054 -0.169 1
1 146 . 1 1 1 A 21 21 LEU C C 21 177.599 178.508 -0.909 1
1 147 . 1 1 1 A 21 21 LEU CA C 21 58.435 57.243 1.192 1
1 148 . 1 1 1 A 21 21 LEU CB C 21 37.236 40.906 -3.670 1
1 152 . 1 1 1 A 21 21 LEU N N 21 116.369 116.941 -0.572 1
1 153 . 1 1 1 A 22 22 GLU H H 22 7.611 8.432 -0.821 1
1 154 . 1 1 1 A 22 22 GLU HA H 22 4.309 4.161 0.148 1
1 159 . 1 1 1 A 22 22 GLU C C 22 180.755 179.374 1.381 1
1 160 . 1 1 1 A 22 22 GLU CA C 22 59.887 59.978 -0.091 1
1 161 . 1 1 1 A 22 22 GLU CB C 22 29.715 29.387 0.328 1
1 163 . 1 1 1 A 22 22 GLU N N 22 119.345 119.445 -0.100 1
1 164 . 1 1 1 A 23 23 ARG H H 23 8.662 8.261 0.401 1
1 165 . 1 1 1 A 23 23 ARG HA H 23 4.143 4.115 0.028 1
1 172 . 1 1 1 A 23 23 ARG C C 23 179.115 178.793 0.322 1
1 173 . 1 1 1 A 23 23 ARG CA C 23 59.453 59.458 -0.005 1
1 174 . 1 1 1 A 23 23 ARG CB C 23 30.628 30.447 0.181 1
1 177 . 1 1 1 A 23 23 ARG N N 23 119.060 119.347 -0.287 1
1 178 . 1 1 1 A 24 24 TYR H H 24 7.798 7.956 -0.158 1
1 179 . 1 1 1 A 24 24 TYR HA H 24 4.349 4.497 -0.148 1
1 186 . 1 1 1 A 24 24 TYR C C 24 178.627 177.617 1.010 1
1 187 . 1 1 1 A 24 24 TYR CA C 24 61.883 61.611 0.272 1
1 188 . 1 1 1 A 24 24 TYR CB C 24 39.326 38.618 0.708 1
1 193 . 1 1 1 A 24 24 TYR N N 24 122.046 120.679 1.367 1
1 194 . 1 1 1 A 25 25 TRP H H 25 9.612 8.675 0.937 1
1 195 . 1 1 1 A 25 25 TRP HA H 25 4.680 4.476 0.204 1
1 204 . 1 1 1 A 25 25 TRP C C 25 178.218 178.512 -0.294 1
1 205 . 1 1 1 A 25 25 TRP CA C 25 60.775 61.459 -0.684 1
1 206 . 1 1 1 A 25 25 TRP CB C 25 29.956 29.989 -0.033 1
1 212 . 1 1 1 A 25 25 TRP N N 25 121.351 121.733 -0.382 1
1 214 . 1 1 1 A 26 26 ALA H H 26 8.336 8.176 0.160 1
1 215 . 1 1 1 A 26 26 ALA HA H 26 3.911 3.870 0.041 1
1 219 . 1 1 1 A 26 26 ALA C C 26 178.850 179.362 -0.512 1
1 220 . 1 1 1 A 26 26 ALA CA C 26 54.720 54.647 0.073 1
1 221 . 1 1 1 A 26 26 ALA CB C 26 18.147 18.237 -0.090 1
1 222 . 1 1 1 A 26 26 ALA N N 26 118.991 120.971 -1.980 1
1 223 . 1 1 1 A 27 27 ALA H H 27 7.261 8.285 -1.024 1
1 224 . 1 1 1 A 27 27 ALA HA H 27 4.071 3.992 0.079 1
1 228 . 1 1 1 A 27 27 ALA C C 27 178.433 179.170 -0.737 1
1 229 . 1 1 1 A 27 27 ALA CA C 27 53.440 54.799 -1.359 1
1 230 . 1 1 1 A 27 27 ALA CB C 27 18.789 18.706 0.083 1
1 231 . 1 1 1 A 27 27 ALA N N 27 116.928 119.748 -2.820 1
1 232 . 1 1 1 A 28 28 HIS H H 28 7.810 7.881 -0.071 1
1 233 . 1 1 1 A 28 28 HIS HA H 28 4.574 4.518 0.056 1
1 238 . 1 1 1 A 28 28 HIS C C 28 175.351 174.730 0.621 1
1 239 . 1 1 1 A 28 28 HIS CA C 28 56.709 56.330 0.379 1
1 240 . 1 1 1 A 28 28 HIS CB C 28 31.928 31.331 0.597 1
1 243 . 1 1 1 A 28 28 HIS N N 28 113.337 111.206 2.131 1
1 244 . 1 1 1 A 29 29 GLN H H 29 8.811 7.981 0.830 1
1 245 . 1 1 1 A 29 29 GLN HA H 29 2.344 3.498 -1.154 1
1 251 . 1 1 1 A 29 29 GLN C C 29 173.677 174.213 -0.536 1
1 252 . 1 1 1 A 29 29 GLN CA C 29 57.111 56.581 0.530 1
1 253 . 1 1 1 A 29 29 GLN CB C 29 26.795 27.183 -0.388 1
1 255 . 1 1 1 A 29 29 GLN N N 29 115.607 118.372 -2.765 1
1 257 . 1 1 1 A 30 30 GLN H H 30 7.465 7.609 -0.144 1
1 258 . 1 1 1 A 30 30 GLN HA H 30 4.607 4.915 -0.308 1
1 265 . 1 1 1 A 30 30 GLN C C 30 173.052 174.362 -1.310 1
1 266 . 1 1 1 A 30 30 GLN CA C 30 54.807 54.912 -0.105 1
1 267 . 1 1 1 A 30 30 GLN CB C 30 30.766 31.656 -0.890 1
1 269 . 1 1 1 A 30 30 GLN N N 30 112.695 117.719 -5.024 1
1 271 . 1 1 1 A 31 31 LEU H H 31 8.805 8.719 0.086 1
1 272 . 1 1 1 A 31 31 LEU HA H 31 4.440 4.826 -0.386 1
1 282 . 1 1 1 A 31 31 LEU C C 31 176.017 174.955 1.062 1
1 283 . 1 1 1 A 31 31 LEU CA C 31 54.608 54.349 0.259 1
1 284 . 1 1 1 A 31 31 LEU CB C 31 42.819 43.639 -0.820 1
1 288 . 1 1 1 A 31 31 LEU N N 31 121.685 127.625 -5.940 1
1 289 . 1 1 1 A 32 32 ARG H H 32 7.422 8.724 -1.302 1
1 290 . 1 1 1 A 32 32 ARG HA H 32 4.574 4.751 -0.177 1
1 297 . 1 1 1 A 32 32 ARG C C 32 177.277 176.680 0.597 1
1 298 . 1 1 1 A 32 32 ARG CA C 32 55.071 53.941 1.130 1
1 299 . 1 1 1 A 32 32 ARG CB C 32 29.854 32.892 -3.038 1
1 302 . 1 1 1 A 32 32 ARG N N 32 126.338 125.826 0.512 1
1 303 . 1 1 1 A 33 33 GLU H H 33 9.164 9.097 0.067 1
1 304 . 1 1 1 A 33 33 GLU HA H 33 3.766 4.034 -0.268 1
1 309 . 1 1 1 A 33 33 GLU C C 33 178.939 178.254 0.685 1
1 310 . 1 1 1 A 33 33 GLU CA C 33 60.097 59.254 0.843 1
1 311 . 1 1 1 A 33 33 GLU CB C 33 29.340 29.280 0.060 1
1 313 . 1 1 1 A 33 33 GLU N N 33 126.822 123.105 3.717 1
1 314 . 1 1 1 A 34 34 THR H H 34 7.785 8.000 -0.215 1
1 315 . 1 1 1 A 34 34 THR HA H 34 4.055 4.073 -0.018 1
1 320 . 1 1 1 A 34 34 THR C C 34 175.387 175.803 -0.416 1
1 321 . 1 1 1 A 34 34 THR CA C 34 63.631 64.981 -1.350 1
1 322 . 1 1 1 A 34 34 THR CB C 34 68.560 68.531 0.029 1
1 324 . 1 1 1 A 34 34 THR N N 34 108.953 113.538 -4.585 1
1 325 . 1 1 1 A 35 35 ASP H H 35 7.841 7.973 -0.132 1
1 326 . 1 1 1 A 35 35 ASP HA H 35 4.928 4.448 0.480 1
1 329 . 1 1 1 A 35 35 ASP C C 35 175.827 178.000 -2.173 1
1 330 . 1 1 1 A 35 35 ASP CA C 35 55.169 55.222 -0.053 1
1 331 . 1 1 1 A 35 35 ASP CB C 35 41.057 41.111 -0.054 1
1 332 . 1 1 1 A 35 35 ASP N N 35 119.019 121.950 -2.931 1
1 333 . 1 1 1 A 36 36 ILE H H 36 7.388 7.761 -0.373 1
1 334 . 1 1 1 A 36 36 ILE HA H 36 3.495 3.647 -0.152 1
1 344 . 1 1 1 A 36 36 ILE C C 36 174.161 175.224 -1.063 1
1 345 . 1 1 1 A 36 36 ILE CA C 36 67.912 66.188 1.724 1
1 346 . 1 1 1 A 36 36 ILE CB C 36 35.457 35.153 0.304 1
1 350 . 1 1 1 A 36 36 ILE N N 36 119.567 121.249 -1.682 1
1 351 . 1 1 1 A 37 37 PRO HA H 37 4.232 4.269 -0.037 1
1 358 . 1 1 1 A 37 37 PRO C C 37 179.572 178.790 0.782 1
1 359 . 1 1 1 A 37 37 PRO CA C 37 66.890 65.646 1.244 1
1 360 . 1 1 1 A 37 37 PRO CB C 37 30.704 30.466 0.238 1
1 363 . 1 1 1 A 38 38 GLN H H 38 7.837 8.047 -0.210 1
1 364 . 1 1 1 A 38 38 GLN HA H 38 4.143 4.097 0.046 1
1 371 . 1 1 1 A 38 38 GLN C C 38 178.918 178.373 0.545 1
1 372 . 1 1 1 A 38 38 GLN CA C 38 59.171 58.879 0.292 1
1 373 . 1 1 1 A 38 38 GLN CB C 38 27.986 28.201 -0.215 1
1 375 . 1 1 1 A 38 38 GLN N N 38 117.627 117.457 0.170 1
1 377 . 1 1 1 A 39 39 LEU H H 39 7.991 8.128 -0.137 1
1 378 . 1 1 1 A 39 39 LEU HA H 39 3.995 4.004 -0.009 1
1 388 . 1 1 1 A 39 39 LEU C C 39 180.831 178.583 2.248 1
1 389 . 1 1 1 A 39 39 LEU CA C 39 57.722 57.559 0.163 1
1 390 . 1 1 1 A 39 39 LEU CB C 39 42.314 41.660 0.654 1
1 394 . 1 1 1 A 39 39 LEU N N 39 121.128 119.876 1.252 1
1 395 . 1 1 1 A 40 40 SER H H 40 8.980 8.154 0.826 1
1 396 . 1 1 1 A 40 40 SER HA H 40 4.086 3.983 0.103 1
1 399 . 1 1 1 A 40 40 SER C C 40 176.517 177.158 -0.641 1
1 400 . 1 1 1 A 40 40 SER CA C 40 60.859 61.498 -0.639 1
1 401 . 1 1 1 A 40 40 SER CB C 40 63.255 62.883 0.372 1
1 402 . 1 1 1 A 40 40 SER N N 40 117.510 113.548 3.962 1
1 403 . 1 1 1 A 41 41 GLN H H 41 8.074 7.575 0.499 1
1 404 . 1 1 1 A 41 41 GLN HA H 41 4.014 4.036 -0.022 1
1 411 . 1 1 1 A 41 41 GLN C C 41 178.637 178.286 0.351 1
1 412 . 1 1 1 A 41 41 GLN CA C 41 58.955 58.557 0.398 1
1 413 . 1 1 1 A 41 41 GLN CB C 41 28.421 28.282 0.139 1
1 415 . 1 1 1 A 41 41 GLN N N 41 120.218 121.408 -1.190 1
1 417 . 1 1 1 A 42 42 ALA H H 42 8.149 8.016 0.133 1
1 418 . 1 1 1 A 42 42 ALA HA H 42 4.162 4.061 0.101 1
1 422 . 1 1 1 A 42 42 ALA C C 42 178.442 180.235 -1.793 1
1 423 . 1 1 1 A 42 42 ALA CA C 42 54.567 54.973 -0.406 1
1 424 . 1 1 1 A 42 42 ALA CB C 42 19.202 18.567 0.635 1
1 425 . 1 1 1 A 42 42 ALA N N 42 118.903 122.626 -3.723 1
1 426 . 1 1 1 A 43 43 SER H H 43 7.784 7.898 -0.114 1
1 427 . 1 1 1 A 43 43 SER HA H 43 4.851 4.829 0.022 1
1 430 . 1 1 1 A 43 43 SER C C 43 175.304 173.195 2.109 1
1 431 . 1 1 1 A 43 43 SER CA C 43 59.180 58.107 1.073 1
1 432 . 1 1 1 A 43 43 SER CB C 43 66.897 63.170 3.727 1
1 433 . 1 1 1 A 43 43 SER N N 43 109.522 113.497 -3.975 1
1 434 . 1 1 1 A 44 44 ARG H H 44 7.799 7.839 -0.040 1
1 435 . 1 1 1 A 44 44 ARG HA H 44 3.872 3.836 0.036 1
1 441 . 1 1 1 A 44 44 ARG C C 44 175.312 174.625 0.687 1
1 442 . 1 1 1 A 44 44 ARG CA C 44 58.582 56.974 1.608 1
1 443 . 1 1 1 A 44 44 ARG CB C 44 26.661 27.002 -0.341 1
1 446 . 1 1 1 A 44 44 ARG N N 44 114.335 117.544 -3.209 1
1 447 . 1 1 1 A 45 45 LEU H H 45 7.759 7.658 0.101 1
1 448 . 1 1 1 A 45 45 LEU HA H 45 4.571 4.902 -0.331 1
1 458 . 1 1 1 A 45 45 LEU C C 45 177.069 175.365 1.704 1
1 459 . 1 1 1 A 45 45 LEU CA C 45 53.471 53.104 0.367 1
1 460 . 1 1 1 A 45 45 LEU CB C 45 43.845 44.944 -1.099 1
1 464 . 1 1 1 A 45 45 LEU N N 45 120.316 118.637 1.679 1
1 465 . 1 1 1 A 46 46 SER H H 46 9.062 8.885 0.177 1
1 466 . 1 1 1 A 46 46 SER HA H 46 4.446 4.555 -0.109 1
1 469 . 1 1 1 A 46 46 SER C C 46 174.731 175.774 -1.043 1
1 470 . 1 1 1 A 46 46 SER CA C 46 57.302 58.628 -1.326 1
1 471 . 1 1 1 A 46 46 SER CB C 46 65.202 63.934 1.268 1
1 472 . 1 1 1 A 46 46 SER N N 46 117.855 116.719 1.136 1
1 473 . 1 1 1 A 47 47 THR H H 47 8.770 8.784 -0.014 1
1 474 . 1 1 1 A 47 47 THR HA H 47 3.578 3.867 -0.289 1
1 479 . 1 1 1 A 47 47 THR C C 47 176.003 176.252 -0.249 1
1 480 . 1 1 1 A 47 47 THR CA C 47 67.477 65.803 1.674 1
1 481 . 1 1 1 A 47 47 THR CB C 47 68.317 68.755 -0.438 1
1 483 . 1 1 1 A 47 47 THR N N 47 115.428 118.329 -2.901 1
1 484 . 1 1 1 A 48 48 GLN H H 48 8.292 7.856 0.436 1
1 485 . 1 1 1 A 48 48 GLN HA H 48 3.890 3.964 -0.074 1
1 492 . 1 1 1 A 48 48 GLN C C 48 177.625 178.153 -0.528 1
1 493 . 1 1 1 A 48 48 GLN CA C 48 58.482 58.987 -0.505 1
1 494 . 1 1 1 A 48 48 GLN CB C 48 28.614 28.505 0.109 1
1 496 . 1 1 1 A 48 48 GLN N N 48 119.078 119.920 -0.842 1
1 498 . 1 1 1 A 49 49 GLN H H 49 7.765 8.482 -0.717 1
1 499 . 1 1 1 A 49 49 GLN HA H 49 4.153 3.973 0.180 1
1 506 . 1 1 1 A 49 49 GLN C C 49 180.153 178.801 1.352 1
1 507 . 1 1 1 A 49 49 GLN CA C 49 58.927 59.370 -0.443 1
1 508 . 1 1 1 A 49 49 GLN CB C 49 30.030 28.182 1.848 1
1 510 . 1 1 1 A 49 49 GLN N N 49 117.667 118.634 -0.967 1
1 512 . 1 1 1 A 50 50 VAL H H 50 8.465 7.713 0.752 1
1 513 . 1 1 1 A 50 50 VAL HA H 50 3.620 3.779 -0.159 1
1 521 . 1 1 1 A 50 50 VAL C C 50 177.691 178.208 -0.517 1
1 522 . 1 1 1 A 50 50 VAL CA C 50 67.588 66.506 1.082 1
1 523 . 1 1 1 A 50 50 VAL CB C 50 31.470 31.396 0.074 1
1 526 . 1 1 1 A 50 50 VAL N N 50 122.227 120.002 2.225 1
1 527 . 1 1 1 A 51 51 LEU H H 51 8.119 7.836 0.283 1
1 528 . 1 1 1 A 51 51 LEU HA H 51 3.975 3.952 0.023 1
1 538 . 1 1 1 A 51 51 LEU C C 51 179.950 179.144 0.806 1
1 539 . 1 1 1 A 51 51 LEU CA C 51 59.206 58.177 1.029 1
1 540 . 1 1 1 A 51 51 LEU CB C 51 41.515 41.130 0.385 1
1 544 . 1 1 1 A 51 51 LEU N N 51 120.724 119.770 0.954 1
1 545 . 1 1 1 A 52 52 ASP H H 52 8.780 8.189 0.591 1
1 546 . 1 1 1 A 52 52 ASP HA H 52 4.344 4.374 -0.030 1
1 549 . 1 1 1 A 52 52 ASP C C 52 178.654 178.499 0.155 1
1 550 . 1 1 1 A 52 52 ASP CA C 52 57.310 57.117 0.193 1
1 551 . 1 1 1 A 52 52 ASP CB C 52 40.418 40.482 -0.064 1
1 552 . 1 1 1 A 52 52 ASP N N 52 118.559 119.007 -0.448 1
1 553 . 1 1 1 A 53 53 TRP H H 53 8.180 8.250 -0.070 1
1 554 . 1 1 1 A 53 53 TRP HA H 53 3.905 4.309 -0.404 1
1 563 . 1 1 1 A 53 53 TRP C C 53 180.216 178.244 1.972 1
1 564 . 1 1 1 A 53 53 TRP CA C 53 62.801 61.053 1.748 1
1 565 . 1 1 1 A 53 53 TRP CB C 53 29.117 30.608 -1.491 1
1 571 . 1 1 1 A 53 53 TRP N N 53 123.121 121.679 1.442 1
1 573 . 1 1 1 A 54 54 PHE H H 54 8.371 8.347 0.024 1
1 574 . 1 1 1 A 54 54 PHE HA H 54 3.786 3.896 -0.110 1
1 582 . 1 1 1 A 54 54 PHE C C 54 178.605 177.598 1.007 1
1 583 . 1 1 1 A 54 54 PHE CA C 54 63.242 61.749 1.493 1
1 584 . 1 1 1 A 54 54 PHE CB C 54 39.446 38.761 0.685 1
1 590 . 1 1 1 A 54 54 PHE N N 54 117.319 117.566 -0.247 1
1 591 . 1 1 1 A 55 55 ASP H H 55 8.609 8.146 0.463 1
1 592 . 1 1 1 A 55 55 ASP HA H 55 4.499 4.333 0.166 1
1 595 . 1 1 1 A 55 55 ASP C C 55 177.993 178.394 -0.401 1
1 596 . 1 1 1 A 55 55 ASP CA C 55 57.370 57.332 0.038 1
1 597 . 1 1 1 A 55 55 ASP CB C 55 41.096 41.762 -0.666 1
1 598 . 1 1 1 A 55 55 ASP N N 55 120.805 119.657 1.148 1
1 599 . 1 1 1 A 56 56 SER H H 56 7.450 8.045 -0.595 1
1 600 . 1 1 1 A 56 56 SER HA H 56 4.236 4.084 0.152 1
1 603 . 1 1 1 A 56 56 SER C C 56 174.228 177.137 -2.909 1
1 604 . 1 1 1 A 56 56 SER CA C 56 59.538 61.129 -1.591 1
1 605 . 1 1 1 A 56 56 SER CB C 56 63.340 63.067 0.273 1
1 606 . 1 1 1 A 56 56 SER N N 56 111.640 113.843 -2.203 1
1 607 . 1 1 1 A 57 57 ARG H H 57 7.061 7.409 -0.348 1
1 608 . 1 1 1 A 57 57 ARG HA H 57 3.803 3.889 -0.086 1
1 615 . 1 1 1 A 57 57 ARG C C 57 175.909 177.283 -1.374 1
1 616 . 1 1 1 A 57 57 ARG CA C 57 55.254 58.498 -3.244 1
1 617 . 1 1 1 A 57 57 ARG CB C 57 30.216 29.366 0.850 1
1 620 . 1 1 1 A 57 57 ARG N N 57 120.670 119.711 0.959 1
1 621 . 1 1 1 A 58 58 LEU H H 58 7.519 7.718 -0.199 1
1 622 . 1 1 1 A 58 58 LEU HA H 58 4.611 4.600 0.011 1
1 632 . 1 1 1 A 58 58 LEU C C 58 174.867 174.997 -0.130 1
1 633 . 1 1 1 A 58 58 LEU CA C 58 53.322 54.046 -0.724 1
1 634 . 1 1 1 A 58 58 LEU CB C 58 41.891 41.467 0.424 1
1 638 . 1 1 1 A 58 58 LEU N N 58 122.146 121.001 1.145 1
1 639 . 1 1 1 A 59 59 PRO HA H 59 4.489 4.762 -0.273 1
1 645 . 1 1 1 A 59 59 PRO C C 59 176.849 176.913 -0.064 1
1 646 . 1 1 1 A 59 59 PRO CA C 59 63.047 62.690 0.357 1
1 647 . 1 1 1 A 59 59 PRO CB C 59 32.066 31.706 0.360 1
1 650 . 1 1 1 A 60 60 GLN H H 60 8.496 8.253 0.243 1
1 651 . 1 1 1 A 60 60 GLN HA H 60 4.595 4.660 -0.065 1
1 658 . 1 1 1 A 60 60 GLN C C 60 174.178 174.569 -0.391 1
1 659 . 1 1 1 A 60 60 GLN CA C 60 53.464 54.236 -0.772 1
1 660 . 1 1 1 A 60 60 GLN CB C 60 28.989 29.089 -0.100 1
1 662 . 1 1 1 A 60 60 GLN N N 60 121.828 118.746 3.082 1
1 664 . 1 1 1 A 61 61 PRO HA H 61 4.397 4.743 -0.346 1
1 670 . 1 1 1 A 61 61 PRO C C 61 176.634 176.002 0.632 1
1 671 . 1 1 1 A 61 61 PRO CA C 61 63.150 62.900 0.250 1
1 672 . 1 1 1 A 61 61 PRO CB C 61 32.103 31.682 0.421 1
1 675 . 1 1 1 A 62 62 ALA H H 62 8.445 8.353 0.092 1
1 676 . 1 1 1 A 62 62 ALA HA H 62 4.280 4.801 -0.521 1
1 680 . 1 1 1 A 62 62 ALA C C 62 177.871 175.672 2.199 1
1 681 . 1 1 1 A 62 62 ALA CA C 62 52.522 50.924 1.598 1
1 682 . 1 1 1 A 62 62 ALA CB C 62 19.309 22.645 -3.336 1
1 683 . 1 1 1 A 62 62 ALA N N 62 124.460 124.168 0.292 1
1 684 . 1 1 1 A 63 63 GLU H H 63 8.410 8.462 -0.052 1
1 685 . 1 1 1 A 63 63 GLU HA H 63 4.287 4.425 -0.138 1
1 689 . 1 1 1 A 63 63 GLU C C 63 176.521 176.148 0.373 1
1 690 . 1 1 1 A 63 63 GLU CA C 63 56.478 56.328 0.150 1
1 691 . 1 1 1 A 63 63 GLU CB C 63 30.371 29.976 0.395 1
1 693 . 1 1 1 A 63 63 GLU N N 63 120.216 119.144 1.072 1
1 694 . 1 1 1 A 64 64 VAL H H 64 8.221 8.671 -0.450 1
1 695 . 1 1 1 A 64 64 VAL HA H 64 4.177 4.653 -0.476 1
1 703 . 1 1 1 A 64 64 VAL C C 64 176.179 176.448 -0.269 1
1 704 . 1 1 1 A 64 64 VAL CA C 64 62.212 60.028 2.184 1
1 705 . 1 1 1 A 64 64 VAL CB C 64 32.875 35.484 -2.609 1
1 708 . 1 1 1 A 64 64 VAL N N 64 121.436 124.775 -3.339 1
1 709 . 1 1 1 A 65 65 SER H H 65 8.421 8.677 -0.256 1
1 710 . 1 1 1 A 65 65 SER HA H 65 4.500 4.219 0.281 1
1 713 . 1 1 1 A 65 65 SER C C 65 174.560 174.633 -0.073 1
1 714 . 1 1 1 A 65 65 SER CA C 65 58.411 61.020 -2.609 1
1 715 . 1 1 1 A 65 65 SER CB C 65 63.999 63.264 0.735 1
1 716 . 1 1 1 A 65 65 SER N N 65 119.752 118.927 0.825 1
1 717 . 1 1 1 A 66 66 GLY H H 66 8.268 7.373 0.895 1
1 718 . 1 1 1 A 66 66 GLY HA2 H 66 4.065 4.108 -0.043 1
1 719 . 1 1 1 A 66 66 GLY HA3 H 66 4.191 4.110 0.081 1
1 720 . 1 1 1 A 66 66 GLY C C 66 171.744 172.313 -0.569 1
1 721 . 1 1 1 A 66 66 GLY CA C 66 44.679 45.645 -0.966 1
1 722 . 1 1 1 A 66 66 GLY N N 66 110.950 108.216 2.734 1
1 723 . 1 1 1 A 67 67 PRO HA H 67 4.481 4.466 0.015 1
1 728 . 1 1 1 A 67 67 PRO C C 67 177.427 176.974 0.453 1
1 729 . 1 1 1 A 67 67 PRO CA C 67 63.264 62.840 0.424 1
1 730 . 1 1 1 A 67 67 PRO CB C 67 32.200 32.060 0.140 1
1 733 . 1 1 1 A 68 68 SER H H 68 8.543 8.362 0.181 1
1 734 . 1 1 1 A 68 68 SER HA H 68 4.559 4.555 0.004 1
1 737 . 1 1 1 A 68 68 SER C C 68 174.726 173.930 0.796 1
1 738 . 1 1 1 A 68 68 SER CA C 68 58.368 57.593 0.775 1
1 739 . 1 1 1 A 68 68 SER CB C 68 63.934 63.276 0.658 1
1 740 . 1 1 1 A 68 68 SER N N 68 116.507 116.399 0.108 1
1 741 . 1 1 1 A 69 69 SER H H 69 8.349 9.092 -0.743 1
1 742 . 1 1 1 A 69 69 SER HA H 69 4.507 4.512 -0.005 1
1 745 . 1 1 1 A 69 69 SER C C 69 173.960 174.107 -0.147 1
1 746 . 1 1 1 A 69 69 SER CA C 69 58.355 59.250 -0.895 1
1 747 . 1 1 1 A 69 69 SER CB C 69 63.993 65.559 -1.566 1
1 748 . 1 1 1 A 69 69 SER N N 69 117.971 120.236 -2.265 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.533 4.698 -0.165 1
1 4 . 2 1 1 A 6 6 SER C C 6 174.513 173.816 0.697 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.407 58.068 0.339 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.873 62.419 1.454 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.204 7.967 0.237 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 4.085 4.196 -0.111 1
1 9 . 2 1 1 A 7 7 GLY C C 7 171.507 172.156 -0.649 1
1 10 . 2 1 1 A 7 7 GLY CA C 7 44.598 46.165 -1.567 1
1 11 . 2 1 1 A 7 7 GLY N N 7 110.772 110.585 0.187 1
1 12 . 2 1 1 A 8 8 PRO HA H 8 4.421 4.488 -0.067 1
1 17 . 2 1 1 A 8 8 PRO C C 8 176.943 176.408 0.535 1
1 18 . 2 1 1 A 8 8 PRO CA C 8 62.917 62.398 0.519 1
1 19 . 2 1 1 A 8 8 PRO CB C 8 32.101 33.091 -0.990 1
1 22 . 2 1 1 A 9 9 LEU H H 9 8.334 8.377 -0.043 1
1 23 . 2 1 1 A 9 9 LEU HA H 9 4.584 4.395 0.189 1
1 33 . 2 1 1 A 9 9 LEU C C 9 175.412 174.997 0.415 1
1 34 . 2 1 1 A 9 9 LEU CA C 9 53.030 53.743 -0.713 1
1 35 . 2 1 1 A 9 9 LEU CB C 9 41.804 41.579 0.225 1
1 39 . 2 1 1 A 9 9 LEU N N 9 123.997 122.763 1.234 1
1 40 . 2 1 1 A 10 10 PRO HA H 10 4.425 4.594 -0.169 1
1 46 . 2 1 1 A 10 10 PRO C C 10 176.530 176.842 -0.312 1
1 47 . 2 1 1 A 10 10 PRO CA C 10 62.801 62.190 0.611 1
1 48 . 2 1 1 A 10 10 PRO CB C 10 31.871 32.506 -0.635 1
1 51 . 2 1 1 A 11 11 ILE H H 11 8.216 8.310 -0.094 1
1 52 . 2 1 1 A 11 11 ILE HA H 11 4.429 4.247 0.182 1
1 62 . 2 1 1 A 11 11 ILE C C 11 174.437 175.396 -0.959 1
1 63 . 2 1 1 A 11 11 ILE CA C 11 58.548 60.197 -1.649 1
1 64 . 2 1 1 A 11 11 ILE CB C 11 38.746 37.953 0.793 1
1 68 . 2 1 1 A 11 11 ILE N N 11 123.082 119.767 3.315 1
1 72 . 2 1 1 A 16 16 PRO HA H 16 4.575 4.540 0.035 1
1 78 . 2 1 1 A 16 16 PRO C C 16 175.885 175.301 0.584 1
1 79 . 2 1 1 A 16 16 PRO CA C 16 63.146 62.638 0.508 1
1 80 . 2 1 1 A 16 16 PRO CB C 16 32.894 32.287 0.607 1
1 83 . 2 1 1 A 17 17 ASP H H 17 8.822 8.414 0.408 1
1 84 . 2 1 1 A 17 17 ASP HA H 17 4.832 4.823 0.009 1
1 87 . 2 1 1 A 17 17 ASP C C 17 174.878 176.302 -1.424 1
1 88 . 2 1 1 A 17 17 ASP CA C 17 52.473 52.819 -0.346 1
1 89 . 2 1 1 A 17 17 ASP CB C 17 42.755 41.435 1.320 1
1 90 . 2 1 1 A 17 17 ASP N N 17 121.885 120.367 1.518 1
1 91 . 2 1 1 A 18 18 ILE H H 18 8.259 8.585 -0.326 1
1 92 . 2 1 1 A 18 18 ILE HA H 18 3.889 3.941 -0.052 1
1 102 . 2 1 1 A 18 18 ILE C C 18 178.346 176.972 1.374 1
1 103 . 2 1 1 A 18 18 ILE CA C 18 59.806 61.248 -1.442 1
1 104 . 2 1 1 A 18 18 ILE CB C 18 38.247 38.277 -0.030 1
1 108 . 2 1 1 A 18 18 ILE N N 18 118.184 126.106 -7.922 1
1 109 . 2 1 1 A 19 19 GLN H H 19 8.404 7.783 0.621 1
1 110 . 2 1 1 A 19 19 GLN HA H 19 4.199 4.139 0.060 1
1 117 . 2 1 1 A 19 19 GLN C C 19 175.287 174.254 1.033 1
1 118 . 2 1 1 A 19 19 GLN CA C 19 60.889 60.805 0.084 1
1 119 . 2 1 1 A 19 19 GLN CB C 19 26.552 26.771 -0.219 1
1 121 . 2 1 1 A 19 19 GLN N N 19 123.230 122.230 1.000 1
1 123 . 2 1 1 A 20 20 PRO HA H 20 4.217 4.260 -0.043 1
1 130 . 2 1 1 A 20 20 PRO C C 20 179.677 179.578 0.099 1
1 131 . 2 1 1 A 20 20 PRO CA C 20 65.855 66.360 -0.505 1
1 132 . 2 1 1 A 20 20 PRO CB C 20 31.439 30.615 0.824 1
1 135 . 2 1 1 A 21 21 LEU H H 21 7.026 7.449 -0.423 1
1 136 . 2 1 1 A 21 21 LEU HA H 21 3.885 4.053 -0.168 1
1 146 . 2 1 1 A 21 21 LEU C C 21 177.599 178.420 -0.821 1
1 147 . 2 1 1 A 21 21 LEU CA C 21 58.435 57.271 1.164 1
1 148 . 2 1 1 A 21 21 LEU CB C 21 37.236 40.946 -3.710 1
1 152 . 2 1 1 A 21 21 LEU N N 21 116.369 117.012 -0.643 1
1 153 . 2 1 1 A 22 22 GLU H H 22 7.611 8.349 -0.738 1
1 154 . 2 1 1 A 22 22 GLU HA H 22 4.309 4.109 0.200 1
1 159 . 2 1 1 A 22 22 GLU C C 22 180.755 179.359 1.396 1
1 160 . 2 1 1 A 22 22 GLU CA C 22 59.887 59.948 -0.061 1
1 161 . 2 1 1 A 22 22 GLU CB C 22 29.715 29.363 0.352 1
1 163 . 2 1 1 A 22 22 GLU N N 22 119.345 119.329 0.016 1
1 164 . 2 1 1 A 23 23 ARG H H 23 8.662 8.058 0.604 1
1 165 . 2 1 1 A 23 23 ARG HA H 23 4.143 4.124 0.019 1
1 172 . 2 1 1 A 23 23 ARG C C 23 179.115 178.689 0.426 1
1 173 . 2 1 1 A 23 23 ARG CA C 23 59.453 59.701 -0.248 1
1 174 . 2 1 1 A 23 23 ARG CB C 23 30.628 30.207 0.421 1
1 177 . 2 1 1 A 23 23 ARG N N 23 119.060 119.555 -0.495 1
1 178 . 2 1 1 A 24 24 TYR H H 24 7.798 7.839 -0.041 1
1 179 . 2 1 1 A 24 24 TYR HA H 24 4.349 4.446 -0.097 1
1 186 . 2 1 1 A 24 24 TYR C C 24 178.627 177.634 0.993 1
1 187 . 2 1 1 A 24 24 TYR CA C 24 61.883 61.720 0.163 1
1 188 . 2 1 1 A 24 24 TYR CB C 24 39.326 38.846 0.480 1
1 193 . 2 1 1 A 24 24 TYR N N 24 122.046 120.598 1.448 1
1 194 . 2 1 1 A 25 25 TRP H H 25 9.612 8.358 1.254 1
1 195 . 2 1 1 A 25 25 TRP HA H 25 4.680 4.538 0.142 1
1 204 . 2 1 1 A 25 25 TRP C C 25 178.218 178.560 -0.342 1
1 205 . 2 1 1 A 25 25 TRP CA C 25 60.775 61.312 -0.537 1
1 206 . 2 1 1 A 25 25 TRP CB C 25 29.956 29.782 0.174 1
1 212 . 2 1 1 A 25 25 TRP N N 25 121.351 121.673 -0.322 1
1 214 . 2 1 1 A 26 26 ALA H H 26 8.336 8.251 0.085 1
1 215 . 2 1 1 A 26 26 ALA HA H 26 3.911 4.079 -0.168 1
1 219 . 2 1 1 A 26 26 ALA C C 26 178.850 179.079 -0.229 1
1 220 . 2 1 1 A 26 26 ALA CA C 26 54.720 53.574 1.146 1
1 221 . 2 1 1 A 26 26 ALA CB C 26 18.147 18.379 -0.232 1
1 222 . 2 1 1 A 26 26 ALA N N 26 118.991 121.245 -2.254 1
1 223 . 2 1 1 A 27 27 ALA H H 27 7.261 7.802 -0.541 1
1 224 . 2 1 1 A 27 27 ALA HA H 27 4.071 4.101 -0.030 1
1 228 . 2 1 1 A 27 27 ALA C C 27 178.433 178.712 -0.279 1
1 229 . 2 1 1 A 27 27 ALA CA C 27 53.440 54.455 -1.015 1
1 230 . 2 1 1 A 27 27 ALA CB C 27 18.789 19.054 -0.265 1
1 231 . 2 1 1 A 27 27 ALA N N 27 116.928 119.442 -2.514 1
1 232 . 2 1 1 A 28 28 HIS H H 28 7.810 7.833 -0.023 1
1 233 . 2 1 1 A 28 28 HIS HA H 28 4.574 4.519 0.055 1
1 238 . 2 1 1 A 28 28 HIS C C 28 175.351 174.815 0.536 1
1 239 . 2 1 1 A 28 28 HIS CA C 28 56.709 56.247 0.462 1
1 240 . 2 1 1 A 28 28 HIS CB C 28 31.928 31.510 0.418 1
1 243 . 2 1 1 A 28 28 HIS N N 28 113.337 110.850 2.487 1
1 244 . 2 1 1 A 29 29 GLN H H 29 8.811 7.913 0.898 1
1 245 . 2 1 1 A 29 29 GLN HA H 29 2.344 3.182 -0.838 1
1 251 . 2 1 1 A 29 29 GLN C C 29 173.677 174.378 -0.701 1
1 252 . 2 1 1 A 29 29 GLN CA C 29 57.111 56.449 0.662 1
1 253 . 2 1 1 A 29 29 GLN CB C 29 26.795 27.030 -0.235 1
1 255 . 2 1 1 A 29 29 GLN N N 29 115.607 118.543 -2.936 1
1 257 . 2 1 1 A 30 30 GLN H H 30 7.465 7.608 -0.143 1
1 258 . 2 1 1 A 30 30 GLN HA H 30 4.607 4.972 -0.365 1
1 265 . 2 1 1 A 30 30 GLN C C 30 173.052 173.616 -0.564 1
1 266 . 2 1 1 A 30 30 GLN CA C 30 54.807 54.748 0.059 1
1 267 . 2 1 1 A 30 30 GLN CB C 30 30.766 32.038 -1.272 1
1 269 . 2 1 1 A 30 30 GLN N N 30 112.695 114.457 -1.762 1
1 271 . 2 1 1 A 31 31 LEU H H 31 8.805 8.756 0.049 1
1 272 . 2 1 1 A 31 31 LEU HA H 31 4.440 4.591 -0.151 1
1 282 . 2 1 1 A 31 31 LEU C C 31 176.017 175.114 0.903 1
1 283 . 2 1 1 A 31 31 LEU CA C 31 54.608 54.911 -0.303 1
1 284 . 2 1 1 A 31 31 LEU CB C 31 42.819 43.201 -0.382 1
1 288 . 2 1 1 A 31 31 LEU N N 31 121.685 126.815 -5.130 1
1 289 . 2 1 1 A 32 32 ARG H H 32 7.422 8.580 -1.158 1
1 290 . 2 1 1 A 32 32 ARG HA H 32 4.574 4.751 -0.177 1
1 297 . 2 1 1 A 32 32 ARG C C 32 177.277 176.575 0.702 1
1 298 . 2 1 1 A 32 32 ARG CA C 32 55.071 53.914 1.157 1
1 299 . 2 1 1 A 32 32 ARG CB C 32 29.854 33.027 -3.173 1
1 302 . 2 1 1 A 32 32 ARG N N 32 126.338 125.382 0.956 1
1 303 . 2 1 1 A 33 33 GLU H H 33 9.164 9.010 0.154 1
1 304 . 2 1 1 A 33 33 GLU HA H 33 3.766 3.975 -0.209 1
1 309 . 2 1 1 A 33 33 GLU C C 33 178.939 178.601 0.338 1
1 310 . 2 1 1 A 33 33 GLU CA C 33 60.097 59.332 0.765 1
1 311 . 2 1 1 A 33 33 GLU CB C 33 29.340 29.249 0.091 1
1 313 . 2 1 1 A 33 33 GLU N N 33 126.822 123.407 3.415 1
1 314 . 2 1 1 A 34 34 THR H H 34 7.785 7.909 -0.124 1
1 315 . 2 1 1 A 34 34 THR HA H 34 4.055 3.991 0.064 1
1 320 . 2 1 1 A 34 34 THR C C 34 175.387 175.659 -0.272 1
1 321 . 2 1 1 A 34 34 THR CA C 34 63.631 64.827 -1.196 1
1 322 . 2 1 1 A 34 34 THR CB C 34 68.560 68.844 -0.284 1
1 324 . 2 1 1 A 34 34 THR N N 34 108.953 115.816 -6.863 1
1 325 . 2 1 1 A 35 35 ASP H H 35 7.841 8.289 -0.448 1
1 326 . 2 1 1 A 35 35 ASP HA H 35 4.928 4.530 0.398 1
1 329 . 2 1 1 A 35 35 ASP C C 35 175.827 177.584 -1.757 1
1 330 . 2 1 1 A 35 35 ASP CA C 35 55.169 55.079 0.090 1
1 331 . 2 1 1 A 35 35 ASP CB C 35 41.057 41.446 -0.389 1
1 332 . 2 1 1 A 35 35 ASP N N 35 119.019 120.304 -1.285 1
1 333 . 2 1 1 A 36 36 ILE H H 36 7.388 7.861 -0.473 1
1 334 . 2 1 1 A 36 36 ILE HA H 36 3.495 3.657 -0.162 1
1 344 . 2 1 1 A 36 36 ILE C C 36 174.161 175.233 -1.072 1
1 345 . 2 1 1 A 36 36 ILE CA C 36 67.912 66.296 1.616 1
1 346 . 2 1 1 A 36 36 ILE CB C 36 35.457 35.520 -0.063 1
1 350 . 2 1 1 A 36 36 ILE N N 36 119.567 121.383 -1.816 1
1 351 . 2 1 1 A 37 37 PRO HA H 37 4.232 4.318 -0.086 1
1 358 . 2 1 1 A 37 37 PRO C C 37 179.572 178.769 0.803 1
1 359 . 2 1 1 A 37 37 PRO CA C 37 66.890 65.348 1.542 1
1 360 . 2 1 1 A 37 37 PRO CB C 37 30.704 30.709 -0.005 1
1 363 . 2 1 1 A 38 38 GLN H H 38 7.837 8.092 -0.255 1
1 364 . 2 1 1 A 38 38 GLN HA H 38 4.143 4.057 0.086 1
1 371 . 2 1 1 A 38 38 GLN C C 38 178.918 178.412 0.506 1
1 372 . 2 1 1 A 38 38 GLN CA C 38 59.171 58.899 0.272 1
1 373 . 2 1 1 A 38 38 GLN CB C 38 27.986 28.279 -0.293 1
1 375 . 2 1 1 A 38 38 GLN N N 38 117.627 117.483 0.144 1
1 377 . 2 1 1 A 39 39 LEU H H 39 7.991 8.418 -0.427 1
1 378 . 2 1 1 A 39 39 LEU HA H 39 3.995 4.045 -0.050 1
1 388 . 2 1 1 A 39 39 LEU C C 39 180.831 179.119 1.712 1
1 389 . 2 1 1 A 39 39 LEU CA C 39 57.722 57.639 0.083 1
1 390 . 2 1 1 A 39 39 LEU CB C 39 42.314 41.012 1.302 1
1 394 . 2 1 1 A 39 39 LEU N N 39 121.128 119.723 1.405 1
1 395 . 2 1 1 A 40 40 SER H H 40 8.980 8.055 0.925 1
1 396 . 2 1 1 A 40 40 SER HA H 40 4.086 4.060 0.026 1
1 399 . 2 1 1 A 40 40 SER C C 40 176.517 177.017 -0.500 1
1 400 . 2 1 1 A 40 40 SER CA C 40 60.859 61.397 -0.538 1
1 401 . 2 1 1 A 40 40 SER CB C 40 63.255 62.998 0.257 1
1 402 . 2 1 1 A 40 40 SER N N 40 117.510 114.093 3.417 1
1 403 . 2 1 1 A 41 41 GLN H H 41 8.074 7.200 0.874 1
1 404 . 2 1 1 A 41 41 GLN HA H 41 4.014 4.114 -0.100 1
1 411 . 2 1 1 A 41 41 GLN C C 41 178.637 178.256 0.381 1
1 412 . 2 1 1 A 41 41 GLN CA C 41 58.955 58.099 0.856 1
1 413 . 2 1 1 A 41 41 GLN CB C 41 28.421 28.164 0.257 1
1 415 . 2 1 1 A 41 41 GLN N N 41 120.218 121.467 -1.249 1
1 417 . 2 1 1 A 42 42 ALA H H 42 8.149 7.495 0.654 1
1 418 . 2 1 1 A 42 42 ALA HA H 42 4.162 4.160 0.002 1
1 422 . 2 1 1 A 42 42 ALA C C 42 178.442 179.864 -1.422 1
1 423 . 2 1 1 A 42 42 ALA CA C 42 54.567 54.956 -0.389 1
1 424 . 2 1 1 A 42 42 ALA CB C 42 19.202 18.426 0.776 1
1 425 . 2 1 1 A 42 42 ALA N N 42 118.903 122.603 -3.700 1
1 426 . 2 1 1 A 43 43 SER H H 43 7.784 8.110 -0.326 1
1 427 . 2 1 1 A 43 43 SER HA H 43 4.851 4.801 0.050 1
1 430 . 2 1 1 A 43 43 SER C C 43 175.304 173.075 2.229 1
1 431 . 2 1 1 A 43 43 SER CA C 43 59.180 57.971 1.209 1
1 432 . 2 1 1 A 43 43 SER CB C 43 66.897 63.106 3.791 1
1 433 . 2 1 1 A 43 43 SER N N 43 109.522 111.767 -2.245 1
1 434 . 2 1 1 A 44 44 ARG H H 44 7.799 7.830 -0.031 1
1 435 . 2 1 1 A 44 44 ARG HA H 44 3.872 3.858 0.014 1
1 441 . 2 1 1 A 44 44 ARG C C 44 175.312 174.515 0.797 1
1 442 . 2 1 1 A 44 44 ARG CA C 44 58.582 57.236 1.346 1
1 443 . 2 1 1 A 44 44 ARG CB C 44 26.661 26.856 -0.195 1
1 446 . 2 1 1 A 44 44 ARG N N 44 114.335 117.746 -3.411 1
1 447 . 2 1 1 A 45 45 LEU H H 45 7.759 7.748 0.011 1
1 448 . 2 1 1 A 45 45 LEU HA H 45 4.571 4.911 -0.340 1
1 458 . 2 1 1 A 45 45 LEU C C 45 177.069 175.317 1.752 1
1 459 . 2 1 1 A 45 45 LEU CA C 45 53.471 53.122 0.349 1
1 460 . 2 1 1 A 45 45 LEU CB C 45 43.845 45.368 -1.523 1
1 464 . 2 1 1 A 45 45 LEU N N 45 120.316 118.928 1.388 1
1 465 . 2 1 1 A 46 46 SER H H 46 9.062 8.655 0.407 1
1 466 . 2 1 1 A 46 46 SER HA H 46 4.446 4.816 -0.370 1
1 469 . 2 1 1 A 46 46 SER C C 46 174.731 175.378 -0.647 1
1 470 . 2 1 1 A 46 46 SER CA C 46 57.302 56.809 0.493 1
1 471 . 2 1 1 A 46 46 SER CB C 46 65.202 65.129 0.073 1
1 472 . 2 1 1 A 46 46 SER N N 46 117.855 116.082 1.773 1
1 473 . 2 1 1 A 47 47 THR H H 47 8.770 8.802 -0.032 1
1 474 . 2 1 1 A 47 47 THR HA H 47 3.578 3.887 -0.309 1
1 479 . 2 1 1 A 47 47 THR C C 47 176.003 176.333 -0.330 1
1 480 . 2 1 1 A 47 47 THR CA C 47 67.477 66.258 1.219 1
1 481 . 2 1 1 A 47 47 THR CB C 47 68.317 68.594 -0.277 1
1 483 . 2 1 1 A 47 47 THR N N 47 115.428 120.059 -4.631 1
1 484 . 2 1 1 A 48 48 GLN H H 48 8.292 8.001 0.291 1
1 485 . 2 1 1 A 48 48 GLN HA H 48 3.890 3.975 -0.085 1
1 492 . 2 1 1 A 48 48 GLN C C 48 177.625 178.115 -0.490 1
1 493 . 2 1 1 A 48 48 GLN CA C 48 58.482 59.023 -0.541 1
1 494 . 2 1 1 A 48 48 GLN CB C 48 28.614 28.590 0.024 1
1 496 . 2 1 1 A 48 48 GLN N N 48 119.078 119.975 -0.897 1
1 498 . 2 1 1 A 49 49 GLN H H 49 7.765 8.160 -0.395 1
1 499 . 2 1 1 A 49 49 GLN HA H 49 4.153 3.966 0.187 1
1 506 . 2 1 1 A 49 49 GLN C C 49 180.153 178.890 1.263 1
1 507 . 2 1 1 A 49 49 GLN CA C 49 58.927 59.370 -0.443 1
1 508 . 2 1 1 A 49 49 GLN CB C 49 30.030 28.149 1.881 1
1 510 . 2 1 1 A 49 49 GLN N N 49 117.667 118.578 -0.911 1
1 512 . 2 1 1 A 50 50 VAL H H 50 8.465 7.736 0.729 1
1 513 . 2 1 1 A 50 50 VAL HA H 50 3.620 3.776 -0.156 1
1 521 . 2 1 1 A 50 50 VAL C C 50 177.691 178.514 -0.823 1
1 522 . 2 1 1 A 50 50 VAL CA C 50 67.588 66.324 1.264 1
1 523 . 2 1 1 A 50 50 VAL CB C 50 31.470 31.520 -0.050 1
1 526 . 2 1 1 A 50 50 VAL N N 50 122.227 119.821 2.406 1
1 527 . 2 1 1 A 51 51 LEU H H 51 8.119 7.960 0.159 1
1 528 . 2 1 1 A 51 51 LEU HA H 51 3.975 3.952 0.023 1
1 538 . 2 1 1 A 51 51 LEU C C 51 179.950 178.906 1.044 1
1 539 . 2 1 1 A 51 51 LEU CA C 51 59.206 58.123 1.083 1
1 540 . 2 1 1 A 51 51 LEU CB C 51 41.515 41.200 0.315 1
1 544 . 2 1 1 A 51 51 LEU N N 51 120.724 120.132 0.592 1
1 545 . 2 1 1 A 52 52 ASP H H 52 8.780 8.460 0.320 1
1 546 . 2 1 1 A 52 52 ASP HA H 52 4.344 4.375 -0.031 1
1 549 . 2 1 1 A 52 52 ASP C C 52 178.654 178.481 0.173 1
1 550 . 2 1 1 A 52 52 ASP CA C 52 57.310 57.176 0.134 1
1 551 . 2 1 1 A 52 52 ASP CB C 52 40.418 40.500 -0.082 1
1 552 . 2 1 1 A 52 52 ASP N N 52 118.559 118.701 -0.142 1
1 553 . 2 1 1 A 53 53 TRP H H 53 8.180 8.155 0.025 1
1 554 . 2 1 1 A 53 53 TRP HA H 53 3.905 4.327 -0.422 1
1 563 . 2 1 1 A 53 53 TRP C C 53 180.216 178.299 1.917 1
1 564 . 2 1 1 A 53 53 TRP CA C 53 62.801 61.192 1.609 1
1 565 . 2 1 1 A 53 53 TRP CB C 53 29.117 30.777 -1.660 1
1 571 . 2 1 1 A 53 53 TRP N N 53 123.121 121.642 1.479 1
1 573 . 2 1 1 A 54 54 PHE H H 54 8.371 8.371 0.000 1
1 574 . 2 1 1 A 54 54 PHE HA H 54 3.786 4.040 -0.254 1
1 582 . 2 1 1 A 54 54 PHE C C 54 178.605 177.908 0.697 1
1 583 . 2 1 1 A 54 54 PHE CA C 54 63.242 61.873 1.369 1
1 584 . 2 1 1 A 54 54 PHE CB C 54 39.446 38.964 0.482 1
1 590 . 2 1 1 A 54 54 PHE N N 54 117.319 117.814 -0.495 1
1 591 . 2 1 1 A 55 55 ASP H H 55 8.609 8.187 0.422 1
1 592 . 2 1 1 A 55 55 ASP HA H 55 4.499 4.418 0.081 1
1 595 . 2 1 1 A 55 55 ASP C C 55 177.993 178.441 -0.448 1
1 596 . 2 1 1 A 55 55 ASP CA C 55 57.370 57.455 -0.085 1
1 597 . 2 1 1 A 55 55 ASP CB C 55 41.096 42.133 -1.037 1
1 598 . 2 1 1 A 55 55 ASP N N 55 120.805 119.554 1.251 1
1 599 . 2 1 1 A 56 56 SER H H 56 7.450 7.982 -0.532 1
1 600 . 2 1 1 A 56 56 SER HA H 56 4.236 4.079 0.157 1
1 603 . 2 1 1 A 56 56 SER C C 56 174.228 177.146 -2.918 1
1 604 . 2 1 1 A 56 56 SER CA C 56 59.538 61.120 -1.582 1
1 605 . 2 1 1 A 56 56 SER CB C 56 63.340 62.853 0.487 1
1 606 . 2 1 1 A 56 56 SER N N 56 111.640 114.073 -2.433 1
1 607 . 2 1 1 A 57 57 ARG H H 57 7.061 7.343 -0.282 1
1 608 . 2 1 1 A 57 57 ARG HA H 57 3.803 3.771 0.032 1
1 615 . 2 1 1 A 57 57 ARG C C 57 175.909 177.073 -1.164 1
1 616 . 2 1 1 A 57 57 ARG CA C 57 55.254 58.625 -3.371 1
1 617 . 2 1 1 A 57 57 ARG CB C 57 30.216 29.016 1.200 1
1 620 . 2 1 1 A 57 57 ARG N N 57 120.670 119.371 1.299 1
1 621 . 2 1 1 A 58 58 LEU H H 58 7.519 7.161 0.358 1
1 622 . 2 1 1 A 58 58 LEU HA H 58 4.611 4.500 0.111 1
1 632 . 2 1 1 A 58 58 LEU C C 58 174.867 175.229 -0.362 1
1 633 . 2 1 1 A 58 58 LEU CA C 58 53.322 54.163 -0.841 1
1 634 . 2 1 1 A 58 58 LEU CB C 58 41.891 41.599 0.292 1
1 638 . 2 1 1 A 58 58 LEU N N 58 122.146 121.123 1.023 1
1 639 . 2 1 1 A 59 59 PRO HA H 59 4.489 4.742 -0.253 1
1 645 . 2 1 1 A 59 59 PRO C C 59 176.849 176.024 0.825 1
1 646 . 2 1 1 A 59 59 PRO CA C 59 63.047 62.610 0.437 1
1 647 . 2 1 1 A 59 59 PRO CB C 59 32.066 30.407 1.659 1
1 650 . 2 1 1 A 60 60 GLN H H 60 8.496 8.118 0.378 1
1 651 . 2 1 1 A 60 60 GLN HA H 60 4.595 5.032 -0.437 1
1 658 . 2 1 1 A 60 60 GLN C C 60 174.178 173.047 1.131 1
1 659 . 2 1 1 A 60 60 GLN CA C 60 53.464 52.850 0.614 1
1 660 . 2 1 1 A 60 60 GLN CB C 60 28.989 31.699 -2.710 1
1 662 . 2 1 1 A 60 60 GLN N N 60 121.828 117.635 4.193 1
1 664 . 2 1 1 A 61 61 PRO HA H 61 4.397 4.696 -0.299 1
1 670 . 2 1 1 A 61 61 PRO C C 61 176.634 176.891 -0.257 1
1 671 . 2 1 1 A 61 61 PRO CA C 61 63.150 62.583 0.567 1
1 672 . 2 1 1 A 61 61 PRO CB C 61 32.103 31.643 0.460 1
1 675 . 2 1 1 A 62 62 ALA H H 62 8.445 8.138 0.307 1
1 676 . 2 1 1 A 62 62 ALA HA H 62 4.280 4.425 -0.145 1
1 680 . 2 1 1 A 62 62 ALA C C 62 177.871 176.727 1.144 1
1 681 . 2 1 1 A 62 62 ALA CA C 62 52.522 51.749 0.773 1
1 682 . 2 1 1 A 62 62 ALA CB C 62 19.309 19.996 -0.687 1
1 683 . 2 1 1 A 62 62 ALA N N 62 124.460 124.917 -0.457 1
1 684 . 2 1 1 A 63 63 GLU H H 63 8.410 8.692 -0.282 1
1 685 . 2 1 1 A 63 63 GLU HA H 63 4.287 4.808 -0.521 1
1 689 . 2 1 1 A 63 63 GLU C C 63 176.521 174.953 1.568 1
1 690 . 2 1 1 A 63 63 GLU CA C 63 56.478 55.091 1.387 1
1 691 . 2 1 1 A 63 63 GLU CB C 63 30.371 33.813 -3.442 1
1 693 . 2 1 1 A 63 63 GLU N N 63 120.216 119.373 0.843 1
1 694 . 2 1 1 A 64 64 VAL H H 64 8.221 8.502 -0.281 1
1 695 . 2 1 1 A 64 64 VAL HA H 64 4.177 4.435 -0.258 1
1 703 . 2 1 1 A 64 64 VAL C C 64 176.179 175.520 0.659 1
1 704 . 2 1 1 A 64 64 VAL CA C 64 62.212 61.399 0.813 1
1 705 . 2 1 1 A 64 64 VAL CB C 64 32.875 33.115 -0.240 1
1 708 . 2 1 1 A 64 64 VAL N N 64 121.436 123.434 -1.998 1
1 709 . 2 1 1 A 65 65 SER H H 65 8.421 8.732 -0.311 1
1 710 . 2 1 1 A 65 65 SER HA H 65 4.500 4.862 -0.362 1
1 713 . 2 1 1 A 65 65 SER C C 65 174.560 172.876 1.684 1
1 714 . 2 1 1 A 65 65 SER CA C 65 58.411 57.397 1.014 1
1 715 . 2 1 1 A 65 65 SER CB C 65 63.999 66.596 -2.597 1
1 716 . 2 1 1 A 65 65 SER N N 65 119.752 116.127 3.625 1
1 717 . 2 1 1 A 66 66 GLY H H 66 8.268 8.540 -0.272 1
1 718 . 2 1 1 A 66 66 GLY HA2 H 66 4.065 4.449 -0.384 1
1 719 . 2 1 1 A 66 66 GLY HA3 H 66 4.191 4.450 -0.259 1
1 720 . 2 1 1 A 66 66 GLY C C 66 171.744 172.159 -0.415 1
1 721 . 2 1 1 A 66 66 GLY CA C 66 44.679 46.579 -1.900 1
1 722 . 2 1 1 A 66 66 GLY N N 66 110.950 108.029 2.921 1
1 723 . 2 1 1 A 67 67 PRO HA H 67 4.481 4.690 -0.209 1
1 728 . 2 1 1 A 67 67 PRO C C 67 177.427 175.292 2.135 1
1 729 . 2 1 1 A 67 67 PRO CA C 67 63.264 62.698 0.566 1
1 730 . 2 1 1 A 67 67 PRO CB C 67 32.200 33.424 -1.224 1
1 733 . 2 1 1 A 68 68 SER H H 68 8.543 8.763 -0.220 1
1 734 . 2 1 1 A 68 68 SER HA H 68 4.559 5.002 -0.443 1
1 737 . 2 1 1 A 68 68 SER C C 68 174.726 172.566 2.160 1
1 738 . 2 1 1 A 68 68 SER CA C 68 58.368 57.250 1.118 1
1 739 . 2 1 1 A 68 68 SER CB C 68 63.934 65.432 -1.498 1
1 740 . 2 1 1 A 68 68 SER N N 68 116.507 116.623 -0.116 1
1 741 . 2 1 1 A 69 69 SER H H 69 8.349 8.657 -0.308 1
1 742 . 2 1 1 A 69 69 SER HA H 69 4.507 5.098 -0.591 1
1 745 . 2 1 1 A 69 69 SER C C 69 173.960 174.795 -0.835 1
1 746 . 2 1 1 A 69 69 SER CA C 69 58.355 56.132 2.223 1
1 747 . 2 1 1 A 69 69 SER CB C 69 63.993 66.412 -2.419 1
1 748 . 2 1 1 A 69 69 SER N N 69 117.971 118.897 -0.926 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.533 4.900 -0.367 1
1 4 . 3 1 1 A 6 6 SER C C 6 174.513 172.950 1.563 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.407 56.874 1.533 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.873 65.953 -2.080 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.204 8.353 -0.149 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 4.085 4.107 -0.022 1
1 9 . 3 1 1 A 7 7 GLY C C 7 171.507 172.321 -0.814 1
1 10 . 3 1 1 A 7 7 GLY CA C 7 44.598 44.556 0.042 1
1 11 . 3 1 1 A 7 7 GLY N N 7 110.772 107.272 3.500 1
1 12 . 3 1 1 A 8 8 PRO HA H 8 4.421 4.555 -0.134 1
1 17 . 3 1 1 A 8 8 PRO C C 8 176.943 175.810 1.133 1
1 18 . 3 1 1 A 8 8 PRO CA C 8 62.917 62.471 0.446 1
1 19 . 3 1 1 A 8 8 PRO CB C 8 32.101 33.041 -0.940 1
1 22 . 3 1 1 A 9 9 LEU H H 9 8.334 8.379 -0.045 1
1 23 . 3 1 1 A 9 9 LEU HA H 9 4.584 4.685 -0.101 1
1 33 . 3 1 1 A 9 9 LEU C C 9 175.412 174.939 0.473 1
1 34 . 3 1 1 A 9 9 LEU CA C 9 53.030 52.785 0.245 1
1 35 . 3 1 1 A 9 9 LEU CB C 9 41.804 41.285 0.519 1
1 39 . 3 1 1 A 9 9 LEU N N 9 123.997 122.222 1.775 1
1 40 . 3 1 1 A 10 10 PRO HA H 10 4.425 4.627 -0.202 1
1 46 . 3 1 1 A 10 10 PRO C C 10 176.530 176.827 -0.297 1
1 47 . 3 1 1 A 10 10 PRO CA C 10 62.801 62.139 0.662 1
1 48 . 3 1 1 A 10 10 PRO CB C 10 31.871 32.680 -0.809 1
1 51 . 3 1 1 A 11 11 ILE H H 11 8.216 8.314 -0.098 1
1 52 . 3 1 1 A 11 11 ILE HA H 11 4.429 4.247 0.182 1
1 62 . 3 1 1 A 11 11 ILE C C 11 174.437 175.345 -0.908 1
1 63 . 3 1 1 A 11 11 ILE CA C 11 58.548 60.206 -1.658 1
1 64 . 3 1 1 A 11 11 ILE CB C 11 38.746 37.938 0.808 1
1 68 . 3 1 1 A 11 11 ILE N N 11 123.082 119.465 3.617 1
1 72 . 3 1 1 A 16 16 PRO HA H 16 4.575 4.540 0.035 1
1 78 . 3 1 1 A 16 16 PRO C C 16 175.885 175.146 0.739 1
1 79 . 3 1 1 A 16 16 PRO CA C 16 63.146 62.484 0.662 1
1 80 . 3 1 1 A 16 16 PRO CB C 16 32.894 32.712 0.182 1
1 83 . 3 1 1 A 17 17 ASP H H 17 8.822 8.212 0.610 1
1 84 . 3 1 1 A 17 17 ASP HA H 17 4.832 4.811 0.021 1
1 87 . 3 1 1 A 17 17 ASP C C 17 174.878 175.932 -1.054 1
1 88 . 3 1 1 A 17 17 ASP CA C 17 52.473 53.461 -0.988 1
1 89 . 3 1 1 A 17 17 ASP CB C 17 42.755 41.249 1.506 1
1 90 . 3 1 1 A 17 17 ASP N N 17 121.885 120.882 1.003 1
1 91 . 3 1 1 A 18 18 ILE H H 18 8.259 8.479 -0.220 1
1 92 . 3 1 1 A 18 18 ILE HA H 18 3.889 3.882 0.007 1
1 102 . 3 1 1 A 18 18 ILE C C 18 178.346 177.193 1.153 1
1 103 . 3 1 1 A 18 18 ILE CA C 18 59.806 61.753 -1.947 1
1 104 . 3 1 1 A 18 18 ILE CB C 18 38.247 38.172 0.075 1
1 108 . 3 1 1 A 18 18 ILE N N 18 118.184 125.486 -7.302 1
1 109 . 3 1 1 A 19 19 GLN H H 19 8.404 8.124 0.280 1
1 110 . 3 1 1 A 19 19 GLN HA H 19 4.199 4.096 0.103 1
1 117 . 3 1 1 A 19 19 GLN C C 19 175.287 174.254 1.033 1
1 118 . 3 1 1 A 19 19 GLN CA C 19 60.889 60.803 0.086 1
1 119 . 3 1 1 A 19 19 GLN CB C 19 26.552 26.785 -0.233 1
1 121 . 3 1 1 A 19 19 GLN N N 19 123.230 122.060 1.170 1
1 123 . 3 1 1 A 20 20 PRO HA H 20 4.217 4.255 -0.038 1
1 130 . 3 1 1 A 20 20 PRO C C 20 179.677 179.658 0.019 1
1 131 . 3 1 1 A 20 20 PRO CA C 20 65.855 66.382 -0.527 1
1 132 . 3 1 1 A 20 20 PRO CB C 20 31.439 30.619 0.820 1
1 135 . 3 1 1 A 21 21 LEU H H 21 7.026 7.173 -0.147 1
1 136 . 3 1 1 A 21 21 LEU HA H 21 3.885 4.118 -0.233 1
1 146 . 3 1 1 A 21 21 LEU C C 21 177.599 178.440 -0.841 1
1 147 . 3 1 1 A 21 21 LEU CA C 21 58.435 57.374 1.061 1
1 148 . 3 1 1 A 21 21 LEU CB C 21 37.236 40.749 -3.513 1
1 152 . 3 1 1 A 21 21 LEU N N 21 116.369 116.947 -0.578 1
1 153 . 3 1 1 A 22 22 GLU H H 22 7.611 8.463 -0.852 1
1 154 . 3 1 1 A 22 22 GLU HA H 22 4.309 4.132 0.177 1
1 159 . 3 1 1 A 22 22 GLU C C 22 180.755 179.461 1.294 1
1 160 . 3 1 1 A 22 22 GLU CA C 22 59.887 59.910 -0.023 1
1 161 . 3 1 1 A 22 22 GLU CB C 22 29.715 29.379 0.336 1
1 163 . 3 1 1 A 22 22 GLU N N 22 119.345 118.808 0.537 1
1 164 . 3 1 1 A 23 23 ARG H H 23 8.662 8.143 0.519 1
1 165 . 3 1 1 A 23 23 ARG HA H 23 4.143 4.104 0.039 1
1 172 . 3 1 1 A 23 23 ARG C C 23 179.115 178.710 0.405 1
1 173 . 3 1 1 A 23 23 ARG CA C 23 59.453 59.514 -0.061 1
1 174 . 3 1 1 A 23 23 ARG CB C 23 30.628 30.331 0.297 1
1 177 . 3 1 1 A 23 23 ARG N N 23 119.060 119.295 -0.235 1
1 178 . 3 1 1 A 24 24 TYR H H 24 7.798 7.879 -0.081 1
1 179 . 3 1 1 A 24 24 TYR HA H 24 4.349 4.312 0.037 1
1 186 . 3 1 1 A 24 24 TYR C C 24 178.627 177.648 0.979 1
1 187 . 3 1 1 A 24 24 TYR CA C 24 61.883 61.667 0.216 1
1 188 . 3 1 1 A 24 24 TYR CB C 24 39.326 38.840 0.486 1
1 193 . 3 1 1 A 24 24 TYR N N 24 122.046 120.657 1.389 1
1 194 . 3 1 1 A 25 25 TRP H H 25 9.612 8.537 1.075 1
1 195 . 3 1 1 A 25 25 TRP HA H 25 4.680 4.422 0.258 1
1 204 . 3 1 1 A 25 25 TRP C C 25 178.218 178.743 -0.525 1
1 205 . 3 1 1 A 25 25 TRP CA C 25 60.775 61.307 -0.532 1
1 206 . 3 1 1 A 25 25 TRP CB C 25 29.956 29.634 0.322 1
1 212 . 3 1 1 A 25 25 TRP N N 25 121.351 121.722 -0.371 1
1 214 . 3 1 1 A 26 26 ALA H H 26 8.336 8.356 -0.020 1
1 215 . 3 1 1 A 26 26 ALA HA H 26 3.911 4.037 -0.126 1
1 219 . 3 1 1 A 26 26 ALA C C 26 178.850 178.738 0.112 1
1 220 . 3 1 1 A 26 26 ALA CA C 26 54.720 53.552 1.168 1
1 221 . 3 1 1 A 26 26 ALA CB C 26 18.147 18.293 -0.146 1
1 222 . 3 1 1 A 26 26 ALA N N 26 118.991 121.201 -2.210 1
1 223 . 3 1 1 A 27 27 ALA H H 27 7.261 7.474 -0.213 1
1 224 . 3 1 1 A 27 27 ALA HA H 27 4.071 4.229 -0.158 1
1 228 . 3 1 1 A 27 27 ALA C C 27 178.433 179.025 -0.592 1
1 229 . 3 1 1 A 27 27 ALA CA C 27 53.440 53.884 -0.444 1
1 230 . 3 1 1 A 27 27 ALA CB C 27 18.789 19.794 -1.005 1
1 231 . 3 1 1 A 27 27 ALA N N 27 116.928 119.703 -2.775 1
1 232 . 3 1 1 A 28 28 HIS H H 28 7.810 8.010 -0.200 1
1 233 . 3 1 1 A 28 28 HIS HA H 28 4.574 4.431 0.143 1
1 238 . 3 1 1 A 28 28 HIS C C 28 175.351 174.640 0.711 1
1 239 . 3 1 1 A 28 28 HIS CA C 28 56.709 56.385 0.324 1
1 240 . 3 1 1 A 28 28 HIS CB C 28 31.928 30.762 1.166 1
1 243 . 3 1 1 A 28 28 HIS N N 28 113.337 112.311 1.026 1
1 244 . 3 1 1 A 29 29 GLN H H 29 8.811 7.659 1.152 1
1 245 . 3 1 1 A 29 29 GLN HA H 29 2.344 3.222 -0.878 1
1 251 . 3 1 1 A 29 29 GLN C C 29 173.677 174.186 -0.509 1
1 252 . 3 1 1 A 29 29 GLN CA C 29 57.111 56.621 0.490 1
1 253 . 3 1 1 A 29 29 GLN CB C 29 26.795 25.677 1.118 1
1 255 . 3 1 1 A 29 29 GLN N N 29 115.607 116.011 -0.404 1
1 257 . 3 1 1 A 30 30 GLN H H 30 7.465 7.659 -0.194 1
1 258 . 3 1 1 A 30 30 GLN HA H 30 4.607 4.917 -0.310 1
1 265 . 3 1 1 A 30 30 GLN C C 30 173.052 173.938 -0.886 1
1 266 . 3 1 1 A 30 30 GLN CA C 30 54.807 54.894 -0.087 1
1 267 . 3 1 1 A 30 30 GLN CB C 30 30.766 31.709 -0.943 1
1 269 . 3 1 1 A 30 30 GLN N N 30 112.695 114.019 -1.324 1
1 271 . 3 1 1 A 31 31 LEU H H 31 8.805 8.861 -0.056 1
1 272 . 3 1 1 A 31 31 LEU HA H 31 4.440 4.645 -0.205 1
1 282 . 3 1 1 A 31 31 LEU C C 31 176.017 175.388 0.629 1
1 283 . 3 1 1 A 31 31 LEU CA C 31 54.608 55.016 -0.408 1
1 284 . 3 1 1 A 31 31 LEU CB C 31 42.819 43.112 -0.293 1
1 288 . 3 1 1 A 31 31 LEU N N 31 121.685 127.030 -5.345 1
1 289 . 3 1 1 A 32 32 ARG H H 32 7.422 8.537 -1.115 1
1 290 . 3 1 1 A 32 32 ARG HA H 32 4.574 4.817 -0.243 1
1 297 . 3 1 1 A 32 32 ARG C C 32 177.277 176.594 0.683 1
1 298 . 3 1 1 A 32 32 ARG CA C 32 55.071 53.844 1.227 1
1 299 . 3 1 1 A 32 32 ARG CB C 32 29.854 33.098 -3.244 1
1 302 . 3 1 1 A 32 32 ARG N N 32 126.338 125.352 0.986 1
1 303 . 3 1 1 A 33 33 GLU H H 33 9.164 9.040 0.124 1
1 304 . 3 1 1 A 33 33 GLU HA H 33 3.766 3.975 -0.209 1
1 309 . 3 1 1 A 33 33 GLU C C 33 178.939 178.660 0.279 1
1 310 . 3 1 1 A 33 33 GLU CA C 33 60.097 59.422 0.675 1
1 311 . 3 1 1 A 33 33 GLU CB C 33 29.340 29.230 0.110 1
1 313 . 3 1 1 A 33 33 GLU N N 33 126.822 123.310 3.512 1
1 314 . 3 1 1 A 34 34 THR H H 34 7.785 7.942 -0.157 1
1 315 . 3 1 1 A 34 34 THR HA H 34 4.055 3.997 0.058 1
1 320 . 3 1 1 A 34 34 THR C C 34 175.387 175.803 -0.416 1
1 321 . 3 1 1 A 34 34 THR CA C 34 63.631 65.379 -1.748 1
1 322 . 3 1 1 A 34 34 THR CB C 34 68.560 68.568 -0.008 1
1 324 . 3 1 1 A 34 34 THR N N 34 108.953 115.843 -6.890 1
1 325 . 3 1 1 A 35 35 ASP H H 35 7.841 8.094 -0.253 1
1 326 . 3 1 1 A 35 35 ASP HA H 35 4.928 4.470 0.458 1
1 329 . 3 1 1 A 35 35 ASP C C 35 175.827 177.707 -1.880 1
1 330 . 3 1 1 A 35 35 ASP CA C 35 55.169 55.546 -0.377 1
1 331 . 3 1 1 A 35 35 ASP CB C 35 41.057 40.968 0.089 1
1 332 . 3 1 1 A 35 35 ASP N N 35 119.019 121.206 -2.187 1
1 333 . 3 1 1 A 36 36 ILE H H 36 7.388 7.884 -0.496 1
1 334 . 3 1 1 A 36 36 ILE HA H 36 3.495 3.630 -0.135 1
1 344 . 3 1 1 A 36 36 ILE C C 36 174.161 175.074 -0.913 1
1 345 . 3 1 1 A 36 36 ILE CA C 36 67.912 66.371 1.541 1
1 346 . 3 1 1 A 36 36 ILE CB C 36 35.457 35.758 -0.301 1
1 350 . 3 1 1 A 36 36 ILE N N 36 119.567 121.322 -1.755 1
1 351 . 3 1 1 A 37 37 PRO HA H 37 4.232 4.269 -0.037 1
1 358 . 3 1 1 A 37 37 PRO C C 37 179.572 178.804 0.768 1
1 359 . 3 1 1 A 37 37 PRO CA C 37 66.890 65.740 1.150 1
1 360 . 3 1 1 A 37 37 PRO CB C 37 30.704 30.455 0.249 1
1 363 . 3 1 1 A 38 38 GLN H H 38 7.837 8.055 -0.218 1
1 364 . 3 1 1 A 38 38 GLN HA H 38 4.143 4.051 0.092 1
1 371 . 3 1 1 A 38 38 GLN C C 38 178.918 178.345 0.573 1
1 372 . 3 1 1 A 38 38 GLN CA C 38 59.171 58.934 0.237 1
1 373 . 3 1 1 A 38 38 GLN CB C 38 27.986 28.328 -0.342 1
1 375 . 3 1 1 A 38 38 GLN N N 38 117.627 117.465 0.162 1
1 377 . 3 1 1 A 39 39 LEU H H 39 7.991 8.444 -0.453 1
1 378 . 3 1 1 A 39 39 LEU HA H 39 3.995 4.022 -0.027 1
1 388 . 3 1 1 A 39 39 LEU C C 39 180.831 178.661 2.170 1
1 389 . 3 1 1 A 39 39 LEU CA C 39 57.722 57.540 0.182 1
1 390 . 3 1 1 A 39 39 LEU CB C 39 42.314 41.496 0.818 1
1 394 . 3 1 1 A 39 39 LEU N N 39 121.128 119.765 1.363 1
1 395 . 3 1 1 A 40 40 SER H H 40 8.980 8.139 0.841 1
1 396 . 3 1 1 A 40 40 SER HA H 40 4.086 4.155 -0.069 1
1 399 . 3 1 1 A 40 40 SER C C 40 176.517 177.108 -0.591 1
1 400 . 3 1 1 A 40 40 SER CA C 40 60.859 61.487 -0.628 1
1 401 . 3 1 1 A 40 40 SER CB C 40 63.255 62.862 0.393 1
1 402 . 3 1 1 A 40 40 SER N N 40 117.510 113.806 3.704 1
1 403 . 3 1 1 A 41 41 GLN H H 41 8.074 7.684 0.390 1
1 404 . 3 1 1 A 41 41 GLN HA H 41 4.014 4.020 -0.006 1
1 411 . 3 1 1 A 41 41 GLN C C 41 178.637 178.259 0.378 1
1 412 . 3 1 1 A 41 41 GLN CA C 41 58.955 58.445 0.510 1
1 413 . 3 1 1 A 41 41 GLN CB C 41 28.421 28.436 -0.015 1
1 415 . 3 1 1 A 41 41 GLN N N 41 120.218 121.415 -1.197 1
1 417 . 3 1 1 A 42 42 ALA H H 42 8.149 7.725 0.424 1
1 418 . 3 1 1 A 42 42 ALA HA H 42 4.162 4.135 0.027 1
1 422 . 3 1 1 A 42 42 ALA C C 42 178.442 179.608 -1.166 1
1 423 . 3 1 1 A 42 42 ALA CA C 42 54.567 55.069 -0.502 1
1 424 . 3 1 1 A 42 42 ALA CB C 42 19.202 18.431 0.771 1
1 425 . 3 1 1 A 42 42 ALA N N 42 118.903 122.782 -3.879 1
1 426 . 3 1 1 A 43 43 SER H H 43 7.784 7.941 -0.157 1
1 427 . 3 1 1 A 43 43 SER HA H 43 4.851 4.656 0.195 1
1 430 . 3 1 1 A 43 43 SER C C 43 175.304 174.535 0.769 1
1 431 . 3 1 1 A 43 43 SER CA C 43 59.180 58.663 0.517 1
1 432 . 3 1 1 A 43 43 SER CB C 43 66.897 63.860 3.037 1
1 433 . 3 1 1 A 43 43 SER N N 43 109.522 110.695 -1.173 1
1 434 . 3 1 1 A 44 44 ARG H H 44 7.799 7.647 0.152 1
1 435 . 3 1 1 A 44 44 ARG HA H 44 3.872 3.850 0.022 1
1 441 . 3 1 1 A 44 44 ARG C C 44 175.312 174.649 0.663 1
1 442 . 3 1 1 A 44 44 ARG CA C 44 58.582 57.305 1.277 1
1 443 . 3 1 1 A 44 44 ARG CB C 44 26.661 26.989 -0.328 1
1 446 . 3 1 1 A 44 44 ARG N N 44 114.335 116.893 -2.558 1
1 447 . 3 1 1 A 45 45 LEU H H 45 7.759 7.485 0.274 1
1 448 . 3 1 1 A 45 45 LEU HA H 45 4.571 4.853 -0.282 1
1 458 . 3 1 1 A 45 45 LEU C C 45 177.069 176.695 0.374 1
1 459 . 3 1 1 A 45 45 LEU CA C 45 53.471 53.233 0.238 1
1 460 . 3 1 1 A 45 45 LEU CB C 45 43.845 43.903 -0.058 1
1 464 . 3 1 1 A 45 45 LEU N N 45 120.316 118.933 1.383 1
1 465 . 3 1 1 A 46 46 SER H H 46 9.062 8.771 0.291 1
1 466 . 3 1 1 A 46 46 SER HA H 46 4.446 4.853 -0.407 1
1 469 . 3 1 1 A 46 46 SER C C 46 174.731 176.193 -1.462 1
1 470 . 3 1 1 A 46 46 SER CA C 46 57.302 57.183 0.119 1
1 471 . 3 1 1 A 46 46 SER CB C 46 65.202 65.078 0.124 1
1 472 . 3 1 1 A 46 46 SER N N 46 117.855 113.984 3.871 1
1 473 . 3 1 1 A 47 47 THR H H 47 8.770 8.698 0.072 1
1 474 . 3 1 1 A 47 47 THR HA H 47 3.578 3.858 -0.280 1
1 479 . 3 1 1 A 47 47 THR C C 47 176.003 176.119 -0.116 1
1 480 . 3 1 1 A 47 47 THR CA C 47 67.477 65.853 1.624 1
1 481 . 3 1 1 A 47 47 THR CB C 47 68.317 68.789 -0.472 1
1 483 . 3 1 1 A 47 47 THR N N 47 115.428 117.470 -2.042 1
1 484 . 3 1 1 A 48 48 GLN H H 48 8.292 7.884 0.408 1
1 485 . 3 1 1 A 48 48 GLN HA H 48 3.890 3.987 -0.097 1
1 492 . 3 1 1 A 48 48 GLN C C 48 177.625 178.035 -0.410 1
1 493 . 3 1 1 A 48 48 GLN CA C 48 58.482 59.017 -0.535 1
1 494 . 3 1 1 A 48 48 GLN CB C 48 28.614 28.539 0.075 1
1 496 . 3 1 1 A 48 48 GLN N N 48 119.078 119.820 -0.742 1
1 498 . 3 1 1 A 49 49 GLN H H 49 7.765 8.310 -0.545 1
1 499 . 3 1 1 A 49 49 GLN HA H 49 4.153 3.978 0.175 1
1 506 . 3 1 1 A 49 49 GLN C C 49 180.153 178.889 1.264 1
1 507 . 3 1 1 A 49 49 GLN CA C 49 58.927 59.339 -0.412 1
1 508 . 3 1 1 A 49 49 GLN CB C 49 30.030 28.218 1.812 1
1 510 . 3 1 1 A 49 49 GLN N N 49 117.667 118.790 -1.123 1
1 512 . 3 1 1 A 50 50 VAL H H 50 8.465 7.658 0.807 1
1 513 . 3 1 1 A 50 50 VAL HA H 50 3.620 3.772 -0.152 1
1 521 . 3 1 1 A 50 50 VAL C C 50 177.691 178.239 -0.548 1
1 522 . 3 1 1 A 50 50 VAL CA C 50 67.588 66.527 1.061 1
1 523 . 3 1 1 A 50 50 VAL CB C 50 31.470 31.432 0.038 1
1 526 . 3 1 1 A 50 50 VAL N N 50 122.227 120.042 2.185 1
1 527 . 3 1 1 A 51 51 LEU H H 51 8.119 7.745 0.374 1
1 528 . 3 1 1 A 51 51 LEU HA H 51 3.975 3.909 0.066 1
1 538 . 3 1 1 A 51 51 LEU C C 51 179.950 179.208 0.742 1
1 539 . 3 1 1 A 51 51 LEU CA C 51 59.206 58.151 1.055 1
1 540 . 3 1 1 A 51 51 LEU CB C 51 41.515 41.140 0.375 1
1 544 . 3 1 1 A 51 51 LEU N N 51 120.724 120.220 0.504 1
1 545 . 3 1 1 A 52 52 ASP H H 52 8.780 8.337 0.443 1
1 546 . 3 1 1 A 52 52 ASP HA H 52 4.344 4.353 -0.009 1
1 549 . 3 1 1 A 52 52 ASP C C 52 178.654 178.454 0.200 1
1 550 . 3 1 1 A 52 52 ASP CA C 52 57.310 57.262 0.048 1
1 551 . 3 1 1 A 52 52 ASP CB C 52 40.418 40.847 -0.429 1
1 552 . 3 1 1 A 52 52 ASP N N 52 118.559 118.628 -0.069 1
1 553 . 3 1 1 A 53 53 TRP H H 53 8.180 8.319 -0.139 1
1 554 . 3 1 1 A 53 53 TRP HA H 53 3.905 4.330 -0.425 1
1 563 . 3 1 1 A 53 53 TRP C C 53 180.216 178.502 1.714 1
1 564 . 3 1 1 A 53 53 TRP CA C 53 62.801 61.036 1.765 1
1 565 . 3 1 1 A 53 53 TRP CB C 53 29.117 30.123 -1.006 1
1 571 . 3 1 1 A 53 53 TRP N N 53 123.121 121.772 1.349 1
1 573 . 3 1 1 A 54 54 PHE H H 54 8.371 8.390 -0.019 1
1 574 . 3 1 1 A 54 54 PHE HA H 54 3.786 4.011 -0.225 1
1 582 . 3 1 1 A 54 54 PHE C C 54 178.605 177.703 0.902 1
1 583 . 3 1 1 A 54 54 PHE CA C 54 63.242 61.635 1.607 1
1 584 . 3 1 1 A 54 54 PHE CB C 54 39.446 38.673 0.773 1
1 590 . 3 1 1 A 54 54 PHE N N 54 117.319 117.627 -0.308 1
1 591 . 3 1 1 A 55 55 ASP H H 55 8.609 8.230 0.379 1
1 592 . 3 1 1 A 55 55 ASP HA H 55 4.499 4.397 0.102 1
1 595 . 3 1 1 A 55 55 ASP C C 55 177.993 178.502 -0.509 1
1 596 . 3 1 1 A 55 55 ASP CA C 55 57.370 57.469 -0.099 1
1 597 . 3 1 1 A 55 55 ASP CB C 55 41.096 42.085 -0.989 1
1 598 . 3 1 1 A 55 55 ASP N N 55 120.805 119.556 1.249 1
1 599 . 3 1 1 A 56 56 SER H H 56 7.450 8.324 -0.874 1
1 600 . 3 1 1 A 56 56 SER HA H 56 4.236 4.081 0.155 1
1 603 . 3 1 1 A 56 56 SER C C 56 174.228 176.952 -2.724 1
1 604 . 3 1 1 A 56 56 SER CA C 56 59.538 61.114 -1.576 1
1 605 . 3 1 1 A 56 56 SER CB C 56 63.340 63.095 0.245 1
1 606 . 3 1 1 A 56 56 SER N N 56 111.640 113.999 -2.359 1
1 607 . 3 1 1 A 57 57 ARG H H 57 7.061 7.487 -0.426 1
1 608 . 3 1 1 A 57 57 ARG HA H 57 3.803 3.879 -0.076 1
1 615 . 3 1 1 A 57 57 ARG C C 57 175.909 176.399 -0.490 1
1 616 . 3 1 1 A 57 57 ARG CA C 57 55.254 58.552 -3.298 1
1 617 . 3 1 1 A 57 57 ARG CB C 57 30.216 29.300 0.916 1
1 620 . 3 1 1 A 57 57 ARG N N 57 120.670 119.046 1.624 1
1 621 . 3 1 1 A 58 58 LEU H H 58 7.519 7.329 0.190 1
1 622 . 3 1 1 A 58 58 LEU HA H 58 4.611 4.744 -0.133 1
1 632 . 3 1 1 A 58 58 LEU C C 58 174.867 175.706 -0.839 1
1 633 . 3 1 1 A 58 58 LEU CA C 58 53.322 53.219 0.103 1
1 634 . 3 1 1 A 58 58 LEU CB C 58 41.891 42.090 -0.199 1
1 638 . 3 1 1 A 58 58 LEU N N 58 122.146 117.773 4.373 1
1 639 . 3 1 1 A 59 59 PRO HA H 59 4.489 4.742 -0.253 1
1 645 . 3 1 1 A 59 59 PRO C C 59 176.849 175.643 1.206 1
1 646 . 3 1 1 A 59 59 PRO CA C 59 63.047 62.448 0.599 1
1 647 . 3 1 1 A 59 59 PRO CB C 59 32.066 30.265 1.801 1
1 650 . 3 1 1 A 60 60 GLN H H 60 8.496 8.116 0.380 1
1 651 . 3 1 1 A 60 60 GLN HA H 60 4.595 4.677 -0.082 1
1 658 . 3 1 1 A 60 60 GLN C C 60 174.178 174.313 -0.135 1
1 659 . 3 1 1 A 60 60 GLN CA C 60 53.464 53.383 0.081 1
1 660 . 3 1 1 A 60 60 GLN CB C 60 28.989 30.814 -1.825 1
1 662 . 3 1 1 A 60 60 GLN N N 60 121.828 122.532 -0.704 1
1 664 . 3 1 1 A 61 61 PRO HA H 61 4.397 4.733 -0.336 1
1 670 . 3 1 1 A 61 61 PRO C C 61 176.634 175.781 0.853 1
1 671 . 3 1 1 A 61 61 PRO CA C 61 63.150 62.654 0.496 1
1 672 . 3 1 1 A 61 61 PRO CB C 61 32.103 30.154 1.949 1
1 675 . 3 1 1 A 62 62 ALA H H 62 8.445 7.910 0.535 1
1 676 . 3 1 1 A 62 62 ALA HA H 62 4.280 4.733 -0.453 1
1 680 . 3 1 1 A 62 62 ALA C C 62 177.871 176.292 1.579 1
1 681 . 3 1 1 A 62 62 ALA CA C 62 52.522 50.827 1.695 1
1 682 . 3 1 1 A 62 62 ALA CB C 62 19.309 22.658 -3.349 1
1 683 . 3 1 1 A 62 62 ALA N N 62 124.460 124.690 -0.230 1
1 684 . 3 1 1 A 63 63 GLU H H 63 8.410 8.486 -0.076 1
1 685 . 3 1 1 A 63 63 GLU HA H 63 4.287 4.439 -0.152 1
1 689 . 3 1 1 A 63 63 GLU C C 63 176.521 176.130 0.391 1
1 690 . 3 1 1 A 63 63 GLU CA C 63 56.478 57.607 -1.129 1
1 691 . 3 1 1 A 63 63 GLU CB C 63 30.371 30.425 -0.054 1
1 693 . 3 1 1 A 63 63 GLU N N 63 120.216 118.935 1.281 1
1 694 . 3 1 1 A 64 64 VAL H H 64 8.221 8.552 -0.331 1
1 695 . 3 1 1 A 64 64 VAL HA H 64 4.177 4.349 -0.172 1
1 703 . 3 1 1 A 64 64 VAL C C 64 176.179 176.213 -0.034 1
1 704 . 3 1 1 A 64 64 VAL CA C 64 62.212 61.318 0.894 1
1 705 . 3 1 1 A 64 64 VAL CB C 64 32.875 34.547 -1.672 1
1 708 . 3 1 1 A 64 64 VAL N N 64 121.436 122.568 -1.132 1
1 709 . 3 1 1 A 65 65 SER H H 65 8.421 8.807 -0.386 1
1 710 . 3 1 1 A 65 65 SER HA H 65 4.500 4.178 0.322 1
1 713 . 3 1 1 A 65 65 SER C C 65 174.560 174.760 -0.200 1
1 714 . 3 1 1 A 65 65 SER CA C 65 58.411 60.983 -2.572 1
1 715 . 3 1 1 A 65 65 SER CB C 65 63.999 63.690 0.309 1
1 716 . 3 1 1 A 65 65 SER N N 65 119.752 123.600 -3.848 1
1 717 . 3 1 1 A 66 66 GLY H H 66 8.268 7.377 0.891 1
1 718 . 3 1 1 A 66 66 GLY HA2 H 66 4.065 4.080 -0.015 1
1 719 . 3 1 1 A 66 66 GLY HA3 H 66 4.191 4.081 0.110 1
1 720 . 3 1 1 A 66 66 GLY C C 66 171.744 174.019 -2.275 1
1 721 . 3 1 1 A 66 66 GLY CA C 66 44.679 45.026 -0.347 1
1 722 . 3 1 1 A 66 66 GLY N N 66 110.950 106.696 4.254 1
1 723 . 3 1 1 A 67 67 PRO HA H 67 4.481 4.430 0.051 1
1 728 . 3 1 1 A 67 67 PRO C C 67 177.427 176.531 0.896 1
1 729 . 3 1 1 A 67 67 PRO CA C 67 63.264 64.548 -1.284 1
1 730 . 3 1 1 A 67 67 PRO CB C 67 32.200 32.213 -0.013 1
1 733 . 3 1 1 A 68 68 SER H H 68 8.543 7.800 0.743 1
1 734 . 3 1 1 A 68 68 SER HA H 68 4.559 4.856 -0.297 1
1 737 . 3 1 1 A 68 68 SER C C 68 174.726 173.444 1.282 1
1 738 . 3 1 1 A 68 68 SER CA C 68 58.368 57.936 0.432 1
1 739 . 3 1 1 A 68 68 SER CB C 68 63.934 66.413 -2.479 1
1 740 . 3 1 1 A 68 68 SER N N 68 116.507 114.082 2.425 1
1 741 . 3 1 1 A 69 69 SER H H 69 8.349 8.864 -0.515 1
1 742 . 3 1 1 A 69 69 SER HA H 69 4.507 4.489 0.018 1
1 745 . 3 1 1 A 69 69 SER C C 69 173.960 175.090 -1.130 1
1 746 . 3 1 1 A 69 69 SER CA C 69 58.355 58.441 -0.086 1
1 747 . 3 1 1 A 69 69 SER CB C 69 63.993 63.742 0.251 1
1 748 . 3 1 1 A 69 69 SER N N 69 117.971 119.888 -1.917 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.533 5.313 -0.780 1
1 4 . 4 1 1 A 6 6 SER C C 6 174.513 173.031 1.482 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.407 57.108 1.299 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.873 65.732 -1.859 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.204 8.297 -0.093 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 4.085 4.147 -0.062 1
1 9 . 4 1 1 A 7 7 GLY C C 7 171.507 172.595 -1.088 1
1 10 . 4 1 1 A 7 7 GLY CA C 7 44.598 44.391 0.207 1
1 11 . 4 1 1 A 7 7 GLY N N 7 110.772 109.241 1.531 1
1 12 . 4 1 1 A 8 8 PRO HA H 8 4.421 4.636 -0.215 1
1 17 . 4 1 1 A 8 8 PRO C C 8 176.943 176.939 0.004 1
1 18 . 4 1 1 A 8 8 PRO CA C 8 62.917 62.403 0.514 1
1 19 . 4 1 1 A 8 8 PRO CB C 8 32.101 30.009 2.092 1
1 22 . 4 1 1 A 9 9 LEU H H 9 8.334 7.845 0.489 1
1 23 . 4 1 1 A 9 9 LEU HA H 9 4.584 4.297 0.287 1
1 33 . 4 1 1 A 9 9 LEU C C 9 175.412 174.963 0.449 1
1 34 . 4 1 1 A 9 9 LEU CA C 9 53.030 54.194 -1.164 1
1 35 . 4 1 1 A 9 9 LEU CB C 9 41.804 41.706 0.098 1
1 39 . 4 1 1 A 9 9 LEU N N 9 123.997 124.201 -0.204 1
1 40 . 4 1 1 A 10 10 PRO HA H 10 4.425 4.597 -0.172 1
1 46 . 4 1 1 A 10 10 PRO C C 10 176.530 176.687 -0.157 1
1 47 . 4 1 1 A 10 10 PRO CA C 10 62.801 62.113 0.688 1
1 48 . 4 1 1 A 10 10 PRO CB C 10 31.871 32.894 -1.023 1
1 51 . 4 1 1 A 11 11 ILE H H 11 8.216 8.337 -0.121 1
1 52 . 4 1 1 A 11 11 ILE HA H 11 4.429 4.330 0.099 1
1 62 . 4 1 1 A 11 11 ILE C C 11 174.437 175.070 -0.633 1
1 63 . 4 1 1 A 11 11 ILE CA C 11 58.548 59.714 -1.166 1
1 64 . 4 1 1 A 11 11 ILE CB C 11 38.746 38.010 0.736 1
1 68 . 4 1 1 A 11 11 ILE N N 11 123.082 118.900 4.182 1
1 72 . 4 1 1 A 16 16 PRO HA H 16 4.575 4.576 -0.001 1
1 78 . 4 1 1 A 16 16 PRO C C 16 175.885 175.053 0.832 1
1 79 . 4 1 1 A 16 16 PRO CA C 16 63.146 62.566 0.580 1
1 80 . 4 1 1 A 16 16 PRO CB C 16 32.894 32.361 0.533 1
1 83 . 4 1 1 A 17 17 ASP H H 17 8.822 8.441 0.381 1
1 84 . 4 1 1 A 17 17 ASP HA H 17 4.832 4.876 -0.044 1
1 87 . 4 1 1 A 17 17 ASP C C 17 174.878 176.019 -1.141 1
1 88 . 4 1 1 A 17 17 ASP CA C 17 52.473 53.534 -1.061 1
1 89 . 4 1 1 A 17 17 ASP CB C 17 42.755 41.423 1.332 1
1 90 . 4 1 1 A 17 17 ASP N N 17 121.885 120.953 0.932 1
1 91 . 4 1 1 A 18 18 ILE H H 18 8.259 8.533 -0.274 1
1 92 . 4 1 1 A 18 18 ILE HA H 18 3.889 3.879 0.010 1
1 102 . 4 1 1 A 18 18 ILE C C 18 178.346 177.179 1.167 1
1 103 . 4 1 1 A 18 18 ILE CA C 18 59.806 61.723 -1.917 1
1 104 . 4 1 1 A 18 18 ILE CB C 18 38.247 38.186 0.061 1
1 108 . 4 1 1 A 18 18 ILE N N 18 118.184 125.601 -7.417 1
1 109 . 4 1 1 A 19 19 GLN H H 19 8.404 8.080 0.324 1
1 110 . 4 1 1 A 19 19 GLN HA H 19 4.199 4.085 0.114 1
1 117 . 4 1 1 A 19 19 GLN C C 19 175.287 174.254 1.033 1
1 118 . 4 1 1 A 19 19 GLN CA C 19 60.889 60.802 0.087 1
1 119 . 4 1 1 A 19 19 GLN CB C 19 26.552 26.861 -0.309 1
1 121 . 4 1 1 A 19 19 GLN N N 19 123.230 122.110 1.120 1
1 123 . 4 1 1 A 20 20 PRO HA H 20 4.217 4.251 -0.034 1
1 130 . 4 1 1 A 20 20 PRO C C 20 179.677 179.577 0.100 1
1 131 . 4 1 1 A 20 20 PRO CA C 20 65.855 66.156 -0.301 1
1 132 . 4 1 1 A 20 20 PRO CB C 20 31.439 30.613 0.826 1
1 135 . 4 1 1 A 21 21 LEU H H 21 7.026 7.143 -0.117 1
1 136 . 4 1 1 A 21 21 LEU HA H 21 3.885 4.064 -0.179 1
1 146 . 4 1 1 A 21 21 LEU C C 21 177.599 178.437 -0.838 1
1 147 . 4 1 1 A 21 21 LEU CA C 21 58.435 57.259 1.176 1
1 148 . 4 1 1 A 21 21 LEU CB C 21 37.236 40.367 -3.131 1
1 152 . 4 1 1 A 21 21 LEU N N 21 116.369 116.968 -0.599 1
1 153 . 4 1 1 A 22 22 GLU H H 22 7.611 8.393 -0.782 1
1 154 . 4 1 1 A 22 22 GLU HA H 22 4.309 4.150 0.159 1
1 159 . 4 1 1 A 22 22 GLU C C 22 180.755 179.487 1.268 1
1 160 . 4 1 1 A 22 22 GLU CA C 22 59.887 59.934 -0.047 1
1 161 . 4 1 1 A 22 22 GLU CB C 22 29.715 29.421 0.294 1
1 163 . 4 1 1 A 22 22 GLU N N 22 119.345 118.796 0.549 1
1 164 . 4 1 1 A 23 23 ARG H H 23 8.662 8.216 0.446 1
1 165 . 4 1 1 A 23 23 ARG HA H 23 4.143 4.164 -0.021 1
1 172 . 4 1 1 A 23 23 ARG C C 23 179.115 178.918 0.197 1
1 173 . 4 1 1 A 23 23 ARG CA C 23 59.453 59.507 -0.054 1
1 174 . 4 1 1 A 23 23 ARG CB C 23 30.628 30.461 0.167 1
1 177 . 4 1 1 A 23 23 ARG N N 23 119.060 119.433 -0.373 1
1 178 . 4 1 1 A 24 24 TYR H H 24 7.798 7.940 -0.142 1
1 179 . 4 1 1 A 24 24 TYR HA H 24 4.349 4.478 -0.129 1
1 186 . 4 1 1 A 24 24 TYR C C 24 178.627 177.714 0.913 1
1 187 . 4 1 1 A 24 24 TYR CA C 24 61.883 61.768 0.115 1
1 188 . 4 1 1 A 24 24 TYR CB C 24 39.326 38.891 0.435 1
1 193 . 4 1 1 A 24 24 TYR N N 24 122.046 120.746 1.300 1
1 194 . 4 1 1 A 25 25 TRP H H 25 9.612 8.523 1.089 1
1 195 . 4 1 1 A 25 25 TRP HA H 25 4.680 4.626 0.054 1
1 204 . 4 1 1 A 25 25 TRP C C 25 178.218 178.474 -0.256 1
1 205 . 4 1 1 A 25 25 TRP CA C 25 60.775 61.532 -0.757 1
1 206 . 4 1 1 A 25 25 TRP CB C 25 29.956 29.948 0.008 1
1 212 . 4 1 1 A 25 25 TRP N N 25 121.351 121.977 -0.626 1
1 214 . 4 1 1 A 26 26 ALA H H 26 8.336 7.982 0.354 1
1 215 . 4 1 1 A 26 26 ALA HA H 26 3.911 3.969 -0.058 1
1 219 . 4 1 1 A 26 26 ALA C C 26 178.850 178.710 0.140 1
1 220 . 4 1 1 A 26 26 ALA CA C 26 54.720 53.307 1.413 1
1 221 . 4 1 1 A 26 26 ALA CB C 26 18.147 18.383 -0.236 1
1 222 . 4 1 1 A 26 26 ALA N N 26 118.991 121.220 -2.229 1
1 223 . 4 1 1 A 27 27 ALA H H 27 7.261 7.593 -0.332 1
1 224 . 4 1 1 A 27 27 ALA HA H 27 4.071 4.289 -0.218 1
1 228 . 4 1 1 A 27 27 ALA C C 27 178.433 179.146 -0.713 1
1 229 . 4 1 1 A 27 27 ALA CA C 27 53.440 54.243 -0.803 1
1 230 . 4 1 1 A 27 27 ALA CB C 27 18.789 19.795 -1.006 1
1 231 . 4 1 1 A 27 27 ALA N N 27 116.928 119.799 -2.871 1
1 232 . 4 1 1 A 28 28 HIS H H 28 7.810 8.173 -0.363 1
1 233 . 4 1 1 A 28 28 HIS HA H 28 4.574 4.419 0.155 1
1 238 . 4 1 1 A 28 28 HIS C C 28 175.351 174.354 0.997 1
1 239 . 4 1 1 A 28 28 HIS CA C 28 56.709 56.254 0.455 1
1 240 . 4 1 1 A 28 28 HIS CB C 28 31.928 30.571 1.357 1
1 243 . 4 1 1 A 28 28 HIS N N 28 113.337 112.300 1.037 1
1 244 . 4 1 1 A 29 29 GLN H H 29 8.811 7.585 1.226 1
1 245 . 4 1 1 A 29 29 GLN HA H 29 2.344 3.599 -1.255 1
1 251 . 4 1 1 A 29 29 GLN C C 29 173.677 174.202 -0.525 1
1 252 . 4 1 1 A 29 29 GLN CA C 29 57.111 56.667 0.444 1
1 253 . 4 1 1 A 29 29 GLN CB C 29 26.795 25.895 0.900 1
1 255 . 4 1 1 A 29 29 GLN N N 29 115.607 115.568 0.039 1
1 257 . 4 1 1 A 30 30 GLN H H 30 7.465 7.382 0.083 1
1 258 . 4 1 1 A 30 30 GLN HA H 30 4.607 4.759 -0.152 1
1 265 . 4 1 1 A 30 30 GLN C C 30 173.052 173.306 -0.254 1
1 266 . 4 1 1 A 30 30 GLN CA C 30 54.807 54.726 0.081 1
1 267 . 4 1 1 A 30 30 GLN CB C 30 30.766 31.666 -0.900 1
1 269 . 4 1 1 A 30 30 GLN N N 30 112.695 113.466 -0.771 1
1 271 . 4 1 1 A 31 31 LEU H H 31 8.805 8.763 0.042 1
1 272 . 4 1 1 A 31 31 LEU HA H 31 4.440 4.842 -0.402 1
1 282 . 4 1 1 A 31 31 LEU C C 31 176.017 175.619 0.398 1
1 283 . 4 1 1 A 31 31 LEU CA C 31 54.608 54.191 0.417 1
1 284 . 4 1 1 A 31 31 LEU CB C 31 42.819 44.060 -1.241 1
1 288 . 4 1 1 A 31 31 LEU N N 31 121.685 126.609 -4.924 1
1 289 . 4 1 1 A 32 32 ARG H H 32 7.422 8.450 -1.028 1
1 290 . 4 1 1 A 32 32 ARG HA H 32 4.574 4.811 -0.237 1
1 297 . 4 1 1 A 32 32 ARG C C 32 177.277 176.687 0.590 1
1 298 . 4 1 1 A 32 32 ARG CA C 32 55.071 54.386 0.685 1
1 299 . 4 1 1 A 32 32 ARG CB C 32 29.854 33.393 -3.539 1
1 302 . 4 1 1 A 32 32 ARG N N 32 126.338 124.797 1.541 1
1 303 . 4 1 1 A 33 33 GLU H H 33 9.164 9.153 0.011 1
1 304 . 4 1 1 A 33 33 GLU HA H 33 3.766 4.026 -0.260 1
1 309 . 4 1 1 A 33 33 GLU C C 33 178.939 178.621 0.318 1
1 310 . 4 1 1 A 33 33 GLU CA C 33 60.097 59.315 0.782 1
1 311 . 4 1 1 A 33 33 GLU CB C 33 29.340 29.315 0.025 1
1 313 . 4 1 1 A 33 33 GLU N N 33 126.822 120.729 6.093 1
1 314 . 4 1 1 A 34 34 THR H H 34 7.785 7.975 -0.190 1
1 315 . 4 1 1 A 34 34 THR HA H 34 4.055 4.000 0.055 1
1 320 . 4 1 1 A 34 34 THR C C 34 175.387 176.476 -1.089 1
1 321 . 4 1 1 A 34 34 THR CA C 34 63.631 65.054 -1.423 1
1 322 . 4 1 1 A 34 34 THR CB C 34 68.560 68.751 -0.191 1
1 324 . 4 1 1 A 34 34 THR N N 34 108.953 116.019 -7.066 1
1 325 . 4 1 1 A 35 35 ASP H H 35 7.841 7.608 0.233 1
1 326 . 4 1 1 A 35 35 ASP HA H 35 4.928 4.407 0.521 1
1 329 . 4 1 1 A 35 35 ASP C C 35 175.827 178.415 -2.588 1
1 330 . 4 1 1 A 35 35 ASP CA C 35 55.169 55.303 -0.134 1
1 331 . 4 1 1 A 35 35 ASP CB C 35 41.057 40.999 0.058 1
1 332 . 4 1 1 A 35 35 ASP N N 35 119.019 119.741 -0.722 1
1 333 . 4 1 1 A 36 36 ILE H H 36 7.388 7.829 -0.441 1
1 334 . 4 1 1 A 36 36 ILE HA H 36 3.495 3.734 -0.239 1
1 344 . 4 1 1 A 36 36 ILE C C 36 174.161 175.325 -1.164 1
1 345 . 4 1 1 A 36 36 ILE CA C 36 67.912 66.370 1.542 1
1 346 . 4 1 1 A 36 36 ILE CB C 36 35.457 35.672 -0.215 1
1 350 . 4 1 1 A 36 36 ILE N N 36 119.567 119.718 -0.151 1
1 351 . 4 1 1 A 37 37 PRO HA H 37 4.232 4.335 -0.103 1
1 358 . 4 1 1 A 37 37 PRO C C 37 179.572 178.774 0.798 1
1 359 . 4 1 1 A 37 37 PRO CA C 37 66.890 65.277 1.613 1
1 360 . 4 1 1 A 37 37 PRO CB C 37 30.704 30.934 -0.230 1
1 363 . 4 1 1 A 38 38 GLN H H 38 7.837 8.094 -0.257 1
1 364 . 4 1 1 A 38 38 GLN HA H 38 4.143 4.048 0.095 1
1 371 . 4 1 1 A 38 38 GLN C C 38 178.918 178.332 0.586 1
1 372 . 4 1 1 A 38 38 GLN CA C 38 59.171 58.880 0.291 1
1 373 . 4 1 1 A 38 38 GLN CB C 38 27.986 28.286 -0.300 1
1 375 . 4 1 1 A 38 38 GLN N N 38 117.627 117.648 -0.021 1
1 377 . 4 1 1 A 39 39 LEU H H 39 7.991 8.427 -0.436 1
1 378 . 4 1 1 A 39 39 LEU HA H 39 3.995 3.902 0.093 1
1 388 . 4 1 1 A 39 39 LEU C C 39 180.831 178.495 2.336 1
1 389 . 4 1 1 A 39 39 LEU CA C 39 57.722 57.617 0.105 1
1 390 . 4 1 1 A 39 39 LEU CB C 39 42.314 41.633 0.681 1
1 394 . 4 1 1 A 39 39 LEU N N 39 121.128 120.373 0.755 1
1 395 . 4 1 1 A 40 40 SER H H 40 8.980 8.048 0.932 1
1 396 . 4 1 1 A 40 40 SER HA H 40 4.086 3.976 0.110 1
1 399 . 4 1 1 A 40 40 SER C C 40 176.517 177.151 -0.634 1
1 400 . 4 1 1 A 40 40 SER CA C 40 60.859 61.587 -0.728 1
1 401 . 4 1 1 A 40 40 SER CB C 40 63.255 62.902 0.353 1
1 402 . 4 1 1 A 40 40 SER N N 40 117.510 113.564 3.946 1
1 403 . 4 1 1 A 41 41 GLN H H 41 8.074 7.735 0.339 1
1 404 . 4 1 1 A 41 41 GLN HA H 41 4.014 4.051 -0.037 1
1 411 . 4 1 1 A 41 41 GLN C C 41 178.637 178.299 0.338 1
1 412 . 4 1 1 A 41 41 GLN CA C 41 58.955 58.672 0.283 1
1 413 . 4 1 1 A 41 41 GLN CB C 41 28.421 28.160 0.261 1
1 415 . 4 1 1 A 41 41 GLN N N 41 120.218 121.331 -1.113 1
1 417 . 4 1 1 A 42 42 ALA H H 42 8.149 8.044 0.105 1
1 418 . 4 1 1 A 42 42 ALA HA H 42 4.162 4.225 -0.063 1
1 422 . 4 1 1 A 42 42 ALA C C 42 178.442 179.814 -1.372 1
1 423 . 4 1 1 A 42 42 ALA CA C 42 54.567 54.748 -0.181 1
1 424 . 4 1 1 A 42 42 ALA CB C 42 19.202 18.435 0.767 1
1 425 . 4 1 1 A 42 42 ALA N N 42 118.903 122.256 -3.353 1
1 426 . 4 1 1 A 43 43 SER H H 43 7.784 8.195 -0.411 1
1 427 . 4 1 1 A 43 43 SER HA H 43 4.851 4.796 0.055 1
1 430 . 4 1 1 A 43 43 SER C C 43 175.304 173.249 2.055 1
1 431 . 4 1 1 A 43 43 SER CA C 43 59.180 58.134 1.046 1
1 432 . 4 1 1 A 43 43 SER CB C 43 66.897 63.180 3.717 1
1 433 . 4 1 1 A 43 43 SER N N 43 109.522 112.268 -2.746 1
1 434 . 4 1 1 A 44 44 ARG H H 44 7.799 7.649 0.150 1
1 435 . 4 1 1 A 44 44 ARG HA H 44 3.872 3.844 0.028 1
1 441 . 4 1 1 A 44 44 ARG C C 44 175.312 174.474 0.838 1
1 442 . 4 1 1 A 44 44 ARG CA C 44 58.582 57.201 1.381 1
1 443 . 4 1 1 A 44 44 ARG CB C 44 26.661 27.021 -0.360 1
1 446 . 4 1 1 A 44 44 ARG N N 44 114.335 118.238 -3.903 1
1 447 . 4 1 1 A 45 45 LEU H H 45 7.759 7.452 0.307 1
1 448 . 4 1 1 A 45 45 LEU HA H 45 4.571 4.906 -0.335 1
1 458 . 4 1 1 A 45 45 LEU C C 45 177.069 175.678 1.391 1
1 459 . 4 1 1 A 45 45 LEU CA C 45 53.471 53.162 0.309 1
1 460 . 4 1 1 A 45 45 LEU CB C 45 43.845 45.062 -1.217 1
1 464 . 4 1 1 A 45 45 LEU N N 45 120.316 118.827 1.489 1
1 465 . 4 1 1 A 46 46 SER H H 46 9.062 8.778 0.284 1
1 466 . 4 1 1 A 46 46 SER HA H 46 4.446 4.526 -0.080 1
1 469 . 4 1 1 A 46 46 SER C C 46 174.731 175.832 -1.101 1
1 470 . 4 1 1 A 46 46 SER CA C 46 57.302 58.809 -1.507 1
1 471 . 4 1 1 A 46 46 SER CB C 46 65.202 63.766 1.436 1
1 472 . 4 1 1 A 46 46 SER N N 46 117.855 117.068 0.787 1
1 473 . 4 1 1 A 47 47 THR H H 47 8.770 8.715 0.055 1
1 474 . 4 1 1 A 47 47 THR HA H 47 3.578 3.851 -0.273 1
1 479 . 4 1 1 A 47 47 THR C C 47 176.003 176.325 -0.322 1
1 480 . 4 1 1 A 47 47 THR CA C 47 67.477 66.055 1.422 1
1 481 . 4 1 1 A 47 47 THR CB C 47 68.317 68.873 -0.556 1
1 483 . 4 1 1 A 47 47 THR N N 47 115.428 118.285 -2.857 1
1 484 . 4 1 1 A 48 48 GLN H H 48 8.292 7.934 0.358 1
1 485 . 4 1 1 A 48 48 GLN HA H 48 3.890 3.957 -0.067 1
1 492 . 4 1 1 A 48 48 GLN C C 48 177.625 177.767 -0.142 1
1 493 . 4 1 1 A 48 48 GLN CA C 48 58.482 59.152 -0.670 1
1 494 . 4 1 1 A 48 48 GLN CB C 48 28.614 28.597 0.017 1
1 496 . 4 1 1 A 48 48 GLN N N 48 119.078 120.172 -1.094 1
1 498 . 4 1 1 A 49 49 GLN H H 49 7.765 8.174 -0.409 1
1 499 . 4 1 1 A 49 49 GLN HA H 49 4.153 3.986 0.167 1
1 506 . 4 1 1 A 49 49 GLN C C 49 180.153 178.668 1.485 1
1 507 . 4 1 1 A 49 49 GLN CA C 49 58.927 59.310 -0.383 1
1 508 . 4 1 1 A 49 49 GLN CB C 49 30.030 28.315 1.715 1
1 510 . 4 1 1 A 49 49 GLN N N 49 117.667 118.176 -0.509 1
1 512 . 4 1 1 A 50 50 VAL H H 50 8.465 7.711 0.754 1
1 513 . 4 1 1 A 50 50 VAL HA H 50 3.620 3.683 -0.063 1
1 521 . 4 1 1 A 50 50 VAL C C 50 177.691 178.320 -0.629 1
1 522 . 4 1 1 A 50 50 VAL CA C 50 67.588 66.672 0.916 1
1 523 . 4 1 1 A 50 50 VAL CB C 50 31.470 31.437 0.033 1
1 526 . 4 1 1 A 50 50 VAL N N 50 122.227 120.135 2.092 1
1 527 . 4 1 1 A 51 51 LEU H H 51 8.119 7.806 0.313 1
1 528 . 4 1 1 A 51 51 LEU HA H 51 3.975 3.979 -0.004 1
1 538 . 4 1 1 A 51 51 LEU C C 51 179.950 179.120 0.830 1
1 539 . 4 1 1 A 51 51 LEU CA C 51 59.206 58.408 0.798 1
1 540 . 4 1 1 A 51 51 LEU CB C 51 41.515 41.729 -0.214 1
1 544 . 4 1 1 A 51 51 LEU N N 51 120.724 119.699 1.025 1
1 545 . 4 1 1 A 52 52 ASP H H 52 8.780 8.468 0.312 1
1 546 . 4 1 1 A 52 52 ASP HA H 52 4.344 4.337 0.007 1
1 549 . 4 1 1 A 52 52 ASP C C 52 178.654 178.401 0.253 1
1 550 . 4 1 1 A 52 52 ASP CA C 52 57.310 57.223 0.087 1
1 551 . 4 1 1 A 52 52 ASP CB C 52 40.418 40.922 -0.504 1
1 552 . 4 1 1 A 52 52 ASP N N 52 118.559 118.380 0.179 1
1 553 . 4 1 1 A 53 53 TRP H H 53 8.180 8.403 -0.223 1
1 554 . 4 1 1 A 53 53 TRP HA H 53 3.905 4.249 -0.344 1
1 563 . 4 1 1 A 53 53 TRP C C 53 180.216 177.994 2.222 1
1 564 . 4 1 1 A 53 53 TRP CA C 53 62.801 60.917 1.884 1
1 565 . 4 1 1 A 53 53 TRP CB C 53 29.117 30.241 -1.124 1
1 571 . 4 1 1 A 53 53 TRP N N 53 123.121 121.687 1.434 1
1 573 . 4 1 1 A 54 54 PHE H H 54 8.371 8.292 0.079 1
1 574 . 4 1 1 A 54 54 PHE HA H 54 3.786 4.133 -0.347 1
1 582 . 4 1 1 A 54 54 PHE C C 54 178.605 177.864 0.741 1
1 583 . 4 1 1 A 54 54 PHE CA C 54 63.242 62.187 1.055 1
1 584 . 4 1 1 A 54 54 PHE CB C 54 39.446 38.575 0.871 1
1 590 . 4 1 1 A 54 54 PHE N N 54 117.319 117.178 0.141 1
1 591 . 4 1 1 A 55 55 ASP H H 55 8.609 8.269 0.340 1
1 592 . 4 1 1 A 55 55 ASP HA H 55 4.499 4.369 0.130 1
1 595 . 4 1 1 A 55 55 ASP C C 55 177.993 178.366 -0.373 1
1 596 . 4 1 1 A 55 55 ASP CA C 55 57.370 57.287 0.083 1
1 597 . 4 1 1 A 55 55 ASP CB C 55 41.096 40.565 0.531 1
1 598 . 4 1 1 A 55 55 ASP N N 55 120.805 118.841 1.964 1
1 599 . 4 1 1 A 56 56 SER H H 56 7.450 8.137 -0.687 1
1 600 . 4 1 1 A 56 56 SER HA H 56 4.236 4.047 0.189 1
1 603 . 4 1 1 A 56 56 SER C C 56 174.228 177.029 -2.801 1
1 604 . 4 1 1 A 56 56 SER CA C 56 59.538 61.167 -1.629 1
1 605 . 4 1 1 A 56 56 SER CB C 56 63.340 62.883 0.457 1
1 606 . 4 1 1 A 56 56 SER N N 56 111.640 114.448 -2.808 1
1 607 . 4 1 1 A 57 57 ARG H H 57 7.061 7.172 -0.111 1
1 608 . 4 1 1 A 57 57 ARG HA H 57 3.803 3.997 -0.194 1
1 615 . 4 1 1 A 57 57 ARG C C 57 175.909 176.473 -0.564 1
1 616 . 4 1 1 A 57 57 ARG CA C 57 55.254 58.598 -3.344 1
1 617 . 4 1 1 A 57 57 ARG CB C 57 30.216 29.179 1.037 1
1 620 . 4 1 1 A 57 57 ARG N N 57 120.670 119.170 1.500 1
1 621 . 4 1 1 A 58 58 LEU H H 58 7.519 7.513 0.006 1
1 622 . 4 1 1 A 58 58 LEU HA H 58 4.611 4.710 -0.099 1
1 632 . 4 1 1 A 58 58 LEU C C 58 174.867 175.961 -1.094 1
1 633 . 4 1 1 A 58 58 LEU CA C 58 53.322 53.026 0.296 1
1 634 . 4 1 1 A 58 58 LEU CB C 58 41.891 42.257 -0.366 1
1 638 . 4 1 1 A 58 58 LEU N N 58 122.146 117.710 4.436 1
1 639 . 4 1 1 A 59 59 PRO HA H 59 4.489 4.652 -0.163 1
1 645 . 4 1 1 A 59 59 PRO C C 59 176.849 175.205 1.644 1
1 646 . 4 1 1 A 59 59 PRO CA C 59 63.047 62.315 0.732 1
1 647 . 4 1 1 A 59 59 PRO CB C 59 32.066 33.026 -0.960 1
1 650 . 4 1 1 A 60 60 GLN H H 60 8.496 8.343 0.153 1
1 651 . 4 1 1 A 60 60 GLN HA H 60 4.595 4.757 -0.162 1
1 658 . 4 1 1 A 60 60 GLN C C 60 174.178 173.438 0.740 1
1 659 . 4 1 1 A 60 60 GLN CA C 60 53.464 52.071 1.393 1
1 660 . 4 1 1 A 60 60 GLN CB C 60 28.989 31.383 -2.394 1
1 662 . 4 1 1 A 60 60 GLN N N 60 121.828 118.541 3.287 1
1 664 . 4 1 1 A 61 61 PRO HA H 61 4.397 4.768 -0.371 1
1 670 . 4 1 1 A 61 61 PRO C C 61 176.634 175.609 1.025 1
1 671 . 4 1 1 A 61 61 PRO CA C 61 63.150 62.881 0.269 1
1 672 . 4 1 1 A 61 61 PRO CB C 61 32.103 33.403 -1.300 1
1 675 . 4 1 1 A 62 62 ALA H H 62 8.445 8.331 0.114 1
1 676 . 4 1 1 A 62 62 ALA HA H 62 4.280 4.756 -0.476 1
1 680 . 4 1 1 A 62 62 ALA C C 62 177.871 175.837 2.034 1
1 681 . 4 1 1 A 62 62 ALA CA C 62 52.522 50.933 1.589 1
1 682 . 4 1 1 A 62 62 ALA CB C 62 19.309 23.728 -4.419 1
1 683 . 4 1 1 A 62 62 ALA N N 62 124.460 120.998 3.462 1
1 684 . 4 1 1 A 63 63 GLU H H 63 8.410 8.550 -0.140 1
1 685 . 4 1 1 A 63 63 GLU HA H 63 4.287 4.655 -0.368 1
1 689 . 4 1 1 A 63 63 GLU C C 63 176.521 176.472 0.049 1
1 690 . 4 1 1 A 63 63 GLU CA C 63 56.478 55.521 0.957 1
1 691 . 4 1 1 A 63 63 GLU CB C 63 30.371 29.197 1.174 1
1 693 . 4 1 1 A 63 63 GLU N N 63 120.216 118.892 1.324 1
1 694 . 4 1 1 A 64 64 VAL H H 64 8.221 7.333 0.888 1
1 695 . 4 1 1 A 64 64 VAL HA H 64 4.177 4.670 -0.493 1
1 703 . 4 1 1 A 64 64 VAL C C 64 176.179 175.740 0.439 1
1 704 . 4 1 1 A 64 64 VAL CA C 64 62.212 60.539 1.673 1
1 705 . 4 1 1 A 64 64 VAL CB C 64 32.875 33.796 -0.921 1
1 708 . 4 1 1 A 64 64 VAL N N 64 121.436 117.522 3.914 1
1 709 . 4 1 1 A 65 65 SER H H 65 8.421 8.431 -0.010 1
1 710 . 4 1 1 A 65 65 SER HA H 65 4.500 4.339 0.161 1
1 713 . 4 1 1 A 65 65 SER C C 65 174.560 175.387 -0.827 1
1 714 . 4 1 1 A 65 65 SER CA C 65 58.411 60.263 -1.852 1
1 715 . 4 1 1 A 65 65 SER CB C 65 63.999 63.620 0.379 1
1 716 . 4 1 1 A 65 65 SER N N 65 119.752 120.366 -0.614 1
1 717 . 4 1 1 A 66 66 GLY H H 66 8.268 8.655 -0.387 1
1 718 . 4 1 1 A 66 66 GLY HA2 H 66 4.065 4.010 0.055 1
1 719 . 4 1 1 A 66 66 GLY HA3 H 66 4.191 4.010 0.181 1
1 720 . 4 1 1 A 66 66 GLY C C 66 171.744 173.333 -1.589 1
1 721 . 4 1 1 A 66 66 GLY CA C 66 44.679 45.240 -0.561 1
1 722 . 4 1 1 A 66 66 GLY N N 66 110.950 112.576 -1.626 1
1 723 . 4 1 1 A 67 67 PRO HA H 67 4.481 4.569 -0.088 1
1 728 . 4 1 1 A 67 67 PRO C C 67 177.427 175.863 1.564 1
1 729 . 4 1 1 A 67 67 PRO CA C 67 63.264 62.480 0.784 1
1 730 . 4 1 1 A 67 67 PRO CB C 67 32.200 33.174 -0.974 1
1 733 . 4 1 1 A 68 68 SER H H 68 8.543 8.483 0.060 1
1 734 . 4 1 1 A 68 68 SER HA H 68 4.559 4.677 -0.118 1
1 737 . 4 1 1 A 68 68 SER C C 68 174.726 173.964 0.762 1
1 738 . 4 1 1 A 68 68 SER CA C 68 58.368 57.946 0.422 1
1 739 . 4 1 1 A 68 68 SER CB C 68 63.934 61.407 2.527 1
1 740 . 4 1 1 A 68 68 SER N N 68 116.507 117.970 -1.463 1
1 741 . 4 1 1 A 69 69 SER H H 69 8.349 8.298 0.051 1
1 742 . 4 1 1 A 69 69 SER HA H 69 4.507 4.790 -0.283 1
1 745 . 4 1 1 A 69 69 SER C C 69 173.960 174.632 -0.672 1
1 746 . 4 1 1 A 69 69 SER CA C 69 58.355 57.903 0.452 1
1 747 . 4 1 1 A 69 69 SER CB C 69 63.993 63.435 0.558 1
1 748 . 4 1 1 A 69 69 SER N N 69 117.971 119.112 -1.141 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.533 4.754 -0.221 1
1 4 . 5 1 1 A 6 6 SER C C 6 174.513 174.371 0.142 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.407 58.106 0.301 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.873 64.007 -0.134 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.204 8.614 -0.410 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 4.085 4.184 -0.099 1
1 9 . 5 1 1 A 7 7 GLY C C 7 171.507 172.903 -1.396 1
1 10 . 5 1 1 A 7 7 GLY CA C 7 44.598 44.146 0.452 1
1 11 . 5 1 1 A 7 7 GLY N N 7 110.772 113.891 -3.119 1
1 12 . 5 1 1 A 8 8 PRO HA H 8 4.421 4.482 -0.061 1
1 17 . 5 1 1 A 8 8 PRO C C 8 176.943 177.188 -0.245 1
1 18 . 5 1 1 A 8 8 PRO CA C 8 62.917 63.051 -0.134 1
1 19 . 5 1 1 A 8 8 PRO CB C 8 32.101 32.004 0.097 1
1 22 . 5 1 1 A 9 9 LEU H H 9 8.334 8.215 0.119 1
1 23 . 5 1 1 A 9 9 LEU HA H 9 4.584 4.403 0.181 1
1 33 . 5 1 1 A 9 9 LEU C C 9 175.412 176.483 -1.071 1
1 34 . 5 1 1 A 9 9 LEU CA C 9 53.030 53.630 -0.600 1
1 35 . 5 1 1 A 9 9 LEU CB C 9 41.804 42.028 -0.224 1
1 39 . 5 1 1 A 9 9 LEU N N 9 123.997 120.231 3.766 1
1 40 . 5 1 1 A 10 10 PRO HA H 10 4.425 4.600 -0.175 1
1 46 . 5 1 1 A 10 10 PRO C C 10 176.530 176.633 -0.103 1
1 47 . 5 1 1 A 10 10 PRO CA C 10 62.801 62.100 0.701 1
1 48 . 5 1 1 A 10 10 PRO CB C 10 31.871 32.901 -1.030 1
1 51 . 5 1 1 A 11 11 ILE H H 11 8.216 8.336 -0.120 1
1 52 . 5 1 1 A 11 11 ILE HA H 11 4.429 4.332 0.097 1
1 62 . 5 1 1 A 11 11 ILE C C 11 174.437 174.920 -0.483 1
1 63 . 5 1 1 A 11 11 ILE CA C 11 58.548 59.701 -1.153 1
1 64 . 5 1 1 A 11 11 ILE CB C 11 38.746 37.994 0.752 1
1 68 . 5 1 1 A 11 11 ILE N N 11 123.082 118.932 4.150 1
1 72 . 5 1 1 A 16 16 PRO HA H 16 4.575 4.569 0.006 1
1 78 . 5 1 1 A 16 16 PRO C C 16 175.885 175.586 0.299 1
1 79 . 5 1 1 A 16 16 PRO CA C 16 63.146 62.479 0.667 1
1 80 . 5 1 1 A 16 16 PRO CB C 16 32.894 33.037 -0.143 1
1 83 . 5 1 1 A 17 17 ASP H H 17 8.822 8.333 0.489 1
1 84 . 5 1 1 A 17 17 ASP HA H 17 4.832 5.439 -0.607 1
1 87 . 5 1 1 A 17 17 ASP C C 17 174.878 176.229 -1.351 1
1 88 . 5 1 1 A 17 17 ASP CA C 17 52.473 52.232 0.241 1
1 89 . 5 1 1 A 17 17 ASP CB C 17 42.755 42.743 0.012 1
1 90 . 5 1 1 A 17 17 ASP N N 17 121.885 118.496 3.389 1
1 91 . 5 1 1 A 18 18 ILE H H 18 8.259 8.580 -0.321 1
1 92 . 5 1 1 A 18 18 ILE HA H 18 3.889 3.928 -0.039 1
1 102 . 5 1 1 A 18 18 ILE C C 18 178.346 176.947 1.399 1
1 103 . 5 1 1 A 18 18 ILE CA C 18 59.806 61.469 -1.663 1
1 104 . 5 1 1 A 18 18 ILE CB C 18 38.247 38.285 -0.038 1
1 108 . 5 1 1 A 18 18 ILE N N 18 118.184 123.715 -5.531 1
1 109 . 5 1 1 A 19 19 GLN H H 19 8.404 8.027 0.377 1
1 110 . 5 1 1 A 19 19 GLN HA H 19 4.199 4.092 0.107 1
1 117 . 5 1 1 A 19 19 GLN C C 19 175.287 174.230 1.057 1
1 118 . 5 1 1 A 19 19 GLN CA C 19 60.889 60.787 0.102 1
1 119 . 5 1 1 A 19 19 GLN CB C 19 26.552 26.767 -0.215 1
1 121 . 5 1 1 A 19 19 GLN N N 19 123.230 122.176 1.054 1
1 123 . 5 1 1 A 20 20 PRO HA H 20 4.217 4.219 -0.002 1
1 130 . 5 1 1 A 20 20 PRO C C 20 179.677 179.638 0.039 1
1 131 . 5 1 1 A 20 20 PRO CA C 20 65.855 66.395 -0.540 1
1 132 . 5 1 1 A 20 20 PRO CB C 20 31.439 30.564 0.875 1
1 135 . 5 1 1 A 21 21 LEU H H 21 7.026 7.101 -0.075 1
1 136 . 5 1 1 A 21 21 LEU HA H 21 3.885 3.977 -0.092 1
1 146 . 5 1 1 A 21 21 LEU C C 21 177.599 178.452 -0.853 1
1 147 . 5 1 1 A 21 21 LEU CA C 21 58.435 57.218 1.217 1
1 148 . 5 1 1 A 21 21 LEU CB C 21 37.236 40.556 -3.320 1
1 152 . 5 1 1 A 21 21 LEU N N 21 116.369 116.869 -0.500 1
1 153 . 5 1 1 A 22 22 GLU H H 22 7.611 8.386 -0.775 1
1 154 . 5 1 1 A 22 22 GLU HA H 22 4.309 4.108 0.201 1
1 159 . 5 1 1 A 22 22 GLU C C 22 180.755 179.365 1.390 1
1 160 . 5 1 1 A 22 22 GLU CA C 22 59.887 59.913 -0.026 1
1 161 . 5 1 1 A 22 22 GLU CB C 22 29.715 29.384 0.331 1
1 163 . 5 1 1 A 22 22 GLU N N 22 119.345 119.232 0.113 1
1 164 . 5 1 1 A 23 23 ARG H H 23 8.662 8.253 0.409 1
1 165 . 5 1 1 A 23 23 ARG HA H 23 4.143 4.112 0.031 1
1 172 . 5 1 1 A 23 23 ARG C C 23 179.115 178.695 0.420 1
1 173 . 5 1 1 A 23 23 ARG CA C 23 59.453 59.213 0.240 1
1 174 . 5 1 1 A 23 23 ARG CB C 23 30.628 30.492 0.136 1
1 177 . 5 1 1 A 23 23 ARG N N 23 119.060 118.946 0.114 1
1 178 . 5 1 1 A 24 24 TYR H H 24 7.798 7.997 -0.199 1
1 179 . 5 1 1 A 24 24 TYR HA H 24 4.349 4.224 0.125 1
1 186 . 5 1 1 A 24 24 TYR C C 24 178.627 177.514 1.113 1
1 187 . 5 1 1 A 24 24 TYR CA C 24 61.883 61.503 0.380 1
1 188 . 5 1 1 A 24 24 TYR CB C 24 39.326 38.487 0.839 1
1 193 . 5 1 1 A 24 24 TYR N N 24 122.046 120.633 1.413 1
1 194 . 5 1 1 A 25 25 TRP H H 25 9.612 8.627 0.985 1
1 195 . 5 1 1 A 25 25 TRP HA H 25 4.680 4.459 0.221 1
1 204 . 5 1 1 A 25 25 TRP C C 25 178.218 178.419 -0.201 1
1 205 . 5 1 1 A 25 25 TRP CA C 25 60.775 61.332 -0.557 1
1 206 . 5 1 1 A 25 25 TRP CB C 25 29.956 29.544 0.412 1
1 212 . 5 1 1 A 25 25 TRP N N 25 121.351 121.946 -0.595 1
1 214 . 5 1 1 A 26 26 ALA H H 26 8.336 7.916 0.420 1
1 215 . 5 1 1 A 26 26 ALA HA H 26 3.911 3.968 -0.057 1
1 219 . 5 1 1 A 26 26 ALA C C 26 178.850 178.884 -0.034 1
1 220 . 5 1 1 A 26 26 ALA CA C 26 54.720 53.374 1.346 1
1 221 . 5 1 1 A 26 26 ALA CB C 26 18.147 18.481 -0.334 1
1 222 . 5 1 1 A 26 26 ALA N N 26 118.991 121.217 -2.226 1
1 223 . 5 1 1 A 27 27 ALA H H 27 7.261 7.504 -0.243 1
1 224 . 5 1 1 A 27 27 ALA HA H 27 4.071 4.211 -0.140 1
1 228 . 5 1 1 A 27 27 ALA C C 27 178.433 179.472 -1.039 1
1 229 . 5 1 1 A 27 27 ALA CA C 27 53.440 54.750 -1.310 1
1 230 . 5 1 1 A 27 27 ALA CB C 27 18.789 19.123 -0.334 1
1 231 . 5 1 1 A 27 27 ALA N N 27 116.928 120.379 -3.451 1
1 232 . 5 1 1 A 28 28 HIS H H 28 7.810 7.883 -0.073 1
1 233 . 5 1 1 A 28 28 HIS HA H 28 4.574 4.510 0.064 1
1 238 . 5 1 1 A 28 28 HIS C C 28 175.351 174.565 0.786 1
1 239 . 5 1 1 A 28 28 HIS CA C 28 56.709 56.375 0.334 1
1 240 . 5 1 1 A 28 28 HIS CB C 28 31.928 30.807 1.121 1
1 243 . 5 1 1 A 28 28 HIS N N 28 113.337 111.517 1.820 1
1 244 . 5 1 1 A 29 29 GLN H H 29 8.811 7.562 1.249 1
1 245 . 5 1 1 A 29 29 GLN HA H 29 2.344 3.470 -1.126 1
1 251 . 5 1 1 A 29 29 GLN C C 29 173.677 174.185 -0.508 1
1 252 . 5 1 1 A 29 29 GLN CA C 29 57.111 56.651 0.460 1
1 253 . 5 1 1 A 29 29 GLN CB C 29 26.795 25.769 1.026 1
1 255 . 5 1 1 A 29 29 GLN N N 29 115.607 115.971 -0.364 1
1 257 . 5 1 1 A 30 30 GLN H H 30 7.465 7.490 -0.025 1
1 258 . 5 1 1 A 30 30 GLN HA H 30 4.607 4.837 -0.230 1
1 265 . 5 1 1 A 30 30 GLN C C 30 173.052 173.649 -0.597 1
1 266 . 5 1 1 A 30 30 GLN CA C 30 54.807 54.794 0.013 1
1 267 . 5 1 1 A 30 30 GLN CB C 30 30.766 31.674 -0.908 1
1 269 . 5 1 1 A 30 30 GLN N N 30 112.695 113.918 -1.223 1
1 271 . 5 1 1 A 31 31 LEU H H 31 8.805 8.790 0.015 1
1 272 . 5 1 1 A 31 31 LEU HA H 31 4.440 4.592 -0.152 1
1 282 . 5 1 1 A 31 31 LEU C C 31 176.017 175.118 0.899 1
1 283 . 5 1 1 A 31 31 LEU CA C 31 54.608 54.894 -0.286 1
1 284 . 5 1 1 A 31 31 LEU CB C 31 42.819 42.970 -0.151 1
1 288 . 5 1 1 A 31 31 LEU N N 31 121.685 126.934 -5.249 1
1 289 . 5 1 1 A 32 32 ARG H H 32 7.422 8.688 -1.266 1
1 290 . 5 1 1 A 32 32 ARG HA H 32 4.574 4.689 -0.115 1
1 297 . 5 1 1 A 32 32 ARG C C 32 177.277 176.700 0.577 1
1 298 . 5 1 1 A 32 32 ARG CA C 32 55.071 53.990 1.081 1
1 299 . 5 1 1 A 32 32 ARG CB C 32 29.854 33.100 -3.246 1
1 302 . 5 1 1 A 32 32 ARG N N 32 126.338 125.805 0.533 1
1 303 . 5 1 1 A 33 33 GLU H H 33 9.164 9.059 0.105 1
1 304 . 5 1 1 A 33 33 GLU HA H 33 3.766 3.991 -0.225 1
1 309 . 5 1 1 A 33 33 GLU C C 33 178.939 178.237 0.702 1
1 310 . 5 1 1 A 33 33 GLU CA C 33 60.097 59.438 0.659 1
1 311 . 5 1 1 A 33 33 GLU CB C 33 29.340 29.240 0.100 1
1 313 . 5 1 1 A 33 33 GLU N N 33 126.822 123.257 3.565 1
1 314 . 5 1 1 A 34 34 THR H H 34 7.785 8.128 -0.343 1
1 315 . 5 1 1 A 34 34 THR HA H 34 4.055 4.073 -0.018 1
1 320 . 5 1 1 A 34 34 THR C C 34 175.387 176.159 -0.772 1
1 321 . 5 1 1 A 34 34 THR CA C 34 63.631 65.188 -1.557 1
1 322 . 5 1 1 A 34 34 THR CB C 34 68.560 68.418 0.142 1
1 324 . 5 1 1 A 34 34 THR N N 34 108.953 113.863 -4.910 1
1 325 . 5 1 1 A 35 35 ASP H H 35 7.841 8.108 -0.267 1
1 326 . 5 1 1 A 35 35 ASP HA H 35 4.928 4.469 0.459 1
1 329 . 5 1 1 A 35 35 ASP C C 35 175.827 177.686 -1.859 1
1 330 . 5 1 1 A 35 35 ASP CA C 35 55.169 55.622 -0.453 1
1 331 . 5 1 1 A 35 35 ASP CB C 35 41.057 40.896 0.161 1
1 332 . 5 1 1 A 35 35 ASP N N 35 119.019 121.920 -2.901 1
1 333 . 5 1 1 A 36 36 ILE H H 36 7.388 7.946 -0.558 1
1 334 . 5 1 1 A 36 36 ILE HA H 36 3.495 3.675 -0.180 1
1 344 . 5 1 1 A 36 36 ILE C C 36 174.161 175.096 -0.935 1
1 345 . 5 1 1 A 36 36 ILE CA C 36 67.912 66.417 1.495 1
1 346 . 5 1 1 A 36 36 ILE CB C 36 35.457 35.819 -0.362 1
1 350 . 5 1 1 A 36 36 ILE N N 36 119.567 121.502 -1.935 1
1 351 . 5 1 1 A 37 37 PRO HA H 37 4.232 4.281 -0.049 1
1 358 . 5 1 1 A 37 37 PRO C C 37 179.572 178.800 0.772 1
1 359 . 5 1 1 A 37 37 PRO CA C 37 66.890 65.751 1.139 1
1 360 . 5 1 1 A 37 37 PRO CB C 37 30.704 30.463 0.241 1
1 363 . 5 1 1 A 38 38 GLN H H 38 7.837 8.080 -0.243 1
1 364 . 5 1 1 A 38 38 GLN HA H 38 4.143 4.047 0.096 1
1 371 . 5 1 1 A 38 38 GLN C C 38 178.918 178.349 0.569 1
1 372 . 5 1 1 A 38 38 GLN CA C 38 59.171 58.873 0.298 1
1 373 . 5 1 1 A 38 38 GLN CB C 38 27.986 28.227 -0.241 1
1 375 . 5 1 1 A 38 38 GLN N N 38 117.627 117.453 0.174 1
1 377 . 5 1 1 A 39 39 LEU H H 39 7.991 8.401 -0.410 1
1 378 . 5 1 1 A 39 39 LEU HA H 39 3.995 3.987 0.008 1
1 388 . 5 1 1 A 39 39 LEU C C 39 180.831 178.682 2.149 1
1 389 . 5 1 1 A 39 39 LEU CA C 39 57.722 57.525 0.197 1
1 390 . 5 1 1 A 39 39 LEU CB C 39 42.314 41.558 0.756 1
1 394 . 5 1 1 A 39 39 LEU N N 39 121.128 119.819 1.309 1
1 395 . 5 1 1 A 40 40 SER H H 40 8.980 8.188 0.792 1
1 396 . 5 1 1 A 40 40 SER HA H 40 4.086 4.032 0.054 1
1 399 . 5 1 1 A 40 40 SER C C 40 176.517 177.012 -0.495 1
1 400 . 5 1 1 A 40 40 SER CA C 40 60.859 61.456 -0.597 1
1 401 . 5 1 1 A 40 40 SER CB C 40 63.255 62.967 0.288 1
1 402 . 5 1 1 A 40 40 SER N N 40 117.510 113.814 3.696 1
1 403 . 5 1 1 A 41 41 GLN H H 41 8.074 7.710 0.364 1
1 404 . 5 1 1 A 41 41 GLN HA H 41 4.014 4.055 -0.041 1
1 411 . 5 1 1 A 41 41 GLN C C 41 178.637 178.318 0.319 1
1 412 . 5 1 1 A 41 41 GLN CA C 41 58.955 58.335 0.620 1
1 413 . 5 1 1 A 41 41 GLN CB C 41 28.421 28.400 0.021 1
1 415 . 5 1 1 A 41 41 GLN N N 41 120.218 121.597 -1.379 1
1 417 . 5 1 1 A 42 42 ALA H H 42 8.149 7.784 0.365 1
1 418 . 5 1 1 A 42 42 ALA HA H 42 4.162 4.092 0.070 1
1 422 . 5 1 1 A 42 42 ALA C C 42 178.442 180.017 -1.575 1
1 423 . 5 1 1 A 42 42 ALA CA C 42 54.567 55.052 -0.485 1
1 424 . 5 1 1 A 42 42 ALA CB C 42 19.202 18.380 0.822 1
1 425 . 5 1 1 A 42 42 ALA N N 42 118.903 122.766 -3.863 1
1 426 . 5 1 1 A 43 43 SER H H 43 7.784 7.650 0.134 1
1 427 . 5 1 1 A 43 43 SER HA H 43 4.851 4.611 0.240 1
1 430 . 5 1 1 A 43 43 SER C C 43 175.304 173.777 1.527 1
1 431 . 5 1 1 A 43 43 SER CA C 43 59.180 58.367 0.813 1
1 432 . 5 1 1 A 43 43 SER CB C 43 66.897 63.403 3.494 1
1 433 . 5 1 1 A 43 43 SER N N 43 109.522 111.910 -2.388 1
1 434 . 5 1 1 A 44 44 ARG H H 44 7.799 7.828 -0.029 1
1 435 . 5 1 1 A 44 44 ARG HA H 44 3.872 3.838 0.034 1
1 441 . 5 1 1 A 44 44 ARG C C 44 175.312 174.571 0.741 1
1 442 . 5 1 1 A 44 44 ARG CA C 44 58.582 57.096 1.486 1
1 443 . 5 1 1 A 44 44 ARG CB C 44 26.661 26.965 -0.304 1
1 446 . 5 1 1 A 44 44 ARG N N 44 114.335 117.405 -3.070 1
1 447 . 5 1 1 A 45 45 LEU H H 45 7.759 7.730 0.029 1
1 448 . 5 1 1 A 45 45 LEU HA H 45 4.571 4.916 -0.345 1
1 458 . 5 1 1 A 45 45 LEU C C 45 177.069 175.695 1.374 1
1 459 . 5 1 1 A 45 45 LEU CA C 45 53.471 53.157 0.314 1
1 460 . 5 1 1 A 45 45 LEU CB C 45 43.845 44.332 -0.487 1
1 464 . 5 1 1 A 45 45 LEU N N 45 120.316 118.860 1.456 1
1 465 . 5 1 1 A 46 46 SER H H 46 9.062 8.823 0.239 1
1 466 . 5 1 1 A 46 46 SER HA H 46 4.446 4.543 -0.097 1
1 469 . 5 1 1 A 46 46 SER C C 46 174.731 175.790 -1.059 1
1 470 . 5 1 1 A 46 46 SER CA C 46 57.302 58.901 -1.599 1
1 471 . 5 1 1 A 46 46 SER CB C 46 65.202 63.583 1.619 1
1 472 . 5 1 1 A 46 46 SER N N 46 117.855 116.651 1.204 1
1 473 . 5 1 1 A 47 47 THR H H 47 8.770 8.684 0.086 1
1 474 . 5 1 1 A 47 47 THR HA H 47 3.578 3.871 -0.293 1
1 479 . 5 1 1 A 47 47 THR C C 47 176.003 176.192 -0.189 1
1 480 . 5 1 1 A 47 47 THR CA C 47 67.477 65.844 1.633 1
1 481 . 5 1 1 A 47 47 THR CB C 47 68.317 68.855 -0.538 1
1 483 . 5 1 1 A 47 47 THR N N 47 115.428 118.277 -2.849 1
1 484 . 5 1 1 A 48 48 GLN H H 48 8.292 7.918 0.374 1
1 485 . 5 1 1 A 48 48 GLN HA H 48 3.890 3.959 -0.069 1
1 492 . 5 1 1 A 48 48 GLN C C 48 177.625 177.858 -0.233 1
1 493 . 5 1 1 A 48 48 GLN CA C 48 58.482 59.104 -0.622 1
1 494 . 5 1 1 A 48 48 GLN CB C 48 28.614 28.717 -0.103 1
1 496 . 5 1 1 A 48 48 GLN N N 48 119.078 119.868 -0.790 1
1 498 . 5 1 1 A 49 49 GLN H H 49 7.765 8.336 -0.571 1
1 499 . 5 1 1 A 49 49 GLN HA H 49 4.153 3.976 0.177 1
1 506 . 5 1 1 A 49 49 GLN C C 49 180.153 178.888 1.265 1
1 507 . 5 1 1 A 49 49 GLN CA C 49 58.927 59.331 -0.404 1
1 508 . 5 1 1 A 49 49 GLN CB C 49 30.030 28.293 1.737 1
1 510 . 5 1 1 A 49 49 GLN N N 49 117.667 118.884 -1.217 1
1 512 . 5 1 1 A 50 50 VAL H H 50 8.465 7.682 0.783 1
1 513 . 5 1 1 A 50 50 VAL HA H 50 3.620 3.762 -0.142 1
1 521 . 5 1 1 A 50 50 VAL C C 50 177.691 178.199 -0.508 1
1 522 . 5 1 1 A 50 50 VAL CA C 50 67.588 66.443 1.145 1
1 523 . 5 1 1 A 50 50 VAL CB C 50 31.470 31.497 -0.027 1
1 526 . 5 1 1 A 50 50 VAL N N 50 122.227 119.949 2.278 1
1 527 . 5 1 1 A 51 51 LEU H H 51 8.119 7.854 0.265 1
1 528 . 5 1 1 A 51 51 LEU HA H 51 3.975 3.990 -0.015 1
1 538 . 5 1 1 A 51 51 LEU C C 51 179.950 179.220 0.730 1
1 539 . 5 1 1 A 51 51 LEU CA C 51 59.206 58.297 0.909 1
1 540 . 5 1 1 A 51 51 LEU CB C 51 41.515 41.256 0.259 1
1 544 . 5 1 1 A 51 51 LEU N N 51 120.724 119.402 1.322 1
1 545 . 5 1 1 A 52 52 ASP H H 52 8.780 8.185 0.595 1
1 546 . 5 1 1 A 52 52 ASP HA H 52 4.344 4.350 -0.006 1
1 549 . 5 1 1 A 52 52 ASP C C 52 178.654 178.402 0.252 1
1 550 . 5 1 1 A 52 52 ASP CA C 52 57.310 57.242 0.068 1
1 551 . 5 1 1 A 52 52 ASP CB C 52 40.418 40.767 -0.349 1
1 552 . 5 1 1 A 52 52 ASP N N 52 118.559 119.018 -0.459 1
1 553 . 5 1 1 A 53 53 TRP H H 53 8.180 8.156 0.024 1
1 554 . 5 1 1 A 53 53 TRP HA H 53 3.905 4.286 -0.381 1
1 563 . 5 1 1 A 53 53 TRP C C 53 180.216 178.432 1.784 1
1 564 . 5 1 1 A 53 53 TRP CA C 53 62.801 61.030 1.771 1
1 565 . 5 1 1 A 53 53 TRP CB C 53 29.117 30.343 -1.226 1
1 571 . 5 1 1 A 53 53 TRP N N 53 123.121 121.752 1.369 1
1 573 . 5 1 1 A 54 54 PHE H H 54 8.371 8.311 0.060 1
1 574 . 5 1 1 A 54 54 PHE HA H 54 3.786 3.994 -0.208 1
1 582 . 5 1 1 A 54 54 PHE C C 54 178.605 177.638 0.967 1
1 583 . 5 1 1 A 54 54 PHE CA C 54 63.242 61.758 1.484 1
1 584 . 5 1 1 A 54 54 PHE CB C 54 39.446 38.924 0.522 1
1 590 . 5 1 1 A 54 54 PHE N N 54 117.319 117.615 -0.296 1
1 591 . 5 1 1 A 55 55 ASP H H 55 8.609 8.185 0.424 1
1 592 . 5 1 1 A 55 55 ASP HA H 55 4.499 4.305 0.194 1
1 595 . 5 1 1 A 55 55 ASP C C 55 177.993 178.496 -0.503 1
1 596 . 5 1 1 A 55 55 ASP CA C 55 57.370 57.344 0.026 1
1 597 . 5 1 1 A 55 55 ASP CB C 55 41.096 41.762 -0.666 1
1 598 . 5 1 1 A 55 55 ASP N N 55 120.805 119.644 1.161 1
1 599 . 5 1 1 A 56 56 SER H H 56 7.450 8.130 -0.680 1
1 600 . 5 1 1 A 56 56 SER HA H 56 4.236 4.009 0.227 1
1 603 . 5 1 1 A 56 56 SER C C 56 174.228 176.700 -2.472 1
1 604 . 5 1 1 A 56 56 SER CA C 56 59.538 61.548 -2.010 1
1 605 . 5 1 1 A 56 56 SER CB C 56 63.340 62.721 0.619 1
1 606 . 5 1 1 A 56 56 SER N N 56 111.640 116.085 -4.445 1
1 607 . 5 1 1 A 57 57 ARG H H 57 7.061 7.543 -0.482 1
1 608 . 5 1 1 A 57 57 ARG HA H 57 3.803 3.889 -0.086 1
1 615 . 5 1 1 A 57 57 ARG C C 57 175.909 177.379 -1.470 1
1 616 . 5 1 1 A 57 57 ARG CA C 57 55.254 58.769 -3.515 1
1 617 . 5 1 1 A 57 57 ARG CB C 57 30.216 29.278 0.938 1
1 620 . 5 1 1 A 57 57 ARG N N 57 120.670 119.090 1.580 1
1 621 . 5 1 1 A 58 58 LEU H H 58 7.519 7.612 -0.093 1
1 622 . 5 1 1 A 58 58 LEU HA H 58 4.611 4.603 0.008 1
1 632 . 5 1 1 A 58 58 LEU C C 58 174.867 175.108 -0.241 1
1 633 . 5 1 1 A 58 58 LEU CA C 58 53.322 53.990 -0.668 1
1 634 . 5 1 1 A 58 58 LEU CB C 58 41.891 41.331 0.560 1
1 638 . 5 1 1 A 58 58 LEU N N 58 122.146 120.672 1.474 1
1 639 . 5 1 1 A 59 59 PRO HA H 59 4.489 4.758 -0.269 1
1 645 . 5 1 1 A 59 59 PRO C C 59 176.849 175.966 0.883 1
1 646 . 5 1 1 A 59 59 PRO CA C 59 63.047 62.507 0.540 1
1 647 . 5 1 1 A 59 59 PRO CB C 59 32.066 29.936 2.130 1
1 650 . 5 1 1 A 60 60 GLN H H 60 8.496 8.280 0.216 1
1 651 . 5 1 1 A 60 60 GLN HA H 60 4.595 4.834 -0.239 1
1 658 . 5 1 1 A 60 60 GLN C C 60 174.178 173.124 1.054 1
1 659 . 5 1 1 A 60 60 GLN CA C 60 53.464 52.119 1.345 1
1 660 . 5 1 1 A 60 60 GLN CB C 60 28.989 30.311 -1.322 1
1 662 . 5 1 1 A 60 60 GLN N N 60 121.828 123.028 -1.200 1
1 664 . 5 1 1 A 61 61 PRO HA H 61 4.397 4.785 -0.388 1
1 670 . 5 1 1 A 61 61 PRO C C 61 176.634 176.143 0.491 1
1 671 . 5 1 1 A 61 61 PRO CA C 61 63.150 62.819 0.331 1
1 672 . 5 1 1 A 61 61 PRO CB C 61 32.103 31.671 0.432 1
1 675 . 5 1 1 A 62 62 ALA H H 62 8.445 8.349 0.096 1
1 676 . 5 1 1 A 62 62 ALA HA H 62 4.280 4.746 -0.466 1
1 680 . 5 1 1 A 62 62 ALA C C 62 177.871 174.995 2.876 1
1 681 . 5 1 1 A 62 62 ALA CA C 62 52.522 50.898 1.624 1
1 682 . 5 1 1 A 62 62 ALA CB C 62 19.309 23.720 -4.411 1
1 683 . 5 1 1 A 62 62 ALA N N 62 124.460 124.167 0.293 1
1 684 . 5 1 1 A 63 63 GLU H H 63 8.410 8.949 -0.539 1
1 685 . 5 1 1 A 63 63 GLU HA H 63 4.287 4.684 -0.397 1
1 689 . 5 1 1 A 63 63 GLU C C 63 176.521 175.495 1.026 1
1 690 . 5 1 1 A 63 63 GLU CA C 63 56.478 54.964 1.514 1
1 691 . 5 1 1 A 63 63 GLU CB C 63 30.371 31.038 -0.667 1
1 693 . 5 1 1 A 63 63 GLU N N 63 120.216 120.298 -0.082 1
1 694 . 5 1 1 A 64 64 VAL H H 64 8.221 8.559 -0.338 1
1 695 . 5 1 1 A 64 64 VAL HA H 64 4.177 3.469 0.708 1
1 703 . 5 1 1 A 64 64 VAL C C 64 176.179 174.831 1.348 1
1 704 . 5 1 1 A 64 64 VAL CA C 64 62.212 63.112 -0.900 1
1 705 . 5 1 1 A 64 64 VAL CB C 64 32.875 29.526 3.349 1
1 708 . 5 1 1 A 64 64 VAL N N 64 121.436 125.409 -3.973 1
1 709 . 5 1 1 A 65 65 SER H H 65 8.421 7.919 0.502 1
1 710 . 5 1 1 A 65 65 SER HA H 65 4.500 4.254 0.246 1
1 713 . 5 1 1 A 65 65 SER C C 65 174.560 174.284 0.276 1
1 714 . 5 1 1 A 65 65 SER CA C 65 58.411 59.768 -1.357 1
1 715 . 5 1 1 A 65 65 SER CB C 65 63.999 62.650 1.349 1
1 716 . 5 1 1 A 65 65 SER N N 65 119.752 115.683 4.069 1
1 717 . 5 1 1 A 66 66 GLY H H 66 8.268 8.389 -0.121 1
1 718 . 5 1 1 A 66 66 GLY HA2 H 66 4.065 3.999 0.066 1
1 719 . 5 1 1 A 66 66 GLY HA3 H 66 4.191 4.075 0.116 1
1 720 . 5 1 1 A 66 66 GLY C C 66 171.744 173.150 -1.406 1
1 721 . 5 1 1 A 66 66 GLY CA C 66 44.679 44.648 0.031 1
1 722 . 5 1 1 A 66 66 GLY N N 66 110.950 111.641 -0.691 1
1 723 . 5 1 1 A 67 67 PRO HA H 67 4.481 4.658 -0.177 1
1 728 . 5 1 1 A 67 67 PRO C C 67 177.427 175.083 2.344 1
1 729 . 5 1 1 A 67 67 PRO CA C 67 63.264 62.497 0.767 1
1 730 . 5 1 1 A 67 67 PRO CB C 67 32.200 33.466 -1.266 1
1 733 . 5 1 1 A 68 68 SER H H 68 8.543 8.198 0.345 1
1 734 . 5 1 1 A 68 68 SER HA H 68 4.559 4.841 -0.282 1
1 737 . 5 1 1 A 68 68 SER C C 68 174.726 172.456 2.270 1
1 738 . 5 1 1 A 68 68 SER CA C 68 58.368 58.120 0.248 1
1 739 . 5 1 1 A 68 68 SER CB C 68 63.934 65.889 -1.955 1
1 740 . 5 1 1 A 68 68 SER N N 68 116.507 114.796 1.711 1
1 741 . 5 1 1 A 69 69 SER H H 69 8.349 8.951 -0.602 1
1 742 . 5 1 1 A 69 69 SER HA H 69 4.507 4.710 -0.203 1
1 745 . 5 1 1 A 69 69 SER C C 69 173.960 173.652 0.308 1
1 746 . 5 1 1 A 69 69 SER CA C 69 58.355 57.039 1.316 1
1 747 . 5 1 1 A 69 69 SER CB C 69 63.993 63.609 0.384 1
1 748 . 5 1 1 A 69 69 SER N N 69 117.971 121.285 -3.314 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.533 4.092 0.441 1
1 4 . 6 1 1 A 6 6 SER C C 6 174.513 175.386 -0.873 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.407 60.654 -2.247 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.873 62.833 1.040 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.204 8.858 -0.654 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 4.085 4.100 -0.015 1
1 9 . 6 1 1 A 7 7 GLY C C 7 171.507 174.311 -2.804 1
1 10 . 6 1 1 A 7 7 GLY CA C 7 44.598 45.711 -1.113 1
1 11 . 6 1 1 A 7 7 GLY N N 7 110.772 113.928 -3.156 1
1 12 . 6 1 1 A 8 8 PRO HA H 8 4.421 4.625 -0.204 1
1 17 . 6 1 1 A 8 8 PRO C C 8 176.943 177.239 -0.296 1
1 18 . 6 1 1 A 8 8 PRO CA C 8 62.917 62.853 0.064 1
1 19 . 6 1 1 A 8 8 PRO CB C 8 32.101 31.701 0.400 1
1 22 . 6 1 1 A 9 9 LEU H H 9 8.334 8.232 0.102 1
1 23 . 6 1 1 A 9 9 LEU HA H 9 4.584 4.442 0.142 1
1 33 . 6 1 1 A 9 9 LEU C C 9 175.412 176.259 -0.847 1
1 34 . 6 1 1 A 9 9 LEU CA C 9 53.030 53.581 -0.551 1
1 35 . 6 1 1 A 9 9 LEU CB C 9 41.804 42.078 -0.274 1
1 39 . 6 1 1 A 9 9 LEU N N 9 123.997 119.686 4.311 1
1 40 . 6 1 1 A 10 10 PRO HA H 10 4.425 4.620 -0.195 1
1 46 . 6 1 1 A 10 10 PRO C C 10 176.530 176.632 -0.102 1
1 47 . 6 1 1 A 10 10 PRO CA C 10 62.801 62.117 0.684 1
1 48 . 6 1 1 A 10 10 PRO CB C 10 31.871 32.764 -0.893 1
1 51 . 6 1 1 A 11 11 ILE H H 11 8.216 8.328 -0.112 1
1 52 . 6 1 1 A 11 11 ILE HA H 11 4.429 4.359 0.070 1
1 62 . 6 1 1 A 11 11 ILE C C 11 174.437 174.797 -0.360 1
1 63 . 6 1 1 A 11 11 ILE CA C 11 58.548 59.716 -1.168 1
1 64 . 6 1 1 A 11 11 ILE CB C 11 38.746 38.031 0.715 1
1 68 . 6 1 1 A 11 11 ILE N N 11 123.082 118.641 4.441 1
1 72 . 6 1 1 A 16 16 PRO HA H 16 4.575 4.567 0.008 1
1 78 . 6 1 1 A 16 16 PRO C C 16 175.885 175.207 0.678 1
1 79 . 6 1 1 A 16 16 PRO CA C 16 63.146 62.531 0.615 1
1 80 . 6 1 1 A 16 16 PRO CB C 16 32.894 32.352 0.542 1
1 83 . 6 1 1 A 17 17 ASP H H 17 8.822 8.158 0.664 1
1 84 . 6 1 1 A 17 17 ASP HA H 17 4.832 4.824 0.008 1
1 87 . 6 1 1 A 17 17 ASP C C 17 174.878 176.037 -1.159 1
1 88 . 6 1 1 A 17 17 ASP CA C 17 52.473 53.619 -1.146 1
1 89 . 6 1 1 A 17 17 ASP CB C 17 42.755 41.543 1.212 1
1 90 . 6 1 1 A 17 17 ASP N N 17 121.885 120.783 1.102 1
1 91 . 6 1 1 A 18 18 ILE H H 18 8.259 8.504 -0.245 1
1 92 . 6 1 1 A 18 18 ILE HA H 18 3.889 3.876 0.013 1
1 102 . 6 1 1 A 18 18 ILE C C 18 178.346 177.219 1.127 1
1 103 . 6 1 1 A 18 18 ILE CA C 18 59.806 61.767 -1.961 1
1 104 . 6 1 1 A 18 18 ILE CB C 18 38.247 38.183 0.064 1
1 108 . 6 1 1 A 18 18 ILE N N 18 118.184 125.605 -7.421 1
1 109 . 6 1 1 A 19 19 GLN H H 19 8.404 8.111 0.293 1
1 110 . 6 1 1 A 19 19 GLN HA H 19 4.199 4.104 0.095 1
1 117 . 6 1 1 A 19 19 GLN C C 19 175.287 174.263 1.024 1
1 118 . 6 1 1 A 19 19 GLN CA C 19 60.889 60.825 0.064 1
1 119 . 6 1 1 A 19 19 GLN CB C 19 26.552 26.776 -0.224 1
1 121 . 6 1 1 A 19 19 GLN N N 19 123.230 122.081 1.149 1
1 123 . 6 1 1 A 20 20 PRO HA H 20 4.217 4.264 -0.047 1
1 130 . 6 1 1 A 20 20 PRO C C 20 179.677 179.642 0.035 1
1 131 . 6 1 1 A 20 20 PRO CA C 20 65.855 66.382 -0.527 1
1 132 . 6 1 1 A 20 20 PRO CB C 20 31.439 30.624 0.815 1
1 135 . 6 1 1 A 21 21 LEU H H 21 7.026 7.175 -0.149 1
1 136 . 6 1 1 A 21 21 LEU HA H 21 3.885 4.076 -0.191 1
1 146 . 6 1 1 A 21 21 LEU C C 21 177.599 178.483 -0.884 1
1 147 . 6 1 1 A 21 21 LEU CA C 21 58.435 57.346 1.089 1
1 148 . 6 1 1 A 21 21 LEU CB C 21 37.236 40.802 -3.566 1
1 152 . 6 1 1 A 21 21 LEU N N 21 116.369 117.028 -0.659 1
1 153 . 6 1 1 A 22 22 GLU H H 22 7.611 8.475 -0.864 1
1 154 . 6 1 1 A 22 22 GLU HA H 22 4.309 4.162 0.147 1
1 159 . 6 1 1 A 22 22 GLU C C 22 180.755 179.351 1.404 1
1 160 . 6 1 1 A 22 22 GLU CA C 22 59.887 59.939 -0.052 1
1 161 . 6 1 1 A 22 22 GLU CB C 22 29.715 29.414 0.301 1
1 163 . 6 1 1 A 22 22 GLU N N 22 119.345 118.875 0.470 1
1 164 . 6 1 1 A 23 23 ARG H H 23 8.662 8.049 0.613 1
1 165 . 6 1 1 A 23 23 ARG HA H 23 4.143 4.108 0.035 1
1 172 . 6 1 1 A 23 23 ARG C C 23 179.115 178.617 0.498 1
1 173 . 6 1 1 A 23 23 ARG CA C 23 59.453 59.529 -0.076 1
1 174 . 6 1 1 A 23 23 ARG CB C 23 30.628 30.049 0.579 1
1 177 . 6 1 1 A 23 23 ARG N N 23 119.060 119.439 -0.379 1
1 178 . 6 1 1 A 24 24 TYR H H 24 7.798 7.892 -0.094 1
1 179 . 6 1 1 A 24 24 TYR HA H 24 4.349 4.538 -0.189 1
1 186 . 6 1 1 A 24 24 TYR C C 24 178.627 177.889 0.738 1
1 187 . 6 1 1 A 24 24 TYR CA C 24 61.883 61.788 0.095 1
1 188 . 6 1 1 A 24 24 TYR CB C 24 39.326 38.887 0.439 1
1 193 . 6 1 1 A 24 24 TYR N N 24 122.046 120.532 1.514 1
1 194 . 6 1 1 A 25 25 TRP H H 25 9.612 8.414 1.198 1
1 195 . 6 1 1 A 25 25 TRP HA H 25 4.680 4.370 0.310 1
1 204 . 6 1 1 A 25 25 TRP C C 25 178.218 179.038 -0.820 1
1 205 . 6 1 1 A 25 25 TRP CA C 25 60.775 61.209 -0.434 1
1 206 . 6 1 1 A 25 25 TRP CB C 25 29.956 29.789 0.167 1
1 212 . 6 1 1 A 25 25 TRP N N 25 121.351 121.520 -0.169 1
1 214 . 6 1 1 A 26 26 ALA H H 26 8.336 8.679 -0.343 1
1 215 . 6 1 1 A 26 26 ALA HA H 26 3.911 4.026 -0.115 1
1 219 . 6 1 1 A 26 26 ALA C C 26 178.850 179.198 -0.348 1
1 220 . 6 1 1 A 26 26 ALA CA C 26 54.720 53.619 1.101 1
1 221 . 6 1 1 A 26 26 ALA CB C 26 18.147 18.377 -0.230 1
1 222 . 6 1 1 A 26 26 ALA N N 26 118.991 121.373 -2.382 1
1 223 . 6 1 1 A 27 27 ALA H H 27 7.261 7.912 -0.651 1
1 224 . 6 1 1 A 27 27 ALA HA H 27 4.071 4.142 -0.071 1
1 228 . 6 1 1 A 27 27 ALA C C 27 178.433 178.972 -0.539 1
1 229 . 6 1 1 A 27 27 ALA CA C 27 53.440 54.288 -0.848 1
1 230 . 6 1 1 A 27 27 ALA CB C 27 18.789 19.349 -0.560 1
1 231 . 6 1 1 A 27 27 ALA N N 27 116.928 119.812 -2.884 1
1 232 . 6 1 1 A 28 28 HIS H H 28 7.810 8.103 -0.293 1
1 233 . 6 1 1 A 28 28 HIS HA H 28 4.574 4.464 0.110 1
1 238 . 6 1 1 A 28 28 HIS C C 28 175.351 175.049 0.302 1
1 239 . 6 1 1 A 28 28 HIS CA C 28 56.709 56.901 -0.192 1
1 240 . 6 1 1 A 28 28 HIS CB C 28 31.928 30.717 1.211 1
1 243 . 6 1 1 A 28 28 HIS N N 28 113.337 112.965 0.372 1
1 244 . 6 1 1 A 29 29 GLN H H 29 8.811 7.850 0.961 1
1 245 . 6 1 1 A 29 29 GLN HA H 29 2.344 3.319 -0.975 1
1 251 . 6 1 1 A 29 29 GLN C C 29 173.677 174.089 -0.412 1
1 252 . 6 1 1 A 29 29 GLN CA C 29 57.111 56.676 0.435 1
1 253 . 6 1 1 A 29 29 GLN CB C 29 26.795 27.382 -0.587 1
1 255 . 6 1 1 A 29 29 GLN N N 29 115.607 118.410 -2.803 1
1 257 . 6 1 1 A 30 30 GLN H H 30 7.465 7.762 -0.297 1
1 258 . 6 1 1 A 30 30 GLN HA H 30 4.607 5.022 -0.415 1
1 265 . 6 1 1 A 30 30 GLN C C 30 173.052 174.618 -1.566 1
1 266 . 6 1 1 A 30 30 GLN CA C 30 54.807 54.932 -0.125 1
1 267 . 6 1 1 A 30 30 GLN CB C 30 30.766 31.837 -1.071 1
1 269 . 6 1 1 A 30 30 GLN N N 30 112.695 118.119 -5.424 1
1 271 . 6 1 1 A 31 31 LEU H H 31 8.805 8.982 -0.177 1
1 272 . 6 1 1 A 31 31 LEU HA H 31 4.440 4.703 -0.263 1
1 282 . 6 1 1 A 31 31 LEU C C 31 176.017 175.112 0.905 1
1 283 . 6 1 1 A 31 31 LEU CA C 31 54.608 55.144 -0.536 1
1 284 . 6 1 1 A 31 31 LEU CB C 31 42.819 43.107 -0.288 1
1 288 . 6 1 1 A 31 31 LEU N N 31 121.685 128.425 -6.740 1
1 289 . 6 1 1 A 32 32 ARG H H 32 7.422 8.644 -1.222 1
1 290 . 6 1 1 A 32 32 ARG HA H 32 4.574 4.752 -0.178 1
1 297 . 6 1 1 A 32 32 ARG C C 32 177.277 176.565 0.712 1
1 298 . 6 1 1 A 32 32 ARG CA C 32 55.071 53.927 1.144 1
1 299 . 6 1 1 A 32 32 ARG CB C 32 29.854 33.045 -3.191 1
1 302 . 6 1 1 A 32 32 ARG N N 32 126.338 125.757 0.581 1
1 303 . 6 1 1 A 33 33 GLU H H 33 9.164 9.010 0.154 1
1 304 . 6 1 1 A 33 33 GLU HA H 33 3.766 3.972 -0.206 1
1 309 . 6 1 1 A 33 33 GLU C C 33 178.939 178.359 0.580 1
1 310 . 6 1 1 A 33 33 GLU CA C 33 60.097 59.207 0.890 1
1 311 . 6 1 1 A 33 33 GLU CB C 33 29.340 29.311 0.029 1
1 313 . 6 1 1 A 33 33 GLU N N 33 126.822 123.502 3.320 1
1 314 . 6 1 1 A 34 34 THR H H 34 7.785 7.618 0.167 1
1 315 . 6 1 1 A 34 34 THR HA H 34 4.055 4.167 -0.112 1
1 320 . 6 1 1 A 34 34 THR C C 34 175.387 175.288 0.099 1
1 321 . 6 1 1 A 34 34 THR CA C 34 63.631 66.060 -2.429 1
1 322 . 6 1 1 A 34 34 THR CB C 34 68.560 69.019 -0.459 1
1 324 . 6 1 1 A 34 34 THR N N 34 108.953 117.139 -8.186 1
1 325 . 6 1 1 A 35 35 ASP H H 35 7.841 8.268 -0.427 1
1 326 . 6 1 1 A 35 35 ASP HA H 35 4.928 4.418 0.510 1
1 329 . 6 1 1 A 35 35 ASP C C 35 175.827 177.686 -1.859 1
1 330 . 6 1 1 A 35 35 ASP CA C 35 55.169 55.148 0.021 1
1 331 . 6 1 1 A 35 35 ASP CB C 35 41.057 40.957 0.100 1
1 332 . 6 1 1 A 35 35 ASP N N 35 119.019 120.304 -1.285 1
1 333 . 6 1 1 A 36 36 ILE H H 36 7.388 7.721 -0.333 1
1 334 . 6 1 1 A 36 36 ILE HA H 36 3.495 3.556 -0.061 1
1 344 . 6 1 1 A 36 36 ILE C C 36 174.161 175.079 -0.918 1
1 345 . 6 1 1 A 36 36 ILE CA C 36 67.912 66.251 1.661 1
1 346 . 6 1 1 A 36 36 ILE CB C 36 35.457 35.566 -0.109 1
1 350 . 6 1 1 A 36 36 ILE N N 36 119.567 121.324 -1.757 1
1 351 . 6 1 1 A 37 37 PRO HA H 37 4.232 4.232 0.000 1
1 358 . 6 1 1 A 37 37 PRO C C 37 179.572 178.803 0.769 1
1 359 . 6 1 1 A 37 37 PRO CA C 37 66.890 66.262 0.628 1
1 360 . 6 1 1 A 37 37 PRO CB C 37 30.704 30.527 0.177 1
1 363 . 6 1 1 A 38 38 GLN H H 38 7.837 8.066 -0.229 1
1 364 . 6 1 1 A 38 38 GLN HA H 38 4.143 4.035 0.108 1
1 371 . 6 1 1 A 38 38 GLN C C 38 178.918 178.414 0.504 1
1 372 . 6 1 1 A 38 38 GLN CA C 38 59.171 58.879 0.292 1
1 373 . 6 1 1 A 38 38 GLN CB C 38 27.986 28.154 -0.168 1
1 375 . 6 1 1 A 38 38 GLN N N 38 117.627 117.430 0.197 1
1 377 . 6 1 1 A 39 39 LEU H H 39 7.991 8.148 -0.157 1
1 378 . 6 1 1 A 39 39 LEU HA H 39 3.995 3.976 0.019 1
1 388 . 6 1 1 A 39 39 LEU C C 39 180.831 178.512 2.319 1
1 389 . 6 1 1 A 39 39 LEU CA C 39 57.722 57.625 0.097 1
1 390 . 6 1 1 A 39 39 LEU CB C 39 42.314 41.641 0.673 1
1 394 . 6 1 1 A 39 39 LEU N N 39 121.128 119.975 1.153 1
1 395 . 6 1 1 A 40 40 SER H H 40 8.980 8.058 0.922 1
1 396 . 6 1 1 A 40 40 SER HA H 40 4.086 4.047 0.039 1
1 399 . 6 1 1 A 40 40 SER C C 40 176.517 177.180 -0.663 1
1 400 . 6 1 1 A 40 40 SER CA C 40 60.859 61.591 -0.732 1
1 401 . 6 1 1 A 40 40 SER CB C 40 63.255 62.910 0.345 1
1 402 . 6 1 1 A 40 40 SER N N 40 117.510 113.585 3.925 1
1 403 . 6 1 1 A 41 41 GLN H H 41 8.074 7.922 0.152 1
1 404 . 6 1 1 A 41 41 GLN HA H 41 4.014 4.010 0.004 1
1 411 . 6 1 1 A 41 41 GLN C C 41 178.637 178.745 -0.108 1
1 412 . 6 1 1 A 41 41 GLN CA C 41 58.955 58.504 0.451 1
1 413 . 6 1 1 A 41 41 GLN CB C 41 28.421 28.348 0.073 1
1 415 . 6 1 1 A 41 41 GLN N N 41 120.218 121.214 -0.996 1
1 417 . 6 1 1 A 42 42 ALA H H 42 8.149 7.636 0.513 1
1 418 . 6 1 1 A 42 42 ALA HA H 42 4.162 4.100 0.062 1
1 422 . 6 1 1 A 42 42 ALA C C 42 178.442 178.871 -0.429 1
1 423 . 6 1 1 A 42 42 ALA CA C 42 54.567 54.979 -0.412 1
1 424 . 6 1 1 A 42 42 ALA CB C 42 19.202 18.202 1.000 1
1 425 . 6 1 1 A 42 42 ALA N N 42 118.903 122.376 -3.473 1
1 426 . 6 1 1 A 43 43 SER H H 43 7.784 7.797 -0.013 1
1 427 . 6 1 1 A 43 43 SER HA H 43 4.851 4.553 0.298 1
1 430 . 6 1 1 A 43 43 SER C C 43 175.304 174.402 0.902 1
1 431 . 6 1 1 A 43 43 SER CA C 43 59.180 58.118 1.062 1
1 432 . 6 1 1 A 43 43 SER CB C 43 66.897 63.166 3.731 1
1 433 . 6 1 1 A 43 43 SER N N 43 109.522 110.809 -1.287 1
1 434 . 6 1 1 A 44 44 ARG H H 44 7.799 7.666 0.133 1
1 435 . 6 1 1 A 44 44 ARG HA H 44 3.872 3.835 0.037 1
1 441 . 6 1 1 A 44 44 ARG C C 44 175.312 174.621 0.691 1
1 442 . 6 1 1 A 44 44 ARG CA C 44 58.582 57.377 1.205 1
1 443 . 6 1 1 A 44 44 ARG CB C 44 26.661 26.918 -0.257 1
1 446 . 6 1 1 A 44 44 ARG N N 44 114.335 116.848 -2.513 1
1 447 . 6 1 1 A 45 45 LEU H H 45 7.759 8.029 -0.270 1
1 448 . 6 1 1 A 45 45 LEU HA H 45 4.571 4.843 -0.272 1
1 458 . 6 1 1 A 45 45 LEU C C 45 177.069 176.743 0.326 1
1 459 . 6 1 1 A 45 45 LEU CA C 45 53.471 53.379 0.092 1
1 460 . 6 1 1 A 45 45 LEU CB C 45 43.845 43.747 0.098 1
1 464 . 6 1 1 A 45 45 LEU N N 45 120.316 118.909 1.407 1
1 465 . 6 1 1 A 46 46 SER H H 46 9.062 8.624 0.438 1
1 466 . 6 1 1 A 46 46 SER HA H 46 4.446 4.918 -0.472 1
1 469 . 6 1 1 A 46 46 SER C C 46 174.731 176.092 -1.361 1
1 470 . 6 1 1 A 46 46 SER CA C 46 57.302 56.546 0.756 1
1 471 . 6 1 1 A 46 46 SER CB C 46 65.202 65.661 -0.459 1
1 472 . 6 1 1 A 46 46 SER N N 46 117.855 113.594 4.261 1
1 473 . 6 1 1 A 47 47 THR H H 47 8.770 8.771 -0.001 1
1 474 . 6 1 1 A 47 47 THR HA H 47 3.578 3.847 -0.269 1
1 479 . 6 1 1 A 47 47 THR C C 47 176.003 176.299 -0.296 1
1 480 . 6 1 1 A 47 47 THR CA C 47 67.477 65.781 1.696 1
1 481 . 6 1 1 A 47 47 THR CB C 47 68.317 68.744 -0.427 1
1 483 . 6 1 1 A 47 47 THR N N 47 115.428 117.961 -2.533 1
1 484 . 6 1 1 A 48 48 GLN H H 48 8.292 7.864 0.428 1
1 485 . 6 1 1 A 48 48 GLN HA H 48 3.890 3.986 -0.096 1
1 492 . 6 1 1 A 48 48 GLN C C 48 177.625 178.336 -0.711 1
1 493 . 6 1 1 A 48 48 GLN CA C 48 58.482 58.889 -0.407 1
1 494 . 6 1 1 A 48 48 GLN CB C 48 28.614 28.276 0.338 1
1 496 . 6 1 1 A 48 48 GLN N N 48 119.078 119.760 -0.682 1
1 498 . 6 1 1 A 49 49 GLN H H 49 7.765 8.364 -0.599 1
1 499 . 6 1 1 A 49 49 GLN HA H 49 4.153 3.961 0.192 1
1 506 . 6 1 1 A 49 49 GLN C C 49 180.153 178.757 1.396 1
1 507 . 6 1 1 A 49 49 GLN CA C 49 58.927 59.291 -0.364 1
1 508 . 6 1 1 A 49 49 GLN CB C 49 30.030 28.170 1.860 1
1 510 . 6 1 1 A 49 49 GLN N N 49 117.667 118.710 -1.043 1
1 512 . 6 1 1 A 50 50 VAL H H 50 8.465 7.801 0.664 1
1 513 . 6 1 1 A 50 50 VAL HA H 50 3.620 3.736 -0.116 1
1 521 . 6 1 1 A 50 50 VAL C C 50 177.691 178.164 -0.473 1
1 522 . 6 1 1 A 50 50 VAL CA C 50 67.588 66.331 1.257 1
1 523 . 6 1 1 A 50 50 VAL CB C 50 31.470 31.335 0.135 1
1 526 . 6 1 1 A 50 50 VAL N N 50 122.227 119.929 2.298 1
1 527 . 6 1 1 A 51 51 LEU H H 51 8.119 7.712 0.407 1
1 528 . 6 1 1 A 51 51 LEU HA H 51 3.975 3.882 0.093 1
1 538 . 6 1 1 A 51 51 LEU C C 51 179.950 179.103 0.847 1
1 539 . 6 1 1 A 51 51 LEU CA C 51 59.206 58.111 1.095 1
1 540 . 6 1 1 A 51 51 LEU CB C 51 41.515 40.976 0.539 1
1 544 . 6 1 1 A 51 51 LEU N N 51 120.724 120.301 0.423 1
1 545 . 6 1 1 A 52 52 ASP H H 52 8.780 8.028 0.752 1
1 546 . 6 1 1 A 52 52 ASP HA H 52 4.344 4.367 -0.023 1
1 549 . 6 1 1 A 52 52 ASP C C 52 178.654 178.420 0.234 1
1 550 . 6 1 1 A 52 52 ASP CA C 52 57.310 57.208 0.102 1
1 551 . 6 1 1 A 52 52 ASP CB C 52 40.418 40.586 -0.168 1
1 552 . 6 1 1 A 52 52 ASP N N 52 118.559 118.987 -0.428 1
1 553 . 6 1 1 A 53 53 TRP H H 53 8.180 8.150 0.030 1
1 554 . 6 1 1 A 53 53 TRP HA H 53 3.905 4.336 -0.431 1
1 563 . 6 1 1 A 53 53 TRP C C 53 180.216 178.448 1.768 1
1 564 . 6 1 1 A 53 53 TRP CA C 53 62.801 61.154 1.647 1
1 565 . 6 1 1 A 53 53 TRP CB C 53 29.117 30.744 -1.627 1
1 571 . 6 1 1 A 53 53 TRP N N 53 123.121 121.870 1.251 1
1 573 . 6 1 1 A 54 54 PHE H H 54 8.371 8.388 -0.017 1
1 574 . 6 1 1 A 54 54 PHE HA H 54 3.786 3.833 -0.047 1
1 582 . 6 1 1 A 54 54 PHE C C 54 178.605 177.616 0.989 1
1 583 . 6 1 1 A 54 54 PHE CA C 54 63.242 61.692 1.550 1
1 584 . 6 1 1 A 54 54 PHE CB C 54 39.446 38.811 0.635 1
1 590 . 6 1 1 A 54 54 PHE N N 54 117.319 117.652 -0.333 1
1 591 . 6 1 1 A 55 55 ASP H H 55 8.609 8.100 0.509 1
1 592 . 6 1 1 A 55 55 ASP HA H 55 4.499 4.383 0.116 1
1 595 . 6 1 1 A 55 55 ASP C C 55 177.993 178.455 -0.462 1
1 596 . 6 1 1 A 55 55 ASP CA C 55 57.370 57.458 -0.088 1
1 597 . 6 1 1 A 55 55 ASP CB C 55 41.096 42.161 -1.065 1
1 598 . 6 1 1 A 55 55 ASP N N 55 120.805 119.527 1.278 1
1 599 . 6 1 1 A 56 56 SER H H 56 7.450 8.354 -0.904 1
1 600 . 6 1 1 A 56 56 SER HA H 56 4.236 4.044 0.192 1
1 603 . 6 1 1 A 56 56 SER C C 56 174.228 176.709 -2.481 1
1 604 . 6 1 1 A 56 56 SER CA C 56 59.538 61.282 -1.744 1
1 605 . 6 1 1 A 56 56 SER CB C 56 63.340 62.617 0.723 1
1 606 . 6 1 1 A 56 56 SER N N 56 111.640 116.495 -4.855 1
1 607 . 6 1 1 A 57 57 ARG H H 57 7.061 7.428 -0.367 1
1 608 . 6 1 1 A 57 57 ARG HA H 57 3.803 3.895 -0.092 1
1 615 . 6 1 1 A 57 57 ARG C C 57 175.909 177.346 -1.437 1
1 616 . 6 1 1 A 57 57 ARG CA C 57 55.254 58.532 -3.278 1
1 617 . 6 1 1 A 57 57 ARG CB C 57 30.216 29.484 0.732 1
1 620 . 6 1 1 A 57 57 ARG N N 57 120.670 118.415 2.255 1
1 621 . 6 1 1 A 58 58 LEU H H 58 7.519 7.324 0.195 1
1 622 . 6 1 1 A 58 58 LEU HA H 58 4.611 4.515 0.096 1
1 632 . 6 1 1 A 58 58 LEU C C 58 174.867 175.120 -0.253 1
1 633 . 6 1 1 A 58 58 LEU CA C 58 53.322 53.945 -0.623 1
1 634 . 6 1 1 A 58 58 LEU CB C 58 41.891 41.303 0.588 1
1 638 . 6 1 1 A 58 58 LEU N N 58 122.146 120.547 1.599 1
1 639 . 6 1 1 A 59 59 PRO HA H 59 4.489 4.739 -0.250 1
1 645 . 6 1 1 A 59 59 PRO C C 59 176.849 175.861 0.988 1
1 646 . 6 1 1 A 59 59 PRO CA C 59 63.047 62.493 0.554 1
1 647 . 6 1 1 A 59 59 PRO CB C 59 32.066 29.970 2.096 1
1 650 . 6 1 1 A 60 60 GLN H H 60 8.496 8.176 0.320 1
1 651 . 6 1 1 A 60 60 GLN HA H 60 4.595 5.058 -0.463 1
1 658 . 6 1 1 A 60 60 GLN C C 60 174.178 172.788 1.390 1
1 659 . 6 1 1 A 60 60 GLN CA C 60 53.464 53.034 0.430 1
1 660 . 6 1 1 A 60 60 GLN CB C 60 28.989 31.874 -2.885 1
1 662 . 6 1 1 A 60 60 GLN N N 60 121.828 117.463 4.365 1
1 664 . 6 1 1 A 61 61 PRO HA H 61 4.397 4.770 -0.373 1
1 670 . 6 1 1 A 61 61 PRO C C 61 176.634 176.076 0.558 1
1 671 . 6 1 1 A 61 61 PRO CA C 61 63.150 62.720 0.430 1
1 672 . 6 1 1 A 61 61 PRO CB C 61 32.103 32.273 -0.170 1
1 675 . 6 1 1 A 62 62 ALA H H 62 8.445 8.374 0.071 1
1 676 . 6 1 1 A 62 62 ALA HA H 62 4.280 5.010 -0.730 1
1 680 . 6 1 1 A 62 62 ALA C C 62 177.871 175.575 2.296 1
1 681 . 6 1 1 A 62 62 ALA CA C 62 52.522 50.425 2.097 1
1 682 . 6 1 1 A 62 62 ALA CB C 62 19.309 22.883 -3.574 1
1 683 . 6 1 1 A 62 62 ALA N N 62 124.460 123.770 0.690 1
1 684 . 6 1 1 A 63 63 GLU H H 63 8.410 8.948 -0.538 1
1 685 . 6 1 1 A 63 63 GLU HA H 63 4.287 4.691 -0.404 1
1 689 . 6 1 1 A 63 63 GLU C C 63 176.521 175.610 0.911 1
1 690 . 6 1 1 A 63 63 GLU CA C 63 56.478 55.627 0.851 1
1 691 . 6 1 1 A 63 63 GLU CB C 63 30.371 31.851 -1.480 1
1 693 . 6 1 1 A 63 63 GLU N N 63 120.216 121.403 -1.187 1
1 694 . 6 1 1 A 64 64 VAL H H 64 8.221 8.673 -0.452 1
1 695 . 6 1 1 A 64 64 VAL HA H 64 4.177 3.772 0.405 1
1 703 . 6 1 1 A 64 64 VAL C C 64 176.179 176.433 -0.254 1
1 704 . 6 1 1 A 64 64 VAL CA C 64 62.212 63.230 -1.018 1
1 705 . 6 1 1 A 64 64 VAL CB C 64 32.875 29.480 3.395 1
1 708 . 6 1 1 A 64 64 VAL N N 64 121.436 127.394 -5.958 1
1 709 . 6 1 1 A 65 65 SER H H 65 8.421 8.314 0.107 1
1 710 . 6 1 1 A 65 65 SER HA H 65 4.500 4.280 0.220 1
1 713 . 6 1 1 A 65 65 SER C C 65 174.560 174.440 0.120 1
1 714 . 6 1 1 A 65 65 SER CA C 65 58.411 59.615 -1.204 1
1 715 . 6 1 1 A 65 65 SER CB C 65 63.999 64.206 -0.207 1
1 716 . 6 1 1 A 65 65 SER N N 65 119.752 114.345 5.407 1
1 717 . 6 1 1 A 66 66 GLY H H 66 8.268 7.841 0.427 1
1 718 . 6 1 1 A 66 66 GLY HA2 H 66 4.065 4.086 -0.021 1
1 719 . 6 1 1 A 66 66 GLY HA3 H 66 4.191 4.086 0.105 1
1 720 . 6 1 1 A 66 66 GLY C C 66 171.744 173.252 -1.508 1
1 721 . 6 1 1 A 66 66 GLY CA C 66 44.679 44.796 -0.117 1
1 722 . 6 1 1 A 66 66 GLY N N 66 110.950 108.695 2.255 1
1 723 . 6 1 1 A 67 67 PRO HA H 67 4.481 4.742 -0.261 1
1 728 . 6 1 1 A 67 67 PRO C C 67 177.427 175.626 1.801 1
1 729 . 6 1 1 A 67 67 PRO CA C 67 63.264 62.781 0.483 1
1 730 . 6 1 1 A 67 67 PRO CB C 67 32.200 31.709 0.491 1
1 733 . 6 1 1 A 68 68 SER H H 68 8.543 8.640 -0.097 1
1 734 . 6 1 1 A 68 68 SER HA H 68 4.559 4.946 -0.387 1
1 737 . 6 1 1 A 68 68 SER C C 68 174.726 173.159 1.567 1
1 738 . 6 1 1 A 68 68 SER CA C 68 58.368 56.550 1.818 1
1 739 . 6 1 1 A 68 68 SER CB C 68 63.934 66.386 -2.452 1
1 740 . 6 1 1 A 68 68 SER N N 68 116.507 118.662 -2.155 1
1 741 . 6 1 1 A 69 69 SER H H 69 8.349 8.591 -0.242 1
1 742 . 6 1 1 A 69 69 SER HA H 69 4.507 4.308 0.199 1
1 745 . 6 1 1 A 69 69 SER C C 69 173.960 175.100 -1.140 1
1 746 . 6 1 1 A 69 69 SER CA C 69 58.355 58.966 -0.611 1
1 747 . 6 1 1 A 69 69 SER CB C 69 63.993 63.426 0.567 1
1 748 . 6 1 1 A 69 69 SER N N 69 117.971 118.200 -0.229 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.533 4.273 0.260 1
1 4 . 7 1 1 A 6 6 SER C C 6 174.513 175.314 -0.801 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.407 59.774 -1.367 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.873 63.892 -0.019 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.204 8.161 0.043 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 4.085 3.815 0.270 1
1 9 . 7 1 1 A 7 7 GLY C C 7 171.507 173.794 -2.287 1
1 10 . 7 1 1 A 7 7 GLY CA C 7 44.598 47.029 -2.431 1
1 11 . 7 1 1 A 7 7 GLY N N 7 110.772 110.093 0.679 1
1 12 . 7 1 1 A 8 8 PRO HA H 8 4.421 4.561 -0.140 1
1 17 . 7 1 1 A 8 8 PRO C C 8 176.943 175.314 1.629 1
1 18 . 7 1 1 A 8 8 PRO CA C 8 62.917 62.469 0.448 1
1 19 . 7 1 1 A 8 8 PRO CB C 8 32.101 33.031 -0.930 1
1 22 . 7 1 1 A 9 9 LEU H H 9 8.334 8.368 -0.034 1
1 23 . 7 1 1 A 9 9 LEU HA H 9 4.584 4.907 -0.323 1
1 33 . 7 1 1 A 9 9 LEU C C 9 175.412 174.559 0.853 1
1 34 . 7 1 1 A 9 9 LEU CA C 9 53.030 51.537 1.493 1
1 35 . 7 1 1 A 9 9 LEU CB C 9 41.804 42.478 -0.674 1
1 39 . 7 1 1 A 9 9 LEU N N 9 123.997 122.130 1.867 1
1 40 . 7 1 1 A 10 10 PRO HA H 10 4.425 4.585 -0.160 1
1 46 . 7 1 1 A 10 10 PRO C C 10 176.530 176.925 -0.395 1
1 47 . 7 1 1 A 10 10 PRO CA C 10 62.801 62.130 0.671 1
1 48 . 7 1 1 A 10 10 PRO CB C 10 31.871 32.810 -0.939 1
1 51 . 7 1 1 A 11 11 ILE H H 11 8.216 8.347 -0.131 1
1 52 . 7 1 1 A 11 11 ILE HA H 11 4.429 4.249 0.180 1
1 62 . 7 1 1 A 11 11 ILE C C 11 174.437 175.388 -0.951 1
1 63 . 7 1 1 A 11 11 ILE CA C 11 58.548 59.862 -1.314 1
1 64 . 7 1 1 A 11 11 ILE CB C 11 38.746 37.943 0.803 1
1 68 . 7 1 1 A 11 11 ILE N N 11 123.082 119.290 3.792 1
1 72 . 7 1 1 A 16 16 PRO HA H 16 4.575 4.530 0.045 1
1 78 . 7 1 1 A 16 16 PRO C C 16 175.885 175.085 0.800 1
1 79 . 7 1 1 A 16 16 PRO CA C 16 63.146 62.506 0.640 1
1 80 . 7 1 1 A 16 16 PRO CB C 16 32.894 32.447 0.447 1
1 83 . 7 1 1 A 17 17 ASP H H 17 8.822 8.386 0.436 1
1 84 . 7 1 1 A 17 17 ASP HA H 17 4.832 4.939 -0.107 1
1 87 . 7 1 1 A 17 17 ASP C C 17 174.878 175.943 -1.065 1
1 88 . 7 1 1 A 17 17 ASP CA C 17 52.473 53.509 -1.036 1
1 89 . 7 1 1 A 17 17 ASP CB C 17 42.755 41.845 0.910 1
1 90 . 7 1 1 A 17 17 ASP N N 17 121.885 120.685 1.200 1
1 91 . 7 1 1 A 18 18 ILE H H 18 8.259 8.597 -0.338 1
1 92 . 7 1 1 A 18 18 ILE HA H 18 3.889 3.873 0.016 1
1 102 . 7 1 1 A 18 18 ILE C C 18 178.346 177.190 1.156 1
1 103 . 7 1 1 A 18 18 ILE CA C 18 59.806 61.745 -1.939 1
1 104 . 7 1 1 A 18 18 ILE CB C 18 38.247 38.259 -0.012 1
1 108 . 7 1 1 A 18 18 ILE N N 18 118.184 124.419 -6.235 1
1 109 . 7 1 1 A 19 19 GLN H H 19 8.404 8.106 0.298 1
1 110 . 7 1 1 A 19 19 GLN HA H 19 4.199 4.124 0.075 1
1 117 . 7 1 1 A 19 19 GLN C C 19 175.287 174.260 1.027 1
1 118 . 7 1 1 A 19 19 GLN CA C 19 60.889 60.819 0.070 1
1 119 . 7 1 1 A 19 19 GLN CB C 19 26.552 26.791 -0.239 1
1 121 . 7 1 1 A 19 19 GLN N N 19 123.230 122.020 1.210 1
1 123 . 7 1 1 A 20 20 PRO HA H 20 4.217 4.257 -0.040 1
1 130 . 7 1 1 A 20 20 PRO C C 20 179.677 179.685 -0.008 1
1 131 . 7 1 1 A 20 20 PRO CA C 20 65.855 66.432 -0.577 1
1 132 . 7 1 1 A 20 20 PRO CB C 20 31.439 30.593 0.846 1
1 135 . 7 1 1 A 21 21 LEU H H 21 7.026 7.485 -0.459 1
1 136 . 7 1 1 A 21 21 LEU HA H 21 3.885 4.157 -0.272 1
1 146 . 7 1 1 A 21 21 LEU C C 21 177.599 178.532 -0.933 1
1 147 . 7 1 1 A 21 21 LEU CA C 21 58.435 57.362 1.073 1
1 148 . 7 1 1 A 21 21 LEU CB C 21 37.236 40.647 -3.411 1
1 152 . 7 1 1 A 21 21 LEU N N 21 116.369 116.969 -0.600 1
1 153 . 7 1 1 A 22 22 GLU H H 22 7.611 8.466 -0.855 1
1 154 . 7 1 1 A 22 22 GLU HA H 22 4.309 4.169 0.140 1
1 159 . 7 1 1 A 22 22 GLU C C 22 180.755 179.480 1.275 1
1 160 . 7 1 1 A 22 22 GLU CA C 22 59.887 59.957 -0.070 1
1 161 . 7 1 1 A 22 22 GLU CB C 22 29.715 29.408 0.307 1
1 163 . 7 1 1 A 22 22 GLU N N 22 119.345 119.088 0.257 1
1 164 . 7 1 1 A 23 23 ARG H H 23 8.662 8.208 0.454 1
1 165 . 7 1 1 A 23 23 ARG HA H 23 4.143 4.150 -0.007 1
1 172 . 7 1 1 A 23 23 ARG C C 23 179.115 178.927 0.188 1
1 173 . 7 1 1 A 23 23 ARG CA C 23 59.453 59.609 -0.156 1
1 174 . 7 1 1 A 23 23 ARG CB C 23 30.628 30.307 0.321 1
1 177 . 7 1 1 A 23 23 ARG N N 23 119.060 119.345 -0.285 1
1 178 . 7 1 1 A 24 24 TYR H H 24 7.798 7.976 -0.178 1
1 179 . 7 1 1 A 24 24 TYR HA H 24 4.349 4.546 -0.197 1
1 186 . 7 1 1 A 24 24 TYR C C 24 178.627 178.063 0.564 1
1 187 . 7 1 1 A 24 24 TYR CA C 24 61.883 61.801 0.082 1
1 188 . 7 1 1 A 24 24 TYR CB C 24 39.326 38.992 0.334 1
1 193 . 7 1 1 A 24 24 TYR N N 24 122.046 120.712 1.334 1
1 194 . 7 1 1 A 25 25 TRP H H 25 9.612 8.314 1.298 1
1 195 . 7 1 1 A 25 25 TRP HA H 25 4.680 4.488 0.192 1
1 204 . 7 1 1 A 25 25 TRP C C 25 178.218 178.998 -0.780 1
1 205 . 7 1 1 A 25 25 TRP CA C 25 60.775 61.202 -0.427 1
1 206 . 7 1 1 A 25 25 TRP CB C 25 29.956 29.932 0.024 1
1 212 . 7 1 1 A 25 25 TRP N N 25 121.351 121.638 -0.287 1
1 214 . 7 1 1 A 26 26 ALA H H 26 8.336 8.465 -0.129 1
1 215 . 7 1 1 A 26 26 ALA HA H 26 3.911 3.990 -0.079 1
1 219 . 7 1 1 A 26 26 ALA C C 26 178.850 179.044 -0.194 1
1 220 . 7 1 1 A 26 26 ALA CA C 26 54.720 53.816 0.904 1
1 221 . 7 1 1 A 26 26 ALA CB C 26 18.147 18.369 -0.222 1
1 222 . 7 1 1 A 26 26 ALA N N 26 118.991 121.168 -2.177 1
1 223 . 7 1 1 A 27 27 ALA H H 27 7.261 7.964 -0.703 1
1 224 . 7 1 1 A 27 27 ALA HA H 27 4.071 4.254 -0.183 1
1 228 . 7 1 1 A 27 27 ALA C C 27 178.433 178.984 -0.551 1
1 229 . 7 1 1 A 27 27 ALA CA C 27 53.440 54.015 -0.575 1
1 230 . 7 1 1 A 27 27 ALA CB C 27 18.789 19.787 -0.998 1
1 231 . 7 1 1 A 27 27 ALA N N 27 116.928 119.784 -2.856 1
1 232 . 7 1 1 A 28 28 HIS H H 28 7.810 8.213 -0.403 1
1 233 . 7 1 1 A 28 28 HIS HA H 28 4.574 4.446 0.128 1
1 238 . 7 1 1 A 28 28 HIS C C 28 175.351 174.793 0.558 1
1 239 . 7 1 1 A 28 28 HIS CA C 28 56.709 56.604 0.105 1
1 240 . 7 1 1 A 28 28 HIS CB C 28 31.928 30.552 1.376 1
1 243 . 7 1 1 A 28 28 HIS N N 28 113.337 112.473 0.864 1
1 244 . 7 1 1 A 29 29 GLN H H 29 8.811 7.916 0.895 1
1 245 . 7 1 1 A 29 29 GLN HA H 29 2.344 3.396 -1.052 1
1 251 . 7 1 1 A 29 29 GLN C C 29 173.677 174.467 -0.790 1
1 252 . 7 1 1 A 29 29 GLN CA C 29 57.111 56.588 0.523 1
1 253 . 7 1 1 A 29 29 GLN CB C 29 26.795 27.192 -0.397 1
1 255 . 7 1 1 A 29 29 GLN N N 29 115.607 118.376 -2.769 1
1 257 . 7 1 1 A 30 30 GLN H H 30 7.465 7.510 -0.045 1
1 258 . 7 1 1 A 30 30 GLN HA H 30 4.607 5.014 -0.407 1
1 265 . 7 1 1 A 30 30 GLN C C 30 173.052 173.460 -0.408 1
1 266 . 7 1 1 A 30 30 GLN CA C 30 54.807 54.824 -0.017 1
1 267 . 7 1 1 A 30 30 GLN CB C 30 30.766 31.957 -1.191 1
1 269 . 7 1 1 A 30 30 GLN N N 30 112.695 114.677 -1.982 1
1 271 . 7 1 1 A 31 31 LEU H H 31 8.805 8.750 0.055 1
1 272 . 7 1 1 A 31 31 LEU HA H 31 4.440 4.873 -0.433 1
1 282 . 7 1 1 A 31 31 LEU C C 31 176.017 175.047 0.970 1
1 283 . 7 1 1 A 31 31 LEU CA C 31 54.608 54.563 0.045 1
1 284 . 7 1 1 A 31 31 LEU CB C 31 42.819 43.923 -1.104 1
1 288 . 7 1 1 A 31 31 LEU N N 31 121.685 126.740 -5.055 1
1 289 . 7 1 1 A 32 32 ARG H H 32 7.422 8.716 -1.294 1
1 290 . 7 1 1 A 32 32 ARG HA H 32 4.574 4.776 -0.202 1
1 297 . 7 1 1 A 32 32 ARG C C 32 177.277 176.672 0.605 1
1 298 . 7 1 1 A 32 32 ARG CA C 32 55.071 53.942 1.129 1
1 299 . 7 1 1 A 32 32 ARG CB C 32 29.854 32.908 -3.054 1
1 302 . 7 1 1 A 32 32 ARG N N 32 126.338 125.460 0.878 1
1 303 . 7 1 1 A 33 33 GLU H H 33 9.164 9.070 0.094 1
1 304 . 7 1 1 A 33 33 GLU HA H 33 3.766 4.015 -0.249 1
1 309 . 7 1 1 A 33 33 GLU C C 33 178.939 178.501 0.438 1
1 310 . 7 1 1 A 33 33 GLU CA C 33 60.097 59.169 0.928 1
1 311 . 7 1 1 A 33 33 GLU CB C 33 29.340 29.285 0.055 1
1 313 . 7 1 1 A 33 33 GLU N N 33 126.822 122.712 4.110 1
1 314 . 7 1 1 A 34 34 THR H H 34 7.785 7.898 -0.113 1
1 315 . 7 1 1 A 34 34 THR HA H 34 4.055 4.050 0.005 1
1 320 . 7 1 1 A 34 34 THR C C 34 175.387 175.635 -0.248 1
1 321 . 7 1 1 A 34 34 THR CA C 34 63.631 65.006 -1.375 1
1 322 . 7 1 1 A 34 34 THR CB C 34 68.560 68.832 -0.272 1
1 324 . 7 1 1 A 34 34 THR N N 34 108.953 115.877 -6.924 1
1 325 . 7 1 1 A 35 35 ASP H H 35 7.841 7.818 0.023 1
1 326 . 7 1 1 A 35 35 ASP HA H 35 4.928 4.523 0.405 1
1 329 . 7 1 1 A 35 35 ASP C C 35 175.827 177.669 -1.842 1
1 330 . 7 1 1 A 35 35 ASP CA C 35 55.169 54.867 0.302 1
1 331 . 7 1 1 A 35 35 ASP CB C 35 41.057 41.306 -0.249 1
1 332 . 7 1 1 A 35 35 ASP N N 35 119.019 120.391 -1.372 1
1 333 . 7 1 1 A 36 36 ILE H H 36 7.388 7.671 -0.283 1
1 334 . 7 1 1 A 36 36 ILE HA H 36 3.495 3.687 -0.192 1
1 344 . 7 1 1 A 36 36 ILE C C 36 174.161 175.501 -1.340 1
1 345 . 7 1 1 A 36 36 ILE CA C 36 67.912 66.195 1.717 1
1 346 . 7 1 1 A 36 36 ILE CB C 36 35.457 35.122 0.335 1
1 350 . 7 1 1 A 36 36 ILE N N 36 119.567 121.073 -1.506 1
1 351 . 7 1 1 A 37 37 PRO HA H 37 4.232 4.349 -0.117 1
1 358 . 7 1 1 A 37 37 PRO C C 37 179.572 178.745 0.827 1
1 359 . 7 1 1 A 37 37 PRO CA C 37 66.890 65.248 1.642 1
1 360 . 7 1 1 A 37 37 PRO CB C 37 30.704 31.289 -0.585 1
1 363 . 7 1 1 A 38 38 GLN H H 38 7.837 8.070 -0.233 1
1 364 . 7 1 1 A 38 38 GLN HA H 38 4.143 4.061 0.082 1
1 371 . 7 1 1 A 38 38 GLN C C 38 178.918 178.184 0.734 1
1 372 . 7 1 1 A 38 38 GLN CA C 38 59.171 58.861 0.310 1
1 373 . 7 1 1 A 38 38 GLN CB C 38 27.986 28.500 -0.514 1
1 375 . 7 1 1 A 38 38 GLN N N 38 117.627 117.721 -0.094 1
1 377 . 7 1 1 A 39 39 LEU H H 39 7.991 8.257 -0.266 1
1 378 . 7 1 1 A 39 39 LEU HA H 39 3.995 3.945 0.050 1
1 388 . 7 1 1 A 39 39 LEU C C 39 180.831 178.698 2.133 1
1 389 . 7 1 1 A 39 39 LEU CA C 39 57.722 57.672 0.050 1
1 390 . 7 1 1 A 39 39 LEU CB C 39 42.314 41.363 0.951 1
1 394 . 7 1 1 A 39 39 LEU N N 39 121.128 120.273 0.855 1
1 395 . 7 1 1 A 40 40 SER H H 40 8.980 8.056 0.924 1
1 396 . 7 1 1 A 40 40 SER HA H 40 4.086 3.997 0.089 1
1 399 . 7 1 1 A 40 40 SER C C 40 176.517 176.972 -0.455 1
1 400 . 7 1 1 A 40 40 SER CA C 40 60.859 61.449 -0.590 1
1 401 . 7 1 1 A 40 40 SER CB C 40 63.255 62.893 0.362 1
1 402 . 7 1 1 A 40 40 SER N N 40 117.510 113.880 3.630 1
1 403 . 7 1 1 A 41 41 GLN H H 41 8.074 7.682 0.392 1
1 404 . 7 1 1 A 41 41 GLN HA H 41 4.014 4.141 -0.127 1
1 411 . 7 1 1 A 41 41 GLN C C 41 178.637 177.960 0.677 1
1 412 . 7 1 1 A 41 41 GLN CA C 41 58.955 57.748 1.207 1
1 413 . 7 1 1 A 41 41 GLN CB C 41 28.421 27.625 0.796 1
1 415 . 7 1 1 A 41 41 GLN N N 41 120.218 121.404 -1.186 1
1 417 . 7 1 1 A 42 42 ALA H H 42 8.149 7.851 0.298 1
1 418 . 7 1 1 A 42 42 ALA HA H 42 4.162 4.176 -0.014 1
1 422 . 7 1 1 A 42 42 ALA C C 42 178.442 180.043 -1.601 1
1 423 . 7 1 1 A 42 42 ALA CA C 42 54.567 55.008 -0.441 1
1 424 . 7 1 1 A 42 42 ALA CB C 42 19.202 18.678 0.524 1
1 425 . 7 1 1 A 42 42 ALA N N 42 118.903 123.054 -4.151 1
1 426 . 7 1 1 A 43 43 SER H H 43 7.784 8.175 -0.391 1
1 427 . 7 1 1 A 43 43 SER HA H 43 4.851 4.810 0.041 1
1 430 . 7 1 1 A 43 43 SER C C 43 175.304 173.123 2.181 1
1 431 . 7 1 1 A 43 43 SER CA C 43 59.180 58.067 1.113 1
1 432 . 7 1 1 A 43 43 SER CB C 43 66.897 63.079 3.818 1
1 433 . 7 1 1 A 43 43 SER N N 43 109.522 112.272 -2.750 1
1 434 . 7 1 1 A 44 44 ARG H H 44 7.799 7.829 -0.030 1
1 435 . 7 1 1 A 44 44 ARG HA H 44 3.872 3.843 0.029 1
1 441 . 7 1 1 A 44 44 ARG C C 44 175.312 174.541 0.771 1
1 442 . 7 1 1 A 44 44 ARG CA C 44 58.582 57.233 1.349 1
1 443 . 7 1 1 A 44 44 ARG CB C 44 26.661 26.928 -0.267 1
1 446 . 7 1 1 A 44 44 ARG N N 44 114.335 117.665 -3.330 1
1 447 . 7 1 1 A 45 45 LEU H H 45 7.759 7.630 0.129 1
1 448 . 7 1 1 A 45 45 LEU HA H 45 4.571 4.921 -0.350 1
1 458 . 7 1 1 A 45 45 LEU C C 45 177.069 176.311 0.758 1
1 459 . 7 1 1 A 45 45 LEU CA C 45 53.471 53.118 0.353 1
1 460 . 7 1 1 A 45 45 LEU CB C 45 43.845 44.851 -1.006 1
1 464 . 7 1 1 A 45 45 LEU N N 45 120.316 118.860 1.456 1
1 465 . 7 1 1 A 46 46 SER H H 46 9.062 8.653 0.409 1
1 466 . 7 1 1 A 46 46 SER HA H 46 4.446 4.892 -0.446 1
1 469 . 7 1 1 A 46 46 SER C C 46 174.731 176.216 -1.485 1
1 470 . 7 1 1 A 46 46 SER CA C 46 57.302 56.514 0.788 1
1 471 . 7 1 1 A 46 46 SER CB C 46 65.202 65.962 -0.760 1
1 472 . 7 1 1 A 46 46 SER N N 46 117.855 113.765 4.090 1
1 473 . 7 1 1 A 47 47 THR H H 47 8.770 8.861 -0.091 1
1 474 . 7 1 1 A 47 47 THR HA H 47 3.578 3.862 -0.284 1
1 479 . 7 1 1 A 47 47 THR C C 47 176.003 176.319 -0.316 1
1 480 . 7 1 1 A 47 47 THR CA C 47 67.477 65.772 1.705 1
1 481 . 7 1 1 A 47 47 THR CB C 47 68.317 68.631 -0.314 1
1 483 . 7 1 1 A 47 47 THR N N 47 115.428 117.333 -1.905 1
1 484 . 7 1 1 A 48 48 GLN H H 48 8.292 7.477 0.815 1
1 485 . 7 1 1 A 48 48 GLN HA H 48 3.890 4.043 -0.153 1
1 492 . 7 1 1 A 48 48 GLN C C 48 177.625 178.128 -0.503 1
1 493 . 7 1 1 A 48 48 GLN CA C 48 58.482 58.820 -0.338 1
1 494 . 7 1 1 A 48 48 GLN CB C 48 28.614 28.406 0.208 1
1 496 . 7 1 1 A 48 48 GLN N N 48 119.078 119.742 -0.664 1
1 498 . 7 1 1 A 49 49 GLN H H 49 7.765 8.031 -0.266 1
1 499 . 7 1 1 A 49 49 GLN HA H 49 4.153 3.954 0.199 1
1 506 . 7 1 1 A 49 49 GLN C C 49 180.153 178.805 1.348 1
1 507 . 7 1 1 A 49 49 GLN CA C 49 58.927 59.369 -0.442 1
1 508 . 7 1 1 A 49 49 GLN CB C 49 30.030 28.160 1.870 1
1 510 . 7 1 1 A 49 49 GLN N N 49 117.667 118.641 -0.974 1
1 512 . 7 1 1 A 50 50 VAL H H 50 8.465 7.891 0.574 1
1 513 . 7 1 1 A 50 50 VAL HA H 50 3.620 3.723 -0.103 1
1 521 . 7 1 1 A 50 50 VAL C C 50 177.691 178.257 -0.566 1
1 522 . 7 1 1 A 50 50 VAL CA C 50 67.588 66.391 1.197 1
1 523 . 7 1 1 A 50 50 VAL CB C 50 31.470 31.387 0.083 1
1 526 . 7 1 1 A 50 50 VAL N N 50 122.227 119.971 2.256 1
1 527 . 7 1 1 A 51 51 LEU H H 51 8.119 7.735 0.384 1
1 528 . 7 1 1 A 51 51 LEU HA H 51 3.975 3.936 0.039 1
1 538 . 7 1 1 A 51 51 LEU C C 51 179.950 178.945 1.005 1
1 539 . 7 1 1 A 51 51 LEU CA C 51 59.206 58.138 1.068 1
1 540 . 7 1 1 A 51 51 LEU CB C 51 41.515 41.217 0.298 1
1 544 . 7 1 1 A 51 51 LEU N N 51 120.724 120.292 0.432 1
1 545 . 7 1 1 A 52 52 ASP H H 52 8.780 8.238 0.542 1
1 546 . 7 1 1 A 52 52 ASP HA H 52 4.344 4.403 -0.059 1
1 549 . 7 1 1 A 52 52 ASP C C 52 178.654 178.458 0.196 1
1 550 . 7 1 1 A 52 52 ASP CA C 52 57.310 57.206 0.104 1
1 551 . 7 1 1 A 52 52 ASP CB C 52 40.418 40.706 -0.288 1
1 552 . 7 1 1 A 52 52 ASP N N 52 118.559 118.583 -0.024 1
1 553 . 7 1 1 A 53 53 TRP H H 53 8.180 8.005 0.175 1
1 554 . 7 1 1 A 53 53 TRP HA H 53 3.905 4.313 -0.408 1
1 563 . 7 1 1 A 53 53 TRP C C 53 180.216 177.878 2.338 1
1 564 . 7 1 1 A 53 53 TRP CA C 53 62.801 61.126 1.675 1
1 565 . 7 1 1 A 53 53 TRP CB C 53 29.117 30.549 -1.432 1
1 571 . 7 1 1 A 53 53 TRP N N 53 123.121 121.861 1.260 1
1 573 . 7 1 1 A 54 54 PHE H H 54 8.371 8.305 0.066 1
1 574 . 7 1 1 A 54 54 PHE HA H 54 3.786 4.005 -0.219 1
1 582 . 7 1 1 A 54 54 PHE C C 54 178.605 177.414 1.191 1
1 583 . 7 1 1 A 54 54 PHE CA C 54 63.242 61.811 1.431 1
1 584 . 7 1 1 A 54 54 PHE CB C 54 39.446 37.801 1.645 1
1 590 . 7 1 1 A 54 54 PHE N N 54 117.319 117.232 0.087 1
1 591 . 7 1 1 A 55 55 ASP H H 55 8.609 7.940 0.669 1
1 592 . 7 1 1 A 55 55 ASP HA H 55 4.499 4.483 0.016 1
1 595 . 7 1 1 A 55 55 ASP C C 55 177.993 177.438 0.555 1
1 596 . 7 1 1 A 55 55 ASP CA C 55 57.370 56.858 0.512 1
1 597 . 7 1 1 A 55 55 ASP CB C 55 41.096 41.403 -0.307 1
1 598 . 7 1 1 A 55 55 ASP N N 55 120.805 120.480 0.325 1
1 599 . 7 1 1 A 56 56 SER H H 56 7.450 7.661 -0.211 1
1 600 . 7 1 1 A 56 56 SER HA H 56 4.236 4.281 -0.045 1
1 603 . 7 1 1 A 56 56 SER C C 56 174.228 175.928 -1.700 1
1 604 . 7 1 1 A 56 56 SER CA C 56 59.538 60.028 -0.490 1
1 605 . 7 1 1 A 56 56 SER CB C 56 63.340 63.419 -0.079 1
1 606 . 7 1 1 A 56 56 SER N N 56 111.640 115.582 -3.942 1
1 607 . 7 1 1 A 57 57 ARG H H 57 7.061 7.972 -0.911 1
1 608 . 7 1 1 A 57 57 ARG HA H 57 3.803 4.128 -0.325 1
1 615 . 7 1 1 A 57 57 ARG C C 57 175.909 176.339 -0.430 1
1 616 . 7 1 1 A 57 57 ARG CA C 57 55.254 57.675 -2.421 1
1 617 . 7 1 1 A 57 57 ARG CB C 57 30.216 29.920 0.296 1
1 620 . 7 1 1 A 57 57 ARG N N 57 120.670 118.816 1.854 1
1 621 . 7 1 1 A 58 58 LEU H H 58 7.519 6.934 0.585 1
1 622 . 7 1 1 A 58 58 LEU HA H 58 4.611 4.803 -0.192 1
1 632 . 7 1 1 A 58 58 LEU C C 58 174.867 175.092 -0.225 1
1 633 . 7 1 1 A 58 58 LEU CA C 58 53.322 52.394 0.928 1
1 634 . 7 1 1 A 58 58 LEU CB C 58 41.891 42.732 -0.841 1
1 638 . 7 1 1 A 58 58 LEU N N 58 122.146 117.228 4.918 1
1 639 . 7 1 1 A 59 59 PRO HA H 59 4.489 4.715 -0.226 1
1 645 . 7 1 1 A 59 59 PRO C C 59 176.849 177.049 -0.200 1
1 646 . 7 1 1 A 59 59 PRO CA C 59 63.047 62.748 0.299 1
1 647 . 7 1 1 A 59 59 PRO CB C 59 32.066 31.624 0.442 1
1 650 . 7 1 1 A 60 60 GLN H H 60 8.496 8.322 0.174 1
1 651 . 7 1 1 A 60 60 GLN HA H 60 4.595 4.448 0.147 1
1 658 . 7 1 1 A 60 60 GLN C C 60 174.178 174.267 -0.089 1
1 659 . 7 1 1 A 60 60 GLN CA C 60 53.464 54.356 -0.892 1
1 660 . 7 1 1 A 60 60 GLN CB C 60 28.989 28.073 0.916 1
1 662 . 7 1 1 A 60 60 GLN N N 60 121.828 122.481 -0.653 1
1 664 . 7 1 1 A 61 61 PRO HA H 61 4.397 4.579 -0.182 1
1 670 . 7 1 1 A 61 61 PRO C C 61 176.634 176.954 -0.320 1
1 671 . 7 1 1 A 61 61 PRO CA C 61 63.150 62.624 0.526 1
1 672 . 7 1 1 A 61 61 PRO CB C 61 32.103 31.692 0.411 1
1 675 . 7 1 1 A 62 62 ALA H H 62 8.445 8.529 -0.084 1
1 676 . 7 1 1 A 62 62 ALA HA H 62 4.280 4.625 -0.345 1
1 680 . 7 1 1 A 62 62 ALA C C 62 177.871 176.145 1.726 1
1 681 . 7 1 1 A 62 62 ALA CA C 62 52.522 51.330 1.192 1
1 682 . 7 1 1 A 62 62 ALA CB C 62 19.309 19.921 -0.612 1
1 683 . 7 1 1 A 62 62 ALA N N 62 124.460 124.868 -0.408 1
1 684 . 7 1 1 A 63 63 GLU H H 63 8.410 7.708 0.702 1
1 685 . 7 1 1 A 63 63 GLU HA H 63 4.287 4.880 -0.593 1
1 689 . 7 1 1 A 63 63 GLU C C 63 176.521 176.133 0.388 1
1 690 . 7 1 1 A 63 63 GLU CA C 63 56.478 54.902 1.576 1
1 691 . 7 1 1 A 63 63 GLU CB C 63 30.371 34.186 -3.815 1
1 693 . 7 1 1 A 63 63 GLU N N 63 120.216 116.271 3.945 1
1 694 . 7 1 1 A 64 64 VAL H H 64 8.221 8.621 -0.400 1
1 695 . 7 1 1 A 64 64 VAL HA H 64 4.177 4.215 -0.038 1
1 703 . 7 1 1 A 64 64 VAL C C 64 176.179 175.088 1.091 1
1 704 . 7 1 1 A 64 64 VAL CA C 64 62.212 63.844 -1.632 1
1 705 . 7 1 1 A 64 64 VAL CB C 64 32.875 33.682 -0.807 1
1 708 . 7 1 1 A 64 64 VAL N N 64 121.436 123.594 -2.158 1
1 709 . 7 1 1 A 65 65 SER H H 65 8.421 8.019 0.402 1
1 710 . 7 1 1 A 65 65 SER HA H 65 4.500 4.835 -0.335 1
1 713 . 7 1 1 A 65 65 SER C C 65 174.560 174.710 -0.150 1
1 714 . 7 1 1 A 65 65 SER CA C 65 58.411 57.516 0.895 1
1 715 . 7 1 1 A 65 65 SER CB C 65 63.999 64.775 -0.776 1
1 716 . 7 1 1 A 65 65 SER N N 65 119.752 117.218 2.534 1
1 717 . 7 1 1 A 66 66 GLY H H 66 8.268 8.574 -0.306 1
1 718 . 7 1 1 A 66 66 GLY HA2 H 66 4.065 3.877 0.188 1
1 719 . 7 1 1 A 66 66 GLY HA3 H 66 4.191 3.878 0.313 1
1 720 . 7 1 1 A 66 66 GLY C C 66 171.744 173.357 -1.613 1
1 721 . 7 1 1 A 66 66 GLY CA C 66 44.679 46.282 -1.603 1
1 722 . 7 1 1 A 66 66 GLY N N 66 110.950 112.790 -1.840 1
1 723 . 7 1 1 A 67 67 PRO HA H 67 4.481 4.441 0.040 1
1 728 . 7 1 1 A 67 67 PRO C C 67 177.427 176.331 1.096 1
1 729 . 7 1 1 A 67 67 PRO CA C 67 63.264 62.907 0.357 1
1 730 . 7 1 1 A 67 67 PRO CB C 67 32.200 32.326 -0.126 1
1 733 . 7 1 1 A 68 68 SER H H 68 8.543 8.486 0.057 1
1 734 . 7 1 1 A 68 68 SER HA H 68 4.559 4.441 0.118 1
1 737 . 7 1 1 A 68 68 SER C C 68 174.726 174.960 -0.234 1
1 738 . 7 1 1 A 68 68 SER CA C 68 58.368 58.122 0.246 1
1 739 . 7 1 1 A 68 68 SER CB C 68 63.934 63.696 0.238 1
1 740 . 7 1 1 A 68 68 SER N N 68 116.507 118.450 -1.943 1
1 741 . 7 1 1 A 69 69 SER H H 69 8.349 9.253 -0.904 1
1 742 . 7 1 1 A 69 69 SER HA H 69 4.507 4.089 0.418 1
1 745 . 7 1 1 A 69 69 SER C C 69 173.960 173.763 0.197 1
1 746 . 7 1 1 A 69 69 SER CA C 69 58.355 59.224 -0.869 1
1 747 . 7 1 1 A 69 69 SER CB C 69 63.993 62.022 1.971 1
1 748 . 7 1 1 A 69 69 SER N N 69 117.971 123.377 -5.406 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.533 4.831 -0.298 1
1 4 . 8 1 1 A 6 6 SER C C 6 174.513 172.922 1.591 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.407 57.571 0.836 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.873 65.601 -1.728 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.204 8.424 -0.220 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 4.085 4.281 -0.196 1
1 9 . 8 1 1 A 7 7 GLY C C 7 171.507 171.399 0.108 1
1 10 . 8 1 1 A 7 7 GLY CA C 7 44.598 45.473 -0.875 1
1 11 . 8 1 1 A 7 7 GLY N N 7 110.772 109.403 1.369 1
1 12 . 8 1 1 A 8 8 PRO HA H 8 4.421 4.495 -0.074 1
1 17 . 8 1 1 A 8 8 PRO C C 8 176.943 176.835 0.108 1
1 18 . 8 1 1 A 8 8 PRO CA C 8 62.917 62.318 0.599 1
1 19 . 8 1 1 A 8 8 PRO CB C 8 32.101 32.845 -0.744 1
1 22 . 8 1 1 A 9 9 LEU H H 9 8.334 8.287 0.047 1
1 23 . 8 1 1 A 9 9 LEU HA H 9 4.584 4.380 0.204 1
1 33 . 8 1 1 A 9 9 LEU C C 9 175.412 176.235 -0.823 1
1 34 . 8 1 1 A 9 9 LEU CA C 9 53.030 53.695 -0.665 1
1 35 . 8 1 1 A 9 9 LEU CB C 9 41.804 42.173 -0.369 1
1 39 . 8 1 1 A 9 9 LEU N N 9 123.997 120.327 3.670 1
1 40 . 8 1 1 A 10 10 PRO HA H 10 4.425 4.557 -0.132 1
1 46 . 8 1 1 A 10 10 PRO C C 10 176.530 176.806 -0.276 1
1 47 . 8 1 1 A 10 10 PRO CA C 10 62.801 62.426 0.375 1
1 48 . 8 1 1 A 10 10 PRO CB C 10 31.871 32.303 -0.432 1
1 51 . 8 1 1 A 11 11 ILE H H 11 8.216 8.280 -0.064 1
1 52 . 8 1 1 A 11 11 ILE HA H 11 4.429 4.256 0.173 1
1 62 . 8 1 1 A 11 11 ILE C C 11 174.437 175.322 -0.885 1
1 63 . 8 1 1 A 11 11 ILE CA C 11 58.548 59.922 -1.374 1
1 64 . 8 1 1 A 11 11 ILE CB C 11 38.746 37.929 0.817 1
1 68 . 8 1 1 A 11 11 ILE N N 11 123.082 119.676 3.406 1
1 72 . 8 1 1 A 16 16 PRO HA H 16 4.575 4.585 -0.010 1
1 78 . 8 1 1 A 16 16 PRO C C 16 175.885 175.334 0.551 1
1 79 . 8 1 1 A 16 16 PRO CA C 16 63.146 62.580 0.566 1
1 80 . 8 1 1 A 16 16 PRO CB C 16 32.894 32.416 0.478 1
1 83 . 8 1 1 A 17 17 ASP H H 17 8.822 8.305 0.517 1
1 84 . 8 1 1 A 17 17 ASP HA H 17 4.832 4.821 0.011 1
1 87 . 8 1 1 A 17 17 ASP C C 17 174.878 176.307 -1.429 1
1 88 . 8 1 1 A 17 17 ASP CA C 17 52.473 52.853 -0.380 1
1 89 . 8 1 1 A 17 17 ASP CB C 17 42.755 41.441 1.314 1
1 90 . 8 1 1 A 17 17 ASP N N 17 121.885 120.012 1.873 1
1 91 . 8 1 1 A 18 18 ILE H H 18 8.259 8.606 -0.347 1
1 92 . 8 1 1 A 18 18 ILE HA H 18 3.889 3.946 -0.057 1
1 102 . 8 1 1 A 18 18 ILE C C 18 178.346 176.980 1.366 1
1 103 . 8 1 1 A 18 18 ILE CA C 18 59.806 61.548 -1.742 1
1 104 . 8 1 1 A 18 18 ILE CB C 18 38.247 38.355 -0.108 1
1 108 . 8 1 1 A 18 18 ILE N N 18 118.184 126.014 -7.830 1
1 109 . 8 1 1 A 19 19 GLN H H 19 8.404 7.802 0.602 1
1 110 . 8 1 1 A 19 19 GLN HA H 19 4.199 4.112 0.087 1
1 117 . 8 1 1 A 19 19 GLN C C 19 175.287 174.254 1.033 1
1 118 . 8 1 1 A 19 19 GLN CA C 19 60.889 60.828 0.061 1
1 119 . 8 1 1 A 19 19 GLN CB C 19 26.552 26.767 -0.215 1
1 121 . 8 1 1 A 19 19 GLN N N 19 123.230 122.261 0.969 1
1 123 . 8 1 1 A 20 20 PRO HA H 20 4.217 4.254 -0.037 1
1 130 . 8 1 1 A 20 20 PRO C C 20 179.677 179.683 -0.006 1
1 131 . 8 1 1 A 20 20 PRO CA C 20 65.855 66.432 -0.577 1
1 132 . 8 1 1 A 20 20 PRO CB C 20 31.439 30.596 0.843 1
1 135 . 8 1 1 A 21 21 LEU H H 21 7.026 7.505 -0.479 1
1 136 . 8 1 1 A 21 21 LEU HA H 21 3.885 4.107 -0.222 1
1 146 . 8 1 1 A 21 21 LEU C C 21 177.599 178.458 -0.859 1
1 147 . 8 1 1 A 21 21 LEU CA C 21 58.435 57.351 1.084 1
1 148 . 8 1 1 A 21 21 LEU CB C 21 37.236 40.725 -3.489 1
1 152 . 8 1 1 A 21 21 LEU N N 21 116.369 116.969 -0.600 1
1 153 . 8 1 1 A 22 22 GLU H H 22 7.611 8.484 -0.873 1
1 154 . 8 1 1 A 22 22 GLU HA H 22 4.309 4.076 0.233 1
1 159 . 8 1 1 A 22 22 GLU C C 22 180.755 179.402 1.353 1
1 160 . 8 1 1 A 22 22 GLU CA C 22 59.887 59.898 -0.011 1
1 161 . 8 1 1 A 22 22 GLU CB C 22 29.715 29.347 0.368 1
1 163 . 8 1 1 A 22 22 GLU N N 22 119.345 119.195 0.150 1
1 164 . 8 1 1 A 23 23 ARG H H 23 8.662 8.189 0.473 1
1 165 . 8 1 1 A 23 23 ARG HA H 23 4.143 4.136 0.007 1
1 172 . 8 1 1 A 23 23 ARG C C 23 179.115 178.710 0.405 1
1 173 . 8 1 1 A 23 23 ARG CA C 23 59.453 59.532 -0.079 1
1 174 . 8 1 1 A 23 23 ARG CB C 23 30.628 30.384 0.244 1
1 177 . 8 1 1 A 23 23 ARG N N 23 119.060 119.401 -0.341 1
1 178 . 8 1 1 A 24 24 TYR H H 24 7.798 7.924 -0.126 1
1 179 . 8 1 1 A 24 24 TYR HA H 24 4.349 4.468 -0.119 1
1 186 . 8 1 1 A 24 24 TYR C C 24 178.627 177.688 0.939 1
1 187 . 8 1 1 A 24 24 TYR CA C 24 61.883 61.735 0.148 1
1 188 . 8 1 1 A 24 24 TYR CB C 24 39.326 38.709 0.617 1
1 193 . 8 1 1 A 24 24 TYR N N 24 122.046 120.743 1.303 1
1 194 . 8 1 1 A 25 25 TRP H H 25 9.612 8.645 0.967 1
1 195 . 8 1 1 A 25 25 TRP HA H 25 4.680 4.530 0.150 1
1 204 . 8 1 1 A 25 25 TRP C C 25 178.218 178.848 -0.630 1
1 205 . 8 1 1 A 25 25 TRP CA C 25 60.775 61.335 -0.560 1
1 206 . 8 1 1 A 25 25 TRP CB C 25 29.956 29.517 0.439 1
1 212 . 8 1 1 A 25 25 TRP N N 25 121.351 121.693 -0.342 1
1 214 . 8 1 1 A 26 26 ALA H H 26 8.336 8.142 0.194 1
1 215 . 8 1 1 A 26 26 ALA HA H 26 3.911 3.938 -0.027 1
1 219 . 8 1 1 A 26 26 ALA C C 26 178.850 178.955 -0.105 1
1 220 . 8 1 1 A 26 26 ALA CA C 26 54.720 53.423 1.297 1
1 221 . 8 1 1 A 26 26 ALA CB C 26 18.147 18.249 -0.102 1
1 222 . 8 1 1 A 26 26 ALA N N 26 118.991 121.165 -2.174 1
1 223 . 8 1 1 A 27 27 ALA H H 27 7.261 7.520 -0.259 1
1 224 . 8 1 1 A 27 27 ALA HA H 27 4.071 4.182 -0.111 1
1 228 . 8 1 1 A 27 27 ALA C C 27 178.433 179.124 -0.691 1
1 229 . 8 1 1 A 27 27 ALA CA C 27 53.440 54.465 -1.025 1
1 230 . 8 1 1 A 27 27 ALA CB C 27 18.789 19.547 -0.758 1
1 231 . 8 1 1 A 27 27 ALA N N 27 116.928 119.820 -2.892 1
1 232 . 8 1 1 A 28 28 HIS H H 28 7.810 8.229 -0.419 1
1 233 . 8 1 1 A 28 28 HIS HA H 28 4.574 4.441 0.133 1
1 238 . 8 1 1 A 28 28 HIS C C 28 175.351 174.553 0.798 1
1 239 . 8 1 1 A 28 28 HIS CA C 28 56.709 56.369 0.340 1
1 240 . 8 1 1 A 28 28 HIS CB C 28 31.928 30.647 1.281 1
1 243 . 8 1 1 A 28 28 HIS N N 28 113.337 112.683 0.654 1
1 244 . 8 1 1 A 29 29 GLN H H 29 8.811 7.764 1.047 1
1 245 . 8 1 1 A 29 29 GLN HA H 29 2.344 3.398 -1.054 1
1 251 . 8 1 1 A 29 29 GLN C C 29 173.677 174.267 -0.590 1
1 252 . 8 1 1 A 29 29 GLN CA C 29 57.111 56.616 0.495 1
1 253 . 8 1 1 A 29 29 GLN CB C 29 26.795 25.790 1.005 1
1 255 . 8 1 1 A 29 29 GLN N N 29 115.607 115.813 -0.206 1
1 257 . 8 1 1 A 30 30 GLN H H 30 7.465 7.680 -0.215 1
1 258 . 8 1 1 A 30 30 GLN HA H 30 4.607 5.007 -0.400 1
1 265 . 8 1 1 A 30 30 GLN C C 30 173.052 173.771 -0.719 1
1 266 . 8 1 1 A 30 30 GLN CA C 30 54.807 54.975 -0.168 1
1 267 . 8 1 1 A 30 30 GLN CB C 30 30.766 31.813 -1.047 1
1 269 . 8 1 1 A 30 30 GLN N N 30 112.695 114.087 -1.392 1
1 271 . 8 1 1 A 31 31 LEU H H 31 8.805 8.950 -0.145 1
1 272 . 8 1 1 A 31 31 LEU HA H 31 4.440 4.616 -0.176 1
1 282 . 8 1 1 A 31 31 LEU C C 31 176.017 175.097 0.920 1
1 283 . 8 1 1 A 31 31 LEU CA C 31 54.608 54.907 -0.299 1
1 284 . 8 1 1 A 31 31 LEU CB C 31 42.819 43.309 -0.490 1
1 288 . 8 1 1 A 31 31 LEU N N 31 121.685 127.078 -5.393 1
1 289 . 8 1 1 A 32 32 ARG H H 32 7.422 8.618 -1.196 1
1 290 . 8 1 1 A 32 32 ARG HA H 32 4.574 4.750 -0.176 1
1 297 . 8 1 1 A 32 32 ARG C C 32 177.277 176.603 0.674 1
1 298 . 8 1 1 A 32 32 ARG CA C 32 55.071 54.010 1.061 1
1 299 . 8 1 1 A 32 32 ARG CB C 32 29.854 32.924 -3.070 1
1 302 . 8 1 1 A 32 32 ARG N N 32 126.338 125.492 0.846 1
1 303 . 8 1 1 A 33 33 GLU H H 33 9.164 9.082 0.082 1
1 304 . 8 1 1 A 33 33 GLU HA H 33 3.766 4.029 -0.263 1
1 309 . 8 1 1 A 33 33 GLU C C 33 178.939 177.961 0.978 1
1 310 . 8 1 1 A 33 33 GLU CA C 33 60.097 59.237 0.860 1
1 311 . 8 1 1 A 33 33 GLU CB C 33 29.340 29.310 0.030 1
1 313 . 8 1 1 A 33 33 GLU N N 33 126.822 123.072 3.750 1
1 314 . 8 1 1 A 34 34 THR H H 34 7.785 7.902 -0.117 1
1 315 . 8 1 1 A 34 34 THR HA H 34 4.055 4.071 -0.016 1
1 320 . 8 1 1 A 34 34 THR C C 34 175.387 175.443 -0.056 1
1 321 . 8 1 1 A 34 34 THR CA C 34 63.631 64.854 -1.223 1
1 322 . 8 1 1 A 34 34 THR CB C 34 68.560 68.801 -0.241 1
1 324 . 8 1 1 A 34 34 THR N N 34 108.953 113.485 -4.532 1
1 325 . 8 1 1 A 35 35 ASP H H 35 7.841 8.008 -0.167 1
1 326 . 8 1 1 A 35 35 ASP HA H 35 4.928 4.450 0.478 1
1 329 . 8 1 1 A 35 35 ASP C C 35 175.827 177.575 -1.748 1
1 330 . 8 1 1 A 35 35 ASP CA C 35 55.169 55.108 0.061 1
1 331 . 8 1 1 A 35 35 ASP CB C 35 41.057 41.269 -0.212 1
1 332 . 8 1 1 A 35 35 ASP N N 35 119.019 122.060 -3.041 1
1 333 . 8 1 1 A 36 36 ILE H H 36 7.388 7.731 -0.343 1
1 334 . 8 1 1 A 36 36 ILE HA H 36 3.495 3.604 -0.109 1
1 344 . 8 1 1 A 36 36 ILE C C 36 174.161 175.244 -1.083 1
1 345 . 8 1 1 A 36 36 ILE CA C 36 67.912 66.282 1.630 1
1 346 . 8 1 1 A 36 36 ILE CB C 36 35.457 35.581 -0.124 1
1 350 . 8 1 1 A 36 36 ILE N N 36 119.567 121.085 -1.518 1
1 351 . 8 1 1 A 37 37 PRO HA H 37 4.232 4.302 -0.070 1
1 358 . 8 1 1 A 37 37 PRO C C 37 179.572 178.723 0.849 1
1 359 . 8 1 1 A 37 37 PRO CA C 37 66.890 65.196 1.694 1
1 360 . 8 1 1 A 37 37 PRO CB C 37 30.704 30.807 -0.103 1
1 363 . 8 1 1 A 38 38 GLN H H 38 7.837 8.070 -0.233 1
1 364 . 8 1 1 A 38 38 GLN HA H 38 4.143 4.046 0.097 1
1 371 . 8 1 1 A 38 38 GLN C C 38 178.918 178.189 0.729 1
1 372 . 8 1 1 A 38 38 GLN CA C 38 59.171 58.842 0.329 1
1 373 . 8 1 1 A 38 38 GLN CB C 38 27.986 28.177 -0.191 1
1 375 . 8 1 1 A 38 38 GLN N N 38 117.627 117.387 0.240 1
1 377 . 8 1 1 A 39 39 LEU H H 39 7.991 8.212 -0.221 1
1 378 . 8 1 1 A 39 39 LEU HA H 39 3.995 3.973 0.022 1
1 388 . 8 1 1 A 39 39 LEU C C 39 180.831 178.902 1.929 1
1 389 . 8 1 1 A 39 39 LEU CA C 39 57.722 57.425 0.297 1
1 390 . 8 1 1 A 39 39 LEU CB C 39 42.314 41.584 0.730 1
1 394 . 8 1 1 A 39 39 LEU N N 39 121.128 119.546 1.582 1
1 395 . 8 1 1 A 40 40 SER H H 40 8.980 8.128 0.852 1
1 396 . 8 1 1 A 40 40 SER HA H 40 4.086 4.038 0.048 1
1 399 . 8 1 1 A 40 40 SER C C 40 176.517 177.054 -0.537 1
1 400 . 8 1 1 A 40 40 SER CA C 40 60.859 61.030 -0.171 1
1 401 . 8 1 1 A 40 40 SER CB C 40 63.255 62.973 0.282 1
1 402 . 8 1 1 A 40 40 SER N N 40 117.510 113.556 3.954 1
1 403 . 8 1 1 A 41 41 GLN H H 41 8.074 8.324 -0.250 1
1 404 . 8 1 1 A 41 41 GLN HA H 41 4.014 4.052 -0.038 1
1 411 . 8 1 1 A 41 41 GLN C C 41 178.637 177.994 0.643 1
1 412 . 8 1 1 A 41 41 GLN CA C 41 58.955 58.558 0.397 1
1 413 . 8 1 1 A 41 41 GLN CB C 41 28.421 28.349 0.072 1
1 415 . 8 1 1 A 41 41 GLN N N 41 120.218 119.788 0.430 1
1 417 . 8 1 1 A 42 42 ALA H H 42 8.149 7.868 0.281 1
1 418 . 8 1 1 A 42 42 ALA HA H 42 4.162 4.101 0.061 1
1 422 . 8 1 1 A 42 42 ALA C C 42 178.442 180.333 -1.891 1
1 423 . 8 1 1 A 42 42 ALA CA C 42 54.567 54.991 -0.424 1
1 424 . 8 1 1 A 42 42 ALA CB C 42 19.202 18.393 0.809 1
1 425 . 8 1 1 A 42 42 ALA N N 42 118.903 121.730 -2.827 1
1 426 . 8 1 1 A 43 43 SER H H 43 7.784 7.963 -0.179 1
1 427 . 8 1 1 A 43 43 SER HA H 43 4.851 4.827 0.024 1
1 430 . 8 1 1 A 43 43 SER C C 43 175.304 173.294 2.010 1
1 431 . 8 1 1 A 43 43 SER CA C 43 59.180 58.558 0.622 1
1 432 . 8 1 1 A 43 43 SER CB C 43 66.897 63.167 3.730 1
1 433 . 8 1 1 A 43 43 SER N N 43 109.522 113.658 -4.136 1
1 434 . 8 1 1 A 44 44 ARG H H 44 7.799 7.820 -0.021 1
1 435 . 8 1 1 A 44 44 ARG HA H 44 3.872 3.812 0.060 1
1 441 . 8 1 1 A 44 44 ARG C C 44 175.312 174.637 0.675 1
1 442 . 8 1 1 A 44 44 ARG CA C 44 58.582 57.125 1.457 1
1 443 . 8 1 1 A 44 44 ARG CB C 44 26.661 27.069 -0.408 1
1 446 . 8 1 1 A 44 44 ARG N N 44 114.335 118.238 -3.903 1
1 447 . 8 1 1 A 45 45 LEU H H 45 7.759 7.465 0.294 1
1 448 . 8 1 1 A 45 45 LEU HA H 45 4.571 4.857 -0.286 1
1 458 . 8 1 1 A 45 45 LEU C C 45 177.069 175.627 1.442 1
1 459 . 8 1 1 A 45 45 LEU CA C 45 53.471 53.245 0.226 1
1 460 . 8 1 1 A 45 45 LEU CB C 45 43.845 43.989 -0.144 1
1 464 . 8 1 1 A 45 45 LEU N N 45 120.316 118.851 1.465 1
1 465 . 8 1 1 A 46 46 SER H H 46 9.062 8.880 0.182 1
1 466 . 8 1 1 A 46 46 SER HA H 46 4.446 4.572 -0.126 1
1 469 . 8 1 1 A 46 46 SER C C 46 174.731 175.792 -1.061 1
1 470 . 8 1 1 A 46 46 SER CA C 46 57.302 58.588 -1.286 1
1 471 . 8 1 1 A 46 46 SER CB C 46 65.202 64.048 1.154 1
1 472 . 8 1 1 A 46 46 SER N N 46 117.855 116.634 1.221 1
1 473 . 8 1 1 A 47 47 THR H H 47 8.770 8.784 -0.014 1
1 474 . 8 1 1 A 47 47 THR HA H 47 3.578 3.849 -0.271 1
1 479 . 8 1 1 A 47 47 THR C C 47 176.003 176.361 -0.358 1
1 480 . 8 1 1 A 47 47 THR CA C 47 67.477 65.712 1.765 1
1 481 . 8 1 1 A 47 47 THR CB C 47 68.317 68.689 -0.372 1
1 483 . 8 1 1 A 47 47 THR N N 47 115.428 118.294 -2.866 1
1 484 . 8 1 1 A 48 48 GLN H H 48 8.292 7.925 0.367 1
1 485 . 8 1 1 A 48 48 GLN HA H 48 3.890 3.944 -0.054 1
1 492 . 8 1 1 A 48 48 GLN C C 48 177.625 178.132 -0.507 1
1 493 . 8 1 1 A 48 48 GLN CA C 48 58.482 58.997 -0.515 1
1 494 . 8 1 1 A 48 48 GLN CB C 48 28.614 28.490 0.124 1
1 496 . 8 1 1 A 48 48 GLN N N 48 119.078 119.880 -0.802 1
1 498 . 8 1 1 A 49 49 GLN H H 49 7.765 8.411 -0.646 1
1 499 . 8 1 1 A 49 49 GLN HA H 49 4.153 3.956 0.197 1
1 506 . 8 1 1 A 49 49 GLN C C 49 180.153 178.899 1.254 1
1 507 . 8 1 1 A 49 49 GLN CA C 49 58.927 59.372 -0.445 1
1 508 . 8 1 1 A 49 49 GLN CB C 49 30.030 28.218 1.812 1
1 510 . 8 1 1 A 49 49 GLN N N 49 117.667 118.614 -0.947 1
1 512 . 8 1 1 A 50 50 VAL H H 50 8.465 7.681 0.784 1
1 513 . 8 1 1 A 50 50 VAL HA H 50 3.620 3.792 -0.172 1
1 521 . 8 1 1 A 50 50 VAL C C 50 177.691 178.464 -0.773 1
1 522 . 8 1 1 A 50 50 VAL CA C 50 67.588 66.251 1.337 1
1 523 . 8 1 1 A 50 50 VAL CB C 50 31.470 31.446 0.024 1
1 526 . 8 1 1 A 50 50 VAL N N 50 122.227 119.848 2.379 1
1 527 . 8 1 1 A 51 51 LEU H H 51 8.119 7.837 0.282 1
1 528 . 8 1 1 A 51 51 LEU HA H 51 3.975 3.978 -0.003 1
1 538 . 8 1 1 A 51 51 LEU C C 51 179.950 179.117 0.833 1
1 539 . 8 1 1 A 51 51 LEU CA C 51 59.206 58.166 1.040 1
1 540 . 8 1 1 A 51 51 LEU CB C 51 41.515 41.106 0.409 1
1 544 . 8 1 1 A 51 51 LEU N N 51 120.724 120.131 0.593 1
1 545 . 8 1 1 A 52 52 ASP H H 52 8.780 8.310 0.470 1
1 546 . 8 1 1 A 52 52 ASP HA H 52 4.344 4.364 -0.020 1
1 549 . 8 1 1 A 52 52 ASP C C 52 178.654 178.468 0.186 1
1 550 . 8 1 1 A 52 52 ASP CA C 52 57.310 57.184 0.126 1
1 551 . 8 1 1 A 52 52 ASP CB C 52 40.418 40.554 -0.136 1
1 552 . 8 1 1 A 52 52 ASP N N 52 118.559 119.000 -0.441 1
1 553 . 8 1 1 A 53 53 TRP H H 53 8.180 8.440 -0.260 1
1 554 . 8 1 1 A 53 53 TRP HA H 53 3.905 4.289 -0.384 1
1 563 . 8 1 1 A 53 53 TRP C C 53 180.216 178.179 2.037 1
1 564 . 8 1 1 A 53 53 TRP CA C 53 62.801 61.084 1.717 1
1 565 . 8 1 1 A 53 53 TRP CB C 53 29.117 29.957 -0.840 1
1 571 . 8 1 1 A 53 53 TRP N N 53 123.121 121.782 1.339 1
1 573 . 8 1 1 A 54 54 PHE H H 54 8.371 8.381 -0.010 1
1 574 . 8 1 1 A 54 54 PHE HA H 54 3.786 3.964 -0.178 1
1 582 . 8 1 1 A 54 54 PHE C C 54 178.605 177.910 0.695 1
1 583 . 8 1 1 A 54 54 PHE CA C 54 63.242 61.963 1.279 1
1 584 . 8 1 1 A 54 54 PHE CB C 54 39.446 38.920 0.526 1
1 590 . 8 1 1 A 54 54 PHE N N 54 117.319 117.187 0.132 1
1 591 . 8 1 1 A 55 55 ASP H H 55 8.609 8.179 0.430 1
1 592 . 8 1 1 A 55 55 ASP HA H 55 4.499 4.325 0.174 1
1 595 . 8 1 1 A 55 55 ASP C C 55 177.993 178.516 -0.523 1
1 596 . 8 1 1 A 55 55 ASP CA C 55 57.370 57.274 0.096 1
1 597 . 8 1 1 A 55 55 ASP CB C 55 41.096 40.264 0.832 1
1 598 . 8 1 1 A 55 55 ASP N N 55 120.805 118.793 2.012 1
1 599 . 8 1 1 A 56 56 SER H H 56 7.450 8.190 -0.740 1
1 600 . 8 1 1 A 56 56 SER HA H 56 4.236 4.069 0.167 1
1 603 . 8 1 1 A 56 56 SER C C 56 174.228 177.181 -2.953 1
1 604 . 8 1 1 A 56 56 SER CA C 56 59.538 61.182 -1.644 1
1 605 . 8 1 1 A 56 56 SER CB C 56 63.340 62.847 0.493 1
1 606 . 8 1 1 A 56 56 SER N N 56 111.640 114.893 -3.253 1
1 607 . 8 1 1 A 57 57 ARG H H 57 7.061 7.145 -0.084 1
1 608 . 8 1 1 A 57 57 ARG HA H 57 3.803 3.973 -0.170 1
1 615 . 8 1 1 A 57 57 ARG C C 57 175.909 177.440 -1.531 1
1 616 . 8 1 1 A 57 57 ARG CA C 57 55.254 58.841 -3.587 1
1 617 . 8 1 1 A 57 57 ARG CB C 57 30.216 29.195 1.021 1
1 620 . 8 1 1 A 57 57 ARG N N 57 120.670 119.656 1.014 1
1 621 . 8 1 1 A 58 58 LEU H H 58 7.519 7.565 -0.046 1
1 622 . 8 1 1 A 58 58 LEU HA H 58 4.611 4.592 0.019 1
1 632 . 8 1 1 A 58 58 LEU C C 58 174.867 175.233 -0.366 1
1 633 . 8 1 1 A 58 58 LEU CA C 58 53.322 53.949 -0.627 1
1 634 . 8 1 1 A 58 58 LEU CB C 58 41.891 41.241 0.650 1
1 638 . 8 1 1 A 58 58 LEU N N 58 122.146 120.645 1.501 1
1 639 . 8 1 1 A 59 59 PRO HA H 59 4.489 4.750 -0.261 1
1 645 . 8 1 1 A 59 59 PRO C C 59 176.849 175.592 1.257 1
1 646 . 8 1 1 A 59 59 PRO CA C 59 63.047 62.402 0.645 1
1 647 . 8 1 1 A 59 59 PRO CB C 59 32.066 29.565 2.501 1
1 650 . 8 1 1 A 60 60 GLN H H 60 8.496 8.208 0.288 1
1 651 . 8 1 1 A 60 60 GLN HA H 60 4.595 5.114 -0.519 1
1 658 . 8 1 1 A 60 60 GLN C C 60 174.178 172.810 1.368 1
1 659 . 8 1 1 A 60 60 GLN CA C 60 53.464 53.159 0.305 1
1 660 . 8 1 1 A 60 60 GLN CB C 60 28.989 31.983 -2.994 1
1 662 . 8 1 1 A 60 60 GLN N N 60 121.828 117.465 4.363 1
1 664 . 8 1 1 A 61 61 PRO HA H 61 4.397 4.734 -0.337 1
1 670 . 8 1 1 A 61 61 PRO C C 61 176.634 176.208 0.426 1
1 671 . 8 1 1 A 61 61 PRO CA C 61 63.150 62.998 0.152 1
1 672 . 8 1 1 A 61 61 PRO CB C 61 32.103 31.638 0.465 1
1 675 . 8 1 1 A 62 62 ALA H H 62 8.445 8.432 0.013 1
1 676 . 8 1 1 A 62 62 ALA HA H 62 4.280 4.774 -0.494 1
1 680 . 8 1 1 A 62 62 ALA C C 62 177.871 175.802 2.069 1
1 681 . 8 1 1 A 62 62 ALA CA C 62 52.522 51.587 0.935 1
1 682 . 8 1 1 A 62 62 ALA CB C 62 19.309 22.896 -3.587 1
1 683 . 8 1 1 A 62 62 ALA N N 62 124.460 124.222 0.238 1
1 684 . 8 1 1 A 63 63 GLU H H 63 8.410 8.843 -0.433 1
1 685 . 8 1 1 A 63 63 GLU HA H 63 4.287 4.855 -0.568 1
1 689 . 8 1 1 A 63 63 GLU C C 63 176.521 175.602 0.919 1
1 690 . 8 1 1 A 63 63 GLU CA C 63 56.478 55.732 0.746 1
1 691 . 8 1 1 A 63 63 GLU CB C 63 30.371 30.482 -0.111 1
1 693 . 8 1 1 A 63 63 GLU N N 63 120.216 123.446 -3.230 1
1 694 . 8 1 1 A 64 64 VAL H H 64 8.221 8.650 -0.429 1
1 695 . 8 1 1 A 64 64 VAL HA H 64 4.177 4.714 -0.537 1
1 703 . 8 1 1 A 64 64 VAL C C 64 176.179 174.560 1.619 1
1 704 . 8 1 1 A 64 64 VAL CA C 64 62.212 60.193 2.019 1
1 705 . 8 1 1 A 64 64 VAL CB C 64 32.875 35.468 -2.593 1
1 708 . 8 1 1 A 64 64 VAL N N 64 121.436 122.204 -0.768 1
1 709 . 8 1 1 A 65 65 SER H H 65 8.421 8.627 -0.206 1
1 710 . 8 1 1 A 65 65 SER HA H 65 4.500 4.388 0.112 1
1 713 . 8 1 1 A 65 65 SER C C 65 174.560 174.566 -0.006 1
1 714 . 8 1 1 A 65 65 SER CA C 65 58.411 59.663 -1.252 1
1 715 . 8 1 1 A 65 65 SER CB C 65 63.999 64.287 -0.288 1
1 716 . 8 1 1 A 65 65 SER N N 65 119.752 122.403 -2.651 1
1 717 . 8 1 1 A 66 66 GLY H H 66 8.268 8.515 -0.247 1
1 718 . 8 1 1 A 66 66 GLY HA2 H 66 4.065 4.119 -0.054 1
1 719 . 8 1 1 A 66 66 GLY HA3 H 66 4.191 4.132 0.059 1
1 720 . 8 1 1 A 66 66 GLY C C 66 171.744 172.957 -1.213 1
1 721 . 8 1 1 A 66 66 GLY CA C 66 44.679 45.983 -1.304 1
1 722 . 8 1 1 A 66 66 GLY N N 66 110.950 111.035 -0.085 1
1 723 . 8 1 1 A 67 67 PRO HA H 67 4.481 4.629 -0.148 1
1 728 . 8 1 1 A 67 67 PRO C C 67 177.427 175.112 2.315 1
1 729 . 8 1 1 A 67 67 PRO CA C 67 63.264 62.733 0.531 1
1 730 . 8 1 1 A 67 67 PRO CB C 67 32.200 32.888 -0.688 1
1 733 . 8 1 1 A 68 68 SER H H 68 8.543 8.678 -0.135 1
1 734 . 8 1 1 A 68 68 SER HA H 68 4.559 4.972 -0.413 1
1 737 . 8 1 1 A 68 68 SER C C 68 174.726 173.295 1.431 1
1 738 . 8 1 1 A 68 68 SER CA C 68 58.368 56.707 1.661 1
1 739 . 8 1 1 A 68 68 SER CB C 68 63.934 66.219 -2.285 1
1 740 . 8 1 1 A 68 68 SER N N 68 116.507 116.507 0.000 1
1 741 . 8 1 1 A 69 69 SER H H 69 8.349 8.649 -0.300 1
1 742 . 8 1 1 A 69 69 SER HA H 69 4.507 4.454 0.053 1
1 745 . 8 1 1 A 69 69 SER C C 69 173.960 174.904 -0.944 1
1 746 . 8 1 1 A 69 69 SER CA C 69 58.355 60.272 -1.917 1
1 747 . 8 1 1 A 69 69 SER CB C 69 63.993 63.541 0.452 1
1 748 . 8 1 1 A 69 69 SER N N 69 117.971 120.618 -2.647 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.533 4.463 0.070 1
1 4 . 9 1 1 A 6 6 SER C C 6 174.513 175.438 -0.925 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.407 60.817 -2.410 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.873 63.764 0.109 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.204 8.058 0.146 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 4.085 3.829 0.256 1
1 9 . 9 1 1 A 7 7 GLY C C 7 171.507 173.952 -2.445 1
1 10 . 9 1 1 A 7 7 GLY CA C 7 44.598 46.861 -2.263 1
1 11 . 9 1 1 A 7 7 GLY N N 7 110.772 108.747 2.025 1
1 12 . 9 1 1 A 8 8 PRO HA H 8 4.421 4.617 -0.196 1
1 17 . 9 1 1 A 8 8 PRO C C 8 176.943 176.780 0.163 1
1 18 . 9 1 1 A 8 8 PRO CA C 8 62.917 62.834 0.083 1
1 19 . 9 1 1 A 8 8 PRO CB C 8 32.101 31.796 0.305 1
1 22 . 9 1 1 A 9 9 LEU H H 9 8.334 8.235 0.099 1
1 23 . 9 1 1 A 9 9 LEU HA H 9 4.584 4.737 -0.153 1
1 33 . 9 1 1 A 9 9 LEU C C 9 175.412 175.547 -0.135 1
1 34 . 9 1 1 A 9 9 LEU CA C 9 53.030 52.798 0.232 1
1 35 . 9 1 1 A 9 9 LEU CB C 9 41.804 42.325 -0.521 1
1 39 . 9 1 1 A 9 9 LEU N N 9 123.997 118.895 5.102 1
1 40 . 9 1 1 A 10 10 PRO HA H 10 4.425 4.545 -0.120 1
1 46 . 9 1 1 A 10 10 PRO C C 10 176.530 176.812 -0.282 1
1 47 . 9 1 1 A 10 10 PRO CA C 10 62.801 62.549 0.252 1
1 48 . 9 1 1 A 10 10 PRO CB C 10 31.871 32.179 -0.308 1
1 51 . 9 1 1 A 11 11 ILE H H 11 8.216 8.317 -0.101 1
1 52 . 9 1 1 A 11 11 ILE HA H 11 4.429 4.297 0.132 1
1 62 . 9 1 1 A 11 11 ILE C C 11 174.437 175.248 -0.811 1
1 63 . 9 1 1 A 11 11 ILE CA C 11 58.548 59.803 -1.255 1
1 64 . 9 1 1 A 11 11 ILE CB C 11 38.746 37.788 0.958 1
1 68 . 9 1 1 A 11 11 ILE N N 11 123.082 118.740 4.342 1
1 72 . 9 1 1 A 16 16 PRO HA H 16 4.575 4.551 0.024 1
1 78 . 9 1 1 A 16 16 PRO C C 16 175.885 175.076 0.809 1
1 79 . 9 1 1 A 16 16 PRO CA C 16 63.146 62.621 0.525 1
1 80 . 9 1 1 A 16 16 PRO CB C 16 32.894 32.316 0.578 1
1 83 . 9 1 1 A 17 17 ASP H H 17 8.822 8.314 0.508 1
1 84 . 9 1 1 A 17 17 ASP HA H 17 4.832 4.909 -0.077 1
1 87 . 9 1 1 A 17 17 ASP C C 17 174.878 176.058 -1.180 1
1 88 . 9 1 1 A 17 17 ASP CA C 17 52.473 53.618 -1.145 1
1 89 . 9 1 1 A 17 17 ASP CB C 17 42.755 41.576 1.179 1
1 90 . 9 1 1 A 17 17 ASP N N 17 121.885 120.659 1.226 1
1 91 . 9 1 1 A 18 18 ILE H H 18 8.259 8.572 -0.313 1
1 92 . 9 1 1 A 18 18 ILE HA H 18 3.889 3.958 -0.069 1
1 102 . 9 1 1 A 18 18 ILE C C 18 178.346 177.006 1.340 1
1 103 . 9 1 1 A 18 18 ILE CA C 18 59.806 61.564 -1.758 1
1 104 . 9 1 1 A 18 18 ILE CB C 18 38.247 38.379 -0.132 1
1 108 . 9 1 1 A 18 18 ILE N N 18 118.184 124.630 -6.446 1
1 109 . 9 1 1 A 19 19 GLN H H 19 8.404 8.019 0.385 1
1 110 . 9 1 1 A 19 19 GLN HA H 19 4.199 4.213 -0.014 1
1 117 . 9 1 1 A 19 19 GLN C C 19 175.287 174.480 0.807 1
1 118 . 9 1 1 A 19 19 GLN CA C 19 60.889 60.505 0.384 1
1 119 . 9 1 1 A 19 19 GLN CB C 19 26.552 27.666 -1.114 1
1 121 . 9 1 1 A 19 19 GLN N N 19 123.230 122.415 0.815 1
1 123 . 9 1 1 A 20 20 PRO HA H 20 4.217 4.275 -0.058 1
1 130 . 9 1 1 A 20 20 PRO C C 20 179.677 179.445 0.232 1
1 131 . 9 1 1 A 20 20 PRO CA C 20 65.855 66.097 -0.242 1
1 132 . 9 1 1 A 20 20 PRO CB C 20 31.439 30.691 0.748 1
1 135 . 9 1 1 A 21 21 LEU H H 21 7.026 7.467 -0.441 1
1 136 . 9 1 1 A 21 21 LEU HA H 21 3.885 4.145 -0.260 1
1 146 . 9 1 1 A 21 21 LEU C C 21 177.599 178.432 -0.833 1
1 147 . 9 1 1 A 21 21 LEU CA C 21 58.435 57.354 1.081 1
1 148 . 9 1 1 A 21 21 LEU CB C 21 37.236 40.971 -3.735 1
1 152 . 9 1 1 A 21 21 LEU N N 21 116.369 117.072 -0.703 1
1 153 . 9 1 1 A 22 22 GLU H H 22 7.611 8.205 -0.594 1
1 154 . 9 1 1 A 22 22 GLU HA H 22 4.309 4.167 0.142 1
1 159 . 9 1 1 A 22 22 GLU C C 22 180.755 179.256 1.499 1
1 160 . 9 1 1 A 22 22 GLU CA C 22 59.887 60.025 -0.138 1
1 161 . 9 1 1 A 22 22 GLU CB C 22 29.715 29.457 0.258 1
1 163 . 9 1 1 A 22 22 GLU N N 22 119.345 119.100 0.245 1
1 164 . 9 1 1 A 23 23 ARG H H 23 8.662 8.160 0.502 1
1 165 . 9 1 1 A 23 23 ARG HA H 23 4.143 4.139 0.004 1
1 172 . 9 1 1 A 23 23 ARG C C 23 179.115 178.672 0.443 1
1 173 . 9 1 1 A 23 23 ARG CA C 23 59.453 59.431 0.022 1
1 174 . 9 1 1 A 23 23 ARG CB C 23 30.628 30.288 0.340 1
1 177 . 9 1 1 A 23 23 ARG N N 23 119.060 119.456 -0.396 1
1 178 . 9 1 1 A 24 24 TYR H H 24 7.798 7.820 -0.022 1
1 179 . 9 1 1 A 24 24 TYR HA H 24 4.349 4.546 -0.197 1
1 186 . 9 1 1 A 24 24 TYR C C 24 178.627 177.650 0.977 1
1 187 . 9 1 1 A 24 24 TYR CA C 24 61.883 61.768 0.115 1
1 188 . 9 1 1 A 24 24 TYR CB C 24 39.326 38.708 0.618 1
1 193 . 9 1 1 A 24 24 TYR N N 24 122.046 120.641 1.405 1
1 194 . 9 1 1 A 25 25 TRP H H 25 9.612 8.734 0.878 1
1 195 . 9 1 1 A 25 25 TRP HA H 25 4.680 4.433 0.247 1
1 204 . 9 1 1 A 25 25 TRP C C 25 178.218 178.405 -0.187 1
1 205 . 9 1 1 A 25 25 TRP CA C 25 60.775 61.340 -0.565 1
1 206 . 9 1 1 A 25 25 TRP CB C 25 29.956 29.532 0.424 1
1 212 . 9 1 1 A 25 25 TRP N N 25 121.351 121.876 -0.525 1
1 214 . 9 1 1 A 26 26 ALA H H 26 8.336 8.080 0.256 1
1 215 . 9 1 1 A 26 26 ALA HA H 26 3.911 3.914 -0.003 1
1 219 . 9 1 1 A 26 26 ALA C C 26 178.850 178.620 0.230 1
1 220 . 9 1 1 A 26 26 ALA CA C 26 54.720 53.351 1.369 1
1 221 . 9 1 1 A 26 26 ALA CB C 26 18.147 18.318 -0.171 1
1 222 . 9 1 1 A 26 26 ALA N N 26 118.991 121.195 -2.204 1
1 223 . 9 1 1 A 27 27 ALA H H 27 7.261 7.528 -0.267 1
1 224 . 9 1 1 A 27 27 ALA HA H 27 4.071 4.126 -0.055 1
1 228 . 9 1 1 A 27 27 ALA C C 27 178.433 179.095 -0.662 1
1 229 . 9 1 1 A 27 27 ALA CA C 27 53.440 54.520 -1.080 1
1 230 . 9 1 1 A 27 27 ALA CB C 27 18.789 19.267 -0.478 1
1 231 . 9 1 1 A 27 27 ALA N N 27 116.928 120.317 -3.389 1
1 232 . 9 1 1 A 28 28 HIS H H 28 7.810 8.106 -0.296 1
1 233 . 9 1 1 A 28 28 HIS HA H 28 4.574 4.457 0.117 1
1 238 . 9 1 1 A 28 28 HIS C C 28 175.351 174.712 0.639 1
1 239 . 9 1 1 A 28 28 HIS CA C 28 56.709 56.266 0.443 1
1 240 . 9 1 1 A 28 28 HIS CB C 28 31.928 30.768 1.160 1
1 243 . 9 1 1 A 28 28 HIS N N 28 113.337 111.934 1.403 1
1 244 . 9 1 1 A 29 29 GLN H H 29 8.811 7.532 1.279 1
1 245 . 9 1 1 A 29 29 GLN HA H 29 2.344 3.478 -1.134 1
1 251 . 9 1 1 A 29 29 GLN C C 29 173.677 174.008 -0.331 1
1 252 . 9 1 1 A 29 29 GLN CA C 29 57.111 56.651 0.460 1
1 253 . 9 1 1 A 29 29 GLN CB C 29 26.795 25.849 0.946 1
1 255 . 9 1 1 A 29 29 GLN N N 29 115.607 115.637 -0.030 1
1 257 . 9 1 1 A 30 30 GLN H H 30 7.465 7.559 -0.094 1
1 258 . 9 1 1 A 30 30 GLN HA H 30 4.607 4.951 -0.344 1
1 265 . 9 1 1 A 30 30 GLN C C 30 173.052 174.328 -1.276 1
1 266 . 9 1 1 A 30 30 GLN CA C 30 54.807 54.904 -0.097 1
1 267 . 9 1 1 A 30 30 GLN CB C 30 30.766 32.370 -1.604 1
1 269 . 9 1 1 A 30 30 GLN N N 30 112.695 117.241 -4.546 1
1 271 . 9 1 1 A 31 31 LEU H H 31 8.805 8.828 -0.023 1
1 272 . 9 1 1 A 31 31 LEU HA H 31 4.440 4.991 -0.551 1
1 282 . 9 1 1 A 31 31 LEU C C 31 176.017 174.891 1.126 1
1 283 . 9 1 1 A 31 31 LEU CA C 31 54.608 54.486 0.122 1
1 284 . 9 1 1 A 31 31 LEU CB C 31 42.819 43.945 -1.126 1
1 288 . 9 1 1 A 31 31 LEU N N 31 121.685 127.317 -5.632 1
1 289 . 9 1 1 A 32 32 ARG H H 32 7.422 8.800 -1.378 1
1 290 . 9 1 1 A 32 32 ARG HA H 32 4.574 4.838 -0.264 1
1 297 . 9 1 1 A 32 32 ARG C C 32 177.277 176.610 0.667 1
1 298 . 9 1 1 A 32 32 ARG CA C 32 55.071 53.951 1.120 1
1 299 . 9 1 1 A 32 32 ARG CB C 32 29.854 33.037 -3.183 1
1 302 . 9 1 1 A 32 32 ARG N N 32 126.338 125.673 0.665 1
1 303 . 9 1 1 A 33 33 GLU H H 33 9.164 9.021 0.143 1
1 304 . 9 1 1 A 33 33 GLU HA H 33 3.766 3.986 -0.220 1
1 309 . 9 1 1 A 33 33 GLU C C 33 178.939 178.621 0.318 1
1 310 . 9 1 1 A 33 33 GLU CA C 33 60.097 59.271 0.826 1
1 311 . 9 1 1 A 33 33 GLU CB C 33 29.340 29.273 0.067 1
1 313 . 9 1 1 A 33 33 GLU N N 33 126.822 123.588 3.234 1
1 314 . 9 1 1 A 34 34 THR H H 34 7.785 7.947 -0.162 1
1 315 . 9 1 1 A 34 34 THR HA H 34 4.055 3.981 0.074 1
1 320 . 9 1 1 A 34 34 THR C C 34 175.387 176.602 -1.215 1
1 321 . 9 1 1 A 34 34 THR CA C 34 63.631 65.438 -1.807 1
1 322 . 9 1 1 A 34 34 THR CB C 34 68.560 68.599 -0.039 1
1 324 . 9 1 1 A 34 34 THR N N 34 108.953 115.961 -7.008 1
1 325 . 9 1 1 A 35 35 ASP H H 35 7.841 8.431 -0.590 1
1 326 . 9 1 1 A 35 35 ASP HA H 35 4.928 4.277 0.651 1
1 329 . 9 1 1 A 35 35 ASP C C 35 175.827 178.037 -2.210 1
1 330 . 9 1 1 A 35 35 ASP CA C 35 55.169 55.251 -0.082 1
1 331 . 9 1 1 A 35 35 ASP CB C 35 41.057 40.343 0.714 1
1 332 . 9 1 1 A 35 35 ASP N N 35 119.019 119.715 -0.696 1
1 333 . 9 1 1 A 36 36 ILE H H 36 7.388 7.750 -0.362 1
1 334 . 9 1 1 A 36 36 ILE HA H 36 3.495 3.602 -0.107 1
1 344 . 9 1 1 A 36 36 ILE C C 36 174.161 175.003 -0.842 1
1 345 . 9 1 1 A 36 36 ILE CA C 36 67.912 66.345 1.567 1
1 346 . 9 1 1 A 36 36 ILE CB C 36 35.457 35.733 -0.276 1
1 350 . 9 1 1 A 36 36 ILE N N 36 119.567 120.697 -1.130 1
1 351 . 9 1 1 A 37 37 PRO HA H 37 4.232 4.238 -0.006 1
1 358 . 9 1 1 A 37 37 PRO C C 37 179.572 178.798 0.774 1
1 359 . 9 1 1 A 37 37 PRO CA C 37 66.890 66.058 0.832 1
1 360 . 9 1 1 A 37 37 PRO CB C 37 30.704 30.529 0.175 1
1 363 . 9 1 1 A 38 38 GLN H H 38 7.837 8.059 -0.222 1
1 364 . 9 1 1 A 38 38 GLN HA H 38 4.143 4.029 0.114 1
1 371 . 9 1 1 A 38 38 GLN C C 38 178.918 178.249 0.669 1
1 372 . 9 1 1 A 38 38 GLN CA C 38 59.171 58.881 0.290 1
1 373 . 9 1 1 A 38 38 GLN CB C 38 27.986 28.185 -0.199 1
1 375 . 9 1 1 A 38 38 GLN N N 38 117.627 117.486 0.141 1
1 377 . 9 1 1 A 39 39 LEU H H 39 7.991 8.264 -0.273 1
1 378 . 9 1 1 A 39 39 LEU HA H 39 3.995 3.988 0.007 1
1 388 . 9 1 1 A 39 39 LEU C C 39 180.831 178.717 2.114 1
1 389 . 9 1 1 A 39 39 LEU CA C 39 57.722 57.541 0.181 1
1 390 . 9 1 1 A 39 39 LEU CB C 39 42.314 41.351 0.963 1
1 394 . 9 1 1 A 39 39 LEU N N 39 121.128 119.729 1.399 1
1 395 . 9 1 1 A 40 40 SER H H 40 8.980 8.077 0.903 1
1 396 . 9 1 1 A 40 40 SER HA H 40 4.086 3.967 0.119 1
1 399 . 9 1 1 A 40 40 SER C C 40 176.517 177.212 -0.695 1
1 400 . 9 1 1 A 40 40 SER CA C 40 60.859 61.544 -0.685 1
1 401 . 9 1 1 A 40 40 SER CB C 40 63.255 62.703 0.552 1
1 402 . 9 1 1 A 40 40 SER N N 40 117.510 113.820 3.690 1
1 403 . 9 1 1 A 41 41 GLN H H 41 8.074 7.799 0.275 1
1 404 . 9 1 1 A 41 41 GLN HA H 41 4.014 4.092 -0.078 1
1 411 . 9 1 1 A 41 41 GLN C C 41 178.637 178.181 0.456 1
1 412 . 9 1 1 A 41 41 GLN CA C 41 58.955 58.348 0.607 1
1 413 . 9 1 1 A 41 41 GLN CB C 41 28.421 28.174 0.247 1
1 415 . 9 1 1 A 41 41 GLN N N 41 120.218 121.378 -1.160 1
1 417 . 9 1 1 A 42 42 ALA H H 42 8.149 7.870 0.279 1
1 418 . 9 1 1 A 42 42 ALA HA H 42 4.162 4.157 0.005 1
1 422 . 9 1 1 A 42 42 ALA C C 42 178.442 180.103 -1.661 1
1 423 . 9 1 1 A 42 42 ALA CA C 42 54.567 54.963 -0.396 1
1 424 . 9 1 1 A 42 42 ALA CB C 42 19.202 18.692 0.510 1
1 425 . 9 1 1 A 42 42 ALA N N 42 118.903 122.704 -3.801 1
1 426 . 9 1 1 A 43 43 SER H H 43 7.784 8.054 -0.270 1
1 427 . 9 1 1 A 43 43 SER HA H 43 4.851 4.821 0.030 1
1 430 . 9 1 1 A 43 43 SER C C 43 175.304 173.142 2.162 1
1 431 . 9 1 1 A 43 43 SER CA C 43 59.180 58.071 1.109 1
1 432 . 9 1 1 A 43 43 SER CB C 43 66.897 63.079 3.818 1
1 433 . 9 1 1 A 43 43 SER N N 43 109.522 112.869 -3.347 1
1 434 . 9 1 1 A 44 44 ARG H H 44 7.799 7.825 -0.026 1
1 435 . 9 1 1 A 44 44 ARG HA H 44 3.872 3.834 0.038 1
1 441 . 9 1 1 A 44 44 ARG C C 44 175.312 174.537 0.775 1
1 442 . 9 1 1 A 44 44 ARG CA C 44 58.582 57.253 1.329 1
1 443 . 9 1 1 A 44 44 ARG CB C 44 26.661 26.933 -0.272 1
1 446 . 9 1 1 A 44 44 ARG N N 44 114.335 117.578 -3.243 1
1 447 . 9 1 1 A 45 45 LEU H H 45 7.759 7.505 0.254 1
1 448 . 9 1 1 A 45 45 LEU HA H 45 4.571 4.904 -0.333 1
1 458 . 9 1 1 A 45 45 LEU C C 45 177.069 176.292 0.777 1
1 459 . 9 1 1 A 45 45 LEU CA C 45 53.471 53.203 0.268 1
1 460 . 9 1 1 A 45 45 LEU CB C 45 43.845 44.556 -0.711 1
1 464 . 9 1 1 A 45 45 LEU N N 45 120.316 118.812 1.504 1
1 465 . 9 1 1 A 46 46 SER H H 46 9.062 8.809 0.253 1
1 466 . 9 1 1 A 46 46 SER HA H 46 4.446 4.854 -0.408 1
1 469 . 9 1 1 A 46 46 SER C C 46 174.731 176.195 -1.464 1
1 470 . 9 1 1 A 46 46 SER CA C 46 57.302 57.005 0.297 1
1 471 . 9 1 1 A 46 46 SER CB C 46 65.202 65.115 0.087 1
1 472 . 9 1 1 A 46 46 SER N N 46 117.855 113.940 3.915 1
1 473 . 9 1 1 A 47 47 THR H H 47 8.770 8.769 0.001 1
1 474 . 9 1 1 A 47 47 THR HA H 47 3.578 3.844 -0.266 1
1 479 . 9 1 1 A 47 47 THR C C 47 176.003 176.102 -0.099 1
1 480 . 9 1 1 A 47 47 THR CA C 47 67.477 66.039 1.438 1
1 481 . 9 1 1 A 47 47 THR CB C 47 68.317 68.834 -0.517 1
1 483 . 9 1 1 A 47 47 THR N N 47 115.428 117.487 -2.059 1
1 484 . 9 1 1 A 48 48 GLN H H 48 8.292 7.866 0.426 1
1 485 . 9 1 1 A 48 48 GLN HA H 48 3.890 3.961 -0.071 1
1 492 . 9 1 1 A 48 48 GLN C C 48 177.625 178.033 -0.408 1
1 493 . 9 1 1 A 48 48 GLN CA C 48 58.482 59.009 -0.527 1
1 494 . 9 1 1 A 48 48 GLN CB C 48 28.614 28.591 0.023 1
1 496 . 9 1 1 A 48 48 GLN N N 48 119.078 119.977 -0.899 1
1 498 . 9 1 1 A 49 49 GLN H H 49 7.765 8.368 -0.603 1
1 499 . 9 1 1 A 49 49 GLN HA H 49 4.153 3.962 0.191 1
1 506 . 9 1 1 A 49 49 GLN C C 49 180.153 178.949 1.204 1
1 507 . 9 1 1 A 49 49 GLN CA C 49 58.927 59.336 -0.409 1
1 508 . 9 1 1 A 49 49 GLN CB C 49 30.030 28.251 1.779 1
1 510 . 9 1 1 A 49 49 GLN N N 49 117.667 118.664 -0.997 1
1 512 . 9 1 1 A 50 50 VAL H H 50 8.465 7.716 0.749 1
1 513 . 9 1 1 A 50 50 VAL HA H 50 3.620 3.773 -0.153 1
1 521 . 9 1 1 A 50 50 VAL C C 50 177.691 178.209 -0.518 1
1 522 . 9 1 1 A 50 50 VAL CA C 50 67.588 66.328 1.260 1
1 523 . 9 1 1 A 50 50 VAL CB C 50 31.470 31.352 0.118 1
1 526 . 9 1 1 A 50 50 VAL N N 50 122.227 120.062 2.165 1
1 527 . 9 1 1 A 51 51 LEU H H 51 8.119 7.730 0.389 1
1 528 . 9 1 1 A 51 51 LEU HA H 51 3.975 3.930 0.045 1
1 538 . 9 1 1 A 51 51 LEU C C 51 179.950 179.185 0.765 1
1 539 . 9 1 1 A 51 51 LEU CA C 51 59.206 58.143 1.063 1
1 540 . 9 1 1 A 51 51 LEU CB C 51 41.515 41.073 0.442 1
1 544 . 9 1 1 A 51 51 LEU N N 51 120.724 120.186 0.538 1
1 545 . 9 1 1 A 52 52 ASP H H 52 8.780 8.093 0.687 1
1 546 . 9 1 1 A 52 52 ASP HA H 52 4.344 4.402 -0.058 1
1 549 . 9 1 1 A 52 52 ASP C C 52 178.654 178.542 0.112 1
1 550 . 9 1 1 A 52 52 ASP CA C 52 57.310 57.141 0.169 1
1 551 . 9 1 1 A 52 52 ASP CB C 52 40.418 40.598 -0.180 1
1 552 . 9 1 1 A 52 52 ASP N N 52 118.559 119.002 -0.443 1
1 553 . 9 1 1 A 53 53 TRP H H 53 8.180 8.338 -0.158 1
1 554 . 9 1 1 A 53 53 TRP HA H 53 3.905 4.384 -0.479 1
1 563 . 9 1 1 A 53 53 TRP C C 53 180.216 178.437 1.779 1
1 564 . 9 1 1 A 53 53 TRP CA C 53 62.801 61.102 1.699 1
1 565 . 9 1 1 A 53 53 TRP CB C 53 29.117 30.005 -0.888 1
1 571 . 9 1 1 A 53 53 TRP N N 53 123.121 121.803 1.318 1
1 573 . 9 1 1 A 54 54 PHE H H 54 8.371 8.442 -0.071 1
1 574 . 9 1 1 A 54 54 PHE HA H 54 3.786 3.996 -0.210 1
1 582 . 9 1 1 A 54 54 PHE C C 54 178.605 177.803 0.802 1
1 583 . 9 1 1 A 54 54 PHE CA C 54 63.242 61.621 1.621 1
1 584 . 9 1 1 A 54 54 PHE CB C 54 39.446 38.519 0.927 1
1 590 . 9 1 1 A 54 54 PHE N N 54 117.319 117.680 -0.361 1
1 591 . 9 1 1 A 55 55 ASP H H 55 8.609 8.034 0.575 1
1 592 . 9 1 1 A 55 55 ASP HA H 55 4.499 4.419 0.080 1
1 595 . 9 1 1 A 55 55 ASP C C 55 177.993 178.440 -0.447 1
1 596 . 9 1 1 A 55 55 ASP CA C 55 57.370 57.392 -0.022 1
1 597 . 9 1 1 A 55 55 ASP CB C 55 41.096 42.208 -1.112 1
1 598 . 9 1 1 A 55 55 ASP N N 55 120.805 119.699 1.106 1
1 599 . 9 1 1 A 56 56 SER H H 56 7.450 7.926 -0.476 1
1 600 . 9 1 1 A 56 56 SER HA H 56 4.236 4.092 0.144 1
1 603 . 9 1 1 A 56 56 SER C C 56 174.228 177.126 -2.898 1
1 604 . 9 1 1 A 56 56 SER CA C 56 59.538 61.060 -1.522 1
1 605 . 9 1 1 A 56 56 SER CB C 56 63.340 62.981 0.359 1
1 606 . 9 1 1 A 56 56 SER N N 56 111.640 114.211 -2.571 1
1 607 . 9 1 1 A 57 57 ARG H H 57 7.061 7.379 -0.318 1
1 608 . 9 1 1 A 57 57 ARG HA H 57 3.803 3.829 -0.026 1
1 615 . 9 1 1 A 57 57 ARG C C 57 175.909 177.132 -1.223 1
1 616 . 9 1 1 A 57 57 ARG CA C 57 55.254 58.690 -3.436 1
1 617 . 9 1 1 A 57 57 ARG CB C 57 30.216 29.129 1.087 1
1 620 . 9 1 1 A 57 57 ARG N N 57 120.670 119.322 1.348 1
1 621 . 9 1 1 A 58 58 LEU H H 58 7.519 7.134 0.385 1
1 622 . 9 1 1 A 58 58 LEU HA H 58 4.611 4.402 0.209 1
1 632 . 9 1 1 A 58 58 LEU C C 58 174.867 175.173 -0.306 1
1 633 . 9 1 1 A 58 58 LEU CA C 58 53.322 54.085 -0.763 1
1 634 . 9 1 1 A 58 58 LEU CB C 58 41.891 41.451 0.440 1
1 638 . 9 1 1 A 58 58 LEU N N 58 122.146 121.222 0.924 1
1 639 . 9 1 1 A 59 59 PRO HA H 59 4.489 4.725 -0.236 1
1 645 . 9 1 1 A 59 59 PRO C C 59 176.849 176.385 0.464 1
1 646 . 9 1 1 A 59 59 PRO CA C 59 63.047 62.661 0.386 1
1 647 . 9 1 1 A 59 59 PRO CB C 59 32.066 30.669 1.397 1
1 650 . 9 1 1 A 60 60 GLN H H 60 8.496 7.690 0.806 1
1 651 . 9 1 1 A 60 60 GLN HA H 60 4.595 4.737 -0.142 1
1 658 . 9 1 1 A 60 60 GLN C C 60 174.178 174.079 0.099 1
1 659 . 9 1 1 A 60 60 GLN CA C 60 53.464 53.789 -0.325 1
1 660 . 9 1 1 A 60 60 GLN CB C 60 28.989 29.754 -0.765 1
1 662 . 9 1 1 A 60 60 GLN N N 60 121.828 117.916 3.912 1
1 664 . 9 1 1 A 61 61 PRO HA H 61 4.397 4.724 -0.327 1
1 670 . 9 1 1 A 61 61 PRO C C 61 176.634 175.807 0.827 1
1 671 . 9 1 1 A 61 61 PRO CA C 61 63.150 62.659 0.491 1
1 672 . 9 1 1 A 61 61 PRO CB C 61 32.103 30.271 1.832 1
1 675 . 9 1 1 A 62 62 ALA H H 62 8.445 7.920 0.525 1
1 676 . 9 1 1 A 62 62 ALA HA H 62 4.280 4.735 -0.455 1
1 680 . 9 1 1 A 62 62 ALA C C 62 177.871 175.730 2.141 1
1 681 . 9 1 1 A 62 62 ALA CA C 62 52.522 50.991 1.531 1
1 682 . 9 1 1 A 62 62 ALA CB C 62 19.309 23.583 -4.274 1
1 683 . 9 1 1 A 62 62 ALA N N 62 124.460 124.378 0.082 1
1 684 . 9 1 1 A 63 63 GLU H H 63 8.410 8.737 -0.327 1
1 685 . 9 1 1 A 63 63 GLU HA H 63 4.287 4.655 -0.368 1
1 689 . 9 1 1 A 63 63 GLU C C 63 176.521 176.597 -0.076 1
1 690 . 9 1 1 A 63 63 GLU CA C 63 56.478 55.072 1.406 1
1 691 . 9 1 1 A 63 63 GLU CB C 63 30.371 30.338 0.033 1
1 693 . 9 1 1 A 63 63 GLU N N 63 120.216 120.345 -0.129 1
1 694 . 9 1 1 A 64 64 VAL H H 64 8.221 7.694 0.527 1
1 695 . 9 1 1 A 64 64 VAL HA H 64 4.177 3.798 0.379 1
1 703 . 9 1 1 A 64 64 VAL C C 64 176.179 175.426 0.753 1
1 704 . 9 1 1 A 64 64 VAL CA C 64 62.212 64.813 -2.601 1
1 705 . 9 1 1 A 64 64 VAL CB C 64 32.875 32.007 0.868 1
1 708 . 9 1 1 A 64 64 VAL N N 64 121.436 123.359 -1.923 1
1 709 . 9 1 1 A 65 65 SER H H 65 8.421 7.860 0.561 1
1 710 . 9 1 1 A 65 65 SER HA H 65 4.500 4.672 -0.172 1
1 713 . 9 1 1 A 65 65 SER C C 65 174.560 174.655 -0.095 1
1 714 . 9 1 1 A 65 65 SER CA C 65 58.411 56.914 1.497 1
1 715 . 9 1 1 A 65 65 SER CB C 65 63.999 65.658 -1.659 1
1 716 . 9 1 1 A 65 65 SER N N 65 119.752 111.721 8.031 1
1 717 . 9 1 1 A 66 66 GLY H H 66 8.268 8.635 -0.367 1
1 718 . 9 1 1 A 66 66 GLY HA2 H 66 4.065 3.973 0.092 1
1 719 . 9 1 1 A 66 66 GLY HA3 H 66 4.191 3.974 0.217 1
1 720 . 9 1 1 A 66 66 GLY C C 66 171.744 174.142 -2.398 1
1 721 . 9 1 1 A 66 66 GLY CA C 66 44.679 46.547 -1.868 1
1 722 . 9 1 1 A 66 66 GLY N N 66 110.950 108.674 2.276 1
1 723 . 9 1 1 A 67 67 PRO HA H 67 4.481 4.609 -0.128 1
1 728 . 9 1 1 A 67 67 PRO C C 67 177.427 177.196 0.231 1
1 729 . 9 1 1 A 67 67 PRO CA C 67 63.264 62.233 1.031 1
1 730 . 9 1 1 A 67 67 PRO CB C 67 32.200 29.698 2.502 1
1 733 . 9 1 1 A 68 68 SER H H 68 8.543 8.414 0.129 1
1 734 . 9 1 1 A 68 68 SER HA H 68 4.559 4.115 0.444 1
1 737 . 9 1 1 A 68 68 SER C C 68 174.726 174.800 -0.074 1
1 738 . 9 1 1 A 68 68 SER CA C 68 58.368 61.553 -3.185 1
1 739 . 9 1 1 A 68 68 SER CB C 68 63.934 63.058 0.876 1
1 740 . 9 1 1 A 68 68 SER N N 68 116.507 120.682 -4.175 1
1 741 . 9 1 1 A 69 69 SER H H 69 8.349 8.168 0.181 1
1 742 . 9 1 1 A 69 69 SER HA H 69 4.507 4.077 0.430 1
1 745 . 9 1 1 A 69 69 SER C C 69 173.960 173.464 0.496 1
1 746 . 9 1 1 A 69 69 SER CA C 69 58.355 59.220 -0.865 1
1 747 . 9 1 1 A 69 69 SER CB C 69 63.993 62.262 1.731 1
1 748 . 9 1 1 A 69 69 SER N N 69 117.971 115.205 2.766 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.533 5.187 -0.654 1
1 4 . 10 1 1 A 6 6 SER C C 6 174.513 173.958 0.555 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.407 57.254 1.153 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.873 67.428 -3.555 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.204 8.356 -0.152 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 4.085 4.110 -0.025 1
1 9 . 10 1 1 A 7 7 GLY C C 7 171.507 173.586 -2.079 1
1 10 . 10 1 1 A 7 7 GLY CA C 7 44.598 44.307 0.291 1
1 11 . 10 1 1 A 7 7 GLY N N 7 110.772 110.569 0.203 1
1 12 . 10 1 1 A 8 8 PRO HA H 8 4.421 4.549 -0.128 1
1 17 . 10 1 1 A 8 8 PRO C C 8 176.943 176.677 0.266 1
1 18 . 10 1 1 A 8 8 PRO CA C 8 62.917 62.624 0.293 1
1 19 . 10 1 1 A 8 8 PRO CB C 8 32.101 32.641 -0.540 1
1 22 . 10 1 1 A 9 9 LEU H H 9 8.334 8.276 0.058 1
1 23 . 10 1 1 A 9 9 LEU HA H 9 4.584 4.279 0.305 1
1 33 . 10 1 1 A 9 9 LEU C C 9 175.412 175.119 0.293 1
1 34 . 10 1 1 A 9 9 LEU CA C 9 53.030 54.283 -1.253 1
1 35 . 10 1 1 A 9 9 LEU CB C 9 41.804 41.802 0.002 1
1 39 . 10 1 1 A 9 9 LEU N N 9 123.997 123.194 0.803 1
1 40 . 10 1 1 A 10 10 PRO HA H 10 4.425 4.526 -0.101 1
1 46 . 10 1 1 A 10 10 PRO C C 10 176.530 176.911 -0.381 1
1 47 . 10 1 1 A 10 10 PRO CA C 10 62.801 62.868 -0.067 1
1 48 . 10 1 1 A 10 10 PRO CB C 10 31.871 32.172 -0.301 1
1 51 . 10 1 1 A 11 11 ILE H H 11 8.216 8.276 -0.060 1
1 52 . 10 1 1 A 11 11 ILE HA H 11 4.429 4.338 0.091 1
1 62 . 10 1 1 A 11 11 ILE C C 11 174.437 175.202 -0.765 1
1 63 . 10 1 1 A 11 11 ILE CA C 11 58.548 59.758 -1.210 1
1 64 . 10 1 1 A 11 11 ILE CB C 11 38.746 37.933 0.813 1
1 68 . 10 1 1 A 11 11 ILE N N 11 123.082 118.452 4.630 1
1 72 . 10 1 1 A 16 16 PRO HA H 16 4.575 4.541 0.034 1
1 78 . 10 1 1 A 16 16 PRO C C 16 175.885 175.133 0.752 1
1 79 . 10 1 1 A 16 16 PRO CA C 16 63.146 62.642 0.504 1
1 80 . 10 1 1 A 16 16 PRO CB C 16 32.894 32.320 0.574 1
1 83 . 10 1 1 A 17 17 ASP H H 17 8.822 8.251 0.571 1
1 84 . 10 1 1 A 17 17 ASP HA H 17 4.832 4.889 -0.057 1
1 87 . 10 1 1 A 17 17 ASP C C 17 174.878 176.000 -1.122 1
1 88 . 10 1 1 A 17 17 ASP CA C 17 52.473 53.508 -1.035 1
1 89 . 10 1 1 A 17 17 ASP CB C 17 42.755 41.368 1.387 1
1 90 . 10 1 1 A 17 17 ASP N N 17 121.885 120.919 0.966 1
1 91 . 10 1 1 A 18 18 ILE H H 18 8.259 8.519 -0.260 1
1 92 . 10 1 1 A 18 18 ILE HA H 18 3.889 3.842 0.047 1
1 102 . 10 1 1 A 18 18 ILE C C 18 178.346 177.326 1.020 1
1 103 . 10 1 1 A 18 18 ILE CA C 18 59.806 62.410 -2.604 1
1 104 . 10 1 1 A 18 18 ILE CB C 18 38.247 38.210 0.037 1
1 108 . 10 1 1 A 18 18 ILE N N 18 118.184 125.347 -7.163 1
1 109 . 10 1 1 A 19 19 GLN H H 19 8.404 8.124 0.280 1
1 110 . 10 1 1 A 19 19 GLN HA H 19 4.199 4.091 0.108 1
1 117 . 10 1 1 A 19 19 GLN C C 19 175.287 174.270 1.017 1
1 118 . 10 1 1 A 19 19 GLN CA C 19 60.889 60.821 0.068 1
1 119 . 10 1 1 A 19 19 GLN CB C 19 26.552 26.770 -0.218 1
1 121 . 10 1 1 A 19 19 GLN N N 19 123.230 121.896 1.334 1
1 123 . 10 1 1 A 20 20 PRO HA H 20 4.217 4.275 -0.058 1
1 130 . 10 1 1 A 20 20 PRO C C 20 179.677 179.329 0.348 1
1 131 . 10 1 1 A 20 20 PRO CA C 20 65.855 66.039 -0.184 1
1 132 . 10 1 1 A 20 20 PRO CB C 20 31.439 30.705 0.734 1
1 135 . 10 1 1 A 21 21 LEU H H 21 7.026 7.209 -0.183 1
1 136 . 10 1 1 A 21 21 LEU HA H 21 3.885 4.130 -0.245 1
1 146 . 10 1 1 A 21 21 LEU C C 21 177.599 178.153 -0.554 1
1 147 . 10 1 1 A 21 21 LEU CA C 21 58.435 57.252 1.183 1
1 148 . 10 1 1 A 21 21 LEU CB C 21 37.236 41.067 -3.831 1
1 152 . 10 1 1 A 21 21 LEU N N 21 116.369 117.020 -0.651 1
1 153 . 10 1 1 A 22 22 GLU H H 22 7.611 8.323 -0.712 1
1 154 . 10 1 1 A 22 22 GLU HA H 22 4.309 4.084 0.225 1
1 159 . 10 1 1 A 22 22 GLU C C 22 180.755 179.407 1.348 1
1 160 . 10 1 1 A 22 22 GLU CA C 22 59.887 59.919 -0.032 1
1 161 . 10 1 1 A 22 22 GLU CB C 22 29.715 29.366 0.349 1
1 163 . 10 1 1 A 22 22 GLU N N 22 119.345 119.179 0.166 1
1 164 . 10 1 1 A 23 23 ARG H H 23 8.662 8.076 0.586 1
1 165 . 10 1 1 A 23 23 ARG HA H 23 4.143 4.121 0.022 1
1 172 . 10 1 1 A 23 23 ARG C C 23 179.115 178.659 0.456 1
1 173 . 10 1 1 A 23 23 ARG CA C 23 59.453 59.738 -0.285 1
1 174 . 10 1 1 A 23 23 ARG CB C 23 30.628 29.889 0.739 1
1 177 . 10 1 1 A 23 23 ARG N N 23 119.060 119.450 -0.390 1
1 178 . 10 1 1 A 24 24 TYR H H 24 7.798 7.681 0.117 1
1 179 . 10 1 1 A 24 24 TYR HA H 24 4.349 4.410 -0.061 1
1 186 . 10 1 1 A 24 24 TYR C C 24 178.627 177.848 0.779 1
1 187 . 10 1 1 A 24 24 TYR CA C 24 61.883 61.699 0.184 1
1 188 . 10 1 1 A 24 24 TYR CB C 24 39.326 38.693 0.633 1
1 193 . 10 1 1 A 24 24 TYR N N 24 122.046 120.716 1.330 1
1 194 . 10 1 1 A 25 25 TRP H H 25 9.612 8.424 1.188 1
1 195 . 10 1 1 A 25 25 TRP HA H 25 4.680 4.611 0.069 1
1 204 . 10 1 1 A 25 25 TRP C C 25 178.218 178.871 -0.653 1
1 205 . 10 1 1 A 25 25 TRP CA C 25 60.775 61.315 -0.540 1
1 206 . 10 1 1 A 25 25 TRP CB C 25 29.956 29.808 0.148 1
1 212 . 10 1 1 A 25 25 TRP N N 25 121.351 121.630 -0.279 1
1 214 . 10 1 1 A 26 26 ALA H H 26 8.336 8.702 -0.366 1
1 215 . 10 1 1 A 26 26 ALA HA H 26 3.911 4.035 -0.124 1
1 219 . 10 1 1 A 26 26 ALA C C 26 178.850 178.914 -0.064 1
1 220 . 10 1 1 A 26 26 ALA CA C 26 54.720 53.419 1.301 1
1 221 . 10 1 1 A 26 26 ALA CB C 26 18.147 18.225 -0.078 1
1 222 . 10 1 1 A 26 26 ALA N N 26 118.991 121.250 -2.259 1
1 223 . 10 1 1 A 27 27 ALA H H 27 7.261 7.478 -0.217 1
1 224 . 10 1 1 A 27 27 ALA HA H 27 4.071 4.144 -0.073 1
1 228 . 10 1 1 A 27 27 ALA C C 27 178.433 178.788 -0.355 1
1 229 . 10 1 1 A 27 27 ALA CA C 27 53.440 54.218 -0.778 1
1 230 . 10 1 1 A 27 27 ALA CB C 27 18.789 19.393 -0.604 1
1 231 . 10 1 1 A 27 27 ALA N N 27 116.928 119.872 -2.944 1
1 232 . 10 1 1 A 28 28 HIS H H 28 7.810 7.349 0.461 1
1 233 . 10 1 1 A 28 28 HIS HA H 28 4.574 4.558 0.016 1
1 238 . 10 1 1 A 28 28 HIS C C 28 175.351 174.494 0.857 1
1 239 . 10 1 1 A 28 28 HIS CA C 28 56.709 55.594 1.115 1
1 240 . 10 1 1 A 28 28 HIS CB C 28 31.928 31.344 0.584 1
1 243 . 10 1 1 A 28 28 HIS N N 28 113.337 110.924 2.413 1
1 244 . 10 1 1 A 29 29 GLN H H 29 8.811 8.019 0.792 1
1 245 . 10 1 1 A 29 29 GLN HA H 29 2.344 3.018 -0.674 1
1 251 . 10 1 1 A 29 29 GLN C C 29 173.677 174.105 -0.428 1
1 252 . 10 1 1 A 29 29 GLN CA C 29 57.111 56.429 0.682 1
1 253 . 10 1 1 A 29 29 GLN CB C 29 26.795 25.559 1.236 1
1 255 . 10 1 1 A 29 29 GLN N N 29 115.607 116.040 -0.433 1
1 257 . 10 1 1 A 30 30 GLN H H 30 7.465 7.769 -0.304 1
1 258 . 10 1 1 A 30 30 GLN HA H 30 4.607 5.285 -0.678 1
1 265 . 10 1 1 A 30 30 GLN C C 30 173.052 174.040 -0.988 1
1 266 . 10 1 1 A 30 30 GLN CA C 30 54.807 54.359 0.448 1
1 267 . 10 1 1 A 30 30 GLN CB C 30 30.766 33.224 -2.458 1
1 269 . 10 1 1 A 30 30 GLN N N 30 112.695 117.427 -4.732 1
1 271 . 10 1 1 A 31 31 LEU H H 31 8.805 9.038 -0.233 1
1 272 . 10 1 1 A 31 31 LEU HA H 31 4.440 5.153 -0.713 1
1 282 . 10 1 1 A 31 31 LEU C C 31 176.017 174.448 1.569 1
1 283 . 10 1 1 A 31 31 LEU CA C 31 54.608 53.539 1.069 1
1 284 . 10 1 1 A 31 31 LEU CB C 31 42.819 46.168 -3.349 1
1 288 . 10 1 1 A 31 31 LEU N N 31 121.685 124.216 -2.531 1
1 289 . 10 1 1 A 32 32 ARG H H 32 7.422 8.516 -1.094 1
1 290 . 10 1 1 A 32 32 ARG HA H 32 4.574 4.764 -0.190 1
1 297 . 10 1 1 A 32 32 ARG C C 32 177.277 176.597 0.680 1
1 298 . 10 1 1 A 32 32 ARG CA C 32 55.071 53.889 1.182 1
1 299 . 10 1 1 A 32 32 ARG CB C 32 29.854 32.644 -2.790 1
1 302 . 10 1 1 A 32 32 ARG N N 32 126.338 125.358 0.980 1
1 303 . 10 1 1 A 33 33 GLU H H 33 9.164 9.009 0.155 1
1 304 . 10 1 1 A 33 33 GLU HA H 33 3.766 4.014 -0.248 1
1 309 . 10 1 1 A 33 33 GLU C C 33 178.939 178.683 0.256 1
1 310 . 10 1 1 A 33 33 GLU CA C 33 60.097 59.253 0.844 1
1 311 . 10 1 1 A 33 33 GLU CB C 33 29.340 29.326 0.014 1
1 313 . 10 1 1 A 33 33 GLU N N 33 126.822 123.509 3.313 1
1 314 . 10 1 1 A 34 34 THR H H 34 7.785 7.953 -0.168 1
1 315 . 10 1 1 A 34 34 THR HA H 34 4.055 4.051 0.004 1
1 320 . 10 1 1 A 34 34 THR C C 34 175.387 175.965 -0.578 1
1 321 . 10 1 1 A 34 34 THR CA C 34 63.631 65.171 -1.540 1
1 322 . 10 1 1 A 34 34 THR CB C 34 68.560 68.793 -0.233 1
1 324 . 10 1 1 A 34 34 THR N N 34 108.953 115.704 -6.751 1
1 325 . 10 1 1 A 35 35 ASP H H 35 7.841 8.288 -0.447 1
1 326 . 10 1 1 A 35 35 ASP HA H 35 4.928 4.525 0.403 1
1 329 . 10 1 1 A 35 35 ASP C C 35 175.827 177.630 -1.803 1
1 330 . 10 1 1 A 35 35 ASP CA C 35 55.169 55.527 -0.358 1
1 331 . 10 1 1 A 35 35 ASP CB C 35 41.057 41.043 0.014 1
1 332 . 10 1 1 A 35 35 ASP N N 35 119.019 121.212 -2.193 1
1 333 . 10 1 1 A 36 36 ILE H H 36 7.388 7.747 -0.359 1
1 334 . 10 1 1 A 36 36 ILE HA H 36 3.495 3.602 -0.107 1
1 344 . 10 1 1 A 36 36 ILE C C 36 174.161 175.079 -0.918 1
1 345 . 10 1 1 A 36 36 ILE CA C 36 67.912 66.350 1.562 1
1 346 . 10 1 1 A 36 36 ILE CB C 36 35.457 35.745 -0.288 1
1 350 . 10 1 1 A 36 36 ILE N N 36 119.567 121.270 -1.703 1
1 351 . 10 1 1 A 37 37 PRO HA H 37 4.232 4.277 -0.045 1
1 358 . 10 1 1 A 37 37 PRO C C 37 179.572 178.791 0.781 1
1 359 . 10 1 1 A 37 37 PRO CA C 37 66.890 65.638 1.252 1
1 360 . 10 1 1 A 37 37 PRO CB C 37 30.704 30.597 0.107 1
1 363 . 10 1 1 A 38 38 GLN H H 38 7.837 8.105 -0.268 1
1 364 . 10 1 1 A 38 38 GLN HA H 38 4.143 4.082 0.061 1
1 371 . 10 1 1 A 38 38 GLN C C 38 178.918 178.041 0.877 1
1 372 . 10 1 1 A 38 38 GLN CA C 38 59.171 58.894 0.277 1
1 373 . 10 1 1 A 38 38 GLN CB C 38 27.986 28.155 -0.169 1
1 375 . 10 1 1 A 38 38 GLN N N 38 117.627 117.414 0.213 1
1 377 . 10 1 1 A 39 39 LEU H H 39 7.991 8.231 -0.240 1
1 378 . 10 1 1 A 39 39 LEU HA H 39 3.995 4.074 -0.079 1
1 388 . 10 1 1 A 39 39 LEU C C 39 180.831 178.953 1.878 1
1 389 . 10 1 1 A 39 39 LEU CA C 39 57.722 57.462 0.260 1
1 390 . 10 1 1 A 39 39 LEU CB C 39 42.314 41.974 0.340 1
1 394 . 10 1 1 A 39 39 LEU N N 39 121.128 119.671 1.457 1
1 395 . 10 1 1 A 40 40 SER H H 40 8.980 8.130 0.850 1
1 396 . 10 1 1 A 40 40 SER HA H 40 4.086 4.306 -0.220 1
1 399 . 10 1 1 A 40 40 SER C C 40 176.517 177.004 -0.487 1
1 400 . 10 1 1 A 40 40 SER CA C 40 60.859 60.927 -0.068 1
1 401 . 10 1 1 A 40 40 SER CB C 40 63.255 62.983 0.272 1
1 402 . 10 1 1 A 40 40 SER N N 40 117.510 113.599 3.911 1
1 403 . 10 1 1 A 41 41 GLN H H 41 8.074 7.842 0.232 1
1 404 . 10 1 1 A 41 41 GLN HA H 41 4.014 4.071 -0.057 1
1 411 . 10 1 1 A 41 41 GLN C C 41 178.637 177.831 0.806 1
1 412 . 10 1 1 A 41 41 GLN CA C 41 58.955 58.522 0.433 1
1 413 . 10 1 1 A 41 41 GLN CB C 41 28.421 28.352 0.069 1
1 415 . 10 1 1 A 41 41 GLN N N 41 120.218 119.977 0.241 1
1 417 . 10 1 1 A 42 42 ALA H H 42 8.149 7.898 0.251 1
1 418 . 10 1 1 A 42 42 ALA HA H 42 4.162 4.148 0.014 1
1 422 . 10 1 1 A 42 42 ALA C C 42 178.442 179.970 -1.528 1
1 423 . 10 1 1 A 42 42 ALA CA C 42 54.567 55.070 -0.503 1
1 424 . 10 1 1 A 42 42 ALA CB C 42 19.202 18.222 0.980 1
1 425 . 10 1 1 A 42 42 ALA N N 42 118.903 121.908 -3.005 1
1 426 . 10 1 1 A 43 43 SER H H 43 7.784 8.076 -0.292 1
1 427 . 10 1 1 A 43 43 SER HA H 43 4.851 4.672 0.179 1
1 430 . 10 1 1 A 43 43 SER C C 43 175.304 174.508 0.796 1
1 431 . 10 1 1 A 43 43 SER CA C 43 59.180 58.988 0.192 1
1 432 . 10 1 1 A 43 43 SER CB C 43 66.897 63.949 2.948 1
1 433 . 10 1 1 A 43 43 SER N N 43 109.522 110.750 -1.228 1
1 434 . 10 1 1 A 44 44 ARG H H 44 7.799 7.802 -0.003 1
1 435 . 10 1 1 A 44 44 ARG HA H 44 3.872 3.865 0.007 1
1 441 . 10 1 1 A 44 44 ARG C C 44 175.312 174.513 0.799 1
1 442 . 10 1 1 A 44 44 ARG CA C 44 58.582 57.320 1.262 1
1 443 . 10 1 1 A 44 44 ARG CB C 44 26.661 26.644 0.017 1
1 446 . 10 1 1 A 44 44 ARG N N 44 114.335 116.788 -2.453 1
1 447 . 10 1 1 A 45 45 LEU H H 45 7.759 7.433 0.326 1
1 448 . 10 1 1 A 45 45 LEU HA H 45 4.571 4.902 -0.331 1
1 458 . 10 1 1 A 45 45 LEU C C 45 177.069 175.723 1.346 1
1 459 . 10 1 1 A 45 45 LEU CA C 45 53.471 53.215 0.256 1
1 460 . 10 1 1 A 45 45 LEU CB C 45 43.845 44.702 -0.857 1
1 464 . 10 1 1 A 45 45 LEU N N 45 120.316 118.892 1.424 1
1 465 . 10 1 1 A 46 46 SER H H 46 9.062 8.803 0.259 1
1 466 . 10 1 1 A 46 46 SER HA H 46 4.446 4.506 -0.060 1
1 469 . 10 1 1 A 46 46 SER C C 46 174.731 175.771 -1.040 1
1 470 . 10 1 1 A 46 46 SER CA C 46 57.302 58.858 -1.556 1
1 471 . 10 1 1 A 46 46 SER CB C 46 65.202 63.793 1.409 1
1 472 . 10 1 1 A 46 46 SER N N 46 117.855 117.171 0.684 1
1 473 . 10 1 1 A 47 47 THR H H 47 8.770 8.708 0.062 1
1 474 . 10 1 1 A 47 47 THR HA H 47 3.578 3.853 -0.275 1
1 479 . 10 1 1 A 47 47 THR C C 47 176.003 176.175 -0.172 1
1 480 . 10 1 1 A 47 47 THR CA C 47 67.477 65.829 1.648 1
1 481 . 10 1 1 A 47 47 THR CB C 47 68.317 68.843 -0.526 1
1 483 . 10 1 1 A 47 47 THR N N 47 115.428 118.277 -2.849 1
1 484 . 10 1 1 A 48 48 GLN H H 48 8.292 7.891 0.401 1
1 485 . 10 1 1 A 48 48 GLN HA H 48 3.890 3.946 -0.056 1
1 492 . 10 1 1 A 48 48 GLN C C 48 177.625 177.676 -0.051 1
1 493 . 10 1 1 A 48 48 GLN CA C 48 58.482 59.123 -0.641 1
1 494 . 10 1 1 A 48 48 GLN CB C 48 28.614 28.572 0.042 1
1 496 . 10 1 1 A 48 48 GLN N N 48 119.078 119.905 -0.827 1
1 498 . 10 1 1 A 49 49 GLN H H 49 7.765 8.204 -0.439 1
1 499 . 10 1 1 A 49 49 GLN HA H 49 4.153 3.985 0.168 1
1 506 . 10 1 1 A 49 49 GLN C C 49 180.153 178.728 1.425 1
1 507 . 10 1 1 A 49 49 GLN CA C 49 58.927 59.248 -0.321 1
1 508 . 10 1 1 A 49 49 GLN CB C 49 30.030 28.309 1.721 1
1 510 . 10 1 1 A 49 49 GLN N N 49 117.667 118.151 -0.484 1
1 512 . 10 1 1 A 50 50 VAL H H 50 8.465 7.683 0.782 1
1 513 . 10 1 1 A 50 50 VAL HA H 50 3.620 3.759 -0.139 1
1 521 . 10 1 1 A 50 50 VAL C C 50 177.691 178.157 -0.466 1
1 522 . 10 1 1 A 50 50 VAL CA C 50 67.588 66.512 1.076 1
1 523 . 10 1 1 A 50 50 VAL CB C 50 31.470 31.407 0.063 1
1 526 . 10 1 1 A 50 50 VAL N N 50 122.227 119.968 2.259 1
1 527 . 10 1 1 A 51 51 LEU H H 51 8.119 7.757 0.362 1
1 528 . 10 1 1 A 51 51 LEU HA H 51 3.975 3.962 0.013 1
1 538 . 10 1 1 A 51 51 LEU C C 51 179.950 179.377 0.573 1
1 539 . 10 1 1 A 51 51 LEU CA C 51 59.206 58.206 1.000 1
1 540 . 10 1 1 A 51 51 LEU CB C 51 41.515 41.200 0.315 1
1 544 . 10 1 1 A 51 51 LEU N N 51 120.724 119.095 1.629 1
1 545 . 10 1 1 A 52 52 ASP H H 52 8.780 8.142 0.638 1
1 546 . 10 1 1 A 52 52 ASP HA H 52 4.344 4.350 -0.006 1
1 549 . 10 1 1 A 52 52 ASP C C 52 178.654 178.463 0.191 1
1 550 . 10 1 1 A 52 52 ASP CA C 52 57.310 57.178 0.132 1
1 551 . 10 1 1 A 52 52 ASP CB C 52 40.418 40.620 -0.202 1
1 552 . 10 1 1 A 52 52 ASP N N 52 118.559 119.155 -0.596 1
1 553 . 10 1 1 A 53 53 TRP H H 53 8.180 8.184 -0.004 1
1 554 . 10 1 1 A 53 53 TRP HA H 53 3.905 4.287 -0.382 1
1 563 . 10 1 1 A 53 53 TRP C C 53 180.216 178.161 2.055 1
1 564 . 10 1 1 A 53 53 TRP CA C 53 62.801 60.943 1.858 1
1 565 . 10 1 1 A 53 53 TRP CB C 53 29.117 29.764 -0.647 1
1 571 . 10 1 1 A 53 53 TRP N N 53 123.121 121.806 1.315 1
1 573 . 10 1 1 A 54 54 PHE H H 54 8.371 8.379 -0.008 1
1 574 . 10 1 1 A 54 54 PHE HA H 54 3.786 4.031 -0.245 1
1 582 . 10 1 1 A 54 54 PHE C C 54 178.605 177.834 0.771 1
1 583 . 10 1 1 A 54 54 PHE CA C 54 63.242 61.957 1.285 1
1 584 . 10 1 1 A 54 54 PHE CB C 54 39.446 38.528 0.918 1
1 590 . 10 1 1 A 54 54 PHE N N 54 117.319 117.223 0.096 1
1 591 . 10 1 1 A 55 55 ASP H H 55 8.609 8.002 0.607 1
1 592 . 10 1 1 A 55 55 ASP HA H 55 4.499 4.287 0.212 1
1 595 . 10 1 1 A 55 55 ASP C C 55 177.993 178.640 -0.647 1
1 596 . 10 1 1 A 55 55 ASP CA C 55 57.370 57.150 0.220 1
1 597 . 10 1 1 A 55 55 ASP CB C 55 41.096 39.935 1.161 1
1 598 . 10 1 1 A 55 55 ASP N N 55 120.805 118.820 1.985 1
1 599 . 10 1 1 A 56 56 SER H H 56 7.450 8.426 -0.976 1
1 600 . 10 1 1 A 56 56 SER HA H 56 4.236 4.093 0.143 1
1 603 . 10 1 1 A 56 56 SER C C 56 174.228 176.937 -2.709 1
1 604 . 10 1 1 A 56 56 SER CA C 56 59.538 61.334 -1.796 1
1 605 . 10 1 1 A 56 56 SER CB C 56 63.340 62.639 0.701 1
1 606 . 10 1 1 A 56 56 SER N N 56 111.640 115.727 -4.087 1
1 607 . 10 1 1 A 57 57 ARG H H 57 7.061 7.171 -0.110 1
1 608 . 10 1 1 A 57 57 ARG HA H 57 3.803 3.888 -0.085 1
1 615 . 10 1 1 A 57 57 ARG C C 57 175.909 177.233 -1.324 1
1 616 . 10 1 1 A 57 57 ARG CA C 57 55.254 58.743 -3.489 1
1 617 . 10 1 1 A 57 57 ARG CB C 57 30.216 29.195 1.021 1
1 620 . 10 1 1 A 57 57 ARG N N 57 120.670 119.658 1.012 1
1 621 . 10 1 1 A 58 58 LEU H H 58 7.519 7.125 0.394 1
1 622 . 10 1 1 A 58 58 LEU HA H 58 4.611 4.458 0.153 1
1 632 . 10 1 1 A 58 58 LEU C C 58 174.867 175.240 -0.373 1
1 633 . 10 1 1 A 58 58 LEU CA C 58 53.322 54.027 -0.705 1
1 634 . 10 1 1 A 58 58 LEU CB C 58 41.891 41.501 0.390 1
1 638 . 10 1 1 A 58 58 LEU N N 58 122.146 121.191 0.955 1
1 639 . 10 1 1 A 59 59 PRO HA H 59 4.489 4.739 -0.250 1
1 645 . 10 1 1 A 59 59 PRO C C 59 176.849 176.668 0.181 1
1 646 . 10 1 1 A 59 59 PRO CA C 59 63.047 62.298 0.749 1
1 647 . 10 1 1 A 59 59 PRO CB C 59 32.066 29.539 2.527 1
1 650 . 10 1 1 A 60 60 GLN H H 60 8.496 8.124 0.372 1
1 651 . 10 1 1 A 60 60 GLN HA H 60 4.595 4.585 0.010 1
1 658 . 10 1 1 A 60 60 GLN C C 60 174.178 174.877 -0.699 1
1 659 . 10 1 1 A 60 60 GLN CA C 60 53.464 54.311 -0.847 1
1 660 . 10 1 1 A 60 60 GLN CB C 60 28.989 28.629 0.360 1
1 662 . 10 1 1 A 60 60 GLN N N 60 121.828 118.682 3.146 1
1 664 . 10 1 1 A 61 61 PRO HA H 61 4.397 4.774 -0.377 1
1 670 . 10 1 1 A 61 61 PRO C C 61 176.634 176.222 0.412 1
1 671 . 10 1 1 A 61 61 PRO CA C 61 63.150 62.936 0.214 1
1 672 . 10 1 1 A 61 61 PRO CB C 61 32.103 31.794 0.309 1
1 675 . 10 1 1 A 62 62 ALA H H 62 8.445 8.430 0.015 1
1 676 . 10 1 1 A 62 62 ALA HA H 62 4.280 4.999 -0.719 1
1 680 . 10 1 1 A 62 62 ALA C C 62 177.871 176.461 1.410 1
1 681 . 10 1 1 A 62 62 ALA CA C 62 52.522 50.536 1.986 1
1 682 . 10 1 1 A 62 62 ALA CB C 62 19.309 23.303 -3.994 1
1 683 . 10 1 1 A 62 62 ALA N N 62 124.460 124.569 -0.109 1
1 684 . 10 1 1 A 63 63 GLU H H 63 8.410 8.484 -0.074 1
1 685 . 10 1 1 A 63 63 GLU HA H 63 4.287 4.225 0.062 1
1 689 . 10 1 1 A 63 63 GLU C C 63 176.521 175.634 0.887 1
1 690 . 10 1 1 A 63 63 GLU CA C 63 56.478 56.873 -0.395 1
1 691 . 10 1 1 A 63 63 GLU CB C 63 30.371 29.819 0.552 1
1 693 . 10 1 1 A 63 63 GLU N N 63 120.216 118.932 1.284 1
1 694 . 10 1 1 A 64 64 VAL H H 64 8.221 8.763 -0.542 1
1 695 . 10 1 1 A 64 64 VAL HA H 64 4.177 4.379 -0.202 1
1 703 . 10 1 1 A 64 64 VAL C C 64 176.179 176.513 -0.334 1
1 704 . 10 1 1 A 64 64 VAL CA C 64 62.212 61.411 0.801 1
1 705 . 10 1 1 A 64 64 VAL CB C 64 32.875 33.393 -0.518 1
1 708 . 10 1 1 A 64 64 VAL N N 64 121.436 126.007 -4.571 1
1 709 . 10 1 1 A 65 65 SER H H 65 8.421 8.709 -0.288 1
1 710 . 10 1 1 A 65 65 SER HA H 65 4.500 4.232 0.268 1
1 713 . 10 1 1 A 65 65 SER C C 65 174.560 175.266 -0.706 1
1 714 . 10 1 1 A 65 65 SER CA C 65 58.411 62.325 -3.914 1
1 715 . 10 1 1 A 65 65 SER CB C 65 63.999 62.925 1.074 1
1 716 . 10 1 1 A 65 65 SER N N 65 119.752 119.529 0.223 1
1 717 . 10 1 1 A 66 66 GLY H H 66 8.268 7.770 0.498 1
1 718 . 10 1 1 A 66 66 GLY HA2 H 66 4.065 4.043 0.022 1
1 719 . 10 1 1 A 66 66 GLY HA3 H 66 4.191 4.044 0.147 1
1 720 . 10 1 1 A 66 66 GLY C C 66 171.744 174.524 -2.780 1
1 721 . 10 1 1 A 66 66 GLY CA C 66 44.679 44.418 0.261 1
1 722 . 10 1 1 A 66 66 GLY N N 66 110.950 108.513 2.437 1
1 723 . 10 1 1 A 67 67 PRO HA H 67 4.481 4.554 -0.073 1
1 728 . 10 1 1 A 67 67 PRO C C 67 177.427 176.540 0.887 1
1 729 . 10 1 1 A 67 67 PRO CA C 67 63.264 63.456 -0.192 1
1 730 . 10 1 1 A 67 67 PRO CB C 67 32.200 32.175 0.025 1
1 733 . 10 1 1 A 68 68 SER H H 68 8.543 7.637 0.906 1
1 734 . 10 1 1 A 68 68 SER HA H 68 4.559 4.296 0.263 1
1 737 . 10 1 1 A 68 68 SER C C 68 174.726 173.860 0.866 1
1 738 . 10 1 1 A 68 68 SER CA C 68 58.368 59.221 -0.853 1
1 739 . 10 1 1 A 68 68 SER CB C 68 63.934 62.942 0.992 1
1 740 . 10 1 1 A 68 68 SER N N 68 116.507 116.543 -0.036 1
1 741 . 10 1 1 A 69 69 SER H H 69 8.349 8.794 -0.445 1
1 742 . 10 1 1 A 69 69 SER HA H 69 4.507 4.843 -0.336 1
1 745 . 10 1 1 A 69 69 SER C C 69 173.960 173.933 0.027 1
1 746 . 10 1 1 A 69 69 SER CA C 69 58.355 57.066 1.289 1
1 747 . 10 1 1 A 69 69 SER CB C 69 63.993 65.103 -1.110 1
1 748 . 10 1 1 A 69 69 SER N N 69 117.971 121.773 -3.802 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.533 5.024 -0.491 1
1 4 . 11 1 1 A 6 6 SER C C 6 174.513 172.820 1.693 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.407 57.571 0.836 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.873 65.761 -1.888 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.204 8.368 -0.164 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 4.085 4.200 -0.115 1
1 9 . 11 1 1 A 7 7 GLY C C 7 171.507 172.436 -0.929 1
1 10 . 11 1 1 A 7 7 GLY CA C 7 44.598 45.176 -0.578 1
1 11 . 11 1 1 A 7 7 GLY N N 7 110.772 107.971 2.801 1
1 12 . 11 1 1 A 8 8 PRO HA H 8 4.421 4.456 -0.035 1
1 17 . 11 1 1 A 8 8 PRO C C 8 176.943 177.436 -0.493 1
1 18 . 11 1 1 A 8 8 PRO CA C 8 62.917 62.261 0.656 1
1 19 . 11 1 1 A 8 8 PRO CB C 8 32.101 29.648 2.453 1
1 22 . 11 1 1 A 9 9 LEU H H 9 8.334 8.360 -0.026 1
1 23 . 11 1 1 A 9 9 LEU HA H 9 4.584 3.924 0.660 1
1 33 . 11 1 1 A 9 9 LEU C C 9 175.412 175.845 -0.433 1
1 34 . 11 1 1 A 9 9 LEU CA C 9 53.030 55.713 -2.683 1
1 35 . 11 1 1 A 9 9 LEU CB C 9 41.804 40.643 1.161 1
1 39 . 11 1 1 A 9 9 LEU N N 9 123.997 122.666 1.331 1
1 40 . 11 1 1 A 10 10 PRO HA H 10 4.425 4.567 -0.142 1
1 46 . 11 1 1 A 10 10 PRO C C 10 176.530 176.658 -0.128 1
1 47 . 11 1 1 A 10 10 PRO CA C 10 62.801 62.193 0.608 1
1 48 . 11 1 1 A 10 10 PRO CB C 10 31.871 32.670 -0.799 1
1 51 . 11 1 1 A 11 11 ILE H H 11 8.216 8.338 -0.122 1
1 52 . 11 1 1 A 11 11 ILE HA H 11 4.429 4.333 0.096 1
1 62 . 11 1 1 A 11 11 ILE C C 11 174.437 175.108 -0.671 1
1 63 . 11 1 1 A 11 11 ILE CA C 11 58.548 59.761 -1.213 1
1 64 . 11 1 1 A 11 11 ILE CB C 11 38.746 38.009 0.737 1
1 68 . 11 1 1 A 11 11 ILE N N 11 123.082 119.159 3.923 1
1 72 . 11 1 1 A 16 16 PRO HA H 16 4.575 4.560 0.015 1
1 78 . 11 1 1 A 16 16 PRO C C 16 175.885 175.012 0.873 1
1 79 . 11 1 1 A 16 16 PRO CA C 16 63.146 62.407 0.739 1
1 80 . 11 1 1 A 16 16 PRO CB C 16 32.894 32.882 0.012 1
1 83 . 11 1 1 A 17 17 ASP H H 17 8.822 8.244 0.578 1
1 84 . 11 1 1 A 17 17 ASP HA H 17 4.832 4.946 -0.114 1
1 87 . 11 1 1 A 17 17 ASP C C 17 174.878 175.806 -0.928 1
1 88 . 11 1 1 A 17 17 ASP CA C 17 52.473 53.012 -0.539 1
1 89 . 11 1 1 A 17 17 ASP CB C 17 42.755 42.785 -0.030 1
1 90 . 11 1 1 A 17 17 ASP N N 17 121.885 119.922 1.963 1
1 91 . 11 1 1 A 18 18 ILE H H 18 8.259 8.514 -0.255 1
1 92 . 11 1 1 A 18 18 ILE HA H 18 3.889 3.795 0.094 1
1 102 . 11 1 1 A 18 18 ILE C C 18 178.346 177.330 1.016 1
1 103 . 11 1 1 A 18 18 ILE CA C 18 59.806 61.596 -1.790 1
1 104 . 11 1 1 A 18 18 ILE CB C 18 38.247 38.108 0.139 1
1 108 . 11 1 1 A 18 18 ILE N N 18 118.184 124.976 -6.792 1
1 109 . 11 1 1 A 19 19 GLN H H 19 8.404 8.067 0.337 1
1 110 . 11 1 1 A 19 19 GLN HA H 19 4.199 4.095 0.104 1
1 117 . 11 1 1 A 19 19 GLN C C 19 175.287 174.234 1.053 1
1 118 . 11 1 1 A 19 19 GLN CA C 19 60.889 60.802 0.087 1
1 119 . 11 1 1 A 19 19 GLN CB C 19 26.552 26.780 -0.228 1
1 121 . 11 1 1 A 19 19 GLN N N 19 123.230 121.951 1.279 1
1 123 . 11 1 1 A 20 20 PRO HA H 20 4.217 4.304 -0.087 1
1 130 . 11 1 1 A 20 20 PRO C C 20 179.677 179.025 0.652 1
1 131 . 11 1 1 A 20 20 PRO CA C 20 65.855 65.816 0.039 1
1 132 . 11 1 1 A 20 20 PRO CB C 20 31.439 30.739 0.700 1
1 135 . 11 1 1 A 21 21 LEU H H 21 7.026 7.260 -0.234 1
1 136 . 11 1 1 A 21 21 LEU HA H 21 3.885 4.130 -0.245 1
1 146 . 11 1 1 A 21 21 LEU C C 21 177.599 178.415 -0.816 1
1 147 . 11 1 1 A 21 21 LEU CA C 21 58.435 57.127 1.308 1
1 148 . 11 1 1 A 21 21 LEU CB C 21 37.236 40.718 -3.482 1
1 152 . 11 1 1 A 21 21 LEU N N 21 116.369 117.396 -1.027 1
1 153 . 11 1 1 A 22 22 GLU H H 22 7.611 8.283 -0.672 1
1 154 . 11 1 1 A 22 22 GLU HA H 22 4.309 4.245 0.064 1
1 159 . 11 1 1 A 22 22 GLU C C 22 180.755 179.207 1.548 1
1 160 . 11 1 1 A 22 22 GLU CA C 22 59.887 60.099 -0.212 1
1 161 . 11 1 1 A 22 22 GLU CB C 22 29.715 29.711 0.004 1
1 163 . 11 1 1 A 22 22 GLU N N 22 119.345 119.571 -0.226 1
1 164 . 11 1 1 A 23 23 ARG H H 23 8.662 8.173 0.489 1
1 165 . 11 1 1 A 23 23 ARG HA H 23 4.143 4.150 -0.007 1
1 172 . 11 1 1 A 23 23 ARG C C 23 179.115 178.864 0.251 1
1 173 . 11 1 1 A 23 23 ARG CA C 23 59.453 59.498 -0.045 1
1 174 . 11 1 1 A 23 23 ARG CB C 23 30.628 30.114 0.514 1
1 177 . 11 1 1 A 23 23 ARG N N 23 119.060 119.477 -0.417 1
1 178 . 11 1 1 A 24 24 TYR H H 24 7.798 8.298 -0.500 1
1 179 . 11 1 1 A 24 24 TYR HA H 24 4.349 4.472 -0.123 1
1 186 . 11 1 1 A 24 24 TYR C C 24 178.627 177.990 0.637 1
1 187 . 11 1 1 A 24 24 TYR CA C 24 61.883 61.834 0.049 1
1 188 . 11 1 1 A 24 24 TYR CB C 24 39.326 39.047 0.279 1
1 193 . 11 1 1 A 24 24 TYR N N 24 122.046 120.581 1.465 1
1 194 . 11 1 1 A 25 25 TRP H H 25 9.612 8.214 1.398 1
1 195 . 11 1 1 A 25 25 TRP HA H 25 4.680 4.540 0.140 1
1 204 . 11 1 1 A 25 25 TRP C C 25 178.218 178.850 -0.632 1
1 205 . 11 1 1 A 25 25 TRP CA C 25 60.775 61.168 -0.393 1
1 206 . 11 1 1 A 25 25 TRP CB C 25 29.956 30.066 -0.110 1
1 212 . 11 1 1 A 25 25 TRP N N 25 121.351 121.688 -0.337 1
1 214 . 11 1 1 A 26 26 ALA H H 26 8.336 8.737 -0.401 1
1 215 . 11 1 1 A 26 26 ALA HA H 26 3.911 4.077 -0.166 1
1 219 . 11 1 1 A 26 26 ALA C C 26 178.850 178.945 -0.095 1
1 220 . 11 1 1 A 26 26 ALA CA C 26 54.720 54.345 0.375 1
1 221 . 11 1 1 A 26 26 ALA CB C 26 18.147 18.430 -0.283 1
1 222 . 11 1 1 A 26 26 ALA N N 26 118.991 121.431 -2.440 1
1 223 . 11 1 1 A 27 27 ALA H H 27 7.261 7.923 -0.662 1
1 224 . 11 1 1 A 27 27 ALA HA H 27 4.071 4.279 -0.208 1
1 228 . 11 1 1 A 27 27 ALA C C 27 178.433 179.037 -0.604 1
1 229 . 11 1 1 A 27 27 ALA CA C 27 53.440 54.041 -0.601 1
1 230 . 11 1 1 A 27 27 ALA CB C 27 18.789 19.723 -0.934 1
1 231 . 11 1 1 A 27 27 ALA N N 27 116.928 119.702 -2.774 1
1 232 . 11 1 1 A 28 28 HIS H H 28 7.810 8.105 -0.295 1
1 233 . 11 1 1 A 28 28 HIS HA H 28 4.574 4.395 0.179 1
1 238 . 11 1 1 A 28 28 HIS C C 28 175.351 175.062 0.289 1
1 239 . 11 1 1 A 28 28 HIS CA C 28 56.709 57.404 -0.695 1
1 240 . 11 1 1 A 28 28 HIS CB C 28 31.928 30.395 1.533 1
1 243 . 11 1 1 A 28 28 HIS N N 28 113.337 113.859 -0.522 1
1 244 . 11 1 1 A 29 29 GLN H H 29 8.811 7.886 0.925 1
1 245 . 11 1 1 A 29 29 GLN HA H 29 2.344 3.095 -0.751 1
1 251 . 11 1 1 A 29 29 GLN C C 29 173.677 174.173 -0.496 1
1 252 . 11 1 1 A 29 29 GLN CA C 29 57.111 56.537 0.574 1
1 253 . 11 1 1 A 29 29 GLN CB C 29 26.795 27.197 -0.402 1
1 255 . 11 1 1 A 29 29 GLN N N 29 115.607 118.521 -2.914 1
1 257 . 11 1 1 A 30 30 GLN H H 30 7.465 7.479 -0.014 1
1 258 . 11 1 1 A 30 30 GLN HA H 30 4.607 4.987 -0.380 1
1 265 . 11 1 1 A 30 30 GLN C C 30 173.052 173.343 -0.291 1
1 266 . 11 1 1 A 30 30 GLN CA C 30 54.807 54.827 -0.020 1
1 267 . 11 1 1 A 30 30 GLN CB C 30 30.766 31.649 -0.883 1
1 269 . 11 1 1 A 30 30 GLN N N 30 112.695 114.693 -1.998 1
1 271 . 11 1 1 A 31 31 LEU H H 31 8.805 8.690 0.115 1
1 272 . 11 1 1 A 31 31 LEU HA H 31 4.440 4.567 -0.127 1
1 282 . 11 1 1 A 31 31 LEU C C 31 176.017 175.058 0.959 1
1 283 . 11 1 1 A 31 31 LEU CA C 31 54.608 54.494 0.114 1
1 284 . 11 1 1 A 31 31 LEU CB C 31 42.819 43.595 -0.776 1
1 288 . 11 1 1 A 31 31 LEU N N 31 121.685 126.138 -4.453 1
1 289 . 11 1 1 A 32 32 ARG H H 32 7.422 8.468 -1.046 1
1 290 . 11 1 1 A 32 32 ARG HA H 32 4.574 4.811 -0.237 1
1 297 . 11 1 1 A 32 32 ARG C C 32 177.277 176.550 0.727 1
1 298 . 11 1 1 A 32 32 ARG CA C 32 55.071 54.017 1.054 1
1 299 . 11 1 1 A 32 32 ARG CB C 32 29.854 33.308 -3.454 1
1 302 . 11 1 1 A 32 32 ARG N N 32 126.338 125.383 0.955 1
1 303 . 11 1 1 A 33 33 GLU H H 33 9.164 8.983 0.181 1
1 304 . 11 1 1 A 33 33 GLU HA H 33 3.766 4.067 -0.301 1
1 309 . 11 1 1 A 33 33 GLU C C 33 178.939 178.483 0.456 1
1 310 . 11 1 1 A 33 33 GLU CA C 33 60.097 59.189 0.908 1
1 311 . 11 1 1 A 33 33 GLU CB C 33 29.340 29.368 -0.028 1
1 313 . 11 1 1 A 33 33 GLU N N 33 126.822 123.308 3.514 1
1 314 . 11 1 1 A 34 34 THR H H 34 7.785 7.897 -0.112 1
1 315 . 11 1 1 A 34 34 THR HA H 34 4.055 4.045 0.010 1
1 320 . 11 1 1 A 34 34 THR C C 34 175.387 175.504 -0.117 1
1 321 . 11 1 1 A 34 34 THR CA C 34 63.631 64.875 -1.244 1
1 322 . 11 1 1 A 34 34 THR CB C 34 68.560 68.899 -0.339 1
1 324 . 11 1 1 A 34 34 THR N N 34 108.953 115.822 -6.869 1
1 325 . 11 1 1 A 35 35 ASP H H 35 7.841 8.199 -0.358 1
1 326 . 11 1 1 A 35 35 ASP HA H 35 4.928 4.492 0.436 1
1 329 . 11 1 1 A 35 35 ASP C C 35 175.827 177.538 -1.711 1
1 330 . 11 1 1 A 35 35 ASP CA C 35 55.169 54.853 0.316 1
1 331 . 11 1 1 A 35 35 ASP CB C 35 41.057 41.177 -0.120 1
1 332 . 11 1 1 A 35 35 ASP N N 35 119.019 120.243 -1.224 1
1 333 . 11 1 1 A 36 36 ILE H H 36 7.388 7.689 -0.301 1
1 334 . 11 1 1 A 36 36 ILE HA H 36 3.495 3.723 -0.228 1
1 344 . 11 1 1 A 36 36 ILE C C 36 174.161 175.253 -1.092 1
1 345 . 11 1 1 A 36 36 ILE CA C 36 67.912 66.228 1.684 1
1 346 . 11 1 1 A 36 36 ILE CB C 36 35.457 35.216 0.241 1
1 350 . 11 1 1 A 36 36 ILE N N 36 119.567 121.173 -1.606 1
1 351 . 11 1 1 A 37 37 PRO HA H 37 4.232 4.280 -0.048 1
1 358 . 11 1 1 A 37 37 PRO C C 37 179.572 178.822 0.750 1
1 359 . 11 1 1 A 37 37 PRO CA C 37 66.890 65.749 1.141 1
1 360 . 11 1 1 A 37 37 PRO CB C 37 30.704 30.458 0.246 1
1 363 . 11 1 1 A 38 38 GLN H H 38 7.837 8.039 -0.202 1
1 364 . 11 1 1 A 38 38 GLN HA H 38 4.143 4.050 0.093 1
1 371 . 11 1 1 A 38 38 GLN C C 38 178.918 178.437 0.481 1
1 372 . 11 1 1 A 38 38 GLN CA C 38 59.171 58.931 0.240 1
1 373 . 11 1 1 A 38 38 GLN CB C 38 27.986 28.323 -0.337 1
1 375 . 11 1 1 A 38 38 GLN N N 38 117.627 117.485 0.142 1
1 377 . 11 1 1 A 39 39 LEU H H 39 7.991 8.292 -0.301 1
1 378 . 11 1 1 A 39 39 LEU HA H 39 3.995 4.007 -0.012 1
1 388 . 11 1 1 A 39 39 LEU C C 39 180.831 178.731 2.100 1
1 389 . 11 1 1 A 39 39 LEU CA C 39 57.722 57.637 0.085 1
1 390 . 11 1 1 A 39 39 LEU CB C 39 42.314 41.415 0.899 1
1 394 . 11 1 1 A 39 39 LEU N N 39 121.128 120.263 0.865 1
1 395 . 11 1 1 A 40 40 SER H H 40 8.980 8.150 0.830 1
1 396 . 11 1 1 A 40 40 SER HA H 40 4.086 4.114 -0.028 1
1 399 . 11 1 1 A 40 40 SER C C 40 176.517 176.983 -0.466 1
1 400 . 11 1 1 A 40 40 SER CA C 40 60.859 61.429 -0.570 1
1 401 . 11 1 1 A 40 40 SER CB C 40 63.255 63.101 0.154 1
1 402 . 11 1 1 A 40 40 SER N N 40 117.510 113.910 3.600 1
1 403 . 11 1 1 A 41 41 GLN H H 41 8.074 7.440 0.634 1
1 404 . 11 1 1 A 41 41 GLN HA H 41 4.014 4.069 -0.055 1
1 411 . 11 1 1 A 41 41 GLN C C 41 178.637 178.249 0.388 1
1 412 . 11 1 1 A 41 41 GLN CA C 41 58.955 58.487 0.468 1
1 413 . 11 1 1 A 41 41 GLN CB C 41 28.421 28.358 0.063 1
1 415 . 11 1 1 A 41 41 GLN N N 41 120.218 121.466 -1.248 1
1 417 . 11 1 1 A 42 42 ALA H H 42 8.149 7.828 0.321 1
1 418 . 11 1 1 A 42 42 ALA HA H 42 4.162 4.159 0.003 1
1 422 . 11 1 1 A 42 42 ALA C C 42 178.442 179.818 -1.376 1
1 423 . 11 1 1 A 42 42 ALA CA C 42 54.567 54.998 -0.431 1
1 424 . 11 1 1 A 42 42 ALA CB C 42 19.202 18.408 0.794 1
1 425 . 11 1 1 A 42 42 ALA N N 42 118.903 122.224 -3.321 1
1 426 . 11 1 1 A 43 43 SER H H 43 7.784 7.953 -0.169 1
1 427 . 11 1 1 A 43 43 SER HA H 43 4.851 4.626 0.225 1
1 430 . 11 1 1 A 43 43 SER C C 43 175.304 174.511 0.793 1
1 431 . 11 1 1 A 43 43 SER CA C 43 59.180 58.836 0.344 1
1 432 . 11 1 1 A 43 43 SER CB C 43 66.897 63.963 2.934 1
1 433 . 11 1 1 A 43 43 SER N N 43 109.522 110.595 -1.073 1
1 434 . 11 1 1 A 44 44 ARG H H 44 7.799 7.468 0.331 1
1 435 . 11 1 1 A 44 44 ARG HA H 44 3.872 3.870 0.002 1
1 441 . 11 1 1 A 44 44 ARG C C 44 175.312 174.625 0.687 1
1 442 . 11 1 1 A 44 44 ARG CA C 44 58.582 57.317 1.265 1
1 443 . 11 1 1 A 44 44 ARG CB C 44 26.661 26.830 -0.169 1
1 446 . 11 1 1 A 44 44 ARG N N 44 114.335 116.588 -2.253 1
1 447 . 11 1 1 A 45 45 LEU H H 45 7.759 7.429 0.330 1
1 448 . 11 1 1 A 45 45 LEU HA H 45 4.571 4.928 -0.357 1
1 458 . 11 1 1 A 45 45 LEU C C 45 177.069 175.637 1.432 1
1 459 . 11 1 1 A 45 45 LEU CA C 45 53.471 53.097 0.374 1
1 460 . 11 1 1 A 45 45 LEU CB C 45 43.845 44.306 -0.461 1
1 464 . 11 1 1 A 45 45 LEU N N 45 120.316 118.882 1.434 1
1 465 . 11 1 1 A 46 46 SER H H 46 9.062 8.905 0.157 1
1 466 . 11 1 1 A 46 46 SER HA H 46 4.446 4.580 -0.134 1
1 469 . 11 1 1 A 46 46 SER C C 46 174.731 175.919 -1.188 1
1 470 . 11 1 1 A 46 46 SER CA C 46 57.302 58.368 -1.066 1
1 471 . 11 1 1 A 46 46 SER CB C 46 65.202 64.390 0.812 1
1 472 . 11 1 1 A 46 46 SER N N 46 117.855 116.727 1.128 1
1 473 . 11 1 1 A 47 47 THR H H 47 8.770 8.771 -0.001 1
1 474 . 11 1 1 A 47 47 THR HA H 47 3.578 3.872 -0.294 1
1 479 . 11 1 1 A 47 47 THR C C 47 176.003 176.230 -0.227 1
1 480 . 11 1 1 A 47 47 THR CA C 47 67.477 66.364 1.113 1
1 481 . 11 1 1 A 47 47 THR CB C 47 68.317 68.895 -0.578 1
1 483 . 11 1 1 A 47 47 THR N N 47 115.428 118.054 -2.626 1
1 484 . 11 1 1 A 48 48 GLN H H 48 8.292 7.988 0.304 1
1 485 . 11 1 1 A 48 48 GLN HA H 48 3.890 3.955 -0.065 1
1 492 . 11 1 1 A 48 48 GLN C C 48 177.625 177.782 -0.157 1
1 493 . 11 1 1 A 48 48 GLN CA C 48 58.482 59.173 -0.691 1
1 494 . 11 1 1 A 48 48 GLN CB C 48 28.614 28.451 0.163 1
1 496 . 11 1 1 A 48 48 GLN N N 48 119.078 121.372 -2.294 1
1 498 . 11 1 1 A 49 49 GLN H H 49 7.765 8.252 -0.487 1
1 499 . 11 1 1 A 49 49 GLN HA H 49 4.153 3.958 0.195 1
1 506 . 11 1 1 A 49 49 GLN C C 49 180.153 178.787 1.366 1
1 507 . 11 1 1 A 49 49 GLN CA C 49 58.927 59.325 -0.398 1
1 508 . 11 1 1 A 49 49 GLN CB C 49 30.030 28.258 1.772 1
1 510 . 11 1 1 A 49 49 GLN N N 49 117.667 118.675 -1.008 1
1 512 . 11 1 1 A 50 50 VAL H H 50 8.465 7.767 0.698 1
1 513 . 11 1 1 A 50 50 VAL HA H 50 3.620 3.704 -0.084 1
1 521 . 11 1 1 A 50 50 VAL C C 50 177.691 178.166 -0.475 1
1 522 . 11 1 1 A 50 50 VAL CA C 50 67.588 66.489 1.099 1
1 523 . 11 1 1 A 50 50 VAL CB C 50 31.470 31.514 -0.044 1
1 526 . 11 1 1 A 50 50 VAL N N 50 122.227 119.955 2.272 1
1 527 . 11 1 1 A 51 51 LEU H H 51 8.119 7.976 0.143 1
1 528 . 11 1 1 A 51 51 LEU HA H 51 3.975 4.062 -0.087 1
1 538 . 11 1 1 A 51 51 LEU C C 51 179.950 179.346 0.604 1
1 539 . 11 1 1 A 51 51 LEU CA C 51 59.206 58.070 1.136 1
1 540 . 11 1 1 A 51 51 LEU CB C 51 41.515 41.403 0.112 1
1 544 . 11 1 1 A 51 51 LEU N N 51 120.724 118.969 1.755 1
1 545 . 11 1 1 A 52 52 ASP H H 52 8.780 8.206 0.574 1
1 546 . 11 1 1 A 52 52 ASP HA H 52 4.344 4.370 -0.026 1
1 549 . 11 1 1 A 52 52 ASP C C 52 178.654 178.477 0.177 1
1 550 . 11 1 1 A 52 52 ASP CA C 52 57.310 57.137 0.173 1
1 551 . 11 1 1 A 52 52 ASP CB C 52 40.418 40.685 -0.267 1
1 552 . 11 1 1 A 52 52 ASP N N 52 118.559 119.402 -0.843 1
1 553 . 11 1 1 A 53 53 TRP H H 53 8.180 8.044 0.136 1
1 554 . 11 1 1 A 53 53 TRP HA H 53 3.905 4.283 -0.378 1
1 563 . 11 1 1 A 53 53 TRP C C 53 180.216 178.215 2.001 1
1 564 . 11 1 1 A 53 53 TRP CA C 53 62.801 61.123 1.678 1
1 565 . 11 1 1 A 53 53 TRP CB C 53 29.117 30.683 -1.566 1
1 571 . 11 1 1 A 53 53 TRP N N 53 123.121 121.683 1.438 1
1 573 . 11 1 1 A 54 54 PHE H H 54 8.371 8.205 0.166 1
1 574 . 11 1 1 A 54 54 PHE HA H 54 3.786 3.989 -0.203 1
1 582 . 11 1 1 A 54 54 PHE C C 54 178.605 177.900 0.705 1
1 583 . 11 1 1 A 54 54 PHE CA C 54 63.242 61.630 1.612 1
1 584 . 11 1 1 A 54 54 PHE CB C 54 39.446 38.870 0.576 1
1 590 . 11 1 1 A 54 54 PHE N N 54 117.319 117.701 -0.382 1
1 591 . 11 1 1 A 55 55 ASP H H 55 8.609 8.065 0.544 1
1 592 . 11 1 1 A 55 55 ASP HA H 55 4.499 4.413 0.086 1
1 595 . 11 1 1 A 55 55 ASP C C 55 177.993 177.813 0.180 1
1 596 . 11 1 1 A 55 55 ASP CA C 55 57.370 57.128 0.242 1
1 597 . 11 1 1 A 55 55 ASP CB C 55 41.096 41.792 -0.696 1
1 598 . 11 1 1 A 55 55 ASP N N 55 120.805 119.620 1.185 1
1 599 . 11 1 1 A 56 56 SER H H 56 7.450 7.816 -0.366 1
1 600 . 11 1 1 A 56 56 SER HA H 56 4.236 4.164 0.072 1
1 603 . 11 1 1 A 56 56 SER C C 56 174.228 176.943 -2.715 1
1 604 . 11 1 1 A 56 56 SER CA C 56 59.538 61.025 -1.487 1
1 605 . 11 1 1 A 56 56 SER CB C 56 63.340 62.921 0.419 1
1 606 . 11 1 1 A 56 56 SER N N 56 111.640 116.273 -4.633 1
1 607 . 11 1 1 A 57 57 ARG H H 57 7.061 7.403 -0.342 1
1 608 . 11 1 1 A 57 57 ARG HA H 57 3.803 3.880 -0.077 1
1 615 . 11 1 1 A 57 57 ARG C C 57 175.909 177.192 -1.283 1
1 616 . 11 1 1 A 57 57 ARG CA C 57 55.254 58.601 -3.347 1
1 617 . 11 1 1 A 57 57 ARG CB C 57 30.216 29.295 0.921 1
1 620 . 11 1 1 A 57 57 ARG N N 57 120.670 119.618 1.052 1
1 621 . 11 1 1 A 58 58 LEU H H 58 7.519 7.107 0.412 1
1 622 . 11 1 1 A 58 58 LEU HA H 58 4.611 4.492 0.119 1
1 632 . 11 1 1 A 58 58 LEU C C 58 174.867 175.226 -0.359 1
1 633 . 11 1 1 A 58 58 LEU CA C 58 53.322 53.934 -0.612 1
1 634 . 11 1 1 A 58 58 LEU CB C 58 41.891 41.395 0.496 1
1 638 . 11 1 1 A 58 58 LEU N N 58 122.146 121.590 0.556 1
1 639 . 11 1 1 A 59 59 PRO HA H 59 4.489 4.754 -0.265 1
1 645 . 11 1 1 A 59 59 PRO C C 59 176.849 176.150 0.699 1
1 646 . 11 1 1 A 59 59 PRO CA C 59 63.047 62.458 0.589 1
1 647 . 11 1 1 A 59 59 PRO CB C 59 32.066 29.694 2.372 1
1 650 . 11 1 1 A 60 60 GLN H H 60 8.496 8.063 0.433 1
1 651 . 11 1 1 A 60 60 GLN HA H 60 4.595 4.779 -0.184 1
1 658 . 11 1 1 A 60 60 GLN C C 60 174.178 173.015 1.163 1
1 659 . 11 1 1 A 60 60 GLN CA C 60 53.464 52.609 0.855 1
1 660 . 11 1 1 A 60 60 GLN CB C 60 28.989 32.396 -3.407 1
1 662 . 11 1 1 A 60 60 GLN N N 60 121.828 122.949 -1.121 1
1 664 . 11 1 1 A 61 61 PRO HA H 61 4.397 4.720 -0.323 1
1 670 . 11 1 1 A 61 61 PRO C C 61 176.634 176.069 0.565 1
1 671 . 11 1 1 A 61 61 PRO CA C 61 63.150 62.983 0.167 1
1 672 . 11 1 1 A 61 61 PRO CB C 61 32.103 31.733 0.370 1
1 675 . 11 1 1 A 62 62 ALA H H 62 8.445 8.501 -0.056 1
1 676 . 11 1 1 A 62 62 ALA HA H 62 4.280 4.864 -0.584 1
1 680 . 11 1 1 A 62 62 ALA C C 62 177.871 175.678 2.193 1
1 681 . 11 1 1 A 62 62 ALA CA C 62 52.522 51.047 1.475 1
1 682 . 11 1 1 A 62 62 ALA CB C 62 19.309 21.938 -2.629 1
1 683 . 11 1 1 A 62 62 ALA N N 62 124.460 125.127 -0.667 1
1 684 . 11 1 1 A 63 63 GLU H H 63 8.410 8.979 -0.569 1
1 685 . 11 1 1 A 63 63 GLU HA H 63 4.287 4.500 -0.213 1
1 689 . 11 1 1 A 63 63 GLU C C 63 176.521 175.008 1.513 1
1 690 . 11 1 1 A 63 63 GLU CA C 63 56.478 55.372 1.106 1
1 691 . 11 1 1 A 63 63 GLU CB C 63 30.371 28.846 1.525 1
1 693 . 11 1 1 A 63 63 GLU N N 63 120.216 124.468 -4.252 1
1 694 . 11 1 1 A 64 64 VAL H H 64 8.221 7.597 0.624 1
1 695 . 11 1 1 A 64 64 VAL HA H 64 4.177 4.793 -0.616 1
1 703 . 11 1 1 A 64 64 VAL C C 64 176.179 173.896 2.283 1
1 704 . 11 1 1 A 64 64 VAL CA C 64 62.212 59.946 2.266 1
1 705 . 11 1 1 A 64 64 VAL CB C 64 32.875 34.229 -1.354 1
1 708 . 11 1 1 A 64 64 VAL N N 64 121.436 124.169 -2.733 1
1 709 . 11 1 1 A 65 65 SER H H 65 8.421 8.849 -0.428 1
1 710 . 11 1 1 A 65 65 SER HA H 65 4.500 5.077 -0.577 1
1 713 . 11 1 1 A 65 65 SER C C 65 174.560 174.978 -0.418 1
1 714 . 11 1 1 A 65 65 SER CA C 65 58.411 56.846 1.565 1
1 715 . 11 1 1 A 65 65 SER CB C 65 63.999 65.145 -1.146 1
1 716 . 11 1 1 A 65 65 SER N N 65 119.752 122.873 -3.121 1
1 717 . 11 1 1 A 66 66 GLY H H 66 8.268 8.568 -0.300 1
1 718 . 11 1 1 A 66 66 GLY HA2 H 66 4.065 4.005 0.060 1
1 719 . 11 1 1 A 66 66 GLY HA3 H 66 4.191 4.006 0.185 1
1 720 . 11 1 1 A 66 66 GLY C C 66 171.744 174.315 -2.571 1
1 721 . 11 1 1 A 66 66 GLY CA C 66 44.679 46.350 -1.671 1
1 722 . 11 1 1 A 66 66 GLY N N 66 110.950 114.340 -3.390 1
1 723 . 11 1 1 A 67 67 PRO HA H 67 4.481 4.564 -0.083 1
1 728 . 11 1 1 A 67 67 PRO C C 67 177.427 177.119 0.308 1
1 729 . 11 1 1 A 67 67 PRO CA C 67 63.264 62.668 0.596 1
1 730 . 11 1 1 A 67 67 PRO CB C 67 32.200 31.612 0.588 1
1 733 . 11 1 1 A 68 68 SER H H 68 8.543 8.275 0.268 1
1 734 . 11 1 1 A 68 68 SER HA H 68 4.559 4.613 -0.054 1
1 737 . 11 1 1 A 68 68 SER C C 68 174.726 174.519 0.207 1
1 738 . 11 1 1 A 68 68 SER CA C 68 58.368 59.946 -1.578 1
1 739 . 11 1 1 A 68 68 SER CB C 68 63.934 64.091 -0.157 1
1 740 . 11 1 1 A 68 68 SER N N 68 116.507 119.934 -3.427 1
1 741 . 11 1 1 A 69 69 SER H H 69 8.349 8.826 -0.477 1
1 742 . 11 1 1 A 69 69 SER HA H 69 4.507 5.017 -0.510 1
1 745 . 11 1 1 A 69 69 SER C C 69 173.960 173.533 0.427 1
1 746 . 11 1 1 A 69 69 SER CA C 69 58.355 57.862 0.493 1
1 747 . 11 1 1 A 69 69 SER CB C 69 63.993 66.441 -2.448 1
1 748 . 11 1 1 A 69 69 SER N N 69 117.971 118.012 -0.041 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.533 5.036 -0.503 1
1 4 . 12 1 1 A 6 6 SER C C 6 174.513 172.691 1.822 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.407 57.621 0.786 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.873 66.735 -2.862 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.204 8.687 -0.483 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 4.085 4.552 -0.467 1
1 9 . 12 1 1 A 7 7 GLY C C 7 171.507 171.729 -0.222 1
1 10 . 12 1 1 A 7 7 GLY CA C 7 44.598 46.004 -1.406 1
1 11 . 12 1 1 A 7 7 GLY N N 7 110.772 112.726 -1.954 1
1 12 . 12 1 1 A 8 8 PRO HA H 8 4.421 4.578 -0.157 1
1 17 . 12 1 1 A 8 8 PRO C C 8 176.943 176.524 0.419 1
1 18 . 12 1 1 A 8 8 PRO CA C 8 62.917 62.343 0.574 1
1 19 . 12 1 1 A 8 8 PRO CB C 8 32.101 32.836 -0.735 1
1 22 . 12 1 1 A 9 9 LEU H H 9 8.334 8.315 0.019 1
1 23 . 12 1 1 A 9 9 LEU HA H 9 4.584 4.361 0.223 1
1 33 . 12 1 1 A 9 9 LEU C C 9 175.412 174.939 0.473 1
1 34 . 12 1 1 A 9 9 LEU CA C 9 53.030 53.697 -0.667 1
1 35 . 12 1 1 A 9 9 LEU CB C 9 41.804 41.388 0.416 1
1 39 . 12 1 1 A 9 9 LEU N N 9 123.997 123.028 0.969 1
1 40 . 12 1 1 A 10 10 PRO HA H 10 4.425 4.564 -0.139 1
1 46 . 12 1 1 A 10 10 PRO C C 10 176.530 176.496 0.034 1
1 47 . 12 1 1 A 10 10 PRO CA C 10 62.801 62.827 -0.026 1
1 48 . 12 1 1 A 10 10 PRO CB C 10 31.871 32.459 -0.588 1
1 51 . 12 1 1 A 11 11 ILE H H 11 8.216 8.328 -0.112 1
1 52 . 12 1 1 A 11 11 ILE HA H 11 4.429 4.508 -0.079 1
1 62 . 12 1 1 A 11 11 ILE C C 11 174.437 174.216 0.221 1
1 63 . 12 1 1 A 11 11 ILE CA C 11 58.548 58.369 0.179 1
1 64 . 12 1 1 A 11 11 ILE CB C 11 38.746 39.145 -0.399 1
1 68 . 12 1 1 A 11 11 ILE N N 11 123.082 118.152 4.930 1
1 72 . 12 1 1 A 16 16 PRO HA H 16 4.575 4.548 0.027 1
1 78 . 12 1 1 A 16 16 PRO C C 16 175.885 175.083 0.802 1
1 79 . 12 1 1 A 16 16 PRO CA C 16 63.146 62.618 0.528 1
1 80 . 12 1 1 A 16 16 PRO CB C 16 32.894 32.239 0.655 1
1 83 . 12 1 1 A 17 17 ASP H H 17 8.822 8.411 0.411 1
1 84 . 12 1 1 A 17 17 ASP HA H 17 4.832 4.894 -0.062 1
1 87 . 12 1 1 A 17 17 ASP C C 17 174.878 176.156 -1.278 1
1 88 . 12 1 1 A 17 17 ASP CA C 17 52.473 53.617 -1.144 1
1 89 . 12 1 1 A 17 17 ASP CB C 17 42.755 41.510 1.245 1
1 90 . 12 1 1 A 17 17 ASP N N 17 121.885 120.704 1.181 1
1 91 . 12 1 1 A 18 18 ILE H H 18 8.259 8.586 -0.327 1
1 92 . 12 1 1 A 18 18 ILE HA H 18 3.889 3.901 -0.012 1
1 102 . 12 1 1 A 18 18 ILE C C 18 178.346 177.125 1.221 1
1 103 . 12 1 1 A 18 18 ILE CA C 18 59.806 61.596 -1.790 1
1 104 . 12 1 1 A 18 18 ILE CB C 18 38.247 38.369 -0.122 1
1 108 . 12 1 1 A 18 18 ILE N N 18 118.184 125.300 -7.116 1
1 109 . 12 1 1 A 19 19 GLN H H 19 8.404 8.127 0.277 1
1 110 . 12 1 1 A 19 19 GLN HA H 19 4.199 4.151 0.048 1
1 117 . 12 1 1 A 19 19 GLN C C 19 175.287 174.316 0.971 1
1 118 . 12 1 1 A 19 19 GLN CA C 19 60.889 60.760 0.129 1
1 119 . 12 1 1 A 19 19 GLN CB C 19 26.552 26.854 -0.302 1
1 121 . 12 1 1 A 19 19 GLN N N 19 123.230 122.203 1.027 1
1 123 . 12 1 1 A 20 20 PRO HA H 20 4.217 4.263 -0.046 1
1 130 . 12 1 1 A 20 20 PRO C C 20 179.677 179.398 0.279 1
1 131 . 12 1 1 A 20 20 PRO CA C 20 65.855 66.168 -0.313 1
1 132 . 12 1 1 A 20 20 PRO CB C 20 31.439 30.697 0.742 1
1 135 . 12 1 1 A 21 21 LEU H H 21 7.026 7.496 -0.470 1
1 136 . 12 1 1 A 21 21 LEU HA H 21 3.885 4.129 -0.244 1
1 146 . 12 1 1 A 21 21 LEU C C 21 177.599 178.572 -0.973 1
1 147 . 12 1 1 A 21 21 LEU CA C 21 58.435 57.523 0.912 1
1 148 . 12 1 1 A 21 21 LEU CB C 21 37.236 40.897 -3.661 1
1 152 . 12 1 1 A 21 21 LEU N N 21 116.369 117.211 -0.842 1
1 153 . 12 1 1 A 22 22 GLU H H 22 7.611 8.287 -0.676 1
1 154 . 12 1 1 A 22 22 GLU HA H 22 4.309 4.125 0.184 1
1 159 . 12 1 1 A 22 22 GLU C C 22 180.755 179.401 1.354 1
1 160 . 12 1 1 A 22 22 GLU CA C 22 59.887 59.855 0.032 1
1 161 . 12 1 1 A 22 22 GLU CB C 22 29.715 29.305 0.410 1
1 163 . 12 1 1 A 22 22 GLU N N 22 119.345 116.986 2.359 1
1 164 . 12 1 1 A 23 23 ARG H H 23 8.662 8.455 0.207 1
1 165 . 12 1 1 A 23 23 ARG HA H 23 4.143 4.158 -0.015 1
1 172 . 12 1 1 A 23 23 ARG C C 23 179.115 178.933 0.182 1
1 173 . 12 1 1 A 23 23 ARG CA C 23 59.453 59.756 -0.303 1
1 174 . 12 1 1 A 23 23 ARG CB C 23 30.628 30.016 0.612 1
1 177 . 12 1 1 A 23 23 ARG N N 23 119.060 119.266 -0.206 1
1 178 . 12 1 1 A 24 24 TYR H H 24 7.798 7.896 -0.098 1
1 179 . 12 1 1 A 24 24 TYR HA H 24 4.349 4.440 -0.091 1
1 186 . 12 1 1 A 24 24 TYR C C 24 178.627 177.749 0.878 1
1 187 . 12 1 1 A 24 24 TYR CA C 24 61.883 61.749 0.134 1
1 188 . 12 1 1 A 24 24 TYR CB C 24 39.326 38.650 0.676 1
1 193 . 12 1 1 A 24 24 TYR N N 24 122.046 120.847 1.199 1
1 194 . 12 1 1 A 25 25 TRP H H 25 9.612 8.698 0.914 1
1 195 . 12 1 1 A 25 25 TRP HA H 25 4.680 4.402 0.278 1
1 204 . 12 1 1 A 25 25 TRP C C 25 178.218 179.049 -0.831 1
1 205 . 12 1 1 A 25 25 TRP CA C 25 60.775 61.279 -0.504 1
1 206 . 12 1 1 A 25 25 TRP CB C 25 29.956 29.473 0.483 1
1 212 . 12 1 1 A 25 25 TRP N N 25 121.351 121.749 -0.398 1
1 214 . 12 1 1 A 26 26 ALA H H 26 8.336 8.433 -0.097 1
1 215 . 12 1 1 A 26 26 ALA HA H 26 3.911 3.990 -0.079 1
1 219 . 12 1 1 A 26 26 ALA C C 26 178.850 179.695 -0.845 1
1 220 . 12 1 1 A 26 26 ALA CA C 26 54.720 54.195 0.525 1
1 221 . 12 1 1 A 26 26 ALA CB C 26 18.147 18.408 -0.261 1
1 222 . 12 1 1 A 26 26 ALA N N 26 118.991 121.437 -2.446 1
1 223 . 12 1 1 A 27 27 ALA H H 27 7.261 7.909 -0.648 1
1 224 . 12 1 1 A 27 27 ALA HA H 27 4.071 4.068 0.003 1
1 228 . 12 1 1 A 27 27 ALA C C 27 178.433 178.909 -0.476 1
1 229 . 12 1 1 A 27 27 ALA CA C 27 53.440 54.704 -1.264 1
1 230 . 12 1 1 A 27 27 ALA CB C 27 18.789 19.072 -0.283 1
1 231 . 12 1 1 A 27 27 ALA N N 27 116.928 120.023 -3.095 1
1 232 . 12 1 1 A 28 28 HIS H H 28 7.810 7.966 -0.156 1
1 233 . 12 1 1 A 28 28 HIS HA H 28 4.574 4.508 0.066 1
1 238 . 12 1 1 A 28 28 HIS C C 28 175.351 174.910 0.441 1
1 239 . 12 1 1 A 28 28 HIS CA C 28 56.709 56.348 0.361 1
1 240 . 12 1 1 A 28 28 HIS CB C 28 31.928 31.405 0.523 1
1 243 . 12 1 1 A 28 28 HIS N N 28 113.337 110.971 2.366 1
1 244 . 12 1 1 A 29 29 GLN H H 29 8.811 7.861 0.950 1
1 245 . 12 1 1 A 29 29 GLN HA H 29 2.344 3.213 -0.869 1
1 251 . 12 1 1 A 29 29 GLN C C 29 173.677 174.255 -0.578 1
1 252 . 12 1 1 A 29 29 GLN CA C 29 57.111 56.536 0.575 1
1 253 . 12 1 1 A 29 29 GLN CB C 29 26.795 26.990 -0.195 1
1 255 . 12 1 1 A 29 29 GLN N N 29 115.607 118.427 -2.820 1
1 257 . 12 1 1 A 30 30 GLN H H 30 7.465 7.580 -0.115 1
1 258 . 12 1 1 A 30 30 GLN HA H 30 4.607 4.930 -0.323 1
1 265 . 12 1 1 A 30 30 GLN C C 30 173.052 174.497 -1.445 1
1 266 . 12 1 1 A 30 30 GLN CA C 30 54.807 54.754 0.053 1
1 267 . 12 1 1 A 30 30 GLN CB C 30 30.766 31.976 -1.210 1
1 269 . 12 1 1 A 30 30 GLN N N 30 112.695 117.562 -4.867 1
1 271 . 12 1 1 A 31 31 LEU H H 31 8.805 8.810 -0.005 1
1 272 . 12 1 1 A 31 31 LEU HA H 31 4.440 4.965 -0.525 1
1 282 . 12 1 1 A 31 31 LEU C C 31 176.017 175.035 0.982 1
1 283 . 12 1 1 A 31 31 LEU CA C 31 54.608 54.454 0.154 1
1 284 . 12 1 1 A 31 31 LEU CB C 31 42.819 43.730 -0.911 1
1 288 . 12 1 1 A 31 31 LEU N N 31 121.685 127.953 -6.268 1
1 289 . 12 1 1 A 32 32 ARG H H 32 7.422 8.727 -1.305 1
1 290 . 12 1 1 A 32 32 ARG HA H 32 4.574 4.764 -0.190 1
1 297 . 12 1 1 A 32 32 ARG C C 32 177.277 176.607 0.670 1
1 298 . 12 1 1 A 32 32 ARG CA C 32 55.071 53.908 1.163 1
1 299 . 12 1 1 A 32 32 ARG CB C 32 29.854 33.093 -3.239 1
1 302 . 12 1 1 A 32 32 ARG N N 32 126.338 125.793 0.545 1
1 303 . 12 1 1 A 33 33 GLU H H 33 9.164 9.033 0.131 1
1 304 . 12 1 1 A 33 33 GLU HA H 33 3.766 4.032 -0.266 1
1 309 . 12 1 1 A 33 33 GLU C C 33 178.939 178.634 0.305 1
1 310 . 12 1 1 A 33 33 GLU CA C 33 60.097 59.273 0.824 1
1 311 . 12 1 1 A 33 33 GLU CB C 33 29.340 29.322 0.018 1
1 313 . 12 1 1 A 33 33 GLU N N 33 126.822 123.277 3.545 1
1 314 . 12 1 1 A 34 34 THR H H 34 7.785 7.962 -0.177 1
1 315 . 12 1 1 A 34 34 THR HA H 34 4.055 3.988 0.067 1
1 320 . 12 1 1 A 34 34 THR C C 34 175.387 176.593 -1.206 1
1 321 . 12 1 1 A 34 34 THR CA C 34 63.631 65.436 -1.805 1
1 322 . 12 1 1 A 34 34 THR CB C 34 68.560 68.654 -0.094 1
1 324 . 12 1 1 A 34 34 THR N N 34 108.953 115.979 -7.026 1
1 325 . 12 1 1 A 35 35 ASP H H 35 7.841 8.190 -0.349 1
1 326 . 12 1 1 A 35 35 ASP HA H 35 4.928 4.293 0.635 1
1 329 . 12 1 1 A 35 35 ASP C C 35 175.827 177.727 -1.900 1
1 330 . 12 1 1 A 35 35 ASP CA C 35 55.169 54.742 0.427 1
1 331 . 12 1 1 A 35 35 ASP CB C 35 41.057 40.263 0.794 1
1 332 . 12 1 1 A 35 35 ASP N N 35 119.019 119.154 -0.135 1
1 333 . 12 1 1 A 36 36 ILE H H 36 7.388 7.826 -0.438 1
1 334 . 12 1 1 A 36 36 ILE HA H 36 3.495 3.629 -0.134 1
1 344 . 12 1 1 A 36 36 ILE C C 36 174.161 175.239 -1.078 1
1 345 . 12 1 1 A 36 36 ILE CA C 36 67.912 66.175 1.737 1
1 346 . 12 1 1 A 36 36 ILE CB C 36 35.457 35.150 0.307 1
1 350 . 12 1 1 A 36 36 ILE N N 36 119.567 120.998 -1.431 1
1 351 . 12 1 1 A 37 37 PRO HA H 37 4.232 4.287 -0.055 1
1 358 . 12 1 1 A 37 37 PRO C C 37 179.572 178.782 0.790 1
1 359 . 12 1 1 A 37 37 PRO CA C 37 66.890 65.511 1.379 1
1 360 . 12 1 1 A 37 37 PRO CB C 37 30.704 30.594 0.110 1
1 363 . 12 1 1 A 38 38 GLN H H 38 7.837 8.059 -0.222 1
1 364 . 12 1 1 A 38 38 GLN HA H 38 4.143 4.040 0.103 1
1 371 . 12 1 1 A 38 38 GLN C C 38 178.918 178.271 0.647 1
1 372 . 12 1 1 A 38 38 GLN CA C 38 59.171 58.879 0.292 1
1 373 . 12 1 1 A 38 38 GLN CB C 38 27.986 28.112 -0.126 1
1 375 . 12 1 1 A 38 38 GLN N N 38 117.627 117.412 0.215 1
1 377 . 12 1 1 A 39 39 LEU H H 39 7.991 8.033 -0.042 1
1 378 . 12 1 1 A 39 39 LEU HA H 39 3.995 3.992 0.003 1
1 388 . 12 1 1 A 39 39 LEU C C 39 180.831 178.665 2.166 1
1 389 . 12 1 1 A 39 39 LEU CA C 39 57.722 57.543 0.179 1
1 390 . 12 1 1 A 39 39 LEU CB C 39 42.314 41.387 0.927 1
1 394 . 12 1 1 A 39 39 LEU N N 39 121.128 119.772 1.356 1
1 395 . 12 1 1 A 40 40 SER H H 40 8.980 8.095 0.885 1
1 396 . 12 1 1 A 40 40 SER HA H 40 4.086 4.016 0.070 1
1 399 . 12 1 1 A 40 40 SER C C 40 176.517 177.009 -0.492 1
1 400 . 12 1 1 A 40 40 SER CA C 40 60.859 61.425 -0.566 1
1 401 . 12 1 1 A 40 40 SER CB C 40 63.255 63.004 0.251 1
1 402 . 12 1 1 A 40 40 SER N N 40 117.510 113.865 3.645 1
1 403 . 12 1 1 A 41 41 GLN H H 41 8.074 7.417 0.657 1
1 404 . 12 1 1 A 41 41 GLN HA H 41 4.014 4.114 -0.100 1
1 411 . 12 1 1 A 41 41 GLN C C 41 178.637 177.842 0.795 1
1 412 . 12 1 1 A 41 41 GLN CA C 41 58.955 58.169 0.786 1
1 413 . 12 1 1 A 41 41 GLN CB C 41 28.421 28.224 0.197 1
1 415 . 12 1 1 A 41 41 GLN N N 41 120.218 121.338 -1.120 1
1 417 . 12 1 1 A 42 42 ALA H H 42 8.149 7.922 0.227 1
1 418 . 12 1 1 A 42 42 ALA HA H 42 4.162 4.219 -0.057 1
1 422 . 12 1 1 A 42 42 ALA C C 42 178.442 179.886 -1.444 1
1 423 . 12 1 1 A 42 42 ALA CA C 42 54.567 54.855 -0.288 1
1 424 . 12 1 1 A 42 42 ALA CB C 42 19.202 18.680 0.522 1
1 425 . 12 1 1 A 42 42 ALA N N 42 118.903 123.063 -4.160 1
1 426 . 12 1 1 A 43 43 SER H H 43 7.784 8.135 -0.351 1
1 427 . 12 1 1 A 43 43 SER HA H 43 4.851 4.820 0.031 1
1 430 . 12 1 1 A 43 43 SER C C 43 175.304 173.126 2.178 1
1 431 . 12 1 1 A 43 43 SER CA C 43 59.180 58.279 0.901 1
1 432 . 12 1 1 A 43 43 SER CB C 43 66.897 63.109 3.788 1
1 433 . 12 1 1 A 43 43 SER N N 43 109.522 112.881 -3.359 1
1 434 . 12 1 1 A 44 44 ARG H H 44 7.799 7.831 -0.032 1
1 435 . 12 1 1 A 44 44 ARG HA H 44 3.872 3.835 0.037 1
1 441 . 12 1 1 A 44 44 ARG C C 44 175.312 174.557 0.755 1
1 442 . 12 1 1 A 44 44 ARG CA C 44 58.582 57.281 1.301 1
1 443 . 12 1 1 A 44 44 ARG CB C 44 26.661 27.009 -0.348 1
1 446 . 12 1 1 A 44 44 ARG N N 44 114.335 117.440 -3.105 1
1 447 . 12 1 1 A 45 45 LEU H H 45 7.759 7.528 0.231 1
1 448 . 12 1 1 A 45 45 LEU HA H 45 4.571 4.931 -0.360 1
1 458 . 12 1 1 A 45 45 LEU C C 45 177.069 176.684 0.385 1
1 459 . 12 1 1 A 45 45 LEU CA C 45 53.471 53.044 0.427 1
1 460 . 12 1 1 A 45 45 LEU CB C 45 43.845 44.700 -0.855 1
1 464 . 12 1 1 A 45 45 LEU N N 45 120.316 118.763 1.553 1
1 465 . 12 1 1 A 46 46 SER H H 46 9.062 8.679 0.383 1
1 466 . 12 1 1 A 46 46 SER HA H 46 4.446 4.908 -0.462 1
1 469 . 12 1 1 A 46 46 SER C C 46 174.731 176.189 -1.458 1
1 470 . 12 1 1 A 46 46 SER CA C 46 57.302 56.518 0.784 1
1 471 . 12 1 1 A 46 46 SER CB C 46 65.202 65.805 -0.603 1
1 472 . 12 1 1 A 46 46 SER N N 46 117.855 113.794 4.061 1
1 473 . 12 1 1 A 47 47 THR H H 47 8.770 8.891 -0.121 1
1 474 . 12 1 1 A 47 47 THR HA H 47 3.578 3.855 -0.277 1
1 479 . 12 1 1 A 47 47 THR C C 47 176.003 176.378 -0.375 1
1 480 . 12 1 1 A 47 47 THR CA C 47 67.477 65.711 1.766 1
1 481 . 12 1 1 A 47 47 THR CB C 47 68.317 68.617 -0.300 1
1 483 . 12 1 1 A 47 47 THR N N 47 115.428 118.061 -2.633 1
1 484 . 12 1 1 A 48 48 GLN H H 48 8.292 7.668 0.624 1
1 485 . 12 1 1 A 48 48 GLN HA H 48 3.890 4.042 -0.152 1
1 492 . 12 1 1 A 48 48 GLN C C 48 177.625 178.058 -0.433 1
1 493 . 12 1 1 A 48 48 GLN CA C 48 58.482 59.023 -0.541 1
1 494 . 12 1 1 A 48 48 GLN CB C 48 28.614 28.593 0.021 1
1 496 . 12 1 1 A 48 48 GLN N N 48 119.078 119.895 -0.817 1
1 498 . 12 1 1 A 49 49 GLN H H 49 7.765 8.057 -0.292 1
1 499 . 12 1 1 A 49 49 GLN HA H 49 4.153 3.989 0.164 1
1 506 . 12 1 1 A 49 49 GLN C C 49 180.153 178.806 1.347 1
1 507 . 12 1 1 A 49 49 GLN CA C 49 58.927 59.317 -0.390 1
1 508 . 12 1 1 A 49 49 GLN CB C 49 30.030 28.400 1.630 1
1 510 . 12 1 1 A 49 49 GLN N N 49 117.667 118.969 -1.302 1
1 512 . 12 1 1 A 50 50 VAL H H 50 8.465 7.764 0.701 1
1 513 . 12 1 1 A 50 50 VAL HA H 50 3.620 3.785 -0.165 1
1 521 . 12 1 1 A 50 50 VAL C C 50 177.691 178.320 -0.629 1
1 522 . 12 1 1 A 50 50 VAL CA C 50 67.588 66.580 1.008 1
1 523 . 12 1 1 A 50 50 VAL CB C 50 31.470 31.271 0.199 1
1 526 . 12 1 1 A 50 50 VAL N N 50 122.227 120.010 2.217 1
1 527 . 12 1 1 A 51 51 LEU H H 51 8.119 8.194 -0.075 1
1 528 . 12 1 1 A 51 51 LEU HA H 51 3.975 3.957 0.018 1
1 538 . 12 1 1 A 51 51 LEU C C 51 179.950 178.972 0.978 1
1 539 . 12 1 1 A 51 51 LEU CA C 51 59.206 58.118 1.088 1
1 540 . 12 1 1 A 51 51 LEU CB C 51 41.515 41.085 0.430 1
1 544 . 12 1 1 A 51 51 LEU N N 51 120.724 120.107 0.617 1
1 545 . 12 1 1 A 52 52 ASP H H 52 8.780 8.146 0.634 1
1 546 . 12 1 1 A 52 52 ASP HA H 52 4.344 4.406 -0.062 1
1 549 . 12 1 1 A 52 52 ASP C C 52 178.654 178.556 0.098 1
1 550 . 12 1 1 A 52 52 ASP CA C 52 57.310 56.910 0.400 1
1 551 . 12 1 1 A 52 52 ASP CB C 52 40.418 40.392 0.026 1
1 552 . 12 1 1 A 52 52 ASP N N 52 118.559 119.022 -0.463 1
1 553 . 12 1 1 A 53 53 TRP H H 53 8.180 8.264 -0.084 1
1 554 . 12 1 1 A 53 53 TRP HA H 53 3.905 4.391 -0.486 1
1 563 . 12 1 1 A 53 53 TRP C C 53 180.216 178.231 1.985 1
1 564 . 12 1 1 A 53 53 TRP CA C 53 62.801 61.184 1.617 1
1 565 . 12 1 1 A 53 53 TRP CB C 53 29.117 30.050 -0.933 1
1 571 . 12 1 1 A 53 53 TRP N N 53 123.121 121.983 1.138 1
1 573 . 12 1 1 A 54 54 PHE H H 54 8.371 8.455 -0.084 1
1 574 . 12 1 1 A 54 54 PHE HA H 54 3.786 4.024 -0.238 1
1 582 . 12 1 1 A 54 54 PHE C C 54 178.605 177.448 1.157 1
1 583 . 12 1 1 A 54 54 PHE CA C 54 63.242 62.265 0.977 1
1 584 . 12 1 1 A 54 54 PHE CB C 54 39.446 38.693 0.753 1
1 590 . 12 1 1 A 54 54 PHE N N 54 117.319 117.840 -0.521 1
1 591 . 12 1 1 A 55 55 ASP H H 55 8.609 7.978 0.631 1
1 592 . 12 1 1 A 55 55 ASP HA H 55 4.499 4.303 0.196 1
1 595 . 12 1 1 A 55 55 ASP C C 55 177.993 178.103 -0.110 1
1 596 . 12 1 1 A 55 55 ASP CA C 55 57.370 57.397 -0.027 1
1 597 . 12 1 1 A 55 55 ASP CB C 55 41.096 41.180 -0.084 1
1 598 . 12 1 1 A 55 55 ASP N N 55 120.805 119.703 1.102 1
1 599 . 12 1 1 A 56 56 SER H H 56 7.450 7.629 -0.179 1
1 600 . 12 1 1 A 56 56 SER HA H 56 4.236 4.007 0.229 1
1 603 . 12 1 1 A 56 56 SER C C 56 174.228 177.004 -2.776 1
1 604 . 12 1 1 A 56 56 SER CA C 56 59.538 61.190 -1.652 1
1 605 . 12 1 1 A 56 56 SER CB C 56 63.340 62.767 0.573 1
1 606 . 12 1 1 A 56 56 SER N N 56 111.640 113.465 -1.825 1
1 607 . 12 1 1 A 57 57 ARG H H 57 7.061 7.490 -0.429 1
1 608 . 12 1 1 A 57 57 ARG HA H 57 3.803 3.925 -0.122 1
1 615 . 12 1 1 A 57 57 ARG C C 57 175.909 176.545 -0.636 1
1 616 . 12 1 1 A 57 57 ARG CA C 57 55.254 58.589 -3.335 1
1 617 . 12 1 1 A 57 57 ARG CB C 57 30.216 29.168 1.048 1
1 620 . 12 1 1 A 57 57 ARG N N 57 120.670 119.167 1.503 1
1 621 . 12 1 1 A 58 58 LEU H H 58 7.519 7.645 -0.126 1
1 622 . 12 1 1 A 58 58 LEU HA H 58 4.611 4.708 -0.097 1
1 632 . 12 1 1 A 58 58 LEU C C 58 174.867 175.260 -0.393 1
1 633 . 12 1 1 A 58 58 LEU CA C 58 53.322 52.895 0.427 1
1 634 . 12 1 1 A 58 58 LEU CB C 58 41.891 42.173 -0.282 1
1 638 . 12 1 1 A 58 58 LEU N N 58 122.146 117.529 4.617 1
1 639 . 12 1 1 A 59 59 PRO HA H 59 4.489 4.722 -0.233 1
1 645 . 12 1 1 A 59 59 PRO C C 59 176.849 177.098 -0.249 1
1 646 . 12 1 1 A 59 59 PRO CA C 59 63.047 62.631 0.416 1
1 647 . 12 1 1 A 59 59 PRO CB C 59 32.066 31.620 0.446 1
1 650 . 12 1 1 A 60 60 GLN H H 60 8.496 8.275 0.221 1
1 651 . 12 1 1 A 60 60 GLN HA H 60 4.595 4.400 0.195 1
1 658 . 12 1 1 A 60 60 GLN C C 60 174.178 174.376 -0.198 1
1 659 . 12 1 1 A 60 60 GLN CA C 60 53.464 54.810 -1.346 1
1 660 . 12 1 1 A 60 60 GLN CB C 60 28.989 28.220 0.769 1
1 662 . 12 1 1 A 60 60 GLN N N 60 121.828 122.185 -0.357 1
1 664 . 12 1 1 A 61 61 PRO HA H 61 4.397 4.719 -0.322 1
1 670 . 12 1 1 A 61 61 PRO C C 61 176.634 175.753 0.881 1
1 671 . 12 1 1 A 61 61 PRO CA C 61 63.150 62.760 0.390 1
1 672 . 12 1 1 A 61 61 PRO CB C 61 32.103 31.293 0.810 1
1 675 . 12 1 1 A 62 62 ALA H H 62 8.445 8.538 -0.093 1
1 676 . 12 1 1 A 62 62 ALA HA H 62 4.280 4.820 -0.540 1
1 680 . 12 1 1 A 62 62 ALA C C 62 177.871 176.287 1.584 1
1 681 . 12 1 1 A 62 62 ALA CA C 62 52.522 50.382 2.140 1
1 682 . 12 1 1 A 62 62 ALA CB C 62 19.309 22.933 -3.624 1
1 683 . 12 1 1 A 62 62 ALA N N 62 124.460 125.743 -1.283 1
1 684 . 12 1 1 A 63 63 GLU H H 63 8.410 8.732 -0.322 1
1 685 . 12 1 1 A 63 63 GLU HA H 63 4.287 3.744 0.543 1
1 689 . 12 1 1 A 63 63 GLU C C 63 176.521 175.509 1.012 1
1 690 . 12 1 1 A 63 63 GLU CA C 63 56.478 57.142 -0.664 1
1 691 . 12 1 1 A 63 63 GLU CB C 63 30.371 27.760 2.611 1
1 693 . 12 1 1 A 63 63 GLU N N 63 120.216 115.135 5.081 1
1 694 . 12 1 1 A 64 64 VAL H H 64 8.221 7.845 0.376 1
1 695 . 12 1 1 A 64 64 VAL HA H 64 4.177 4.111 0.066 1
1 703 . 12 1 1 A 64 64 VAL C C 64 176.179 175.319 0.860 1
1 704 . 12 1 1 A 64 64 VAL CA C 64 62.212 61.831 0.381 1
1 705 . 12 1 1 A 64 64 VAL CB C 64 32.875 32.241 0.634 1
1 708 . 12 1 1 A 64 64 VAL N N 64 121.436 120.666 0.770 1
1 709 . 12 1 1 A 65 65 SER H H 65 8.421 8.647 -0.226 1
1 710 . 12 1 1 A 65 65 SER HA H 65 4.500 4.178 0.322 1
1 713 . 12 1 1 A 65 65 SER C C 65 174.560 174.812 -0.252 1
1 714 . 12 1 1 A 65 65 SER CA C 65 58.411 59.795 -1.384 1
1 715 . 12 1 1 A 65 65 SER CB C 65 63.999 63.682 0.317 1
1 716 . 12 1 1 A 65 65 SER N N 65 119.752 123.124 -3.372 1
1 717 . 12 1 1 A 66 66 GLY H H 66 8.268 8.410 -0.142 1
1 718 . 12 1 1 A 66 66 GLY HA2 H 66 4.065 4.163 -0.098 1
1 719 . 12 1 1 A 66 66 GLY HA3 H 66 4.191 4.164 0.027 1
1 720 . 12 1 1 A 66 66 GLY C C 66 171.744 174.042 -2.298 1
1 721 . 12 1 1 A 66 66 GLY CA C 66 44.679 45.271 -0.592 1
1 722 . 12 1 1 A 66 66 GLY N N 66 110.950 110.079 0.871 1
1 723 . 12 1 1 A 67 67 PRO HA H 67 4.481 4.501 -0.020 1
1 728 . 12 1 1 A 67 67 PRO C C 67 177.427 176.597 0.830 1
1 729 . 12 1 1 A 67 67 PRO CA C 67 63.264 64.254 -0.990 1
1 730 . 12 1 1 A 67 67 PRO CB C 67 32.200 31.817 0.383 1
1 733 . 12 1 1 A 68 68 SER H H 68 8.543 7.691 0.852 1
1 734 . 12 1 1 A 68 68 SER HA H 68 4.559 4.405 0.154 1
1 737 . 12 1 1 A 68 68 SER C C 68 174.726 173.904 0.822 1
1 738 . 12 1 1 A 68 68 SER CA C 68 58.368 58.047 0.321 1
1 739 . 12 1 1 A 68 68 SER CB C 68 63.934 64.290 -0.356 1
1 740 . 12 1 1 A 68 68 SER N N 68 116.507 115.043 1.464 1
1 741 . 12 1 1 A 69 69 SER H H 69 8.349 8.529 -0.180 1
1 742 . 12 1 1 A 69 69 SER HA H 69 4.507 5.057 -0.550 1
1 745 . 12 1 1 A 69 69 SER C C 69 173.960 174.125 -0.165 1
1 746 . 12 1 1 A 69 69 SER CA C 69 58.355 56.389 1.966 1
1 747 . 12 1 1 A 69 69 SER CB C 69 63.993 65.764 -1.771 1
1 748 . 12 1 1 A 69 69 SER N N 69 117.971 116.510 1.461 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.533 4.814 -0.281 1
1 4 . 13 1 1 A 6 6 SER C C 6 174.513 175.291 -0.778 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.407 58.188 0.219 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.873 64.827 -0.954 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.204 8.431 -0.227 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 4.085 3.896 0.189 1
1 9 . 13 1 1 A 7 7 GLY C C 7 171.507 173.803 -2.296 1
1 10 . 13 1 1 A 7 7 GLY CA C 7 44.598 45.703 -1.105 1
1 11 . 13 1 1 A 7 7 GLY N N 7 110.772 112.131 -1.359 1
1 12 . 13 1 1 A 8 8 PRO HA H 8 4.421 4.538 -0.117 1
1 17 . 13 1 1 A 8 8 PRO C C 8 176.943 176.751 0.192 1
1 18 . 13 1 1 A 8 8 PRO CA C 8 62.917 62.741 0.176 1
1 19 . 13 1 1 A 8 8 PRO CB C 8 32.101 32.276 -0.175 1
1 22 . 13 1 1 A 9 9 LEU H H 9 8.334 8.324 0.010 1
1 23 . 13 1 1 A 9 9 LEU HA H 9 4.584 4.452 0.132 1
1 33 . 13 1 1 A 9 9 LEU C C 9 175.412 176.141 -0.729 1
1 34 . 13 1 1 A 9 9 LEU CA C 9 53.030 53.361 -0.331 1
1 35 . 13 1 1 A 9 9 LEU CB C 9 41.804 41.943 -0.139 1
1 39 . 13 1 1 A 9 9 LEU N N 9 123.997 120.351 3.646 1
1 40 . 13 1 1 A 10 10 PRO HA H 10 4.425 4.589 -0.164 1
1 46 . 13 1 1 A 10 10 PRO C C 10 176.530 176.863 -0.333 1
1 47 . 13 1 1 A 10 10 PRO CA C 10 62.801 62.200 0.601 1
1 48 . 13 1 1 A 10 10 PRO CB C 10 31.871 32.491 -0.620 1
1 51 . 13 1 1 A 11 11 ILE H H 11 8.216 8.227 -0.011 1
1 52 . 13 1 1 A 11 11 ILE HA H 11 4.429 4.218 0.211 1
1 62 . 13 1 1 A 11 11 ILE C C 11 174.437 175.633 -1.196 1
1 63 . 13 1 1 A 11 11 ILE CA C 11 58.548 60.404 -1.856 1
1 64 . 13 1 1 A 11 11 ILE CB C 11 38.746 37.918 0.828 1
1 68 . 13 1 1 A 11 11 ILE N N 11 123.082 119.619 3.463 1
1 72 . 13 1 1 A 16 16 PRO HA H 16 4.575 4.550 0.025 1
1 78 . 13 1 1 A 16 16 PRO C C 16 175.885 175.174 0.711 1
1 79 . 13 1 1 A 16 16 PRO CA C 16 63.146 62.594 0.552 1
1 80 . 13 1 1 A 16 16 PRO CB C 16 32.894 32.164 0.730 1
1 83 . 13 1 1 A 17 17 ASP H H 17 8.822 8.429 0.393 1
1 84 . 13 1 1 A 17 17 ASP HA H 17 4.832 4.890 -0.058 1
1 87 . 13 1 1 A 17 17 ASP C C 17 174.878 176.070 -1.192 1
1 88 . 13 1 1 A 17 17 ASP CA C 17 52.473 53.601 -1.128 1
1 89 . 13 1 1 A 17 17 ASP CB C 17 42.755 41.462 1.293 1
1 90 . 13 1 1 A 17 17 ASP N N 17 121.885 120.715 1.170 1
1 91 . 13 1 1 A 18 18 ILE H H 18 8.259 8.558 -0.299 1
1 92 . 13 1 1 A 18 18 ILE HA H 18 3.889 3.837 0.052 1
1 102 . 13 1 1 A 18 18 ILE C C 18 178.346 177.219 1.127 1
1 103 . 13 1 1 A 18 18 ILE CA C 18 59.806 61.633 -1.827 1
1 104 . 13 1 1 A 18 18 ILE CB C 18 38.247 38.314 -0.067 1
1 108 . 13 1 1 A 18 18 ILE N N 18 118.184 125.144 -6.960 1
1 109 . 13 1 1 A 19 19 GLN H H 19 8.404 8.089 0.315 1
1 110 . 13 1 1 A 19 19 GLN HA H 19 4.199 4.085 0.114 1
1 117 . 13 1 1 A 19 19 GLN C C 19 175.287 174.252 1.035 1
1 118 . 13 1 1 A 19 19 GLN CA C 19 60.889 60.802 0.087 1
1 119 . 13 1 1 A 19 19 GLN CB C 19 26.552 26.766 -0.214 1
1 121 . 13 1 1 A 19 19 GLN N N 19 123.230 122.111 1.119 1
1 123 . 13 1 1 A 20 20 PRO HA H 20 4.217 4.250 -0.033 1
1 130 . 13 1 1 A 20 20 PRO C C 20 179.677 179.536 0.141 1
1 131 . 13 1 1 A 20 20 PRO CA C 20 65.855 66.304 -0.449 1
1 132 . 13 1 1 A 20 20 PRO CB C 20 31.439 30.608 0.831 1
1 135 . 13 1 1 A 21 21 LEU H H 21 7.026 7.137 -0.111 1
1 136 . 13 1 1 A 21 21 LEU HA H 21 3.885 4.046 -0.161 1
1 146 . 13 1 1 A 21 21 LEU C C 21 177.599 178.425 -0.826 1
1 147 . 13 1 1 A 21 21 LEU CA C 21 58.435 57.218 1.217 1
1 148 . 13 1 1 A 21 21 LEU CB C 21 37.236 40.877 -3.641 1
1 152 . 13 1 1 A 21 21 LEU N N 21 116.369 117.028 -0.659 1
1 153 . 13 1 1 A 22 22 GLU H H 22 7.611 8.496 -0.885 1
1 154 . 13 1 1 A 22 22 GLU HA H 22 4.309 4.168 0.141 1
1 159 . 13 1 1 A 22 22 GLU C C 22 180.755 179.230 1.525 1
1 160 . 13 1 1 A 22 22 GLU CA C 22 59.887 60.030 -0.143 1
1 161 . 13 1 1 A 22 22 GLU CB C 22 29.715 29.435 0.280 1
1 163 . 13 1 1 A 22 22 GLU N N 22 119.345 119.303 0.042 1
1 164 . 13 1 1 A 23 23 ARG H H 23 8.662 8.170 0.492 1
1 165 . 13 1 1 A 23 23 ARG HA H 23 4.143 4.121 0.022 1
1 172 . 13 1 1 A 23 23 ARG C C 23 179.115 178.720 0.395 1
1 173 . 13 1 1 A 23 23 ARG CA C 23 59.453 59.402 0.051 1
1 174 . 13 1 1 A 23 23 ARG CB C 23 30.628 30.053 0.575 1
1 177 . 13 1 1 A 23 23 ARG N N 23 119.060 119.390 -0.330 1
1 178 . 13 1 1 A 24 24 TYR H H 24 7.798 7.870 -0.072 1
1 179 . 13 1 1 A 24 24 TYR HA H 24 4.349 4.315 0.034 1
1 186 . 13 1 1 A 24 24 TYR C C 24 178.627 177.666 0.961 1
1 187 . 13 1 1 A 24 24 TYR CA C 24 61.883 61.689 0.194 1
1 188 . 13 1 1 A 24 24 TYR CB C 24 39.326 39.067 0.259 1
1 193 . 13 1 1 A 24 24 TYR N N 24 122.046 120.647 1.399 1
1 194 . 13 1 1 A 25 25 TRP H H 25 9.612 8.182 1.430 1
1 195 . 13 1 1 A 25 25 TRP HA H 25 4.680 4.572 0.108 1
1 204 . 13 1 1 A 25 25 TRP C C 25 178.218 178.838 -0.620 1
1 205 . 13 1 1 A 25 25 TRP CA C 25 60.775 61.331 -0.556 1
1 206 . 13 1 1 A 25 25 TRP CB C 25 29.956 29.728 0.228 1
1 212 . 13 1 1 A 25 25 TRP N N 25 121.351 121.833 -0.482 1
1 214 . 13 1 1 A 26 26 ALA H H 26 8.336 8.179 0.157 1
1 215 . 13 1 1 A 26 26 ALA HA H 26 3.911 3.992 -0.081 1
1 219 . 13 1 1 A 26 26 ALA C C 26 178.850 179.743 -0.893 1
1 220 . 13 1 1 A 26 26 ALA CA C 26 54.720 54.408 0.312 1
1 221 . 13 1 1 A 26 26 ALA CB C 26 18.147 18.408 -0.261 1
1 222 . 13 1 1 A 26 26 ALA N N 26 118.991 121.211 -2.220 1
1 223 . 13 1 1 A 27 27 ALA H H 27 7.261 8.120 -0.859 1
1 224 . 13 1 1 A 27 27 ALA HA H 27 4.071 3.973 0.098 1
1 228 . 13 1 1 A 27 27 ALA C C 27 178.433 178.874 -0.441 1
1 229 . 13 1 1 A 27 27 ALA CA C 27 53.440 54.611 -1.171 1
1 230 . 13 1 1 A 27 27 ALA CB C 27 18.789 18.825 -0.036 1
1 231 . 13 1 1 A 27 27 ALA N N 27 116.928 119.909 -2.981 1
1 232 . 13 1 1 A 28 28 HIS H H 28 7.810 7.670 0.140 1
1 233 . 13 1 1 A 28 28 HIS HA H 28 4.574 4.510 0.064 1
1 238 . 13 1 1 A 28 28 HIS C C 28 175.351 174.592 0.759 1
1 239 . 13 1 1 A 28 28 HIS CA C 28 56.709 55.950 0.759 1
1 240 . 13 1 1 A 28 28 HIS CB C 28 31.928 31.361 0.567 1
1 243 . 13 1 1 A 28 28 HIS N N 28 113.337 110.805 2.532 1
1 244 . 13 1 1 A 29 29 GLN H H 29 8.811 7.923 0.888 1
1 245 . 13 1 1 A 29 29 GLN HA H 29 2.344 3.371 -1.027 1
1 251 . 13 1 1 A 29 29 GLN C C 29 173.677 174.428 -0.751 1
1 252 . 13 1 1 A 29 29 GLN CA C 29 57.111 56.472 0.639 1
1 253 . 13 1 1 A 29 29 GLN CB C 29 26.795 26.873 -0.078 1
1 255 . 13 1 1 A 29 29 GLN N N 29 115.607 118.530 -2.923 1
1 257 . 13 1 1 A 30 30 GLN H H 30 7.465 7.578 -0.113 1
1 258 . 13 1 1 A 30 30 GLN HA H 30 4.607 4.939 -0.332 1
1 265 . 13 1 1 A 30 30 GLN C C 30 173.052 173.436 -0.384 1
1 266 . 13 1 1 A 30 30 GLN CA C 30 54.807 54.748 0.059 1
1 267 . 13 1 1 A 30 30 GLN CB C 30 30.766 31.984 -1.218 1
1 269 . 13 1 1 A 30 30 GLN N N 30 112.695 114.620 -1.925 1
1 271 . 13 1 1 A 31 31 LEU H H 31 8.805 8.695 0.110 1
1 272 . 13 1 1 A 31 31 LEU HA H 31 4.440 4.585 -0.145 1
1 282 . 13 1 1 A 31 31 LEU C C 31 176.017 175.028 0.989 1
1 283 . 13 1 1 A 31 31 LEU CA C 31 54.608 54.752 -0.144 1
1 284 . 13 1 1 A 31 31 LEU CB C 31 42.819 43.447 -0.628 1
1 288 . 13 1 1 A 31 31 LEU N N 31 121.685 126.813 -5.128 1
1 289 . 13 1 1 A 32 32 ARG H H 32 7.422 8.596 -1.174 1
1 290 . 13 1 1 A 32 32 ARG HA H 32 4.574 4.722 -0.148 1
1 297 . 13 1 1 A 32 32 ARG C C 32 177.277 176.683 0.594 1
1 298 . 13 1 1 A 32 32 ARG CA C 32 55.071 53.959 1.112 1
1 299 . 13 1 1 A 32 32 ARG CB C 32 29.854 33.031 -3.177 1
1 302 . 13 1 1 A 32 32 ARG N N 32 126.338 125.465 0.873 1
1 303 . 13 1 1 A 33 33 GLU H H 33 9.164 9.019 0.145 1
1 304 . 13 1 1 A 33 33 GLU HA H 33 3.766 3.981 -0.215 1
1 309 . 13 1 1 A 33 33 GLU C C 33 178.939 178.323 0.616 1
1 310 . 13 1 1 A 33 33 GLU CA C 33 60.097 59.383 0.714 1
1 311 . 13 1 1 A 33 33 GLU CB C 33 29.340 29.248 0.092 1
1 313 . 13 1 1 A 33 33 GLU N N 33 126.822 123.314 3.508 1
1 314 . 13 1 1 A 34 34 THR H H 34 7.785 7.549 0.236 1
1 315 . 13 1 1 A 34 34 THR HA H 34 4.055 4.210 -0.155 1
1 320 . 13 1 1 A 34 34 THR C C 34 175.387 175.297 0.090 1
1 321 . 13 1 1 A 34 34 THR CA C 34 63.631 65.979 -2.348 1
1 322 . 13 1 1 A 34 34 THR CB C 34 68.560 68.855 -0.295 1
1 324 . 13 1 1 A 34 34 THR N N 34 108.953 116.982 -8.029 1
1 325 . 13 1 1 A 35 35 ASP H H 35 7.841 8.275 -0.434 1
1 326 . 13 1 1 A 35 35 ASP HA H 35 4.928 4.502 0.426 1
1 329 . 13 1 1 A 35 35 ASP C C 35 175.827 177.776 -1.949 1
1 330 . 13 1 1 A 35 35 ASP CA C 35 55.169 55.159 0.010 1
1 331 . 13 1 1 A 35 35 ASP CB C 35 41.057 41.225 -0.168 1
1 332 . 13 1 1 A 35 35 ASP N N 35 119.019 120.345 -1.326 1
1 333 . 13 1 1 A 36 36 ILE H H 36 7.388 7.855 -0.467 1
1 334 . 13 1 1 A 36 36 ILE HA H 36 3.495 3.723 -0.228 1
1 344 . 13 1 1 A 36 36 ILE C C 36 174.161 175.302 -1.141 1
1 345 . 13 1 1 A 36 36 ILE CA C 36 67.912 66.336 1.576 1
1 346 . 13 1 1 A 36 36 ILE CB C 36 35.457 35.513 -0.056 1
1 350 . 13 1 1 A 36 36 ILE N N 36 119.567 121.292 -1.725 1
1 351 . 13 1 1 A 37 37 PRO HA H 37 4.232 4.315 -0.083 1
1 358 . 13 1 1 A 37 37 PRO C C 37 179.572 178.776 0.796 1
1 359 . 13 1 1 A 37 37 PRO CA C 37 66.890 65.536 1.354 1
1 360 . 13 1 1 A 37 37 PRO CB C 37 30.704 30.661 0.043 1
1 363 . 13 1 1 A 38 38 GLN H H 38 7.837 8.099 -0.262 1
1 364 . 13 1 1 A 38 38 GLN HA H 38 4.143 4.068 0.075 1
1 371 . 13 1 1 A 38 38 GLN C C 38 178.918 178.368 0.550 1
1 372 . 13 1 1 A 38 38 GLN CA C 38 59.171 58.913 0.258 1
1 373 . 13 1 1 A 38 38 GLN CB C 38 27.986 28.289 -0.303 1
1 375 . 13 1 1 A 38 38 GLN N N 38 117.627 117.455 0.172 1
1 377 . 13 1 1 A 39 39 LEU H H 39 7.991 8.368 -0.377 1
1 378 . 13 1 1 A 39 39 LEU HA H 39 3.995 4.038 -0.043 1
1 388 . 13 1 1 A 39 39 LEU C C 39 180.831 178.665 2.166 1
1 389 . 13 1 1 A 39 39 LEU CA C 39 57.722 57.590 0.132 1
1 390 . 13 1 1 A 39 39 LEU CB C 39 42.314 41.539 0.775 1
1 394 . 13 1 1 A 39 39 LEU N N 39 121.128 119.832 1.296 1
1 395 . 13 1 1 A 40 40 SER H H 40 8.980 8.286 0.694 1
1 396 . 13 1 1 A 40 40 SER HA H 40 4.086 4.031 0.055 1
1 399 . 13 1 1 A 40 40 SER C C 40 176.517 176.945 -0.428 1
1 400 . 13 1 1 A 40 40 SER CA C 40 60.859 61.443 -0.584 1
1 401 . 13 1 1 A 40 40 SER CB C 40 63.255 63.058 0.197 1
1 402 . 13 1 1 A 40 40 SER N N 40 117.510 113.624 3.886 1
1 403 . 13 1 1 A 41 41 GLN H H 41 8.074 7.434 0.640 1
1 404 . 13 1 1 A 41 41 GLN HA H 41 4.014 4.054 -0.040 1
1 411 . 13 1 1 A 41 41 GLN C C 41 178.637 178.142 0.495 1
1 412 . 13 1 1 A 41 41 GLN CA C 41 58.955 58.291 0.664 1
1 413 . 13 1 1 A 41 41 GLN CB C 41 28.421 28.384 0.037 1
1 415 . 13 1 1 A 41 41 GLN N N 41 120.218 121.683 -1.465 1
1 417 . 13 1 1 A 42 42 ALA H H 42 8.149 7.797 0.352 1
1 418 . 13 1 1 A 42 42 ALA HA H 42 4.162 4.148 0.014 1
1 422 . 13 1 1 A 42 42 ALA C C 42 178.442 180.241 -1.799 1
1 423 . 13 1 1 A 42 42 ALA CA C 42 54.567 54.981 -0.414 1
1 424 . 13 1 1 A 42 42 ALA CB C 42 19.202 18.431 0.771 1
1 425 . 13 1 1 A 42 42 ALA N N 42 118.903 122.422 -3.519 1
1 426 . 13 1 1 A 43 43 SER H H 43 7.784 8.169 -0.385 1
1 427 . 13 1 1 A 43 43 SER HA H 43 4.851 4.797 0.054 1
1 430 . 13 1 1 A 43 43 SER C C 43 175.304 173.174 2.130 1
1 431 . 13 1 1 A 43 43 SER CA C 43 59.180 58.415 0.765 1
1 432 . 13 1 1 A 43 43 SER CB C 43 66.897 63.114 3.783 1
1 433 . 13 1 1 A 43 43 SER N N 43 109.522 113.414 -3.892 1
1 434 . 13 1 1 A 44 44 ARG H H 44 7.799 7.820 -0.021 1
1 435 . 13 1 1 A 44 44 ARG HA H 44 3.872 3.891 -0.019 1
1 441 . 13 1 1 A 44 44 ARG C C 44 175.312 174.462 0.850 1
1 442 . 13 1 1 A 44 44 ARG CA C 44 58.582 57.318 1.264 1
1 443 . 13 1 1 A 44 44 ARG CB C 44 26.661 26.555 0.106 1
1 446 . 13 1 1 A 44 44 ARG N N 44 114.335 117.907 -3.572 1
1 447 . 13 1 1 A 45 45 LEU H H 45 7.759 7.533 0.226 1
1 448 . 13 1 1 A 45 45 LEU HA H 45 4.571 4.878 -0.307 1
1 458 . 13 1 1 A 45 45 LEU C C 45 177.069 175.809 1.260 1
1 459 . 13 1 1 A 45 45 LEU CA C 45 53.471 53.183 0.288 1
1 460 . 13 1 1 A 45 45 LEU CB C 45 43.845 44.828 -0.983 1
1 464 . 13 1 1 A 45 45 LEU N N 45 120.316 118.870 1.446 1
1 465 . 13 1 1 A 46 46 SER H H 46 9.062 8.771 0.291 1
1 466 . 13 1 1 A 46 46 SER HA H 46 4.446 4.560 -0.114 1
1 469 . 13 1 1 A 46 46 SER C C 46 174.731 175.904 -1.173 1
1 470 . 13 1 1 A 46 46 SER CA C 46 57.302 58.402 -1.100 1
1 471 . 13 1 1 A 46 46 SER CB C 46 65.202 64.076 1.126 1
1 472 . 13 1 1 A 46 46 SER N N 46 117.855 116.987 0.868 1
1 473 . 13 1 1 A 47 47 THR H H 47 8.770 8.729 0.041 1
1 474 . 13 1 1 A 47 47 THR HA H 47 3.578 3.882 -0.304 1
1 479 . 13 1 1 A 47 47 THR C C 47 176.003 176.337 -0.334 1
1 480 . 13 1 1 A 47 47 THR CA C 47 67.477 65.741 1.736 1
1 481 . 13 1 1 A 47 47 THR CB C 47 68.317 68.685 -0.368 1
1 483 . 13 1 1 A 47 47 THR N N 47 115.428 118.311 -2.883 1
1 484 . 13 1 1 A 48 48 GLN H H 48 8.292 8.040 0.252 1
1 485 . 13 1 1 A 48 48 GLN HA H 48 3.890 4.056 -0.166 1
1 492 . 13 1 1 A 48 48 GLN C C 48 177.625 178.209 -0.584 1
1 493 . 13 1 1 A 48 48 GLN CA C 48 58.482 59.099 -0.617 1
1 494 . 13 1 1 A 48 48 GLN CB C 48 28.614 28.516 0.098 1
1 496 . 13 1 1 A 48 48 GLN N N 48 119.078 119.936 -0.858 1
1 498 . 13 1 1 A 49 49 GLN H H 49 7.765 8.179 -0.414 1
1 499 . 13 1 1 A 49 49 GLN HA H 49 4.153 3.982 0.171 1
1 506 . 13 1 1 A 49 49 GLN C C 49 180.153 178.975 1.178 1
1 507 . 13 1 1 A 49 49 GLN CA C 49 58.927 59.337 -0.410 1
1 508 . 13 1 1 A 49 49 GLN CB C 49 30.030 28.235 1.795 1
1 510 . 13 1 1 A 49 49 GLN N N 49 117.667 118.792 -1.125 1
1 512 . 13 1 1 A 50 50 VAL H H 50 8.465 7.736 0.729 1
1 513 . 13 1 1 A 50 50 VAL HA H 50 3.620 3.723 -0.103 1
1 521 . 13 1 1 A 50 50 VAL C C 50 177.691 178.149 -0.458 1
1 522 . 13 1 1 A 50 50 VAL CA C 50 67.588 66.484 1.104 1
1 523 . 13 1 1 A 50 50 VAL CB C 50 31.470 31.498 -0.028 1
1 526 . 13 1 1 A 50 50 VAL N N 50 122.227 119.924 2.303 1
1 527 . 13 1 1 A 51 51 LEU H H 51 8.119 8.203 -0.084 1
1 528 . 13 1 1 A 51 51 LEU HA H 51 3.975 4.019 -0.044 1
1 538 . 13 1 1 A 51 51 LEU C C 51 179.950 179.118 0.832 1
1 539 . 13 1 1 A 51 51 LEU CA C 51 59.206 58.260 0.946 1
1 540 . 13 1 1 A 51 51 LEU CB C 51 41.515 41.139 0.376 1
1 544 . 13 1 1 A 51 51 LEU N N 51 120.724 119.319 1.405 1
1 545 . 13 1 1 A 52 52 ASP H H 52 8.780 8.145 0.635 1
1 546 . 13 1 1 A 52 52 ASP HA H 52 4.344 4.383 -0.039 1
1 549 . 13 1 1 A 52 52 ASP C C 52 178.654 178.536 0.118 1
1 550 . 13 1 1 A 52 52 ASP CA C 52 57.310 57.059 0.251 1
1 551 . 13 1 1 A 52 52 ASP CB C 52 40.418 40.481 -0.063 1
1 552 . 13 1 1 A 52 52 ASP N N 52 118.559 119.175 -0.616 1
1 553 . 13 1 1 A 53 53 TRP H H 53 8.180 8.180 0.000 1
1 554 . 13 1 1 A 53 53 TRP HA H 53 3.905 4.363 -0.458 1
1 563 . 13 1 1 A 53 53 TRP C C 53 180.216 178.488 1.728 1
1 564 . 13 1 1 A 53 53 TRP CA C 53 62.801 61.063 1.738 1
1 565 . 13 1 1 A 53 53 TRP CB C 53 29.117 30.203 -1.086 1
1 571 . 13 1 1 A 53 53 TRP N N 53 123.121 121.727 1.394 1
1 573 . 13 1 1 A 54 54 PHE H H 54 8.371 8.348 0.023 1
1 574 . 13 1 1 A 54 54 PHE HA H 54 3.786 4.086 -0.300 1
1 582 . 13 1 1 A 54 54 PHE C C 54 178.605 177.774 0.831 1
1 583 . 13 1 1 A 54 54 PHE CA C 54 63.242 61.671 1.571 1
1 584 . 13 1 1 A 54 54 PHE CB C 54 39.446 39.065 0.381 1
1 590 . 13 1 1 A 54 54 PHE N N 54 117.319 117.872 -0.553 1
1 591 . 13 1 1 A 55 55 ASP H H 55 8.609 8.057 0.552 1
1 592 . 13 1 1 A 55 55 ASP HA H 55 4.499 4.392 0.107 1
1 595 . 13 1 1 A 55 55 ASP C C 55 177.993 178.514 -0.521 1
1 596 . 13 1 1 A 55 55 ASP CA C 55 57.370 57.504 -0.134 1
1 597 . 13 1 1 A 55 55 ASP CB C 55 41.096 41.867 -0.771 1
1 598 . 13 1 1 A 55 55 ASP N N 55 120.805 119.605 1.200 1
1 599 . 13 1 1 A 56 56 SER H H 56 7.450 7.737 -0.287 1
1 600 . 13 1 1 A 56 56 SER HA H 56 4.236 4.067 0.169 1
1 603 . 13 1 1 A 56 56 SER C C 56 174.228 176.974 -2.746 1
1 604 . 13 1 1 A 56 56 SER CA C 56 59.538 60.930 -1.392 1
1 605 . 13 1 1 A 56 56 SER CB C 56 63.340 63.031 0.309 1
1 606 . 13 1 1 A 56 56 SER N N 56 111.640 114.166 -2.526 1
1 607 . 13 1 1 A 57 57 ARG H H 57 7.061 7.971 -0.910 1
1 608 . 13 1 1 A 57 57 ARG HA H 57 3.803 3.841 -0.038 1
1 615 . 13 1 1 A 57 57 ARG C C 57 175.909 177.132 -1.223 1
1 616 . 13 1 1 A 57 57 ARG CA C 57 55.254 58.028 -2.774 1
1 617 . 13 1 1 A 57 57 ARG CB C 57 30.216 29.453 0.763 1
1 620 . 13 1 1 A 57 57 ARG N N 57 120.670 118.216 2.454 1
1 621 . 13 1 1 A 58 58 LEU H H 58 7.519 7.097 0.422 1
1 622 . 13 1 1 A 58 58 LEU HA H 58 4.611 4.546 0.065 1
1 632 . 13 1 1 A 58 58 LEU C C 58 174.867 174.698 0.169 1
1 633 . 13 1 1 A 58 58 LEU CA C 58 53.322 52.922 0.400 1
1 634 . 13 1 1 A 58 58 LEU CB C 58 41.891 41.423 0.468 1
1 638 . 13 1 1 A 58 58 LEU N N 58 122.146 120.011 2.135 1
1 639 . 13 1 1 A 59 59 PRO HA H 59 4.489 4.430 0.059 1
1 645 . 13 1 1 A 59 59 PRO C C 59 176.849 176.654 0.195 1
1 646 . 13 1 1 A 59 59 PRO CA C 59 63.047 62.594 0.453 1
1 647 . 13 1 1 A 59 59 PRO CB C 59 32.066 32.712 -0.646 1
1 650 . 13 1 1 A 60 60 GLN H H 60 8.496 8.690 -0.194 1
1 651 . 13 1 1 A 60 60 GLN HA H 60 4.595 3.744 0.851 1
1 658 . 13 1 1 A 60 60 GLN C C 60 174.178 174.424 -0.246 1
1 659 . 13 1 1 A 60 60 GLN CA C 60 53.464 56.535 -3.071 1
1 660 . 13 1 1 A 60 60 GLN CB C 60 28.989 27.375 1.614 1
1 662 . 13 1 1 A 60 60 GLN N N 60 121.828 115.910 5.918 1
1 664 . 13 1 1 A 61 61 PRO HA H 61 4.397 4.610 -0.213 1
1 670 . 13 1 1 A 61 61 PRO C C 61 176.634 175.428 1.206 1
1 671 . 13 1 1 A 61 61 PRO CA C 61 63.150 62.513 0.637 1
1 672 . 13 1 1 A 61 61 PRO CB C 61 32.103 33.188 -1.085 1
1 675 . 13 1 1 A 62 62 ALA H H 62 8.445 8.375 0.070 1
1 676 . 13 1 1 A 62 62 ALA HA H 62 4.280 4.659 -0.379 1
1 680 . 13 1 1 A 62 62 ALA C C 62 177.871 176.585 1.286 1
1 681 . 13 1 1 A 62 62 ALA CA C 62 52.522 50.975 1.547 1
1 682 . 13 1 1 A 62 62 ALA CB C 62 19.309 19.852 -0.543 1
1 683 . 13 1 1 A 62 62 ALA N N 62 124.460 122.757 1.703 1
1 684 . 13 1 1 A 63 63 GLU H H 63 8.410 8.317 0.093 1
1 685 . 13 1 1 A 63 63 GLU HA H 63 4.287 4.715 -0.428 1
1 689 . 13 1 1 A 63 63 GLU C C 63 176.521 176.180 0.341 1
1 690 . 13 1 1 A 63 63 GLU CA C 63 56.478 54.551 1.927 1
1 691 . 13 1 1 A 63 63 GLU CB C 63 30.371 30.899 -0.528 1
1 693 . 13 1 1 A 63 63 GLU N N 63 120.216 123.576 -3.360 1
1 694 . 13 1 1 A 64 64 VAL H H 64 8.221 8.628 -0.407 1
1 695 . 13 1 1 A 64 64 VAL HA H 64 4.177 4.182 -0.005 1
1 703 . 13 1 1 A 64 64 VAL C C 64 176.179 175.877 0.302 1
1 704 . 13 1 1 A 64 64 VAL CA C 64 62.212 63.812 -1.600 1
1 705 . 13 1 1 A 64 64 VAL CB C 64 32.875 33.304 -0.429 1
1 708 . 13 1 1 A 64 64 VAL N N 64 121.436 119.204 2.232 1
1 709 . 13 1 1 A 65 65 SER H H 65 8.421 7.831 0.590 1
1 710 . 13 1 1 A 65 65 SER HA H 65 4.500 4.510 -0.010 1
1 713 . 13 1 1 A 65 65 SER C C 65 174.560 175.076 -0.516 1
1 714 . 13 1 1 A 65 65 SER CA C 65 58.411 58.203 0.208 1
1 715 . 13 1 1 A 65 65 SER CB C 65 63.999 64.094 -0.095 1
1 716 . 13 1 1 A 65 65 SER N N 65 119.752 117.645 2.107 1
1 717 . 13 1 1 A 66 66 GLY H H 66 8.268 8.607 -0.339 1
1 718 . 13 1 1 A 66 66 GLY HA2 H 66 4.065 3.884 0.181 1
1 719 . 13 1 1 A 66 66 GLY HA3 H 66 4.191 3.885 0.306 1
1 720 . 13 1 1 A 66 66 GLY C C 66 171.744 174.561 -2.817 1
1 721 . 13 1 1 A 66 66 GLY CA C 66 44.679 47.146 -2.467 1
1 722 . 13 1 1 A 66 66 GLY N N 66 110.950 112.427 -1.477 1
1 723 . 13 1 1 A 67 67 PRO HA H 67 4.481 4.683 -0.202 1
1 728 . 13 1 1 A 67 67 PRO C C 67 177.427 175.778 1.649 1
1 729 . 13 1 1 A 67 67 PRO CA C 67 63.264 62.612 0.652 1
1 730 . 13 1 1 A 67 67 PRO CB C 67 32.200 30.291 1.909 1
1 733 . 13 1 1 A 68 68 SER H H 68 8.543 8.306 0.237 1
1 734 . 13 1 1 A 68 68 SER HA H 68 4.559 4.764 -0.205 1
1 737 . 13 1 1 A 68 68 SER C C 68 174.726 173.424 1.302 1
1 738 . 13 1 1 A 68 68 SER CA C 68 58.368 57.178 1.190 1
1 739 . 13 1 1 A 68 68 SER CB C 68 63.934 67.091 -3.157 1
1 740 . 13 1 1 A 68 68 SER N N 68 116.507 119.295 -2.788 1
1 741 . 13 1 1 A 69 69 SER H H 69 8.349 8.674 -0.325 1
1 742 . 13 1 1 A 69 69 SER HA H 69 4.507 4.009 0.498 1
1 745 . 13 1 1 A 69 69 SER C C 69 173.960 174.630 -0.670 1
1 746 . 13 1 1 A 69 69 SER CA C 69 58.355 59.189 -0.834 1
1 747 . 13 1 1 A 69 69 SER CB C 69 63.993 61.855 2.138 1
1 748 . 13 1 1 A 69 69 SER N N 69 117.971 114.750 3.221 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.533 4.099 0.434 1
1 4 . 14 1 1 A 6 6 SER C C 6 174.513 173.317 1.196 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.407 59.221 -0.814 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.873 61.850 2.023 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.204 7.686 0.518 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 4.085 4.034 0.051 1
1 9 . 14 1 1 A 7 7 GLY C C 7 171.507 171.087 0.420 1
1 10 . 14 1 1 A 7 7 GLY CA C 7 44.598 45.379 -0.781 1
1 11 . 14 1 1 A 7 7 GLY N N 7 110.772 106.780 3.992 1
1 12 . 14 1 1 A 8 8 PRO HA H 8 4.421 4.542 -0.121 1
1 17 . 14 1 1 A 8 8 PRO C C 8 176.943 176.705 0.238 1
1 18 . 14 1 1 A 8 8 PRO CA C 8 62.917 62.767 0.150 1
1 19 . 14 1 1 A 8 8 PRO CB C 8 32.101 31.946 0.155 1
1 22 . 14 1 1 A 9 9 LEU H H 9 8.334 8.377 -0.043 1
1 23 . 14 1 1 A 9 9 LEU HA H 9 4.584 4.496 0.088 1
1 33 . 14 1 1 A 9 9 LEU C C 9 175.412 174.907 0.505 1
1 34 . 14 1 1 A 9 9 LEU CA C 9 53.030 53.439 -0.409 1
1 35 . 14 1 1 A 9 9 LEU CB C 9 41.804 41.530 0.274 1
1 39 . 14 1 1 A 9 9 LEU N N 9 123.997 123.915 0.082 1
1 40 . 14 1 1 A 10 10 PRO HA H 10 4.425 4.592 -0.167 1
1 46 . 14 1 1 A 10 10 PRO C C 10 176.530 176.776 -0.246 1
1 47 . 14 1 1 A 10 10 PRO CA C 10 62.801 62.397 0.404 1
1 48 . 14 1 1 A 10 10 PRO CB C 10 31.871 32.421 -0.550 1
1 51 . 14 1 1 A 11 11 ILE H H 11 8.216 8.317 -0.101 1
1 52 . 14 1 1 A 11 11 ILE HA H 11 4.429 4.326 0.103 1
1 62 . 14 1 1 A 11 11 ILE C C 11 174.437 175.119 -0.682 1
1 63 . 14 1 1 A 11 11 ILE CA C 11 58.548 59.790 -1.242 1
1 64 . 14 1 1 A 11 11 ILE CB C 11 38.746 37.827 0.919 1
1 68 . 14 1 1 A 11 11 ILE N N 11 123.082 118.729 4.353 1
1 72 . 14 1 1 A 16 16 PRO HA H 16 4.575 4.561 0.014 1
1 78 . 14 1 1 A 16 16 PRO C C 16 175.885 175.068 0.817 1
1 79 . 14 1 1 A 16 16 PRO CA C 16 63.146 62.417 0.729 1
1 80 . 14 1 1 A 16 16 PRO CB C 16 32.894 32.901 -0.007 1
1 83 . 14 1 1 A 17 17 ASP H H 17 8.822 8.203 0.619 1
1 84 . 14 1 1 A 17 17 ASP HA H 17 4.832 5.046 -0.214 1
1 87 . 14 1 1 A 17 17 ASP C C 17 174.878 175.842 -0.964 1
1 88 . 14 1 1 A 17 17 ASP CA C 17 52.473 53.016 -0.543 1
1 89 . 14 1 1 A 17 17 ASP CB C 17 42.755 43.084 -0.329 1
1 90 . 14 1 1 A 17 17 ASP N N 17 121.885 119.657 2.228 1
1 91 . 14 1 1 A 18 18 ILE H H 18 8.259 8.515 -0.256 1
1 92 . 14 1 1 A 18 18 ILE HA H 18 3.889 3.912 -0.023 1
1 102 . 14 1 1 A 18 18 ILE C C 18 178.346 177.155 1.191 1
1 103 . 14 1 1 A 18 18 ILE CA C 18 59.806 61.399 -1.593 1
1 104 . 14 1 1 A 18 18 ILE CB C 18 38.247 38.288 -0.041 1
1 108 . 14 1 1 A 18 18 ILE N N 18 118.184 124.626 -6.442 1
1 109 . 14 1 1 A 19 19 GLN H H 19 8.404 8.063 0.341 1
1 110 . 14 1 1 A 19 19 GLN HA H 19 4.199 4.111 0.088 1
1 117 . 14 1 1 A 19 19 GLN C C 19 175.287 174.291 0.996 1
1 118 . 14 1 1 A 19 19 GLN CA C 19 60.889 60.786 0.103 1
1 119 . 14 1 1 A 19 19 GLN CB C 19 26.552 26.903 -0.351 1
1 121 . 14 1 1 A 19 19 GLN N N 19 123.230 122.096 1.134 1
1 123 . 14 1 1 A 20 20 PRO HA H 20 4.217 4.276 -0.059 1
1 130 . 14 1 1 A 20 20 PRO C C 20 179.677 179.319 0.358 1
1 131 . 14 1 1 A 20 20 PRO CA C 20 65.855 66.004 -0.149 1
1 132 . 14 1 1 A 20 20 PRO CB C 20 31.439 30.710 0.729 1
1 135 . 14 1 1 A 21 21 LEU H H 21 7.026 7.191 -0.165 1
1 136 . 14 1 1 A 21 21 LEU HA H 21 3.885 4.168 -0.283 1
1 146 . 14 1 1 A 21 21 LEU C C 21 177.599 178.459 -0.860 1
1 147 . 14 1 1 A 21 21 LEU CA C 21 58.435 57.464 0.971 1
1 148 . 14 1 1 A 21 21 LEU CB C 21 37.236 41.401 -4.165 1
1 152 . 14 1 1 A 21 21 LEU N N 21 116.369 117.330 -0.961 1
1 153 . 14 1 1 A 22 22 GLU H H 22 7.611 8.380 -0.769 1
1 154 . 14 1 1 A 22 22 GLU HA H 22 4.309 4.105 0.204 1
1 159 . 14 1 1 A 22 22 GLU C C 22 180.755 179.735 1.020 1
1 160 . 14 1 1 A 22 22 GLU CA C 22 59.887 59.893 -0.006 1
1 161 . 14 1 1 A 22 22 GLU CB C 22 29.715 29.440 0.275 1
1 163 . 14 1 1 A 22 22 GLU N N 22 119.345 117.517 1.828 1
1 164 . 14 1 1 A 23 23 ARG H H 23 8.662 8.323 0.339 1
1 165 . 14 1 1 A 23 23 ARG HA H 23 4.143 4.114 0.029 1
1 172 . 14 1 1 A 23 23 ARG C C 23 179.115 178.972 0.143 1
1 173 . 14 1 1 A 23 23 ARG CA C 23 59.453 59.696 -0.243 1
1 174 . 14 1 1 A 23 23 ARG CB C 23 30.628 30.130 0.498 1
1 177 . 14 1 1 A 23 23 ARG N N 23 119.060 119.093 -0.033 1
1 178 . 14 1 1 A 24 24 TYR H H 24 7.798 7.840 -0.042 1
1 179 . 14 1 1 A 24 24 TYR HA H 24 4.349 4.421 -0.072 1
1 186 . 14 1 1 A 24 24 TYR C C 24 178.627 177.902 0.725 1
1 187 . 14 1 1 A 24 24 TYR CA C 24 61.883 61.724 0.159 1
1 188 . 14 1 1 A 24 24 TYR CB C 24 39.326 38.684 0.642 1
1 193 . 14 1 1 A 24 24 TYR N N 24 122.046 120.841 1.205 1
1 194 . 14 1 1 A 25 25 TRP H H 25 9.612 8.566 1.046 1
1 195 . 14 1 1 A 25 25 TRP HA H 25 4.680 4.299 0.381 1
1 204 . 14 1 1 A 25 25 TRP C C 25 178.218 179.035 -0.817 1
1 205 . 14 1 1 A 25 25 TRP CA C 25 60.775 61.076 -0.301 1
1 206 . 14 1 1 A 25 25 TRP CB C 25 29.956 29.218 0.738 1
1 212 . 14 1 1 A 25 25 TRP N N 25 121.351 121.580 -0.229 1
1 214 . 14 1 1 A 26 26 ALA H H 26 8.336 8.344 -0.008 1
1 215 . 14 1 1 A 26 26 ALA HA H 26 3.911 4.116 -0.205 1
1 219 . 14 1 1 A 26 26 ALA C C 26 178.850 179.172 -0.322 1
1 220 . 14 1 1 A 26 26 ALA CA C 26 54.720 54.292 0.428 1
1 221 . 14 1 1 A 26 26 ALA CB C 26 18.147 18.437 -0.290 1
1 222 . 14 1 1 A 26 26 ALA N N 26 118.991 121.484 -2.493 1
1 223 . 14 1 1 A 27 27 ALA H H 27 7.261 7.423 -0.162 1
1 224 . 14 1 1 A 27 27 ALA HA H 27 4.071 4.137 -0.066 1
1 228 . 14 1 1 A 27 27 ALA C C 27 178.433 179.097 -0.664 1
1 229 . 14 1 1 A 27 27 ALA CA C 27 53.440 54.435 -0.995 1
1 230 . 14 1 1 A 27 27 ALA CB C 27 18.789 19.427 -0.638 1
1 231 . 14 1 1 A 27 27 ALA N N 27 116.928 119.978 -3.050 1
1 232 . 14 1 1 A 28 28 HIS H H 28 7.810 8.075 -0.265 1
1 233 . 14 1 1 A 28 28 HIS HA H 28 4.574 4.427 0.147 1
1 238 . 14 1 1 A 28 28 HIS C C 28 175.351 174.752 0.599 1
1 239 . 14 1 1 A 28 28 HIS CA C 28 56.709 56.505 0.204 1
1 240 . 14 1 1 A 28 28 HIS CB C 28 31.928 30.728 1.200 1
1 243 . 14 1 1 A 28 28 HIS N N 28 113.337 112.341 0.996 1
1 244 . 14 1 1 A 29 29 GLN H H 29 8.811 7.639 1.172 1
1 245 . 14 1 1 A 29 29 GLN HA H 29 2.344 2.952 -0.608 1
1 251 . 14 1 1 A 29 29 GLN C C 29 173.677 174.020 -0.343 1
1 252 . 14 1 1 A 29 29 GLN CA C 29 57.111 56.150 0.961 1
1 253 . 14 1 1 A 29 29 GLN CB C 29 26.795 26.894 -0.099 1
1 255 . 14 1 1 A 29 29 GLN N N 29 115.607 118.268 -2.661 1
1 257 . 14 1 1 A 30 30 GLN H H 30 7.465 7.404 0.061 1
1 258 . 14 1 1 A 30 30 GLN HA H 30 4.607 4.959 -0.352 1
1 265 . 14 1 1 A 30 30 GLN C C 30 173.052 173.708 -0.656 1
1 266 . 14 1 1 A 30 30 GLN CA C 30 54.807 54.877 -0.070 1
1 267 . 14 1 1 A 30 30 GLN CB C 30 30.766 31.656 -0.890 1
1 269 . 14 1 1 A 30 30 GLN N N 30 112.695 114.208 -1.513 1
1 271 . 14 1 1 A 31 31 LEU H H 31 8.805 8.971 -0.166 1
1 272 . 14 1 1 A 31 31 LEU HA H 31 4.440 4.888 -0.448 1
1 282 . 14 1 1 A 31 31 LEU C C 31 176.017 175.346 0.671 1
1 283 . 14 1 1 A 31 31 LEU CA C 31 54.608 54.428 0.180 1
1 284 . 14 1 1 A 31 31 LEU CB C 31 42.819 43.638 -0.819 1
1 288 . 14 1 1 A 31 31 LEU N N 31 121.685 126.166 -4.481 1
1 289 . 14 1 1 A 32 32 ARG H H 32 7.422 8.437 -1.015 1
1 290 . 14 1 1 A 32 32 ARG HA H 32 4.574 4.919 -0.345 1
1 297 . 14 1 1 A 32 32 ARG C C 32 177.277 176.436 0.841 1
1 298 . 14 1 1 A 32 32 ARG CA C 32 55.071 54.089 0.982 1
1 299 . 14 1 1 A 32 32 ARG CB C 32 29.854 33.613 -3.759 1
1 302 . 14 1 1 A 32 32 ARG N N 32 126.338 124.396 1.942 1
1 303 . 14 1 1 A 33 33 GLU H H 33 9.164 9.077 0.087 1
1 304 . 14 1 1 A 33 33 GLU HA H 33 3.766 3.996 -0.230 1
1 309 . 14 1 1 A 33 33 GLU C C 33 178.939 178.598 0.341 1
1 310 . 14 1 1 A 33 33 GLU CA C 33 60.097 59.427 0.670 1
1 311 . 14 1 1 A 33 33 GLU CB C 33 29.340 29.201 0.139 1
1 313 . 14 1 1 A 33 33 GLU N N 33 126.822 123.407 3.415 1
1 314 . 14 1 1 A 34 34 THR H H 34 7.785 7.932 -0.147 1
1 315 . 14 1 1 A 34 34 THR HA H 34 4.055 3.982 0.073 1
1 320 . 14 1 1 A 34 34 THR C C 34 175.387 175.684 -0.297 1
1 321 . 14 1 1 A 34 34 THR CA C 34 63.631 65.364 -1.733 1
1 322 . 14 1 1 A 34 34 THR CB C 34 68.560 68.594 -0.034 1
1 324 . 14 1 1 A 34 34 THR N N 34 108.953 115.830 -6.877 1
1 325 . 14 1 1 A 35 35 ASP H H 35 7.841 8.172 -0.331 1
1 326 . 14 1 1 A 35 35 ASP HA H 35 4.928 4.438 0.490 1
1 329 . 14 1 1 A 35 35 ASP C C 35 175.827 177.735 -1.908 1
1 330 . 14 1 1 A 35 35 ASP CA C 35 55.169 55.171 -0.002 1
1 331 . 14 1 1 A 35 35 ASP CB C 35 41.057 41.072 -0.015 1
1 332 . 14 1 1 A 35 35 ASP N N 35 119.019 121.085 -2.066 1
1 333 . 14 1 1 A 36 36 ILE H H 36 7.388 7.890 -0.502 1
1 334 . 14 1 1 A 36 36 ILE HA H 36 3.495 3.631 -0.136 1
1 344 . 14 1 1 A 36 36 ILE C C 36 174.161 175.239 -1.078 1
1 345 . 14 1 1 A 36 36 ILE CA C 36 67.912 66.285 1.627 1
1 346 . 14 1 1 A 36 36 ILE CB C 36 35.457 35.548 -0.091 1
1 350 . 14 1 1 A 36 36 ILE N N 36 119.567 121.167 -1.600 1
1 351 . 14 1 1 A 37 37 PRO HA H 37 4.232 4.279 -0.047 1
1 358 . 14 1 1 A 37 37 PRO C C 37 179.572 178.769 0.803 1
1 359 . 14 1 1 A 37 37 PRO CA C 37 66.890 65.520 1.370 1
1 360 . 14 1 1 A 37 37 PRO CB C 37 30.704 30.593 0.111 1
1 363 . 14 1 1 A 38 38 GLN H H 38 7.837 8.080 -0.243 1
1 364 . 14 1 1 A 38 38 GLN HA H 38 4.143 4.047 0.096 1
1 371 . 14 1 1 A 38 38 GLN C C 38 178.918 177.952 0.966 1
1 372 . 14 1 1 A 38 38 GLN CA C 38 59.171 58.852 0.319 1
1 373 . 14 1 1 A 38 38 GLN CB C 38 27.986 28.169 -0.183 1
1 375 . 14 1 1 A 38 38 GLN N N 38 117.627 117.393 0.234 1
1 377 . 14 1 1 A 39 39 LEU H H 39 7.991 8.001 -0.010 1
1 378 . 14 1 1 A 39 39 LEU HA H 39 3.995 4.087 -0.092 1
1 388 . 14 1 1 A 39 39 LEU C C 39 180.831 178.937 1.894 1
1 389 . 14 1 1 A 39 39 LEU CA C 39 57.722 57.386 0.336 1
1 390 . 14 1 1 A 39 39 LEU CB C 39 42.314 41.742 0.572 1
1 394 . 14 1 1 A 39 39 LEU N N 39 121.128 119.805 1.323 1
1 395 . 14 1 1 A 40 40 SER H H 40 8.980 8.143 0.837 1
1 396 . 14 1 1 A 40 40 SER HA H 40 4.086 4.263 -0.177 1
1 399 . 14 1 1 A 40 40 SER C C 40 176.517 176.895 -0.378 1
1 400 . 14 1 1 A 40 40 SER CA C 40 60.859 60.980 -0.121 1
1 401 . 14 1 1 A 40 40 SER CB C 40 63.255 62.915 0.340 1
1 402 . 14 1 1 A 40 40 SER N N 40 117.510 113.637 3.873 1
1 403 . 14 1 1 A 41 41 GLN H H 41 8.074 8.282 -0.208 1
1 404 . 14 1 1 A 41 41 GLN HA H 41 4.014 4.072 -0.058 1
1 411 . 14 1 1 A 41 41 GLN C C 41 178.637 177.842 0.795 1
1 412 . 14 1 1 A 41 41 GLN CA C 41 58.955 58.506 0.449 1
1 413 . 14 1 1 A 41 41 GLN CB C 41 28.421 28.258 0.163 1
1 415 . 14 1 1 A 41 41 GLN N N 41 120.218 120.084 0.134 1
1 417 . 14 1 1 A 42 42 ALA H H 42 8.149 7.818 0.331 1
1 418 . 14 1 1 A 42 42 ALA HA H 42 4.162 4.136 0.026 1
1 422 . 14 1 1 A 42 42 ALA C C 42 178.442 179.965 -1.523 1
1 423 . 14 1 1 A 42 42 ALA CA C 42 54.567 55.071 -0.504 1
1 424 . 14 1 1 A 42 42 ALA CB C 42 19.202 18.353 0.849 1
1 425 . 14 1 1 A 42 42 ALA N N 42 118.903 121.857 -2.954 1
1 426 . 14 1 1 A 43 43 SER H H 43 7.784 8.161 -0.377 1
1 427 . 14 1 1 A 43 43 SER HA H 43 4.851 4.647 0.204 1
1 430 . 14 1 1 A 43 43 SER C C 43 175.304 174.562 0.742 1
1 431 . 14 1 1 A 43 43 SER CA C 43 59.180 59.089 0.091 1
1 432 . 14 1 1 A 43 43 SER CB C 43 66.897 63.977 2.920 1
1 433 . 14 1 1 A 43 43 SER N N 43 109.522 111.017 -1.495 1
1 434 . 14 1 1 A 44 44 ARG H H 44 7.799 7.787 0.012 1
1 435 . 14 1 1 A 44 44 ARG HA H 44 3.872 3.871 0.001 1
1 441 . 14 1 1 A 44 44 ARG C C 44 175.312 174.521 0.791 1
1 442 . 14 1 1 A 44 44 ARG CA C 44 58.582 57.306 1.276 1
1 443 . 14 1 1 A 44 44 ARG CB C 44 26.661 26.872 -0.211 1
1 446 . 14 1 1 A 44 44 ARG N N 44 114.335 116.437 -2.102 1
1 447 . 14 1 1 A 45 45 LEU H H 45 7.759 7.318 0.441 1
1 448 . 14 1 1 A 45 45 LEU HA H 45 4.571 4.889 -0.318 1
1 458 . 14 1 1 A 45 45 LEU C C 45 177.069 175.606 1.463 1
1 459 . 14 1 1 A 45 45 LEU CA C 45 53.471 53.215 0.256 1
1 460 . 14 1 1 A 45 45 LEU CB C 45 43.845 44.661 -0.816 1
1 464 . 14 1 1 A 45 45 LEU N N 45 120.316 118.848 1.468 1
1 465 . 14 1 1 A 46 46 SER H H 46 9.062 8.652 0.410 1
1 466 . 14 1 1 A 46 46 SER HA H 46 4.446 4.735 -0.289 1
1 469 . 14 1 1 A 46 46 SER C C 46 174.731 175.522 -0.791 1
1 470 . 14 1 1 A 46 46 SER CA C 46 57.302 57.357 -0.055 1
1 471 . 14 1 1 A 46 46 SER CB C 46 65.202 64.877 0.325 1
1 472 . 14 1 1 A 46 46 SER N N 46 117.855 116.403 1.452 1
1 473 . 14 1 1 A 47 47 THR H H 47 8.770 8.729 0.041 1
1 474 . 14 1 1 A 47 47 THR HA H 47 3.578 3.867 -0.289 1
1 479 . 14 1 1 A 47 47 THR C C 47 176.003 176.321 -0.318 1
1 480 . 14 1 1 A 47 47 THR CA C 47 67.477 66.131 1.346 1
1 481 . 14 1 1 A 47 47 THR CB C 47 68.317 68.593 -0.276 1
1 483 . 14 1 1 A 47 47 THR N N 47 115.428 120.064 -4.636 1
1 484 . 14 1 1 A 48 48 GLN H H 48 8.292 7.994 0.298 1
1 485 . 14 1 1 A 48 48 GLN HA H 48 3.890 3.973 -0.083 1
1 492 . 14 1 1 A 48 48 GLN C C 48 177.625 178.007 -0.382 1
1 493 . 14 1 1 A 48 48 GLN CA C 48 58.482 59.023 -0.541 1
1 494 . 14 1 1 A 48 48 GLN CB C 48 28.614 28.479 0.135 1
1 496 . 14 1 1 A 48 48 GLN N N 48 119.078 120.118 -1.040 1
1 498 . 14 1 1 A 49 49 GLN H H 49 7.765 8.121 -0.356 1
1 499 . 14 1 1 A 49 49 GLN HA H 49 4.153 3.930 0.223 1
1 506 . 14 1 1 A 49 49 GLN C C 49 180.153 178.838 1.315 1
1 507 . 14 1 1 A 49 49 GLN CA C 49 58.927 59.388 -0.461 1
1 508 . 14 1 1 A 49 49 GLN CB C 49 30.030 28.171 1.859 1
1 510 . 14 1 1 A 49 49 GLN N N 49 117.667 118.578 -0.911 1
1 512 . 14 1 1 A 50 50 VAL H H 50 8.465 7.701 0.764 1
1 513 . 14 1 1 A 50 50 VAL HA H 50 3.620 3.754 -0.134 1
1 521 . 14 1 1 A 50 50 VAL C C 50 177.691 178.239 -0.548 1
1 522 . 14 1 1 A 50 50 VAL CA C 50 67.588 66.454 1.134 1
1 523 . 14 1 1 A 50 50 VAL CB C 50 31.470 31.434 0.036 1
1 526 . 14 1 1 A 50 50 VAL N N 50 122.227 119.876 2.351 1
1 527 . 14 1 1 A 51 51 LEU H H 51 8.119 7.881 0.238 1
1 528 . 14 1 1 A 51 51 LEU HA H 51 3.975 4.047 -0.072 1
1 538 . 14 1 1 A 51 51 LEU C C 51 179.950 179.059 0.891 1
1 539 . 14 1 1 A 51 51 LEU CA C 51 59.206 57.838 1.368 1
1 540 . 14 1 1 A 51 51 LEU CB C 51 41.515 41.184 0.331 1
1 544 . 14 1 1 A 51 51 LEU N N 51 120.724 118.940 1.784 1
1 545 . 14 1 1 A 52 52 ASP H H 52 8.780 8.125 0.655 1
1 546 . 14 1 1 A 52 52 ASP HA H 52 4.344 4.413 -0.069 1
1 549 . 14 1 1 A 52 52 ASP C C 52 178.654 178.532 0.122 1
1 550 . 14 1 1 A 52 52 ASP CA C 52 57.310 56.898 0.412 1
1 551 . 14 1 1 A 52 52 ASP CB C 52 40.418 40.546 -0.128 1
1 552 . 14 1 1 A 52 52 ASP N N 52 118.559 119.499 -0.940 1
1 553 . 14 1 1 A 53 53 TRP H H 53 8.180 8.109 0.071 1
1 554 . 14 1 1 A 53 53 TRP HA H 53 3.905 4.412 -0.507 1
1 563 . 14 1 1 A 53 53 TRP C C 53 180.216 178.222 1.994 1
1 564 . 14 1 1 A 53 53 TRP CA C 53 62.801 61.087 1.714 1
1 565 . 14 1 1 A 53 53 TRP CB C 53 29.117 30.550 -1.433 1
1 571 . 14 1 1 A 53 53 TRP N N 53 123.121 121.911 1.210 1
1 573 . 14 1 1 A 54 54 PHE H H 54 8.371 8.449 -0.078 1
1 574 . 14 1 1 A 54 54 PHE HA H 54 3.786 4.044 -0.258 1
1 582 . 14 1 1 A 54 54 PHE C C 54 178.605 177.600 1.005 1
1 583 . 14 1 1 A 54 54 PHE CA C 54 63.242 62.281 0.961 1
1 584 . 14 1 1 A 54 54 PHE CB C 54 39.446 38.732 0.714 1
1 590 . 14 1 1 A 54 54 PHE N N 54 117.319 117.743 -0.424 1
1 591 . 14 1 1 A 55 55 ASP H H 55 8.609 7.877 0.732 1
1 592 . 14 1 1 A 55 55 ASP HA H 55 4.499 4.325 0.174 1
1 595 . 14 1 1 A 55 55 ASP C C 55 177.993 178.332 -0.339 1
1 596 . 14 1 1 A 55 55 ASP CA C 55 57.370 57.272 0.098 1
1 597 . 14 1 1 A 55 55 ASP CB C 55 41.096 41.719 -0.623 1
1 598 . 14 1 1 A 55 55 ASP N N 55 120.805 119.693 1.112 1
1 599 . 14 1 1 A 56 56 SER H H 56 7.450 7.609 -0.159 1
1 600 . 14 1 1 A 56 56 SER HA H 56 4.236 4.124 0.112 1
1 603 . 14 1 1 A 56 56 SER C C 56 174.228 176.371 -2.143 1
1 604 . 14 1 1 A 56 56 SER CA C 56 59.538 61.145 -1.607 1
1 605 . 14 1 1 A 56 56 SER CB C 56 63.340 62.651 0.689 1
1 606 . 14 1 1 A 56 56 SER N N 56 111.640 116.188 -4.548 1
1 607 . 14 1 1 A 57 57 ARG H H 57 7.061 7.730 -0.669 1
1 608 . 14 1 1 A 57 57 ARG HA H 57 3.803 3.977 -0.174 1
1 615 . 14 1 1 A 57 57 ARG C C 57 175.909 176.373 -0.464 1
1 616 . 14 1 1 A 57 57 ARG CA C 57 55.254 58.337 -3.083 1
1 617 . 14 1 1 A 57 57 ARG CB C 57 30.216 29.569 0.647 1
1 620 . 14 1 1 A 57 57 ARG N N 57 120.670 118.497 2.173 1
1 621 . 14 1 1 A 58 58 LEU H H 58 7.519 7.427 0.092 1
1 622 . 14 1 1 A 58 58 LEU HA H 58 4.611 4.724 -0.113 1
1 632 . 14 1 1 A 58 58 LEU C C 58 174.867 175.675 -0.808 1
1 633 . 14 1 1 A 58 58 LEU CA C 58 53.322 53.118 0.204 1
1 634 . 14 1 1 A 58 58 LEU CB C 58 41.891 42.056 -0.165 1
1 638 . 14 1 1 A 58 58 LEU N N 58 122.146 117.436 4.710 1
1 639 . 14 1 1 A 59 59 PRO HA H 59 4.489 4.767 -0.278 1
1 645 . 14 1 1 A 59 59 PRO C C 59 176.849 176.258 0.591 1
1 646 . 14 1 1 A 59 59 PRO CA C 59 63.047 62.753 0.294 1
1 647 . 14 1 1 A 59 59 PRO CB C 59 32.066 31.738 0.328 1
1 650 . 14 1 1 A 60 60 GLN H H 60 8.496 8.410 0.086 1
1 651 . 14 1 1 A 60 60 GLN HA H 60 4.595 5.084 -0.489 1
1 658 . 14 1 1 A 60 60 GLN C C 60 174.178 173.113 1.065 1
1 659 . 14 1 1 A 60 60 GLN CA C 60 53.464 52.995 0.469 1
1 660 . 14 1 1 A 60 60 GLN CB C 60 28.989 31.795 -2.806 1
1 662 . 14 1 1 A 60 60 GLN N N 60 121.828 117.713 4.115 1
1 664 . 14 1 1 A 61 61 PRO HA H 61 4.397 4.744 -0.347 1
1 670 . 14 1 1 A 61 61 PRO C C 61 176.634 176.242 0.392 1
1 671 . 14 1 1 A 61 61 PRO CA C 61 63.150 62.875 0.275 1
1 672 . 14 1 1 A 61 61 PRO CB C 61 32.103 31.625 0.478 1
1 675 . 14 1 1 A 62 62 ALA H H 62 8.445 8.503 -0.058 1
1 676 . 14 1 1 A 62 62 ALA HA H 62 4.280 4.793 -0.513 1
1 680 . 14 1 1 A 62 62 ALA C C 62 177.871 176.209 1.662 1
1 681 . 14 1 1 A 62 62 ALA CA C 62 52.522 51.697 0.825 1
1 682 . 14 1 1 A 62 62 ALA CB C 62 19.309 22.896 -3.587 1
1 683 . 14 1 1 A 62 62 ALA N N 62 124.460 124.220 0.240 1
1 684 . 14 1 1 A 63 63 GLU H H 63 8.410 8.711 -0.301 1
1 685 . 14 1 1 A 63 63 GLU HA H 63 4.287 4.584 -0.297 1
1 689 . 14 1 1 A 63 63 GLU C C 63 176.521 175.515 1.006 1
1 690 . 14 1 1 A 63 63 GLU CA C 63 56.478 54.950 1.528 1
1 691 . 14 1 1 A 63 63 GLU CB C 63 30.371 30.450 -0.079 1
1 693 . 14 1 1 A 63 63 GLU N N 63 120.216 120.303 -0.087 1
1 694 . 14 1 1 A 64 64 VAL H H 64 8.221 8.442 -0.221 1
1 695 . 14 1 1 A 64 64 VAL HA H 64 4.177 4.698 -0.521 1
1 703 . 14 1 1 A 64 64 VAL C C 64 176.179 175.408 0.771 1
1 704 . 14 1 1 A 64 64 VAL CA C 64 62.212 61.203 1.009 1
1 705 . 14 1 1 A 64 64 VAL CB C 64 32.875 34.772 -1.897 1
1 708 . 14 1 1 A 64 64 VAL N N 64 121.436 119.452 1.984 1
1 709 . 14 1 1 A 65 65 SER H H 65 8.421 8.907 -0.486 1
1 710 . 14 1 1 A 65 65 SER HA H 65 4.500 4.755 -0.255 1
1 713 . 14 1 1 A 65 65 SER C C 65 174.560 173.987 0.573 1
1 714 . 14 1 1 A 65 65 SER CA C 65 58.411 57.393 1.018 1
1 715 . 14 1 1 A 65 65 SER CB C 65 63.999 64.118 -0.119 1
1 716 . 14 1 1 A 65 65 SER N N 65 119.752 118.707 1.045 1
1 717 . 14 1 1 A 66 66 GLY H H 66 8.268 7.274 0.994 1
1 718 . 14 1 1 A 66 66 GLY HA2 H 66 4.065 4.072 -0.007 1
1 719 . 14 1 1 A 66 66 GLY HA3 H 66 4.191 4.074 0.117 1
1 720 . 14 1 1 A 66 66 GLY C C 66 171.744 172.451 -0.707 1
1 721 . 14 1 1 A 66 66 GLY CA C 66 44.679 44.582 0.097 1
1 722 . 14 1 1 A 66 66 GLY N N 66 110.950 109.972 0.978 1
1 723 . 14 1 1 A 67 67 PRO HA H 67 4.481 4.667 -0.186 1
1 728 . 14 1 1 A 67 67 PRO C C 67 177.427 175.092 2.335 1
1 729 . 14 1 1 A 67 67 PRO CA C 67 63.264 62.588 0.676 1
1 730 . 14 1 1 A 67 67 PRO CB C 67 32.200 33.397 -1.197 1
1 733 . 14 1 1 A 68 68 SER H H 68 8.543 8.878 -0.335 1
1 734 . 14 1 1 A 68 68 SER HA H 68 4.559 4.815 -0.256 1
1 737 . 14 1 1 A 68 68 SER C C 68 174.726 172.944 1.782 1
1 738 . 14 1 1 A 68 68 SER CA C 68 58.368 57.367 1.001 1
1 739 . 14 1 1 A 68 68 SER CB C 68 63.934 65.413 -1.479 1
1 740 . 14 1 1 A 68 68 SER N N 68 116.507 117.071 -0.564 1
1 741 . 14 1 1 A 69 69 SER H H 69 8.349 8.637 -0.288 1
1 742 . 14 1 1 A 69 69 SER HA H 69 4.507 4.055 0.452 1
1 745 . 14 1 1 A 69 69 SER C C 69 173.960 173.908 0.052 1
1 746 . 14 1 1 A 69 69 SER CA C 69 58.355 59.335 -0.980 1
1 747 . 14 1 1 A 69 69 SER CB C 69 63.993 61.822 2.171 1
1 748 . 14 1 1 A 69 69 SER N N 69 117.971 120.628 -2.657 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.533 4.802 -0.269 1
1 4 . 15 1 1 A 6 6 SER C C 6 174.513 173.693 0.820 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.407 57.050 1.357 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.873 64.022 -0.149 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.204 8.360 -0.156 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 4.085 4.152 -0.067 1
1 9 . 15 1 1 A 7 7 GLY C C 7 171.507 173.134 -1.627 1
1 10 . 15 1 1 A 7 7 GLY CA C 7 44.598 45.675 -1.077 1
1 11 . 15 1 1 A 7 7 GLY N N 7 110.772 113.742 -2.970 1
1 12 . 15 1 1 A 8 8 PRO HA H 8 4.421 4.518 -0.097 1
1 17 . 15 1 1 A 8 8 PRO C C 8 176.943 176.529 0.414 1
1 18 . 15 1 1 A 8 8 PRO CA C 8 62.917 62.492 0.425 1
1 19 . 15 1 1 A 8 8 PRO CB C 8 32.101 32.978 -0.877 1
1 22 . 15 1 1 A 9 9 LEU H H 9 8.334 8.345 -0.011 1
1 23 . 15 1 1 A 9 9 LEU HA H 9 4.584 4.382 0.202 1
1 33 . 15 1 1 A 9 9 LEU C C 9 175.412 174.927 0.485 1
1 34 . 15 1 1 A 9 9 LEU CA C 9 53.030 53.591 -0.561 1
1 35 . 15 1 1 A 9 9 LEU CB C 9 41.804 41.250 0.554 1
1 39 . 15 1 1 A 9 9 LEU N N 9 123.997 123.114 0.883 1
1 40 . 15 1 1 A 10 10 PRO HA H 10 4.425 4.528 -0.103 1
1 46 . 15 1 1 A 10 10 PRO C C 10 176.530 176.859 -0.329 1
1 47 . 15 1 1 A 10 10 PRO CA C 10 62.801 62.760 0.041 1
1 48 . 15 1 1 A 10 10 PRO CB C 10 31.871 31.747 0.124 1
1 51 . 15 1 1 A 11 11 ILE H H 11 8.216 8.326 -0.110 1
1 52 . 15 1 1 A 11 11 ILE HA H 11 4.429 4.390 0.039 1
1 62 . 15 1 1 A 11 11 ILE C C 11 174.437 174.883 -0.446 1
1 63 . 15 1 1 A 11 11 ILE CA C 11 58.548 59.484 -0.936 1
1 64 . 15 1 1 A 11 11 ILE CB C 11 38.746 38.077 0.669 1
1 68 . 15 1 1 A 11 11 ILE N N 11 123.082 118.456 4.626 1
1 72 . 15 1 1 A 16 16 PRO HA H 16 4.575 4.577 -0.002 1
1 78 . 15 1 1 A 16 16 PRO C C 16 175.885 175.275 0.610 1
1 79 . 15 1 1 A 16 16 PRO CA C 16 63.146 62.576 0.570 1
1 80 . 15 1 1 A 16 16 PRO CB C 16 32.894 32.389 0.505 1
1 83 . 15 1 1 A 17 17 ASP H H 17 8.822 8.311 0.511 1
1 84 . 15 1 1 A 17 17 ASP HA H 17 4.832 4.817 0.015 1
1 87 . 15 1 1 A 17 17 ASP C C 17 174.878 176.315 -1.437 1
1 88 . 15 1 1 A 17 17 ASP CA C 17 52.473 52.804 -0.331 1
1 89 . 15 1 1 A 17 17 ASP CB C 17 42.755 41.672 1.083 1
1 90 . 15 1 1 A 17 17 ASP N N 17 121.885 119.743 2.142 1
1 91 . 15 1 1 A 18 18 ILE H H 18 8.259 8.572 -0.313 1
1 92 . 15 1 1 A 18 18 ILE HA H 18 3.889 3.938 -0.049 1
1 102 . 15 1 1 A 18 18 ILE C C 18 178.346 176.951 1.395 1
1 103 . 15 1 1 A 18 18 ILE CA C 18 59.806 61.233 -1.427 1
1 104 . 15 1 1 A 18 18 ILE CB C 18 38.247 38.286 -0.039 1
1 108 . 15 1 1 A 18 18 ILE N N 18 118.184 126.160 -7.976 1
1 109 . 15 1 1 A 19 19 GLN H H 19 8.404 7.606 0.798 1
1 110 . 15 1 1 A 19 19 GLN HA H 19 4.199 4.139 0.060 1
1 117 . 15 1 1 A 19 19 GLN C C 19 175.287 174.271 1.016 1
1 118 . 15 1 1 A 19 19 GLN CA C 19 60.889 60.797 0.092 1
1 119 . 15 1 1 A 19 19 GLN CB C 19 26.552 26.775 -0.223 1
1 121 . 15 1 1 A 19 19 GLN N N 19 123.230 122.249 0.981 1
1 123 . 15 1 1 A 20 20 PRO HA H 20 4.217 4.262 -0.045 1
1 130 . 15 1 1 A 20 20 PRO C C 20 179.677 179.017 0.660 1
1 131 . 15 1 1 A 20 20 PRO CA C 20 65.855 65.950 -0.095 1
1 132 . 15 1 1 A 20 20 PRO CB C 20 31.439 30.695 0.744 1
1 135 . 15 1 1 A 21 21 LEU H H 21 7.026 7.117 -0.091 1
1 136 . 15 1 1 A 21 21 LEU HA H 21 3.885 4.052 -0.167 1
1 146 . 15 1 1 A 21 21 LEU C C 21 177.599 178.374 -0.775 1
1 147 . 15 1 1 A 21 21 LEU CA C 21 58.435 57.097 1.338 1
1 148 . 15 1 1 A 21 21 LEU CB C 21 37.236 40.781 -3.545 1
1 152 . 15 1 1 A 21 21 LEU N N 21 116.369 117.007 -0.638 1
1 153 . 15 1 1 A 22 22 GLU H H 22 7.611 8.217 -0.606 1
1 154 . 15 1 1 A 22 22 GLU HA H 22 4.309 4.188 0.121 1
1 159 . 15 1 1 A 22 22 GLU C C 22 180.755 179.235 1.520 1
1 160 . 15 1 1 A 22 22 GLU CA C 22 59.887 60.062 -0.175 1
1 161 . 15 1 1 A 22 22 GLU CB C 22 29.715 29.645 0.070 1
1 163 . 15 1 1 A 22 22 GLU N N 22 119.345 119.586 -0.241 1
1 164 . 15 1 1 A 23 23 ARG H H 23 8.662 8.094 0.568 1
1 165 . 15 1 1 A 23 23 ARG HA H 23 4.143 4.145 -0.002 1
1 172 . 15 1 1 A 23 23 ARG C C 23 179.115 178.721 0.394 1
1 173 . 15 1 1 A 23 23 ARG CA C 23 59.453 59.472 -0.019 1
1 174 . 15 1 1 A 23 23 ARG CB C 23 30.628 30.088 0.540 1
1 177 . 15 1 1 A 23 23 ARG N N 23 119.060 119.288 -0.228 1
1 178 . 15 1 1 A 24 24 TYR H H 24 7.798 7.782 0.016 1
1 179 . 15 1 1 A 24 24 TYR HA H 24 4.349 4.409 -0.060 1
1 186 . 15 1 1 A 24 24 TYR C C 24 178.627 177.959 0.668 1
1 187 . 15 1 1 A 24 24 TYR CA C 24 61.883 61.717 0.166 1
1 188 . 15 1 1 A 24 24 TYR CB C 24 39.326 38.925 0.401 1
1 193 . 15 1 1 A 24 24 TYR N N 24 122.046 120.540 1.506 1
1 194 . 15 1 1 A 25 25 TRP H H 25 9.612 8.135 1.477 1
1 195 . 15 1 1 A 25 25 TRP HA H 25 4.680 4.417 0.263 1
1 204 . 15 1 1 A 25 25 TRP C C 25 178.218 178.876 -0.658 1
1 205 . 15 1 1 A 25 25 TRP CA C 25 60.775 61.276 -0.501 1
1 206 . 15 1 1 A 25 25 TRP CB C 25 29.956 29.700 0.256 1
1 212 . 15 1 1 A 25 25 TRP N N 25 121.351 121.532 -0.181 1
1 214 . 15 1 1 A 26 26 ALA H H 26 8.336 8.600 -0.264 1
1 215 . 15 1 1 A 26 26 ALA HA H 26 3.911 4.126 -0.215 1
1 219 . 15 1 1 A 26 26 ALA C C 26 178.850 178.916 -0.066 1
1 220 . 15 1 1 A 26 26 ALA CA C 26 54.720 54.270 0.450 1
1 221 . 15 1 1 A 26 26 ALA CB C 26 18.147 18.384 -0.237 1
1 222 . 15 1 1 A 26 26 ALA N N 26 118.991 121.405 -2.414 1
1 223 . 15 1 1 A 27 27 ALA H H 27 7.261 8.014 -0.753 1
1 224 . 15 1 1 A 27 27 ALA HA H 27 4.071 4.294 -0.223 1
1 228 . 15 1 1 A 27 27 ALA C C 27 178.433 179.145 -0.712 1
1 229 . 15 1 1 A 27 27 ALA CA C 27 53.440 54.163 -0.723 1
1 230 . 15 1 1 A 27 27 ALA CB C 27 18.789 19.743 -0.954 1
1 231 . 15 1 1 A 27 27 ALA N N 27 116.928 119.835 -2.907 1
1 232 . 15 1 1 A 28 28 HIS H H 28 7.810 8.261 -0.451 1
1 233 . 15 1 1 A 28 28 HIS HA H 28 4.574 4.393 0.181 1
1 238 . 15 1 1 A 28 28 HIS C C 28 175.351 175.069 0.282 1
1 239 . 15 1 1 A 28 28 HIS CA C 28 56.709 57.591 -0.882 1
1 240 . 15 1 1 A 28 28 HIS CB C 28 31.928 30.185 1.743 1
1 243 . 15 1 1 A 28 28 HIS N N 28 113.337 113.901 -0.564 1
1 244 . 15 1 1 A 29 29 GLN H H 29 8.811 7.821 0.990 1
1 245 . 15 1 1 A 29 29 GLN HA H 29 2.344 3.187 -0.843 1
1 251 . 15 1 1 A 29 29 GLN C C 29 173.677 173.947 -0.270 1
1 252 . 15 1 1 A 29 29 GLN CA C 29 57.111 56.620 0.491 1
1 253 . 15 1 1 A 29 29 GLN CB C 29 26.795 27.469 -0.674 1
1 255 . 15 1 1 A 29 29 GLN N N 29 115.607 118.547 -2.940 1
1 257 . 15 1 1 A 30 30 GLN H H 30 7.465 7.628 -0.163 1
1 258 . 15 1 1 A 30 30 GLN HA H 30 4.607 5.102 -0.495 1
1 265 . 15 1 1 A 30 30 GLN C C 30 173.052 173.730 -0.678 1
1 266 . 15 1 1 A 30 30 GLN CA C 30 54.807 54.679 0.128 1
1 267 . 15 1 1 A 30 30 GLN CB C 30 30.766 33.174 -2.408 1
1 269 . 15 1 1 A 30 30 GLN N N 30 112.695 118.033 -5.338 1
1 271 . 15 1 1 A 31 31 LEU H H 31 8.805 9.028 -0.223 1
1 272 . 15 1 1 A 31 31 LEU HA H 31 4.440 5.018 -0.578 1
1 282 . 15 1 1 A 31 31 LEU C C 31 176.017 174.526 1.491 1
1 283 . 15 1 1 A 31 31 LEU CA C 31 54.608 53.336 1.272 1
1 284 . 15 1 1 A 31 31 LEU CB C 31 42.819 45.386 -2.567 1
1 288 . 15 1 1 A 31 31 LEU N N 31 121.685 124.695 -3.010 1
1 289 . 15 1 1 A 32 32 ARG H H 32 7.422 8.559 -1.137 1
1 290 . 15 1 1 A 32 32 ARG HA H 32 4.574 4.901 -0.327 1
1 297 . 15 1 1 A 32 32 ARG C C 32 177.277 176.505 0.772 1
1 298 . 15 1 1 A 32 32 ARG CA C 32 55.071 53.904 1.167 1
1 299 . 15 1 1 A 32 32 ARG CB C 32 29.854 33.351 -3.497 1
1 302 . 15 1 1 A 32 32 ARG N N 32 126.338 124.940 1.398 1
1 303 . 15 1 1 A 33 33 GLU H H 33 9.164 9.023 0.141 1
1 304 . 15 1 1 A 33 33 GLU HA H 33 3.766 3.980 -0.214 1
1 309 . 15 1 1 A 33 33 GLU C C 33 178.939 178.435 0.504 1
1 310 . 15 1 1 A 33 33 GLU CA C 33 60.097 59.323 0.774 1
1 311 . 15 1 1 A 33 33 GLU CB C 33 29.340 29.297 0.043 1
1 313 . 15 1 1 A 33 33 GLU N N 33 126.822 123.526 3.296 1
1 314 . 15 1 1 A 34 34 THR H H 34 7.785 7.670 0.115 1
1 315 . 15 1 1 A 34 34 THR HA H 34 4.055 4.112 -0.057 1
1 320 . 15 1 1 A 34 34 THR C C 34 175.387 176.119 -0.732 1
1 321 . 15 1 1 A 34 34 THR CA C 34 63.631 66.198 -2.567 1
1 322 . 15 1 1 A 34 34 THR CB C 34 68.560 68.937 -0.377 1
1 324 . 15 1 1 A 34 34 THR N N 34 108.953 117.324 -8.371 1
1 325 . 15 1 1 A 35 35 ASP H H 35 7.841 8.388 -0.547 1
1 326 . 15 1 1 A 35 35 ASP HA H 35 4.928 4.279 0.649 1
1 329 . 15 1 1 A 35 35 ASP C C 35 175.827 177.907 -2.080 1
1 330 . 15 1 1 A 35 35 ASP CA C 35 55.169 54.938 0.231 1
1 331 . 15 1 1 A 35 35 ASP CB C 35 41.057 40.087 0.970 1
1 332 . 15 1 1 A 35 35 ASP N N 35 119.019 119.743 -0.724 1
1 333 . 15 1 1 A 36 36 ILE H H 36 7.388 7.736 -0.348 1
1 334 . 15 1 1 A 36 36 ILE HA H 36 3.495 3.634 -0.139 1
1 344 . 15 1 1 A 36 36 ILE C C 36 174.161 175.197 -1.036 1
1 345 . 15 1 1 A 36 36 ILE CA C 36 67.912 66.294 1.618 1
1 346 . 15 1 1 A 36 36 ILE CB C 36 35.457 35.562 -0.105 1
1 350 . 15 1 1 A 36 36 ILE N N 36 119.567 120.827 -1.260 1
1 351 . 15 1 1 A 37 37 PRO HA H 37 4.232 4.251 -0.019 1
1 358 . 15 1 1 A 37 37 PRO C C 37 179.572 178.798 0.774 1
1 359 . 15 1 1 A 37 37 PRO CA C 37 66.890 66.004 0.886 1
1 360 . 15 1 1 A 37 37 PRO CB C 37 30.704 30.415 0.289 1
1 363 . 15 1 1 A 38 38 GLN H H 38 7.837 8.038 -0.201 1
1 364 . 15 1 1 A 38 38 GLN HA H 38 4.143 4.036 0.107 1
1 371 . 15 1 1 A 38 38 GLN C C 38 178.918 178.408 0.510 1
1 372 . 15 1 1 A 38 38 GLN CA C 38 59.171 58.896 0.275 1
1 373 . 15 1 1 A 38 38 GLN CB C 38 27.986 28.313 -0.327 1
1 375 . 15 1 1 A 38 38 GLN N N 38 117.627 117.294 0.333 1
1 377 . 15 1 1 A 39 39 LEU H H 39 7.991 8.362 -0.371 1
1 378 . 15 1 1 A 39 39 LEU HA H 39 3.995 3.986 0.009 1
1 388 . 15 1 1 A 39 39 LEU C C 39 180.831 178.615 2.216 1
1 389 . 15 1 1 A 39 39 LEU CA C 39 57.722 57.573 0.149 1
1 390 . 15 1 1 A 39 39 LEU CB C 39 42.314 41.522 0.792 1
1 394 . 15 1 1 A 39 39 LEU N N 39 121.128 120.117 1.011 1
1 395 . 15 1 1 A 40 40 SER H H 40 8.980 8.138 0.842 1
1 396 . 15 1 1 A 40 40 SER HA H 40 4.086 3.976 0.110 1
1 399 . 15 1 1 A 40 40 SER C C 40 176.517 177.022 -0.505 1
1 400 . 15 1 1 A 40 40 SER CA C 40 60.859 61.468 -0.609 1
1 401 . 15 1 1 A 40 40 SER CB C 40 63.255 62.924 0.331 1
1 402 . 15 1 1 A 40 40 SER N N 40 117.510 113.799 3.711 1
1 403 . 15 1 1 A 41 41 GLN H H 41 8.074 7.481 0.593 1
1 404 . 15 1 1 A 41 41 GLN HA H 41 4.014 4.102 -0.088 1
1 411 . 15 1 1 A 41 41 GLN C C 41 178.637 178.417 0.220 1
1 412 . 15 1 1 A 41 41 GLN CA C 41 58.955 58.245 0.710 1
1 413 . 15 1 1 A 41 41 GLN CB C 41 28.421 28.122 0.299 1
1 415 . 15 1 1 A 41 41 GLN N N 41 120.218 121.497 -1.279 1
1 417 . 15 1 1 A 42 42 ALA H H 42 8.149 7.896 0.253 1
1 418 . 15 1 1 A 42 42 ALA HA H 42 4.162 4.147 0.015 1
1 422 . 15 1 1 A 42 42 ALA C C 42 178.442 179.609 -1.167 1
1 423 . 15 1 1 A 42 42 ALA CA C 42 54.567 54.960 -0.393 1
1 424 . 15 1 1 A 42 42 ALA CB C 42 19.202 18.491 0.711 1
1 425 . 15 1 1 A 42 42 ALA N N 42 118.903 122.420 -3.517 1
1 426 . 15 1 1 A 43 43 SER H H 43 7.784 7.890 -0.106 1
1 427 . 15 1 1 A 43 43 SER HA H 43 4.851 4.648 0.203 1
1 430 . 15 1 1 A 43 43 SER C C 43 175.304 174.418 0.886 1
1 431 . 15 1 1 A 43 43 SER CA C 43 59.180 58.352 0.828 1
1 432 . 15 1 1 A 43 43 SER CB C 43 66.897 63.557 3.340 1
1 433 . 15 1 1 A 43 43 SER N N 43 109.522 110.160 -0.638 1
1 434 . 15 1 1 A 44 44 ARG H H 44 7.799 7.856 -0.057 1
1 435 . 15 1 1 A 44 44 ARG HA H 44 3.872 3.860 0.012 1
1 441 . 15 1 1 A 44 44 ARG C C 44 175.312 174.649 0.663 1
1 442 . 15 1 1 A 44 44 ARG CA C 44 58.582 57.380 1.202 1
1 443 . 15 1 1 A 44 44 ARG CB C 44 26.661 26.848 -0.187 1
1 446 . 15 1 1 A 44 44 ARG N N 44 114.335 116.373 -2.038 1
1 447 . 15 1 1 A 45 45 LEU H H 45 7.759 7.812 -0.053 1
1 448 . 15 1 1 A 45 45 LEU HA H 45 4.571 4.867 -0.296 1
1 458 . 15 1 1 A 45 45 LEU C C 45 177.069 176.995 0.074 1
1 459 . 15 1 1 A 45 45 LEU CA C 45 53.471 53.178 0.293 1
1 460 . 15 1 1 A 45 45 LEU CB C 45 43.845 43.907 -0.062 1
1 464 . 15 1 1 A 45 45 LEU N N 45 120.316 118.844 1.472 1
1 465 . 15 1 1 A 46 46 SER H H 46 9.062 8.675 0.387 1
1 466 . 15 1 1 A 46 46 SER HA H 46 4.446 4.869 -0.423 1
1 469 . 15 1 1 A 46 46 SER C C 46 174.731 176.184 -1.453 1
1 470 . 15 1 1 A 46 46 SER CA C 46 57.302 56.528 0.774 1
1 471 . 15 1 1 A 46 46 SER CB C 46 65.202 65.926 -0.724 1
1 472 . 15 1 1 A 46 46 SER N N 46 117.855 113.781 4.074 1
1 473 . 15 1 1 A 47 47 THR H H 47 8.770 8.936 -0.166 1
1 474 . 15 1 1 A 47 47 THR HA H 47 3.578 3.862 -0.284 1
1 479 . 15 1 1 A 47 47 THR C C 47 176.003 176.362 -0.359 1
1 480 . 15 1 1 A 47 47 THR CA C 47 67.477 65.693 1.784 1
1 481 . 15 1 1 A 47 47 THR CB C 47 68.317 68.608 -0.291 1
1 483 . 15 1 1 A 47 47 THR N N 47 115.428 117.889 -2.461 1
1 484 . 15 1 1 A 48 48 GLN H H 48 8.292 7.712 0.580 1
1 485 . 15 1 1 A 48 48 GLN HA H 48 3.890 4.052 -0.162 1
1 492 . 15 1 1 A 48 48 GLN C C 48 177.625 178.103 -0.478 1
1 493 . 15 1 1 A 48 48 GLN CA C 48 58.482 59.009 -0.527 1
1 494 . 15 1 1 A 48 48 GLN CB C 48 28.614 28.615 -0.001 1
1 496 . 15 1 1 A 48 48 GLN N N 48 119.078 119.980 -0.902 1
1 498 . 15 1 1 A 49 49 GLN H H 49 7.765 8.066 -0.301 1
1 499 . 15 1 1 A 49 49 GLN HA H 49 4.153 3.975 0.178 1
1 506 . 15 1 1 A 49 49 GLN C C 49 180.153 178.848 1.305 1
1 507 . 15 1 1 A 49 49 GLN CA C 49 58.927 59.318 -0.391 1
1 508 . 15 1 1 A 49 49 GLN CB C 49 30.030 28.393 1.637 1
1 510 . 15 1 1 A 49 49 GLN N N 49 117.667 118.981 -1.314 1
1 512 . 15 1 1 A 50 50 VAL H H 50 8.465 7.767 0.698 1
1 513 . 15 1 1 A 50 50 VAL HA H 50 3.620 3.770 -0.150 1
1 521 . 15 1 1 A 50 50 VAL C C 50 177.691 178.342 -0.651 1
1 522 . 15 1 1 A 50 50 VAL CA C 50 67.588 66.579 1.009 1
1 523 . 15 1 1 A 50 50 VAL CB C 50 31.470 31.355 0.115 1
1 526 . 15 1 1 A 50 50 VAL N N 50 122.227 120.002 2.225 1
1 527 . 15 1 1 A 51 51 LEU H H 51 8.119 8.233 -0.114 1
1 528 . 15 1 1 A 51 51 LEU HA H 51 3.975 3.975 0.000 1
1 538 . 15 1 1 A 51 51 LEU C C 51 179.950 179.092 0.858 1
1 539 . 15 1 1 A 51 51 LEU CA C 51 59.206 58.146 1.060 1
1 540 . 15 1 1 A 51 51 LEU CB C 51 41.515 41.084 0.431 1
1 544 . 15 1 1 A 51 51 LEU N N 51 120.724 120.139 0.585 1
1 545 . 15 1 1 A 52 52 ASP H H 52 8.780 8.187 0.593 1
1 546 . 15 1 1 A 52 52 ASP HA H 52 4.344 4.384 -0.040 1
1 549 . 15 1 1 A 52 52 ASP C C 52 178.654 178.518 0.136 1
1 550 . 15 1 1 A 52 52 ASP CA C 52 57.310 57.122 0.188 1
1 551 . 15 1 1 A 52 52 ASP CB C 52 40.418 40.515 -0.097 1
1 552 . 15 1 1 A 52 52 ASP N N 52 118.559 119.056 -0.497 1
1 553 . 15 1 1 A 53 53 TRP H H 53 8.180 8.002 0.178 1
1 554 . 15 1 1 A 53 53 TRP HA H 53 3.905 4.337 -0.432 1
1 563 . 15 1 1 A 53 53 TRP C C 53 180.216 178.191 2.025 1
1 564 . 15 1 1 A 53 53 TRP CA C 53 62.801 61.113 1.688 1
1 565 . 15 1 1 A 53 53 TRP CB C 53 29.117 30.054 -0.937 1
1 571 . 15 1 1 A 53 53 TRP N N 53 123.121 121.944 1.177 1
1 573 . 15 1 1 A 54 54 PHE H H 54 8.371 8.402 -0.031 1
1 574 . 15 1 1 A 54 54 PHE HA H 54 3.786 3.947 -0.161 1
1 582 . 15 1 1 A 54 54 PHE C C 54 178.605 177.588 1.017 1
1 583 . 15 1 1 A 54 54 PHE CA C 54 63.242 62.245 0.997 1
1 584 . 15 1 1 A 54 54 PHE CB C 54 39.446 38.655 0.791 1
1 590 . 15 1 1 A 54 54 PHE N N 54 117.319 117.574 -0.255 1
1 591 . 15 1 1 A 55 55 ASP H H 55 8.609 8.199 0.410 1
1 592 . 15 1 1 A 55 55 ASP HA H 55 4.499 4.392 0.107 1
1 595 . 15 1 1 A 55 55 ASP C C 55 177.993 178.198 -0.205 1
1 596 . 15 1 1 A 55 55 ASP CA C 55 57.370 57.559 -0.189 1
1 597 . 15 1 1 A 55 55 ASP CB C 55 41.096 41.807 -0.711 1
1 598 . 15 1 1 A 55 55 ASP N N 55 120.805 120.095 0.710 1
1 599 . 15 1 1 A 56 56 SER H H 56 7.450 8.111 -0.661 1
1 600 . 15 1 1 A 56 56 SER HA H 56 4.236 4.088 0.148 1
1 603 . 15 1 1 A 56 56 SER C C 56 174.228 177.045 -2.817 1
1 604 . 15 1 1 A 56 56 SER CA C 56 59.538 61.022 -1.484 1
1 605 . 15 1 1 A 56 56 SER CB C 56 63.340 63.075 0.265 1
1 606 . 15 1 1 A 56 56 SER N N 56 111.640 114.220 -2.580 1
1 607 . 15 1 1 A 57 57 ARG H H 57 7.061 7.337 -0.276 1
1 608 . 15 1 1 A 57 57 ARG HA H 57 3.803 3.871 -0.068 1
1 615 . 15 1 1 A 57 57 ARG C C 57 175.909 177.162 -1.253 1
1 616 . 15 1 1 A 57 57 ARG CA C 57 55.254 58.318 -3.064 1
1 617 . 15 1 1 A 57 57 ARG CB C 57 30.216 29.231 0.985 1
1 620 . 15 1 1 A 57 57 ARG N N 57 120.670 119.202 1.468 1
1 621 . 15 1 1 A 58 58 LEU H H 58 7.519 7.032 0.487 1
1 622 . 15 1 1 A 58 58 LEU HA H 58 4.611 4.514 0.097 1
1 632 . 15 1 1 A 58 58 LEU C C 58 174.867 176.716 -1.849 1
1 633 . 15 1 1 A 58 58 LEU CA C 58 53.322 54.073 -0.751 1
1 634 . 15 1 1 A 58 58 LEU CB C 58 41.891 41.327 0.564 1
1 638 . 15 1 1 A 58 58 LEU N N 58 122.146 121.671 0.475 1
1 639 . 15 1 1 A 59 59 PRO HA H 59 4.489 4.536 -0.047 1
1 645 . 15 1 1 A 59 59 PRO C C 59 176.849 176.095 0.754 1
1 646 . 15 1 1 A 59 59 PRO CA C 59 63.047 63.694 -0.647 1
1 647 . 15 1 1 A 59 59 PRO CB C 59 32.066 31.854 0.212 1
1 650 . 15 1 1 A 60 60 GLN H H 60 8.496 7.658 0.838 1
1 651 . 15 1 1 A 60 60 GLN HA H 60 4.595 4.524 0.071 1
1 658 . 15 1 1 A 60 60 GLN C C 60 174.178 174.994 -0.816 1
1 659 . 15 1 1 A 60 60 GLN CA C 60 53.464 54.664 -1.200 1
1 660 . 15 1 1 A 60 60 GLN CB C 60 28.989 28.635 0.354 1
1 662 . 15 1 1 A 60 60 GLN N N 60 121.828 119.683 2.145 1
1 664 . 15 1 1 A 61 61 PRO HA H 61 4.397 4.700 -0.303 1
1 670 . 15 1 1 A 61 61 PRO C C 61 176.634 176.090 0.544 1
1 671 . 15 1 1 A 61 61 PRO CA C 61 63.150 62.838 0.312 1
1 672 . 15 1 1 A 61 61 PRO CB C 61 32.103 31.386 0.717 1
1 675 . 15 1 1 A 62 62 ALA H H 62 8.445 8.388 0.057 1
1 676 . 15 1 1 A 62 62 ALA HA H 62 4.280 4.732 -0.452 1
1 680 . 15 1 1 A 62 62 ALA C C 62 177.871 175.267 2.604 1
1 681 . 15 1 1 A 62 62 ALA CA C 62 52.522 51.552 0.970 1
1 682 . 15 1 1 A 62 62 ALA CB C 62 19.309 22.851 -3.542 1
1 683 . 15 1 1 A 62 62 ALA N N 62 124.460 124.682 -0.222 1
1 684 . 15 1 1 A 63 63 GLU H H 63 8.410 8.796 -0.386 1
1 685 . 15 1 1 A 63 63 GLU HA H 63 4.287 4.824 -0.537 1
1 689 . 15 1 1 A 63 63 GLU C C 63 176.521 175.140 1.381 1
1 690 . 15 1 1 A 63 63 GLU CA C 63 56.478 55.551 0.927 1
1 691 . 15 1 1 A 63 63 GLU CB C 63 30.371 31.312 -0.941 1
1 693 . 15 1 1 A 63 63 GLU N N 63 120.216 122.986 -2.770 1
1 694 . 15 1 1 A 64 64 VAL H H 64 8.221 8.577 -0.356 1
1 695 . 15 1 1 A 64 64 VAL HA H 64 4.177 4.994 -0.817 1
1 703 . 15 1 1 A 64 64 VAL C C 64 176.179 173.957 2.222 1
1 704 . 15 1 1 A 64 64 VAL CA C 64 62.212 59.466 2.746 1
1 705 . 15 1 1 A 64 64 VAL CB C 64 32.875 35.609 -2.734 1
1 708 . 15 1 1 A 64 64 VAL N N 64 121.436 126.558 -5.122 1
1 709 . 15 1 1 A 65 65 SER H H 65 8.421 8.631 -0.210 1
1 710 . 15 1 1 A 65 65 SER HA H 65 4.500 5.017 -0.517 1
1 713 . 15 1 1 A 65 65 SER C C 65 174.560 172.730 1.830 1
1 714 . 15 1 1 A 65 65 SER CA C 65 58.411 57.422 0.989 1
1 715 . 15 1 1 A 65 65 SER CB C 65 63.999 65.704 -1.705 1
1 716 . 15 1 1 A 65 65 SER N N 65 119.752 121.377 -1.625 1
1 717 . 15 1 1 A 66 66 GLY H H 66 8.268 8.448 -0.180 1
1 718 . 15 1 1 A 66 66 GLY HA2 H 66 4.065 4.289 -0.224 1
1 719 . 15 1 1 A 66 66 GLY HA3 H 66 4.191 4.289 -0.098 1
1 720 . 15 1 1 A 66 66 GLY C C 66 171.744 174.117 -2.373 1
1 721 . 15 1 1 A 66 66 GLY CA C 66 44.679 44.858 -0.179 1
1 722 . 15 1 1 A 66 66 GLY N N 66 110.950 107.624 3.326 1
1 723 . 15 1 1 A 67 67 PRO HA H 67 4.481 4.440 0.041 1
1 728 . 15 1 1 A 67 67 PRO C C 67 177.427 176.350 1.077 1
1 729 . 15 1 1 A 67 67 PRO CA C 67 63.264 64.211 -0.947 1
1 730 . 15 1 1 A 67 67 PRO CB C 67 32.200 32.193 0.007 1
1 733 . 15 1 1 A 68 68 SER H H 68 8.543 7.682 0.861 1
1 734 . 15 1 1 A 68 68 SER HA H 68 4.559 5.055 -0.496 1
1 737 . 15 1 1 A 68 68 SER C C 68 174.726 171.547 3.179 1
1 738 . 15 1 1 A 68 68 SER CA C 68 58.368 57.600 0.768 1
1 739 . 15 1 1 A 68 68 SER CB C 68 63.934 67.622 -3.688 1
1 740 . 15 1 1 A 68 68 SER N N 68 116.507 114.610 1.897 1
1 741 . 15 1 1 A 69 69 SER H H 69 8.349 8.703 -0.354 1
1 742 . 15 1 1 A 69 69 SER HA H 69 4.507 5.037 -0.530 1
1 745 . 15 1 1 A 69 69 SER C C 69 173.960 173.957 0.003 1
1 746 . 15 1 1 A 69 69 SER CA C 69 58.355 56.828 1.527 1
1 747 . 15 1 1 A 69 69 SER CB C 69 63.993 64.350 -0.357 1
1 748 . 15 1 1 A 69 69 SER N N 69 117.971 118.139 -0.168 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.533 5.047 -0.514 1
1 4 . 16 1 1 A 6 6 SER C C 6 174.513 173.642 0.871 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.407 56.304 2.103 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.873 65.858 -1.985 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.204 8.359 -0.155 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 4.085 4.037 0.048 1
1 9 . 16 1 1 A 7 7 GLY C C 7 171.507 173.863 -2.356 1
1 10 . 16 1 1 A 7 7 GLY CA C 7 44.598 45.643 -1.045 1
1 11 . 16 1 1 A 7 7 GLY N N 7 110.772 107.656 3.116 1
1 12 . 16 1 1 A 8 8 PRO HA H 8 4.421 4.547 -0.126 1
1 17 . 16 1 1 A 8 8 PRO C C 8 176.943 176.650 0.293 1
1 18 . 16 1 1 A 8 8 PRO CA C 8 62.917 62.725 0.192 1
1 19 . 16 1 1 A 8 8 PRO CB C 8 32.101 32.512 -0.411 1
1 22 . 16 1 1 A 9 9 LEU H H 9 8.334 8.334 0.000 1
1 23 . 16 1 1 A 9 9 LEU HA H 9 4.584 4.487 0.097 1
1 33 . 16 1 1 A 9 9 LEU C C 9 175.412 174.912 0.500 1
1 34 . 16 1 1 A 9 9 LEU CA C 9 53.030 53.427 -0.397 1
1 35 . 16 1 1 A 9 9 LEU CB C 9 41.804 41.052 0.752 1
1 39 . 16 1 1 A 9 9 LEU N N 9 123.997 123.558 0.439 1
1 40 . 16 1 1 A 10 10 PRO HA H 10 4.425 4.505 -0.080 1
1 46 . 16 1 1 A 10 10 PRO C C 10 176.530 177.036 -0.506 1
1 47 . 16 1 1 A 10 10 PRO CA C 10 62.801 62.849 -0.048 1
1 48 . 16 1 1 A 10 10 PRO CB C 10 31.871 32.466 -0.595 1
1 51 . 16 1 1 A 11 11 ILE H H 11 8.216 8.307 -0.091 1
1 52 . 16 1 1 A 11 11 ILE HA H 11 4.429 4.389 0.040 1
1 62 . 16 1 1 A 11 11 ILE C C 11 174.437 174.892 -0.455 1
1 63 . 16 1 1 A 11 11 ILE CA C 11 58.548 59.647 -1.099 1
1 64 . 16 1 1 A 11 11 ILE CB C 11 38.746 38.063 0.683 1
1 68 . 16 1 1 A 11 11 ILE N N 11 123.082 118.292 4.790 1
1 72 . 16 1 1 A 16 16 PRO HA H 16 4.575 4.557 0.018 1
1 78 . 16 1 1 A 16 16 PRO C C 16 175.885 175.329 0.556 1
1 79 . 16 1 1 A 16 16 PRO CA C 16 63.146 62.542 0.604 1
1 80 . 16 1 1 A 16 16 PRO CB C 16 32.894 32.365 0.529 1
1 83 . 16 1 1 A 17 17 ASP H H 17 8.822 8.661 0.161 1
1 84 . 16 1 1 A 17 17 ASP HA H 17 4.832 4.792 0.040 1
1 87 . 16 1 1 A 17 17 ASP C C 17 174.878 176.594 -1.716 1
1 88 . 16 1 1 A 17 17 ASP CA C 17 52.473 52.939 -0.466 1
1 89 . 16 1 1 A 17 17 ASP CB C 17 42.755 41.610 1.145 1
1 90 . 16 1 1 A 17 17 ASP N N 17 121.885 120.098 1.787 1
1 91 . 16 1 1 A 18 18 ILE H H 18 8.259 8.570 -0.311 1
1 92 . 16 1 1 A 18 18 ILE HA H 18 3.889 3.987 -0.098 1
1 102 . 16 1 1 A 18 18 ILE C C 18 178.346 176.931 1.415 1
1 103 . 16 1 1 A 18 18 ILE CA C 18 59.806 61.316 -1.510 1
1 104 . 16 1 1 A 18 18 ILE CB C 18 38.247 38.281 -0.034 1
1 108 . 16 1 1 A 18 18 ILE N N 18 118.184 126.156 -7.972 1
1 109 . 16 1 1 A 19 19 GLN H H 19 8.404 7.752 0.652 1
1 110 . 16 1 1 A 19 19 GLN HA H 19 4.199 4.135 0.064 1
1 117 . 16 1 1 A 19 19 GLN C C 19 175.287 174.260 1.027 1
1 118 . 16 1 1 A 19 19 GLN CA C 19 60.889 60.798 0.091 1
1 119 . 16 1 1 A 19 19 GLN CB C 19 26.552 26.790 -0.238 1
1 121 . 16 1 1 A 19 19 GLN N N 19 123.230 122.628 0.602 1
1 123 . 16 1 1 A 20 20 PRO HA H 20 4.217 4.245 -0.028 1
1 130 . 16 1 1 A 20 20 PRO C C 20 179.677 179.383 0.294 1
1 131 . 16 1 1 A 20 20 PRO CA C 20 65.855 66.143 -0.288 1
1 132 . 16 1 1 A 20 20 PRO CB C 20 31.439 30.669 0.770 1
1 135 . 16 1 1 A 21 21 LEU H H 21 7.026 7.421 -0.395 1
1 136 . 16 1 1 A 21 21 LEU HA H 21 3.885 4.028 -0.143 1
1 146 . 16 1 1 A 21 21 LEU C C 21 177.599 178.278 -0.679 1
1 147 . 16 1 1 A 21 21 LEU CA C 21 58.435 57.175 1.260 1
1 148 . 16 1 1 A 21 21 LEU CB C 21 37.236 40.800 -3.564 1
1 152 . 16 1 1 A 21 21 LEU N N 21 116.369 116.914 -0.545 1
1 153 . 16 1 1 A 22 22 GLU H H 22 7.611 8.263 -0.652 1
1 154 . 16 1 1 A 22 22 GLU HA H 22 4.309 4.151 0.158 1
1 159 . 16 1 1 A 22 22 GLU C C 22 180.755 179.309 1.446 1
1 160 . 16 1 1 A 22 22 GLU CA C 22 59.887 60.008 -0.121 1
1 161 . 16 1 1 A 22 22 GLU CB C 22 29.715 29.393 0.322 1
1 163 . 16 1 1 A 22 22 GLU N N 22 119.345 119.370 -0.025 1
1 164 . 16 1 1 A 23 23 ARG H H 23 8.662 8.166 0.496 1
1 165 . 16 1 1 A 23 23 ARG HA H 23 4.143 4.143 0.000 1
1 172 . 16 1 1 A 23 23 ARG C C 23 179.115 178.838 0.277 1
1 173 . 16 1 1 A 23 23 ARG CA C 23 59.453 59.452 0.001 1
1 174 . 16 1 1 A 23 23 ARG CB C 23 30.628 30.342 0.286 1
1 177 . 16 1 1 A 23 23 ARG N N 23 119.060 119.520 -0.460 1
1 178 . 16 1 1 A 24 24 TYR H H 24 7.798 7.821 -0.023 1
1 179 . 16 1 1 A 24 24 TYR HA H 24 4.349 4.330 0.019 1
1 186 . 16 1 1 A 24 24 TYR C C 24 178.627 177.884 0.743 1
1 187 . 16 1 1 A 24 24 TYR CA C 24 61.883 61.687 0.196 1
1 188 . 16 1 1 A 24 24 TYR CB C 24 39.326 38.924 0.402 1
1 193 . 16 1 1 A 24 24 TYR N N 24 122.046 120.607 1.439 1
1 194 . 16 1 1 A 25 25 TRP H H 25 9.612 8.162 1.450 1
1 195 . 16 1 1 A 25 25 TRP HA H 25 4.680 4.418 0.262 1
1 204 . 16 1 1 A 25 25 TRP C C 25 178.218 178.858 -0.640 1
1 205 . 16 1 1 A 25 25 TRP CA C 25 60.775 61.217 -0.442 1
1 206 . 16 1 1 A 25 25 TRP CB C 25 29.956 29.785 0.171 1
1 212 . 16 1 1 A 25 25 TRP N N 25 121.351 121.494 -0.143 1
1 214 . 16 1 1 A 26 26 ALA H H 26 8.336 8.431 -0.095 1
1 215 . 16 1 1 A 26 26 ALA HA H 26 3.911 4.102 -0.191 1
1 219 . 16 1 1 A 26 26 ALA C C 26 178.850 178.961 -0.111 1
1 220 . 16 1 1 A 26 26 ALA CA C 26 54.720 54.357 0.363 1
1 221 . 16 1 1 A 26 26 ALA CB C 26 18.147 18.429 -0.282 1
1 222 . 16 1 1 A 26 26 ALA N N 26 118.991 121.414 -2.423 1
1 223 . 16 1 1 A 27 27 ALA H H 27 7.261 8.020 -0.759 1
1 224 . 16 1 1 A 27 27 ALA HA H 27 4.071 4.320 -0.249 1
1 228 . 16 1 1 A 27 27 ALA C C 27 178.433 179.077 -0.644 1
1 229 . 16 1 1 A 27 27 ALA CA C 27 53.440 54.031 -0.591 1
1 230 . 16 1 1 A 27 27 ALA CB C 27 18.789 19.912 -1.123 1
1 231 . 16 1 1 A 27 27 ALA N N 27 116.928 119.598 -2.670 1
1 232 . 16 1 1 A 28 28 HIS H H 28 7.810 8.370 -0.560 1
1 233 . 16 1 1 A 28 28 HIS HA H 28 4.574 4.363 0.211 1
1 238 . 16 1 1 A 28 28 HIS C C 28 175.351 175.054 0.297 1
1 239 . 16 1 1 A 28 28 HIS CA C 28 56.709 58.529 -1.820 1
1 240 . 16 1 1 A 28 28 HIS CB C 28 31.928 30.064 1.864 1
1 243 . 16 1 1 A 28 28 HIS N N 28 113.337 115.109 -1.772 1
1 244 . 16 1 1 A 29 29 GLN H H 29 8.811 7.729 1.082 1
1 245 . 16 1 1 A 29 29 GLN HA H 29 2.344 3.069 -0.725 1
1 251 . 16 1 1 A 29 29 GLN C C 29 173.677 174.121 -0.444 1
1 252 . 16 1 1 A 29 29 GLN CA C 29 57.111 56.450 0.661 1
1 253 . 16 1 1 A 29 29 GLN CB C 29 26.795 27.276 -0.481 1
1 255 . 16 1 1 A 29 29 GLN N N 29 115.607 118.531 -2.924 1
1 257 . 16 1 1 A 30 30 GLN H H 30 7.465 7.443 0.022 1
1 258 . 16 1 1 A 30 30 GLN HA H 30 4.607 4.908 -0.301 1
1 265 . 16 1 1 A 30 30 GLN C C 30 173.052 173.281 -0.229 1
1 266 . 16 1 1 A 30 30 GLN CA C 30 54.807 54.949 -0.142 1
1 267 . 16 1 1 A 30 30 GLN CB C 30 30.766 30.863 -0.097 1
1 269 . 16 1 1 A 30 30 GLN N N 30 112.695 114.480 -1.785 1
1 271 . 16 1 1 A 31 31 LEU H H 31 8.805 9.097 -0.292 1
1 272 . 16 1 1 A 31 31 LEU HA H 31 4.440 5.121 -0.681 1
1 282 . 16 1 1 A 31 31 LEU C C 31 176.017 174.475 1.542 1
1 283 . 16 1 1 A 31 31 LEU CA C 31 54.608 53.443 1.165 1
1 284 . 16 1 1 A 31 31 LEU CB C 31 42.819 46.012 -3.193 1
1 288 . 16 1 1 A 31 31 LEU N N 31 121.685 123.379 -1.694 1
1 289 . 16 1 1 A 32 32 ARG H H 32 7.422 8.364 -0.942 1
1 290 . 16 1 1 A 32 32 ARG HA H 32 4.574 4.903 -0.329 1
1 297 . 16 1 1 A 32 32 ARG C C 32 177.277 176.187 1.090 1
1 298 . 16 1 1 A 32 32 ARG CA C 32 55.071 53.982 1.089 1
1 299 . 16 1 1 A 32 32 ARG CB C 32 29.854 33.648 -3.794 1
1 302 . 16 1 1 A 32 32 ARG N N 32 126.338 124.117 2.221 1
1 303 . 16 1 1 A 33 33 GLU H H 33 9.164 8.953 0.211 1
1 304 . 16 1 1 A 33 33 GLU HA H 33 3.766 3.919 -0.153 1
1 309 . 16 1 1 A 33 33 GLU C C 33 178.939 178.226 0.713 1
1 310 . 16 1 1 A 33 33 GLU CA C 33 60.097 59.171 0.926 1
1 311 . 16 1 1 A 33 33 GLU CB C 33 29.340 29.299 0.041 1
1 313 . 16 1 1 A 33 33 GLU N N 33 126.822 124.642 2.180 1
1 314 . 16 1 1 A 34 34 THR H H 34 7.785 7.996 -0.211 1
1 315 . 16 1 1 A 34 34 THR HA H 34 4.055 4.067 -0.012 1
1 320 . 16 1 1 A 34 34 THR C C 34 175.387 175.508 -0.121 1
1 321 . 16 1 1 A 34 34 THR CA C 34 63.631 64.957 -1.326 1
1 322 . 16 1 1 A 34 34 THR CB C 34 68.560 68.605 -0.045 1
1 324 . 16 1 1 A 34 34 THR N N 34 108.953 114.797 -5.844 1
1 325 . 16 1 1 A 35 35 ASP H H 35 7.841 8.135 -0.294 1
1 326 . 16 1 1 A 35 35 ASP HA H 35 4.928 4.452 0.476 1
1 329 . 16 1 1 A 35 35 ASP C C 35 175.827 177.700 -1.873 1
1 330 . 16 1 1 A 35 35 ASP CA C 35 55.169 55.112 0.057 1
1 331 . 16 1 1 A 35 35 ASP CB C 35 41.057 41.257 -0.200 1
1 332 . 16 1 1 A 35 35 ASP N N 35 119.019 121.765 -2.746 1
1 333 . 16 1 1 A 36 36 ILE H H 36 7.388 7.739 -0.351 1
1 334 . 16 1 1 A 36 36 ILE HA H 36 3.495 3.622 -0.127 1
1 344 . 16 1 1 A 36 36 ILE C C 36 174.161 175.189 -1.028 1
1 345 . 16 1 1 A 36 36 ILE CA C 36 67.912 66.284 1.628 1
1 346 . 16 1 1 A 36 36 ILE CB C 36 35.457 35.545 -0.088 1
1 350 . 16 1 1 A 36 36 ILE N N 36 119.567 121.205 -1.638 1
1 351 . 16 1 1 A 37 37 PRO HA H 37 4.232 4.263 -0.031 1
1 358 . 16 1 1 A 37 37 PRO C C 37 179.572 178.780 0.792 1
1 359 . 16 1 1 A 37 37 PRO CA C 37 66.890 65.736 1.154 1
1 360 . 16 1 1 A 37 37 PRO CB C 37 30.704 30.446 0.258 1
1 363 . 16 1 1 A 38 38 GLN H H 38 7.837 8.051 -0.214 1
1 364 . 16 1 1 A 38 38 GLN HA H 38 4.143 4.038 0.105 1
1 371 . 16 1 1 A 38 38 GLN C C 38 178.918 178.380 0.538 1
1 372 . 16 1 1 A 38 38 GLN CA C 38 59.171 58.870 0.301 1
1 373 . 16 1 1 A 38 38 GLN CB C 38 27.986 28.162 -0.176 1
1 375 . 16 1 1 A 38 38 GLN N N 38 117.627 117.432 0.195 1
1 377 . 16 1 1 A 39 39 LEU H H 39 7.991 8.185 -0.194 1
1 378 . 16 1 1 A 39 39 LEU HA H 39 3.995 3.984 0.011 1
1 388 . 16 1 1 A 39 39 LEU C C 39 180.831 178.643 2.188 1
1 389 . 16 1 1 A 39 39 LEU CA C 39 57.722 57.500 0.222 1
1 390 . 16 1 1 A 39 39 LEU CB C 39 42.314 41.482 0.832 1
1 394 . 16 1 1 A 39 39 LEU N N 39 121.128 119.887 1.241 1
1 395 . 16 1 1 A 40 40 SER H H 40 8.980 8.156 0.824 1
1 396 . 16 1 1 A 40 40 SER HA H 40 4.086 4.031 0.055 1
1 399 . 16 1 1 A 40 40 SER C C 40 176.517 176.858 -0.341 1
1 400 . 16 1 1 A 40 40 SER CA C 40 60.859 61.374 -0.515 1
1 401 . 16 1 1 A 40 40 SER CB C 40 63.255 63.131 0.124 1
1 402 . 16 1 1 A 40 40 SER N N 40 117.510 113.575 3.935 1
1 403 . 16 1 1 A 41 41 GLN H H 41 8.074 7.471 0.603 1
1 404 . 16 1 1 A 41 41 GLN HA H 41 4.014 4.077 -0.063 1
1 411 . 16 1 1 A 41 41 GLN C C 41 178.637 178.306 0.331 1
1 412 . 16 1 1 A 41 41 GLN CA C 41 58.955 58.177 0.778 1
1 413 . 16 1 1 A 41 41 GLN CB C 41 28.421 28.273 0.148 1
1 415 . 16 1 1 A 41 41 GLN N N 41 120.218 121.598 -1.380 1
1 417 . 16 1 1 A 42 42 ALA H H 42 8.149 7.968 0.181 1
1 418 . 16 1 1 A 42 42 ALA HA H 42 4.162 4.061 0.101 1
1 422 . 16 1 1 A 42 42 ALA C C 42 178.442 179.780 -1.338 1
1 423 . 16 1 1 A 42 42 ALA CA C 42 54.567 54.925 -0.358 1
1 424 . 16 1 1 A 42 42 ALA CB C 42 19.202 18.855 0.347 1
1 425 . 16 1 1 A 42 42 ALA N N 42 118.903 123.121 -4.218 1
1 426 . 16 1 1 A 43 43 SER H H 43 7.784 7.912 -0.128 1
1 427 . 16 1 1 A 43 43 SER HA H 43 4.851 4.589 0.262 1
1 430 . 16 1 1 A 43 43 SER C C 43 175.304 174.589 0.715 1
1 431 . 16 1 1 A 43 43 SER CA C 43 59.180 58.623 0.557 1
1 432 . 16 1 1 A 43 43 SER CB C 43 66.897 63.541 3.356 1
1 433 . 16 1 1 A 43 43 SER N N 43 109.522 111.046 -1.524 1
1 434 . 16 1 1 A 44 44 ARG H H 44 7.799 7.845 -0.046 1
1 435 . 16 1 1 A 44 44 ARG HA H 44 3.872 3.839 0.033 1
1 441 . 16 1 1 A 44 44 ARG C C 44 175.312 174.715 0.597 1
1 442 . 16 1 1 A 44 44 ARG CA C 44 58.582 57.386 1.196 1
1 443 . 16 1 1 A 44 44 ARG CB C 44 26.661 26.630 0.031 1
1 446 . 16 1 1 A 44 44 ARG N N 44 114.335 116.754 -2.419 1
1 447 . 16 1 1 A 45 45 LEU H H 45 7.759 7.658 0.101 1
1 448 . 16 1 1 A 45 45 LEU HA H 45 4.571 4.747 -0.176 1
1 458 . 16 1 1 A 45 45 LEU C C 45 177.069 176.915 0.154 1
1 459 . 16 1 1 A 45 45 LEU CA C 45 53.471 53.475 -0.004 1
1 460 . 16 1 1 A 45 45 LEU CB C 45 43.845 43.212 0.633 1
1 464 . 16 1 1 A 45 45 LEU N N 45 120.316 119.192 1.124 1
1 465 . 16 1 1 A 46 46 SER H H 46 9.062 8.727 0.335 1
1 466 . 16 1 1 A 46 46 SER HA H 46 4.446 4.831 -0.385 1
1 469 . 16 1 1 A 46 46 SER C C 46 174.731 176.163 -1.432 1
1 470 . 16 1 1 A 46 46 SER CA C 46 57.302 57.001 0.301 1
1 471 . 16 1 1 A 46 46 SER CB C 46 65.202 65.335 -0.133 1
1 472 . 16 1 1 A 46 46 SER N N 46 117.855 114.093 3.762 1
1 473 . 16 1 1 A 47 47 THR H H 47 8.770 8.788 -0.018 1
1 474 . 16 1 1 A 47 47 THR HA H 47 3.578 3.884 -0.306 1
1 479 . 16 1 1 A 47 47 THR C C 47 176.003 176.476 -0.473 1
1 480 . 16 1 1 A 47 47 THR CA C 47 67.477 65.740 1.737 1
1 481 . 16 1 1 A 47 47 THR CB C 47 68.317 68.708 -0.391 1
1 483 . 16 1 1 A 47 47 THR N N 47 115.428 117.279 -1.851 1
1 484 . 16 1 1 A 48 48 GLN H H 48 8.292 7.628 0.664 1
1 485 . 16 1 1 A 48 48 GLN HA H 48 3.890 4.045 -0.155 1
1 492 . 16 1 1 A 48 48 GLN C C 48 177.625 178.230 -0.605 1
1 493 . 16 1 1 A 48 48 GLN CA C 48 58.482 58.805 -0.323 1
1 494 . 16 1 1 A 48 48 GLN CB C 48 28.614 28.338 0.276 1
1 496 . 16 1 1 A 48 48 GLN N N 48 119.078 120.384 -1.306 1
1 498 . 16 1 1 A 49 49 GLN H H 49 7.765 8.023 -0.258 1
1 499 . 16 1 1 A 49 49 GLN HA H 49 4.153 3.961 0.192 1
1 506 . 16 1 1 A 49 49 GLN C C 49 180.153 178.812 1.341 1
1 507 . 16 1 1 A 49 49 GLN CA C 49 58.927 59.289 -0.362 1
1 508 . 16 1 1 A 49 49 GLN CB C 49 30.030 28.198 1.832 1
1 510 . 16 1 1 A 49 49 GLN N N 49 117.667 118.614 -0.947 1
1 512 . 16 1 1 A 50 50 VAL H H 50 8.465 7.649 0.816 1
1 513 . 16 1 1 A 50 50 VAL HA H 50 3.620 3.791 -0.171 1
1 521 . 16 1 1 A 50 50 VAL C C 50 177.691 178.390 -0.699 1
1 522 . 16 1 1 A 50 50 VAL CA C 50 67.588 66.302 1.286 1
1 523 . 16 1 1 A 50 50 VAL CB C 50 31.470 31.489 -0.019 1
1 526 . 16 1 1 A 50 50 VAL N N 50 122.227 119.973 2.254 1
1 527 . 16 1 1 A 51 51 LEU H H 51 8.119 8.191 -0.072 1
1 528 . 16 1 1 A 51 51 LEU HA H 51 3.975 3.958 0.017 1
1 538 . 16 1 1 A 51 51 LEU C C 51 179.950 179.084 0.866 1
1 539 . 16 1 1 A 51 51 LEU CA C 51 59.206 58.137 1.069 1
1 540 . 16 1 1 A 51 51 LEU CB C 51 41.515 41.014 0.501 1
1 544 . 16 1 1 A 51 51 LEU N N 51 120.724 120.260 0.464 1
1 545 . 16 1 1 A 52 52 ASP H H 52 8.780 8.003 0.777 1
1 546 . 16 1 1 A 52 52 ASP HA H 52 4.344 4.377 -0.033 1
1 549 . 16 1 1 A 52 52 ASP C C 52 178.654 178.528 0.126 1
1 550 . 16 1 1 A 52 52 ASP CA C 52 57.310 57.122 0.188 1
1 551 . 16 1 1 A 52 52 ASP CB C 52 40.418 40.485 -0.067 1
1 552 . 16 1 1 A 52 52 ASP N N 52 118.559 119.051 -0.492 1
1 553 . 16 1 1 A 53 53 TRP H H 53 8.180 8.098 0.082 1
1 554 . 16 1 1 A 53 53 TRP HA H 53 3.905 4.323 -0.418 1
1 563 . 16 1 1 A 53 53 TRP C C 53 180.216 178.196 2.020 1
1 564 . 16 1 1 A 53 53 TRP CA C 53 62.801 61.098 1.703 1
1 565 . 16 1 1 A 53 53 TRP CB C 53 29.117 30.652 -1.535 1
1 571 . 16 1 1 A 53 53 TRP N N 53 123.121 121.816 1.305 1
1 573 . 16 1 1 A 54 54 PHE H H 54 8.371 8.390 -0.019 1
1 574 . 16 1 1 A 54 54 PHE HA H 54 3.786 3.905 -0.119 1
1 582 . 16 1 1 A 54 54 PHE C C 54 178.605 177.646 0.959 1
1 583 . 16 1 1 A 54 54 PHE CA C 54 63.242 62.136 1.106 1
1 584 . 16 1 1 A 54 54 PHE CB C 54 39.446 38.613 0.833 1
1 590 . 16 1 1 A 54 54 PHE N N 54 117.319 117.579 -0.260 1
1 591 . 16 1 1 A 55 55 ASP H H 55 8.609 8.156 0.453 1
1 592 . 16 1 1 A 55 55 ASP HA H 55 4.499 4.415 0.084 1
1 595 . 16 1 1 A 55 55 ASP C C 55 177.993 178.483 -0.490 1
1 596 . 16 1 1 A 55 55 ASP CA C 55 57.370 57.458 -0.088 1
1 597 . 16 1 1 A 55 55 ASP CB C 55 41.096 42.102 -1.006 1
1 598 . 16 1 1 A 55 55 ASP N N 55 120.805 119.765 1.040 1
1 599 . 16 1 1 A 56 56 SER H H 56 7.450 8.009 -0.559 1
1 600 . 16 1 1 A 56 56 SER HA H 56 4.236 4.076 0.160 1
1 603 . 16 1 1 A 56 56 SER C C 56 174.228 177.151 -2.923 1
1 604 . 16 1 1 A 56 56 SER CA C 56 59.538 61.155 -1.617 1
1 605 . 16 1 1 A 56 56 SER CB C 56 63.340 62.962 0.378 1
1 606 . 16 1 1 A 56 56 SER N N 56 111.640 113.981 -2.341 1
1 607 . 16 1 1 A 57 57 ARG H H 57 7.061 7.385 -0.324 1
1 608 . 16 1 1 A 57 57 ARG HA H 57 3.803 3.868 -0.065 1
1 615 . 16 1 1 A 57 57 ARG C C 57 175.909 177.219 -1.310 1
1 616 . 16 1 1 A 57 57 ARG CA C 57 55.254 58.656 -3.402 1
1 617 . 16 1 1 A 57 57 ARG CB C 57 30.216 29.088 1.128 1
1 620 . 16 1 1 A 57 57 ARG N N 57 120.670 119.490 1.180 1
1 621 . 16 1 1 A 58 58 LEU H H 58 7.519 7.291 0.228 1
1 622 . 16 1 1 A 58 58 LEU HA H 58 4.611 4.523 0.088 1
1 632 . 16 1 1 A 58 58 LEU C C 58 174.867 176.734 -1.867 1
1 633 . 16 1 1 A 58 58 LEU CA C 58 53.322 54.159 -0.837 1
1 634 . 16 1 1 A 58 58 LEU CB C 58 41.891 41.258 0.633 1
1 638 . 16 1 1 A 58 58 LEU N N 58 122.146 121.184 0.962 1
1 639 . 16 1 1 A 59 59 PRO HA H 59 4.489 4.532 -0.043 1
1 645 . 16 1 1 A 59 59 PRO C C 59 176.849 176.386 0.463 1
1 646 . 16 1 1 A 59 59 PRO CA C 59 63.047 63.701 -0.654 1
1 647 . 16 1 1 A 59 59 PRO CB C 59 32.066 31.761 0.305 1
1 650 . 16 1 1 A 60 60 GLN H H 60 8.496 7.815 0.681 1
1 651 . 16 1 1 A 60 60 GLN HA H 60 4.595 4.542 0.053 1
1 658 . 16 1 1 A 60 60 GLN C C 60 174.178 174.087 0.091 1
1 659 . 16 1 1 A 60 60 GLN CA C 60 53.464 54.341 -0.877 1
1 660 . 16 1 1 A 60 60 GLN CB C 60 28.989 27.704 1.285 1
1 662 . 16 1 1 A 60 60 GLN N N 60 121.828 121.068 0.760 1
1 664 . 16 1 1 A 61 61 PRO HA H 61 4.397 4.725 -0.328 1
1 670 . 16 1 1 A 61 61 PRO C C 61 176.634 176.057 0.577 1
1 671 . 16 1 1 A 61 61 PRO CA C 61 63.150 62.840 0.310 1
1 672 . 16 1 1 A 61 61 PRO CB C 61 32.103 31.535 0.568 1
1 675 . 16 1 1 A 62 62 ALA H H 62 8.445 8.451 -0.006 1
1 676 . 16 1 1 A 62 62 ALA HA H 62 4.280 4.714 -0.434 1
1 680 . 16 1 1 A 62 62 ALA C C 62 177.871 175.975 1.896 1
1 681 . 16 1 1 A 62 62 ALA CA C 62 52.522 51.217 1.305 1
1 682 . 16 1 1 A 62 62 ALA CB C 62 19.309 22.933 -3.624 1
1 683 . 16 1 1 A 62 62 ALA N N 62 124.460 124.298 0.162 1
1 684 . 16 1 1 A 63 63 GLU H H 63 8.410 8.464 -0.054 1
1 685 . 16 1 1 A 63 63 GLU HA H 63 4.287 4.558 -0.271 1
1 689 . 16 1 1 A 63 63 GLU C C 63 176.521 175.422 1.099 1
1 690 . 16 1 1 A 63 63 GLU CA C 63 56.478 55.771 0.707 1
1 691 . 16 1 1 A 63 63 GLU CB C 63 30.371 30.765 -0.394 1
1 693 . 16 1 1 A 63 63 GLU N N 63 120.216 119.584 0.632 1
1 694 . 16 1 1 A 64 64 VAL H H 64 8.221 8.474 -0.253 1
1 695 . 16 1 1 A 64 64 VAL HA H 64 4.177 4.800 -0.623 1
1 703 . 16 1 1 A 64 64 VAL C C 64 176.179 175.953 0.226 1
1 704 . 16 1 1 A 64 64 VAL CA C 64 62.212 59.741 2.471 1
1 705 . 16 1 1 A 64 64 VAL CB C 64 32.875 35.390 -2.515 1
1 708 . 16 1 1 A 64 64 VAL N N 64 121.436 119.747 1.689 1
1 709 . 16 1 1 A 65 65 SER H H 65 8.421 8.930 -0.509 1
1 710 . 16 1 1 A 65 65 SER HA H 65 4.500 4.306 0.194 1
1 713 . 16 1 1 A 65 65 SER C C 65 174.560 174.355 0.205 1
1 714 . 16 1 1 A 65 65 SER CA C 65 58.411 60.679 -2.268 1
1 715 . 16 1 1 A 65 65 SER CB C 65 63.999 63.017 0.982 1
1 716 . 16 1 1 A 65 65 SER N N 65 119.752 122.223 -2.471 1
1 717 . 16 1 1 A 66 66 GLY H H 66 8.268 7.251 1.017 1
1 718 . 16 1 1 A 66 66 GLY HA2 H 66 4.065 4.048 0.017 1
1 719 . 16 1 1 A 66 66 GLY HA3 H 66 4.191 4.061 0.130 1
1 720 . 16 1 1 A 66 66 GLY C C 66 171.744 173.991 -2.247 1
1 721 . 16 1 1 A 66 66 GLY CA C 66 44.679 45.654 -0.975 1
1 722 . 16 1 1 A 66 66 GLY N N 66 110.950 105.548 5.402 1
1 723 . 16 1 1 A 67 67 PRO HA H 67 4.481 4.380 0.101 1
1 728 . 16 1 1 A 67 67 PRO C C 67 177.427 176.710 0.717 1
1 729 . 16 1 1 A 67 67 PRO CA C 67 63.264 63.600 -0.336 1
1 730 . 16 1 1 A 67 67 PRO CB C 67 32.200 31.828 0.372 1
1 733 . 16 1 1 A 68 68 SER H H 68 8.543 8.076 0.467 1
1 734 . 16 1 1 A 68 68 SER HA H 68 4.559 4.112 0.447 1
1 737 . 16 1 1 A 68 68 SER C C 68 174.726 173.444 1.282 1
1 738 . 16 1 1 A 68 68 SER CA C 68 58.368 58.962 -0.594 1
1 739 . 16 1 1 A 68 68 SER CB C 68 63.934 61.413 2.521 1
1 740 . 16 1 1 A 68 68 SER N N 68 116.507 113.145 3.362 1
1 741 . 16 1 1 A 69 69 SER H H 69 8.349 7.867 0.482 1
1 742 . 16 1 1 A 69 69 SER HA H 69 4.507 4.389 0.118 1
1 745 . 16 1 1 A 69 69 SER C C 69 173.960 174.835 -0.875 1
1 746 . 16 1 1 A 69 69 SER CA C 69 58.355 59.377 -1.022 1
1 747 . 16 1 1 A 69 69 SER CB C 69 63.993 63.461 0.532 1
1 748 . 16 1 1 A 69 69 SER N N 69 117.971 114.253 3.718 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.533 4.293 0.240 1
1 4 . 17 1 1 A 6 6 SER C C 6 174.513 175.106 -0.593 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.407 60.085 -1.678 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.873 63.186 0.687 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.204 8.419 -0.215 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 4.085 4.119 -0.034 1
1 9 . 17 1 1 A 7 7 GLY C C 7 171.507 173.581 -2.074 1
1 10 . 17 1 1 A 7 7 GLY CA C 7 44.598 44.466 0.132 1
1 11 . 17 1 1 A 7 7 GLY N N 7 110.772 111.247 -0.475 1
1 12 . 17 1 1 A 8 8 PRO HA H 8 4.421 4.593 -0.172 1
1 17 . 17 1 1 A 8 8 PRO C C 8 176.943 175.265 1.678 1
1 18 . 17 1 1 A 8 8 PRO CA C 8 62.917 62.579 0.338 1
1 19 . 17 1 1 A 8 8 PRO CB C 8 32.101 33.331 -1.230 1
1 22 . 17 1 1 A 9 9 LEU H H 9 8.334 8.272 0.062 1
1 23 . 17 1 1 A 9 9 LEU HA H 9 4.584 4.894 -0.310 1
1 33 . 17 1 1 A 9 9 LEU C C 9 175.412 174.507 0.905 1
1 34 . 17 1 1 A 9 9 LEU CA C 9 53.030 52.171 0.859 1
1 35 . 17 1 1 A 9 9 LEU CB C 9 41.804 43.671 -1.867 1
1 39 . 17 1 1 A 9 9 LEU N N 9 123.997 121.638 2.359 1
1 40 . 17 1 1 A 10 10 PRO HA H 10 4.425 4.619 -0.194 1
1 46 . 17 1 1 A 10 10 PRO C C 10 176.530 176.903 -0.373 1
1 47 . 17 1 1 A 10 10 PRO CA C 10 62.801 62.151 0.650 1
1 48 . 17 1 1 A 10 10 PRO CB C 10 31.871 32.840 -0.969 1
1 51 . 17 1 1 A 11 11 ILE H H 11 8.216 8.327 -0.111 1
1 52 . 17 1 1 A 11 11 ILE HA H 11 4.429 4.245 0.184 1
1 62 . 17 1 1 A 11 11 ILE C C 11 174.437 175.395 -0.958 1
1 63 . 17 1 1 A 11 11 ILE CA C 11 58.548 60.193 -1.645 1
1 64 . 17 1 1 A 11 11 ILE CB C 11 38.746 37.901 0.845 1
1 68 . 17 1 1 A 11 11 ILE N N 11 123.082 119.751 3.331 1
1 72 . 17 1 1 A 16 16 PRO HA H 16 4.575 4.547 0.028 1
1 78 . 17 1 1 A 16 16 PRO C C 16 175.885 175.114 0.771 1
1 79 . 17 1 1 A 16 16 PRO CA C 16 63.146 62.642 0.504 1
1 80 . 17 1 1 A 16 16 PRO CB C 16 32.894 32.349 0.545 1
1 83 . 17 1 1 A 17 17 ASP H H 17 8.822 8.585 0.237 1
1 84 . 17 1 1 A 17 17 ASP HA H 17 4.832 4.839 -0.007 1
1 87 . 17 1 1 A 17 17 ASP C C 17 174.878 175.944 -1.066 1
1 88 . 17 1 1 A 17 17 ASP CA C 17 52.473 53.496 -1.023 1
1 89 . 17 1 1 A 17 17 ASP CB C 17 42.755 41.329 1.426 1
1 90 . 17 1 1 A 17 17 ASP N N 17 121.885 120.863 1.022 1
1 91 . 17 1 1 A 18 18 ILE H H 18 8.259 8.487 -0.228 1
1 92 . 17 1 1 A 18 18 ILE HA H 18 3.889 3.876 0.013 1
1 102 . 17 1 1 A 18 18 ILE C C 18 178.346 177.214 1.132 1
1 103 . 17 1 1 A 18 18 ILE CA C 18 59.806 62.065 -2.259 1
1 104 . 17 1 1 A 18 18 ILE CB C 18 38.247 38.240 0.007 1
1 108 . 17 1 1 A 18 18 ILE N N 18 118.184 125.547 -7.363 1
1 109 . 17 1 1 A 19 19 GLN H H 19 8.404 8.106 0.298 1
1 110 . 17 1 1 A 19 19 GLN HA H 19 4.199 4.077 0.122 1
1 117 . 17 1 1 A 19 19 GLN C C 19 175.287 174.264 1.023 1
1 118 . 17 1 1 A 19 19 GLN CA C 19 60.889 60.803 0.086 1
1 119 . 17 1 1 A 19 19 GLN CB C 19 26.552 26.720 -0.168 1
1 121 . 17 1 1 A 19 19 GLN N N 19 123.230 122.048 1.182 1
1 123 . 17 1 1 A 20 20 PRO HA H 20 4.217 4.256 -0.039 1
1 130 . 17 1 1 A 20 20 PRO C C 20 179.677 179.646 0.031 1
1 131 . 17 1 1 A 20 20 PRO CA C 20 65.855 66.378 -0.523 1
1 132 . 17 1 1 A 20 20 PRO CB C 20 31.439 30.621 0.818 1
1 135 . 17 1 1 A 21 21 LEU H H 21 7.026 7.222 -0.196 1
1 136 . 17 1 1 A 21 21 LEU HA H 21 3.885 4.110 -0.225 1
1 146 . 17 1 1 A 21 21 LEU C C 21 177.599 178.488 -0.889 1
1 147 . 17 1 1 A 21 21 LEU CA C 21 58.435 57.386 1.049 1
1 148 . 17 1 1 A 21 21 LEU CB C 21 37.236 40.836 -3.600 1
1 152 . 17 1 1 A 21 21 LEU N N 21 116.369 116.949 -0.580 1
1 153 . 17 1 1 A 22 22 GLU H H 22 7.611 8.476 -0.865 1
1 154 . 17 1 1 A 22 22 GLU HA H 22 4.309 4.120 0.189 1
1 159 . 17 1 1 A 22 22 GLU C C 22 180.755 179.469 1.286 1
1 160 . 17 1 1 A 22 22 GLU CA C 22 59.887 59.895 -0.008 1
1 161 . 17 1 1 A 22 22 GLU CB C 22 29.715 29.361 0.354 1
1 163 . 17 1 1 A 22 22 GLU N N 22 119.345 118.832 0.513 1
1 164 . 17 1 1 A 23 23 ARG H H 23 8.662 8.175 0.487 1
1 165 . 17 1 1 A 23 23 ARG HA H 23 4.143 4.086 0.057 1
1 172 . 17 1 1 A 23 23 ARG C C 23 179.115 178.846 0.269 1
1 173 . 17 1 1 A 23 23 ARG CA C 23 59.453 59.367 0.086 1
1 174 . 17 1 1 A 23 23 ARG CB C 23 30.628 30.460 0.168 1
1 177 . 17 1 1 A 23 23 ARG N N 23 119.060 119.084 -0.024 1
1 178 . 17 1 1 A 24 24 TYR H H 24 7.798 7.916 -0.118 1
1 179 . 17 1 1 A 24 24 TYR HA H 24 4.349 4.282 0.067 1
1 186 . 17 1 1 A 24 24 TYR C C 24 178.627 177.567 1.060 1
1 187 . 17 1 1 A 24 24 TYR CA C 24 61.883 61.564 0.319 1
1 188 . 17 1 1 A 24 24 TYR CB C 24 39.326 38.651 0.675 1
1 193 . 17 1 1 A 24 24 TYR N N 24 122.046 120.710 1.336 1
1 194 . 17 1 1 A 25 25 TRP H H 25 9.612 8.580 1.032 1
1 195 . 17 1 1 A 25 25 TRP HA H 25 4.680 4.455 0.225 1
1 204 . 17 1 1 A 25 25 TRP C C 25 178.218 178.829 -0.611 1
1 205 . 17 1 1 A 25 25 TRP CA C 25 60.775 61.243 -0.468 1
1 206 . 17 1 1 A 25 25 TRP CB C 25 29.956 29.777 0.179 1
1 212 . 17 1 1 A 25 25 TRP N N 25 121.351 121.654 -0.303 1
1 214 . 17 1 1 A 26 26 ALA H H 26 8.336 8.019 0.317 1
1 215 . 17 1 1 A 26 26 ALA HA H 26 3.911 3.902 0.009 1
1 219 . 17 1 1 A 26 26 ALA C C 26 178.850 178.723 0.127 1
1 220 . 17 1 1 A 26 26 ALA CA C 26 54.720 53.246 1.474 1
1 221 . 17 1 1 A 26 26 ALA CB C 26 18.147 18.182 -0.035 1
1 222 . 17 1 1 A 26 26 ALA N N 26 118.991 121.083 -2.092 1
1 223 . 17 1 1 A 27 27 ALA H H 27 7.261 7.425 -0.164 1
1 224 . 17 1 1 A 27 27 ALA HA H 27 4.071 4.109 -0.038 1
1 228 . 17 1 1 A 27 27 ALA C C 27 178.433 179.095 -0.662 1
1 229 . 17 1 1 A 27 27 ALA CA C 27 53.440 54.374 -0.934 1
1 230 . 17 1 1 A 27 27 ALA CB C 27 18.789 19.231 -0.442 1
1 231 . 17 1 1 A 27 27 ALA N N 27 116.928 120.117 -3.189 1
1 232 . 17 1 1 A 28 28 HIS H H 28 7.810 7.900 -0.090 1
1 233 . 17 1 1 A 28 28 HIS HA H 28 4.574 4.504 0.070 1
1 238 . 17 1 1 A 28 28 HIS C C 28 175.351 174.539 0.812 1
1 239 . 17 1 1 A 28 28 HIS CA C 28 56.709 56.279 0.430 1
1 240 . 17 1 1 A 28 28 HIS CB C 28 31.928 30.713 1.215 1
1 243 . 17 1 1 A 28 28 HIS N N 28 113.337 111.635 1.702 1
1 244 . 17 1 1 A 29 29 GLN H H 29 8.811 7.751 1.060 1
1 245 . 17 1 1 A 29 29 GLN HA H 29 2.344 3.509 -1.165 1
1 251 . 17 1 1 A 29 29 GLN C C 29 173.677 174.287 -0.610 1
1 252 . 17 1 1 A 29 29 GLN CA C 29 57.111 56.662 0.449 1
1 253 . 17 1 1 A 29 29 GLN CB C 29 26.795 25.855 0.940 1
1 255 . 17 1 1 A 29 29 GLN N N 29 115.607 115.651 -0.044 1
1 257 . 17 1 1 A 30 30 GLN H H 30 7.465 7.673 -0.208 1
1 258 . 17 1 1 A 30 30 GLN HA H 30 4.607 4.963 -0.356 1
1 265 . 17 1 1 A 30 30 GLN C C 30 173.052 173.594 -0.542 1
1 266 . 17 1 1 A 30 30 GLN CA C 30 54.807 54.911 -0.104 1
1 267 . 17 1 1 A 30 30 GLN CB C 30 30.766 31.766 -1.000 1
1 269 . 17 1 1 A 30 30 GLN N N 30 112.695 114.077 -1.382 1
1 271 . 17 1 1 A 31 31 LEU H H 31 8.805 8.961 -0.156 1
1 272 . 17 1 1 A 31 31 LEU HA H 31 4.440 4.994 -0.554 1
1 282 . 17 1 1 A 31 31 LEU C C 31 176.017 174.844 1.173 1
1 283 . 17 1 1 A 31 31 LEU CA C 31 54.608 54.314 0.294 1
1 284 . 17 1 1 A 31 31 LEU CB C 31 42.819 43.858 -1.039 1
1 288 . 17 1 1 A 31 31 LEU N N 31 121.685 126.931 -5.246 1
1 289 . 17 1 1 A 32 32 ARG H H 32 7.422 8.843 -1.421 1
1 290 . 17 1 1 A 32 32 ARG HA H 32 4.574 4.651 -0.077 1
1 297 . 17 1 1 A 32 32 ARG C C 32 177.277 176.606 0.671 1
1 298 . 17 1 1 A 32 32 ARG CA C 32 55.071 54.335 0.736 1
1 299 . 17 1 1 A 32 32 ARG CB C 32 29.854 32.666 -2.812 1
1 302 . 17 1 1 A 32 32 ARG N N 32 126.338 126.012 0.326 1
1 303 . 17 1 1 A 33 33 GLU H H 33 9.164 9.173 -0.009 1
1 304 . 17 1 1 A 33 33 GLU HA H 33 3.766 3.899 -0.133 1
1 309 . 17 1 1 A 33 33 GLU C C 33 178.939 177.326 1.613 1
1 310 . 17 1 1 A 33 33 GLU CA C 33 60.097 59.186 0.911 1
1 311 . 17 1 1 A 33 33 GLU CB C 33 29.340 29.286 0.054 1
1 313 . 17 1 1 A 33 33 GLU N N 33 126.822 124.737 2.085 1
1 314 . 17 1 1 A 34 34 THR H H 34 7.785 7.947 -0.162 1
1 315 . 17 1 1 A 34 34 THR HA H 34 4.055 3.998 0.057 1
1 320 . 17 1 1 A 34 34 THR C C 34 175.387 176.266 -0.879 1
1 321 . 17 1 1 A 34 34 THR CA C 34 63.631 64.711 -1.080 1
1 322 . 17 1 1 A 34 34 THR CB C 34 68.560 68.856 -0.296 1
1 324 . 17 1 1 A 34 34 THR N N 34 108.953 114.219 -5.266 1
1 325 . 17 1 1 A 35 35 ASP H H 35 7.841 7.881 -0.040 1
1 326 . 17 1 1 A 35 35 ASP HA H 35 4.928 4.523 0.405 1
1 329 . 17 1 1 A 35 35 ASP C C 35 175.827 178.388 -2.561 1
1 330 . 17 1 1 A 35 35 ASP CA C 35 55.169 55.300 -0.131 1
1 331 . 17 1 1 A 35 35 ASP CB C 35 41.057 41.059 -0.002 1
1 332 . 17 1 1 A 35 35 ASP N N 35 119.019 120.896 -1.877 1
1 333 . 17 1 1 A 36 36 ILE H H 36 7.388 7.962 -0.574 1
1 334 . 17 1 1 A 36 36 ILE HA H 36 3.495 3.613 -0.118 1
1 344 . 17 1 1 A 36 36 ILE C C 36 174.161 175.223 -1.062 1
1 345 . 17 1 1 A 36 36 ILE CA C 36 67.912 66.368 1.544 1
1 346 . 17 1 1 A 36 36 ILE CB C 36 35.457 35.766 -0.309 1
1 350 . 17 1 1 A 36 36 ILE N N 36 119.567 119.395 0.172 1
1 351 . 17 1 1 A 37 37 PRO HA H 37 4.232 4.314 -0.082 1
1 358 . 17 1 1 A 37 37 PRO C C 37 179.572 178.724 0.848 1
1 359 . 17 1 1 A 37 37 PRO CA C 37 66.890 65.203 1.687 1
1 360 . 17 1 1 A 37 37 PRO CB C 37 30.704 30.990 -0.286 1
1 363 . 17 1 1 A 38 38 GLN H H 38 7.837 8.107 -0.270 1
1 364 . 17 1 1 A 38 38 GLN HA H 38 4.143 4.062 0.081 1
1 371 . 17 1 1 A 38 38 GLN C C 38 178.918 178.169 0.749 1
1 372 . 17 1 1 A 38 38 GLN CA C 38 59.171 58.895 0.276 1
1 373 . 17 1 1 A 38 38 GLN CB C 38 27.986 28.399 -0.413 1
1 375 . 17 1 1 A 38 38 GLN N N 38 117.627 117.515 0.112 1
1 377 . 17 1 1 A 39 39 LEU H H 39 7.991 8.346 -0.355 1
1 378 . 17 1 1 A 39 39 LEU HA H 39 3.995 3.996 -0.001 1
1 388 . 17 1 1 A 39 39 LEU C C 39 180.831 178.679 2.152 1
1 389 . 17 1 1 A 39 39 LEU CA C 39 57.722 57.541 0.181 1
1 390 . 17 1 1 A 39 39 LEU CB C 39 42.314 41.428 0.886 1
1 394 . 17 1 1 A 39 39 LEU N N 39 121.128 119.596 1.532 1
1 395 . 17 1 1 A 40 40 SER H H 40 8.980 8.073 0.907 1
1 396 . 17 1 1 A 40 40 SER HA H 40 4.086 3.976 0.110 1
1 399 . 17 1 1 A 40 40 SER C C 40 176.517 177.194 -0.677 1
1 400 . 17 1 1 A 40 40 SER CA C 40 60.859 61.491 -0.632 1
1 401 . 17 1 1 A 40 40 SER CB C 40 63.255 62.725 0.530 1
1 402 . 17 1 1 A 40 40 SER N N 40 117.510 113.811 3.699 1
1 403 . 17 1 1 A 41 41 GLN H H 41 8.074 7.581 0.493 1
1 404 . 17 1 1 A 41 41 GLN HA H 41 4.014 4.065 -0.051 1
1 411 . 17 1 1 A 41 41 GLN C C 41 178.637 178.168 0.469 1
1 412 . 17 1 1 A 41 41 GLN CA C 41 58.955 58.541 0.414 1
1 413 . 17 1 1 A 41 41 GLN CB C 41 28.421 28.219 0.202 1
1 415 . 17 1 1 A 41 41 GLN N N 41 120.218 121.470 -1.252 1
1 417 . 17 1 1 A 42 42 ALA H H 42 8.149 7.855 0.294 1
1 418 . 17 1 1 A 42 42 ALA HA H 42 4.162 4.193 -0.031 1
1 422 . 17 1 1 A 42 42 ALA C C 42 178.442 179.380 -0.938 1
1 423 . 17 1 1 A 42 42 ALA CA C 42 54.567 54.772 -0.205 1
1 424 . 17 1 1 A 42 42 ALA CB C 42 19.202 18.486 0.716 1
1 425 . 17 1 1 A 42 42 ALA N N 42 118.903 122.283 -3.380 1
1 426 . 17 1 1 A 43 43 SER H H 43 7.784 8.047 -0.263 1
1 427 . 17 1 1 A 43 43 SER HA H 43 4.851 4.838 0.013 1
1 430 . 17 1 1 A 43 43 SER C C 43 175.304 173.110 2.194 1
1 431 . 17 1 1 A 43 43 SER CA C 43 59.180 58.065 1.115 1
1 432 . 17 1 1 A 43 43 SER CB C 43 66.897 63.114 3.783 1
1 433 . 17 1 1 A 43 43 SER N N 43 109.522 112.539 -3.017 1
1 434 . 17 1 1 A 44 44 ARG H H 44 7.799 7.488 0.311 1
1 435 . 17 1 1 A 44 44 ARG HA H 44 3.872 3.887 -0.015 1
1 441 . 17 1 1 A 44 44 ARG C C 44 175.312 174.541 0.771 1
1 442 . 17 1 1 A 44 44 ARG CA C 44 58.582 57.312 1.270 1
1 443 . 17 1 1 A 44 44 ARG CB C 44 26.661 26.781 -0.120 1
1 446 . 17 1 1 A 44 44 ARG N N 44 114.335 117.610 -3.275 1
1 447 . 17 1 1 A 45 45 LEU H H 45 7.759 7.541 0.218 1
1 448 . 17 1 1 A 45 45 LEU HA H 45 4.571 4.879 -0.308 1
1 458 . 17 1 1 A 45 45 LEU C C 45 177.069 176.902 0.167 1
1 459 . 17 1 1 A 45 45 LEU CA C 45 53.471 53.235 0.236 1
1 460 . 17 1 1 A 45 45 LEU CB C 45 43.845 44.411 -0.566 1
1 464 . 17 1 1 A 45 45 LEU N N 45 120.316 118.893 1.423 1
1 465 . 17 1 1 A 46 46 SER H H 46 9.062 8.754 0.308 1
1 466 . 17 1 1 A 46 46 SER HA H 46 4.446 4.835 -0.389 1
1 469 . 17 1 1 A 46 46 SER C C 46 174.731 176.176 -1.445 1
1 470 . 17 1 1 A 46 46 SER CA C 46 57.302 56.855 0.447 1
1 471 . 17 1 1 A 46 46 SER CB C 46 65.202 65.593 -0.391 1
1 472 . 17 1 1 A 46 46 SER N N 46 117.855 114.817 3.038 1
1 473 . 17 1 1 A 47 47 THR H H 47 8.770 8.762 0.008 1
1 474 . 17 1 1 A 47 47 THR HA H 47 3.578 3.868 -0.290 1
1 479 . 17 1 1 A 47 47 THR C C 47 176.003 176.443 -0.440 1
1 480 . 17 1 1 A 47 47 THR CA C 47 67.477 65.631 1.846 1
1 481 . 17 1 1 A 47 47 THR CB C 47 68.317 68.695 -0.378 1
1 483 . 17 1 1 A 47 47 THR N N 47 115.428 117.798 -2.370 1
1 484 . 17 1 1 A 48 48 GLN H H 48 8.292 7.672 0.620 1
1 485 . 17 1 1 A 48 48 GLN HA H 48 3.890 4.070 -0.180 1
1 492 . 17 1 1 A 48 48 GLN C C 48 177.625 178.521 -0.896 1
1 493 . 17 1 1 A 48 48 GLN CA C 48 58.482 58.625 -0.143 1
1 494 . 17 1 1 A 48 48 GLN CB C 48 28.614 28.197 0.417 1
1 496 . 17 1 1 A 48 48 GLN N N 48 119.078 120.630 -1.552 1
1 498 . 17 1 1 A 49 49 GLN H H 49 7.765 8.064 -0.299 1
1 499 . 17 1 1 A 49 49 GLN HA H 49 4.153 4.005 0.148 1
1 506 . 17 1 1 A 49 49 GLN C C 49 180.153 178.771 1.382 1
1 507 . 17 1 1 A 49 49 GLN CA C 49 58.927 59.255 -0.328 1
1 508 . 17 1 1 A 49 49 GLN CB C 49 30.030 28.333 1.697 1
1 510 . 17 1 1 A 49 49 GLN N N 49 117.667 119.284 -1.617 1
1 512 . 17 1 1 A 50 50 VAL H H 50 8.465 7.722 0.743 1
1 513 . 17 1 1 A 50 50 VAL HA H 50 3.620 3.735 -0.115 1
1 521 . 17 1 1 A 50 50 VAL C C 50 177.691 178.330 -0.639 1
1 522 . 17 1 1 A 50 50 VAL CA C 50 67.588 66.302 1.286 1
1 523 . 17 1 1 A 50 50 VAL CB C 50 31.470 31.321 0.149 1
1 526 . 17 1 1 A 50 50 VAL N N 50 122.227 119.878 2.349 1
1 527 . 17 1 1 A 51 51 LEU H H 51 8.119 8.212 -0.093 1
1 528 . 17 1 1 A 51 51 LEU HA H 51 3.975 3.942 0.033 1
1 538 . 17 1 1 A 51 51 LEU C C 51 179.950 179.232 0.718 1
1 539 . 17 1 1 A 51 51 LEU CA C 51 59.206 58.131 1.075 1
1 540 . 17 1 1 A 51 51 LEU CB C 51 41.515 41.037 0.478 1
1 544 . 17 1 1 A 51 51 LEU N N 51 120.724 120.163 0.561 1
1 545 . 17 1 1 A 52 52 ASP H H 52 8.780 7.953 0.827 1
1 546 . 17 1 1 A 52 52 ASP HA H 52 4.344 4.393 -0.049 1
1 549 . 17 1 1 A 52 52 ASP C C 52 178.654 178.518 0.136 1
1 550 . 17 1 1 A 52 52 ASP CA C 52 57.310 57.139 0.171 1
1 551 . 17 1 1 A 52 52 ASP CB C 52 40.418 40.581 -0.163 1
1 552 . 17 1 1 A 52 52 ASP N N 52 118.559 119.071 -0.512 1
1 553 . 17 1 1 A 53 53 TRP H H 53 8.180 8.315 -0.135 1
1 554 . 17 1 1 A 53 53 TRP HA H 53 3.905 4.372 -0.467 1
1 563 . 17 1 1 A 53 53 TRP C C 53 180.216 178.423 1.793 1
1 564 . 17 1 1 A 53 53 TRP CA C 53 62.801 61.085 1.716 1
1 565 . 17 1 1 A 53 53 TRP CB C 53 29.117 29.953 -0.836 1
1 571 . 17 1 1 A 53 53 TRP N N 53 123.121 121.793 1.328 1
1 573 . 17 1 1 A 54 54 PHE H H 54 8.371 8.333 0.038 1
1 574 . 17 1 1 A 54 54 PHE HA H 54 3.786 3.942 -0.156 1
1 582 . 17 1 1 A 54 54 PHE C C 54 178.605 177.569 1.036 1
1 583 . 17 1 1 A 54 54 PHE CA C 54 63.242 61.817 1.425 1
1 584 . 17 1 1 A 54 54 PHE CB C 54 39.446 38.427 1.019 1
1 590 . 17 1 1 A 54 54 PHE N N 54 117.319 117.770 -0.451 1
1 591 . 17 1 1 A 55 55 ASP H H 55 8.609 8.042 0.567 1
1 592 . 17 1 1 A 55 55 ASP HA H 55 4.499 4.378 0.121 1
1 595 . 17 1 1 A 55 55 ASP C C 55 177.993 178.469 -0.476 1
1 596 . 17 1 1 A 55 55 ASP CA C 55 57.370 57.380 -0.010 1
1 597 . 17 1 1 A 55 55 ASP CB C 55 41.096 41.917 -0.821 1
1 598 . 17 1 1 A 55 55 ASP N N 55 120.805 119.709 1.096 1
1 599 . 17 1 1 A 56 56 SER H H 56 7.450 8.109 -0.659 1
1 600 . 17 1 1 A 56 56 SER HA H 56 4.236 4.013 0.223 1
1 603 . 17 1 1 A 56 56 SER C C 56 174.228 176.704 -2.476 1
1 604 . 17 1 1 A 56 56 SER CA C 56 59.538 61.543 -2.005 1
1 605 . 17 1 1 A 56 56 SER CB C 56 63.340 62.665 0.675 1
1 606 . 17 1 1 A 56 56 SER N N 56 111.640 116.364 -4.724 1
1 607 . 17 1 1 A 57 57 ARG H H 57 7.061 7.442 -0.381 1
1 608 . 17 1 1 A 57 57 ARG HA H 57 3.803 3.885 -0.082 1
1 615 . 17 1 1 A 57 57 ARG C C 57 175.909 177.246 -1.337 1
1 616 . 17 1 1 A 57 57 ARG CA C 57 55.254 58.498 -3.244 1
1 617 . 17 1 1 A 57 57 ARG CB C 57 30.216 29.339 0.877 1
1 620 . 17 1 1 A 57 57 ARG N N 57 120.670 119.057 1.613 1
1 621 . 17 1 1 A 58 58 LEU H H 58 7.519 7.375 0.144 1
1 622 . 17 1 1 A 58 58 LEU HA H 58 4.611 4.489 0.122 1
1 632 . 17 1 1 A 58 58 LEU C C 58 174.867 176.793 -1.926 1
1 633 . 17 1 1 A 58 58 LEU CA C 58 53.322 54.101 -0.779 1
1 634 . 17 1 1 A 58 58 LEU CB C 58 41.891 41.308 0.583 1
1 638 . 17 1 1 A 58 58 LEU N N 58 122.146 121.131 1.015 1
1 639 . 17 1 1 A 59 59 PRO HA H 59 4.489 4.528 -0.039 1
1 645 . 17 1 1 A 59 59 PRO C C 59 176.849 175.892 0.957 1
1 646 . 17 1 1 A 59 59 PRO CA C 59 63.047 63.721 -0.674 1
1 647 . 17 1 1 A 59 59 PRO CB C 59 32.066 31.686 0.380 1
1 650 . 17 1 1 A 60 60 GLN H H 60 8.496 7.859 0.637 1
1 651 . 17 1 1 A 60 60 GLN HA H 60 4.595 4.477 0.118 1
1 658 . 17 1 1 A 60 60 GLN C C 60 174.178 174.610 -0.432 1
1 659 . 17 1 1 A 60 60 GLN CA C 60 53.464 53.843 -0.379 1
1 660 . 17 1 1 A 60 60 GLN CB C 60 28.989 29.780 -0.791 1
1 662 . 17 1 1 A 60 60 GLN N N 60 121.828 121.197 0.631 1
1 664 . 17 1 1 A 61 61 PRO HA H 61 4.397 4.656 -0.259 1
1 670 . 17 1 1 A 61 61 PRO C C 61 176.634 175.843 0.791 1
1 671 . 17 1 1 A 61 61 PRO CA C 61 63.150 62.854 0.296 1
1 672 . 17 1 1 A 61 61 PRO CB C 61 32.103 31.687 0.416 1
1 675 . 17 1 1 A 62 62 ALA H H 62 8.445 8.567 -0.122 1
1 676 . 17 1 1 A 62 62 ALA HA H 62 4.280 4.900 -0.620 1
1 680 . 17 1 1 A 62 62 ALA C C 62 177.871 176.863 1.008 1
1 681 . 17 1 1 A 62 62 ALA CA C 62 52.522 50.793 1.729 1
1 682 . 17 1 1 A 62 62 ALA CB C 62 19.309 21.595 -2.286 1
1 683 . 17 1 1 A 62 62 ALA N N 62 124.460 126.239 -1.779 1
1 684 . 17 1 1 A 63 63 GLU H H 63 8.410 8.707 -0.297 1
1 685 . 17 1 1 A 63 63 GLU HA H 63 4.287 4.614 -0.327 1
1 689 . 17 1 1 A 63 63 GLU C C 63 176.521 175.780 0.741 1
1 690 . 17 1 1 A 63 63 GLU CA C 63 56.478 55.711 0.767 1
1 691 . 17 1 1 A 63 63 GLU CB C 63 30.371 29.897 0.474 1
1 693 . 17 1 1 A 63 63 GLU N N 63 120.216 122.407 -2.191 1
1 694 . 17 1 1 A 64 64 VAL H H 64 8.221 7.526 0.695 1
1 695 . 17 1 1 A 64 64 VAL HA H 64 4.177 4.486 -0.309 1
1 703 . 17 1 1 A 64 64 VAL C C 64 176.179 175.129 1.050 1
1 704 . 17 1 1 A 64 64 VAL CA C 64 62.212 59.913 2.299 1
1 705 . 17 1 1 A 64 64 VAL CB C 64 32.875 34.709 -1.834 1
1 708 . 17 1 1 A 64 64 VAL N N 64 121.436 118.768 2.668 1
1 709 . 17 1 1 A 65 65 SER H H 65 8.421 8.785 -0.364 1
1 710 . 17 1 1 A 65 65 SER HA H 65 4.500 4.698 -0.198 1
1 713 . 17 1 1 A 65 65 SER C C 65 174.560 175.029 -0.469 1
1 714 . 17 1 1 A 65 65 SER CA C 65 58.411 59.288 -0.877 1
1 715 . 17 1 1 A 65 65 SER CB C 65 63.999 64.868 -0.869 1
1 716 . 17 1 1 A 65 65 SER N N 65 119.752 116.172 3.580 1
1 717 . 17 1 1 A 66 66 GLY H H 66 8.268 8.096 0.172 1
1 718 . 17 1 1 A 66 66 GLY HA2 H 66 4.065 3.915 0.150 1
1 719 . 17 1 1 A 66 66 GLY HA3 H 66 4.191 3.921 0.270 1
1 720 . 17 1 1 A 66 66 GLY C C 66 171.744 174.318 -2.574 1
1 721 . 17 1 1 A 66 66 GLY CA C 66 44.679 46.874 -2.195 1
1 722 . 17 1 1 A 66 66 GLY N N 66 110.950 108.683 2.267 1
1 723 . 17 1 1 A 67 67 PRO HA H 67 4.481 4.494 -0.013 1
1 728 . 17 1 1 A 67 67 PRO C C 67 177.427 176.430 0.997 1
1 729 . 17 1 1 A 67 67 PRO CA C 67 63.264 62.933 0.331 1
1 730 . 17 1 1 A 67 67 PRO CB C 67 32.200 31.865 0.335 1
1 733 . 17 1 1 A 68 68 SER H H 68 8.543 8.608 -0.065 1
1 734 . 17 1 1 A 68 68 SER HA H 68 4.559 4.923 -0.364 1
1 737 . 17 1 1 A 68 68 SER C C 68 174.726 173.322 1.404 1
1 738 . 17 1 1 A 68 68 SER CA C 68 58.368 57.991 0.377 1
1 739 . 17 1 1 A 68 68 SER CB C 68 63.934 64.271 -0.337 1
1 740 . 17 1 1 A 68 68 SER N N 68 116.507 118.028 -1.521 1
1 741 . 17 1 1 A 69 69 SER H H 69 8.349 8.705 -0.356 1
1 742 . 17 1 1 A 69 69 SER HA H 69 4.507 5.142 -0.635 1
1 745 . 17 1 1 A 69 69 SER C C 69 173.960 173.170 0.790 1
1 746 . 17 1 1 A 69 69 SER CA C 69 58.355 57.102 1.253 1
1 747 . 17 1 1 A 69 69 SER CB C 69 63.993 65.838 -1.845 1
1 748 . 17 1 1 A 69 69 SER N N 69 117.971 120.849 -2.878 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.533 5.022 -0.489 1
1 4 . 18 1 1 A 6 6 SER C C 6 174.513 174.955 -0.442 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.407 57.220 1.187 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.873 65.963 -2.090 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.204 8.446 -0.242 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 4.085 3.973 0.112 1
1 9 . 18 1 1 A 7 7 GLY C C 7 171.507 173.882 -2.375 1
1 10 . 18 1 1 A 7 7 GLY CA C 7 44.598 45.243 -0.645 1
1 11 . 18 1 1 A 7 7 GLY N N 7 110.772 110.326 0.446 1
1 12 . 18 1 1 A 8 8 PRO HA H 8 4.421 4.491 -0.070 1
1 17 . 18 1 1 A 8 8 PRO C C 8 176.943 176.843 0.100 1
1 18 . 18 1 1 A 8 8 PRO CA C 8 62.917 62.565 0.352 1
1 19 . 18 1 1 A 8 8 PRO CB C 8 32.101 32.579 -0.478 1
1 22 . 18 1 1 A 9 9 LEU H H 9 8.334 8.294 0.040 1
1 23 . 18 1 1 A 9 9 LEU HA H 9 4.584 4.428 0.156 1
1 33 . 18 1 1 A 9 9 LEU C C 9 175.412 176.208 -0.796 1
1 34 . 18 1 1 A 9 9 LEU CA C 9 53.030 53.599 -0.569 1
1 35 . 18 1 1 A 9 9 LEU CB C 9 41.804 42.185 -0.381 1
1 39 . 18 1 1 A 9 9 LEU N N 9 123.997 120.446 3.551 1
1 40 . 18 1 1 A 10 10 PRO HA H 10 4.425 4.587 -0.162 1
1 46 . 18 1 1 A 10 10 PRO C C 10 176.530 176.515 0.015 1
1 47 . 18 1 1 A 10 10 PRO CA C 10 62.801 62.407 0.394 1
1 48 . 18 1 1 A 10 10 PRO CB C 10 31.871 32.093 -0.222 1
1 51 . 18 1 1 A 11 11 ILE H H 11 8.216 8.325 -0.109 1
1 52 . 18 1 1 A 11 11 ILE HA H 11 4.429 4.477 -0.048 1
1 62 . 18 1 1 A 11 11 ILE C C 11 174.437 174.771 -0.334 1
1 63 . 18 1 1 A 11 11 ILE CA C 11 58.548 59.125 -0.577 1
1 64 . 18 1 1 A 11 11 ILE CB C 11 38.746 38.453 0.293 1
1 68 . 18 1 1 A 11 11 ILE N N 11 123.082 118.665 4.417 1
1 72 . 18 1 1 A 16 16 PRO HA H 16 4.575 4.536 0.039 1
1 78 . 18 1 1 A 16 16 PRO C C 16 175.885 175.335 0.550 1
1 79 . 18 1 1 A 16 16 PRO CA C 16 63.146 62.411 0.735 1
1 80 . 18 1 1 A 16 16 PRO CB C 16 32.894 32.895 -0.001 1
1 83 . 18 1 1 A 17 17 ASP H H 17 8.822 8.636 0.186 1
1 84 . 18 1 1 A 17 17 ASP HA H 17 4.832 4.909 -0.077 1
1 87 . 18 1 1 A 17 17 ASP C C 17 174.878 175.984 -1.106 1
1 88 . 18 1 1 A 17 17 ASP CA C 17 52.473 52.887 -0.414 1
1 89 . 18 1 1 A 17 17 ASP CB C 17 42.755 42.407 0.348 1
1 90 . 18 1 1 A 17 17 ASP N N 17 121.885 120.501 1.384 1
1 91 . 18 1 1 A 18 18 ILE H H 18 8.259 8.583 -0.324 1
1 92 . 18 1 1 A 18 18 ILE HA H 18 3.889 3.947 -0.058 1
1 102 . 18 1 1 A 18 18 ILE C C 18 178.346 176.993 1.353 1
1 103 . 18 1 1 A 18 18 ILE CA C 18 59.806 61.490 -1.684 1
1 104 . 18 1 1 A 18 18 ILE CB C 18 38.247 38.317 -0.070 1
1 108 . 18 1 1 A 18 18 ILE N N 18 118.184 125.915 -7.731 1
1 109 . 18 1 1 A 19 19 GLN H H 19 8.404 7.797 0.607 1
1 110 . 18 1 1 A 19 19 GLN HA H 19 4.199 4.139 0.060 1
1 117 . 18 1 1 A 19 19 GLN C C 19 175.287 174.270 1.017 1
1 118 . 18 1 1 A 19 19 GLN CA C 19 60.889 60.813 0.076 1
1 119 . 18 1 1 A 19 19 GLN CB C 19 26.552 26.774 -0.222 1
1 121 . 18 1 1 A 19 19 GLN N N 19 123.230 122.221 1.009 1
1 123 . 18 1 1 A 20 20 PRO HA H 20 4.217 4.267 -0.050 1
1 130 . 18 1 1 A 20 20 PRO C C 20 179.677 179.534 0.143 1
1 131 . 18 1 1 A 20 20 PRO CA C 20 65.855 66.158 -0.303 1
1 132 . 18 1 1 A 20 20 PRO CB C 20 31.439 30.704 0.735 1
1 135 . 18 1 1 A 21 21 LEU H H 21 7.026 7.127 -0.101 1
1 136 . 18 1 1 A 21 21 LEU HA H 21 3.885 4.068 -0.183 1
1 146 . 18 1 1 A 21 21 LEU C C 21 177.599 178.338 -0.739 1
1 147 . 18 1 1 A 21 21 LEU CA C 21 58.435 57.248 1.187 1
1 148 . 18 1 1 A 21 21 LEU CB C 21 37.236 40.931 -3.695 1
1 152 . 18 1 1 A 21 21 LEU N N 21 116.369 117.037 -0.668 1
1 153 . 18 1 1 A 22 22 GLU H H 22 7.611 8.400 -0.789 1
1 154 . 18 1 1 A 22 22 GLU HA H 22 4.309 4.092 0.217 1
1 159 . 18 1 1 A 22 22 GLU C C 22 180.755 179.435 1.320 1
1 160 . 18 1 1 A 22 22 GLU CA C 22 59.887 59.975 -0.088 1
1 161 . 18 1 1 A 22 22 GLU CB C 22 29.715 29.342 0.373 1
1 163 . 18 1 1 A 22 22 GLU N N 22 119.345 119.297 0.048 1
1 164 . 18 1 1 A 23 23 ARG H H 23 8.662 8.223 0.439 1
1 165 . 18 1 1 A 23 23 ARG HA H 23 4.143 4.095 0.048 1
1 172 . 18 1 1 A 23 23 ARG C C 23 179.115 178.790 0.325 1
1 173 . 18 1 1 A 23 23 ARG CA C 23 59.453 59.429 0.024 1
1 174 . 18 1 1 A 23 23 ARG CB C 23 30.628 30.391 0.237 1
1 177 . 18 1 1 A 23 23 ARG N N 23 119.060 119.329 -0.269 1
1 178 . 18 1 1 A 24 24 TYR H H 24 7.798 7.861 -0.063 1
1 179 . 18 1 1 A 24 24 TYR HA H 24 4.349 4.387 -0.038 1
1 186 . 18 1 1 A 24 24 TYR C C 24 178.627 177.816 0.811 1
1 187 . 18 1 1 A 24 24 TYR CA C 24 61.883 61.744 0.139 1
1 188 . 18 1 1 A 24 24 TYR CB C 24 39.326 38.978 0.348 1
1 193 . 18 1 1 A 24 24 TYR N N 24 122.046 120.723 1.323 1
1 194 . 18 1 1 A 25 25 TRP H H 25 9.612 8.296 1.316 1
1 195 . 18 1 1 A 25 25 TRP HA H 25 4.680 4.419 0.261 1
1 204 . 18 1 1 A 25 25 TRP C C 25 178.218 178.961 -0.743 1
1 205 . 18 1 1 A 25 25 TRP CA C 25 60.775 61.236 -0.461 1
1 206 . 18 1 1 A 25 25 TRP CB C 25 29.956 29.790 0.166 1
1 212 . 18 1 1 A 25 25 TRP N N 25 121.351 121.552 -0.201 1
1 214 . 18 1 1 A 26 26 ALA H H 26 8.336 8.286 0.050 1
1 215 . 18 1 1 A 26 26 ALA HA H 26 3.911 4.044 -0.133 1
1 219 . 18 1 1 A 26 26 ALA C C 26 178.850 179.220 -0.370 1
1 220 . 18 1 1 A 26 26 ALA CA C 26 54.720 54.373 0.347 1
1 221 . 18 1 1 A 26 26 ALA CB C 26 18.147 18.267 -0.120 1
1 222 . 18 1 1 A 26 26 ALA N N 26 118.991 121.463 -2.472 1
1 223 . 18 1 1 A 27 27 ALA H H 27 7.261 7.892 -0.631 1
1 224 . 18 1 1 A 27 27 ALA HA H 27 4.071 4.103 -0.032 1
1 228 . 18 1 1 A 27 27 ALA C C 27 178.433 179.184 -0.751 1
1 229 . 18 1 1 A 27 27 ALA CA C 27 53.440 54.450 -1.010 1
1 230 . 18 1 1 A 27 27 ALA CB C 27 18.789 19.221 -0.432 1
1 231 . 18 1 1 A 27 27 ALA N N 27 116.928 120.065 -3.137 1
1 232 . 18 1 1 A 28 28 HIS H H 28 7.810 7.976 -0.166 1
1 233 . 18 1 1 A 28 28 HIS HA H 28 4.574 4.397 0.177 1
1 238 . 18 1 1 A 28 28 HIS C C 28 175.351 175.126 0.225 1
1 239 . 18 1 1 A 28 28 HIS CA C 28 56.709 57.632 -0.923 1
1 240 . 18 1 1 A 28 28 HIS CB C 28 31.928 30.263 1.665 1
1 243 . 18 1 1 A 28 28 HIS N N 28 113.337 114.243 -0.906 1
1 244 . 18 1 1 A 29 29 GLN H H 29 8.811 7.823 0.988 1
1 245 . 18 1 1 A 29 29 GLN HA H 29 2.344 3.293 -0.949 1
1 251 . 18 1 1 A 29 29 GLN C C 29 173.677 174.337 -0.660 1
1 252 . 18 1 1 A 29 29 GLN CA C 29 57.111 56.501 0.610 1
1 253 . 18 1 1 A 29 29 GLN CB C 29 26.795 27.142 -0.347 1
1 255 . 18 1 1 A 29 29 GLN N N 29 115.607 118.740 -3.133 1
1 257 . 18 1 1 A 30 30 GLN H H 30 7.465 7.635 -0.170 1
1 258 . 18 1 1 A 30 30 GLN HA H 30 4.607 4.935 -0.328 1
1 265 . 18 1 1 A 30 30 GLN C C 30 173.052 173.931 -0.879 1
1 266 . 18 1 1 A 30 30 GLN CA C 30 54.807 54.938 -0.131 1
1 267 . 18 1 1 A 30 30 GLN CB C 30 30.766 31.821 -1.055 1
1 269 . 18 1 1 A 30 30 GLN N N 30 112.695 114.409 -1.714 1
1 271 . 18 1 1 A 31 31 LEU H H 31 8.805 9.013 -0.208 1
1 272 . 18 1 1 A 31 31 LEU HA H 31 4.440 4.474 -0.034 1
1 282 . 18 1 1 A 31 31 LEU C C 31 176.017 175.454 0.563 1
1 283 . 18 1 1 A 31 31 LEU CA C 31 54.608 55.381 -0.773 1
1 284 . 18 1 1 A 31 31 LEU CB C 31 42.819 42.771 0.048 1
1 288 . 18 1 1 A 31 31 LEU N N 31 121.685 126.825 -5.140 1
1 289 . 18 1 1 A 32 32 ARG H H 32 7.422 8.478 -1.056 1
1 290 . 18 1 1 A 32 32 ARG HA H 32 4.574 4.886 -0.312 1
1 297 . 18 1 1 A 32 32 ARG C C 32 177.277 176.384 0.893 1
1 298 . 18 1 1 A 32 32 ARG CA C 32 55.071 53.852 1.219 1
1 299 . 18 1 1 A 32 32 ARG CB C 32 29.854 33.422 -3.568 1
1 302 . 18 1 1 A 32 32 ARG N N 32 126.338 125.144 1.194 1
1 303 . 18 1 1 A 33 33 GLU H H 33 9.164 8.925 0.239 1
1 304 . 18 1 1 A 33 33 GLU HA H 33 3.766 4.049 -0.283 1
1 309 . 18 1 1 A 33 33 GLU C C 33 178.939 178.301 0.638 1
1 310 . 18 1 1 A 33 33 GLU CA C 33 60.097 59.002 1.095 1
1 311 . 18 1 1 A 33 33 GLU CB C 33 29.340 29.020 0.320 1
1 313 . 18 1 1 A 33 33 GLU N N 33 126.822 123.309 3.513 1
1 314 . 18 1 1 A 34 34 THR H H 34 7.785 7.742 0.043 1
1 315 . 18 1 1 A 34 34 THR HA H 34 4.055 4.000 0.055 1
1 320 . 18 1 1 A 34 34 THR C C 34 175.387 175.170 0.217 1
1 321 . 18 1 1 A 34 34 THR CA C 34 63.631 66.710 -3.079 1
1 322 . 18 1 1 A 34 34 THR CB C 34 68.560 68.668 -0.108 1
1 324 . 18 1 1 A 34 34 THR N N 34 108.953 116.775 -7.822 1
1 325 . 18 1 1 A 35 35 ASP H H 35 7.841 7.998 -0.157 1
1 326 . 18 1 1 A 35 35 ASP HA H 35 4.928 4.512 0.416 1
1 329 . 18 1 1 A 35 35 ASP C C 35 175.827 177.701 -1.874 1
1 330 . 18 1 1 A 35 35 ASP CA C 35 55.169 54.858 0.311 1
1 331 . 18 1 1 A 35 35 ASP CB C 35 41.057 41.162 -0.105 1
1 332 . 18 1 1 A 35 35 ASP N N 35 119.019 118.876 0.143 1
1 333 . 18 1 1 A 36 36 ILE H H 36 7.388 8.098 -0.710 1
1 334 . 18 1 1 A 36 36 ILE HA H 36 3.495 3.553 -0.058 1
1 344 . 18 1 1 A 36 36 ILE C C 36 174.161 175.178 -1.017 1
1 345 . 18 1 1 A 36 36 ILE CA C 36 67.912 66.147 1.765 1
1 346 . 18 1 1 A 36 36 ILE CB C 36 35.457 35.330 0.127 1
1 350 . 18 1 1 A 36 36 ILE N N 36 119.567 121.278 -1.711 1
1 351 . 18 1 1 A 37 37 PRO HA H 37 4.232 4.241 -0.009 1
1 358 . 18 1 1 A 37 37 PRO C C 37 179.572 178.796 0.776 1
1 359 . 18 1 1 A 37 37 PRO CA C 37 66.890 66.046 0.844 1
1 360 . 18 1 1 A 37 37 PRO CB C 37 30.704 30.493 0.211 1
1 363 . 18 1 1 A 38 38 GLN H H 38 7.837 8.077 -0.240 1
1 364 . 18 1 1 A 38 38 GLN HA H 38 4.143 4.048 0.095 1
1 371 . 18 1 1 A 38 38 GLN C C 38 178.918 178.386 0.532 1
1 372 . 18 1 1 A 38 38 GLN CA C 38 59.171 58.882 0.289 1
1 373 . 18 1 1 A 38 38 GLN CB C 38 27.986 28.197 -0.211 1
1 375 . 18 1 1 A 38 38 GLN N N 38 117.627 117.483 0.144 1
1 377 . 18 1 1 A 39 39 LEU H H 39 7.991 7.953 0.038 1
1 378 . 18 1 1 A 39 39 LEU HA H 39 3.995 4.065 -0.070 1
1 388 . 18 1 1 A 39 39 LEU C C 39 180.831 179.014 1.817 1
1 389 . 18 1 1 A 39 39 LEU CA C 39 57.722 57.631 0.091 1
1 390 . 18 1 1 A 39 39 LEU CB C 39 42.314 41.166 1.148 1
1 394 . 18 1 1 A 39 39 LEU N N 39 121.128 119.724 1.404 1
1 395 . 18 1 1 A 40 40 SER H H 40 8.980 7.933 1.047 1
1 396 . 18 1 1 A 40 40 SER HA H 40 4.086 4.035 0.051 1
1 399 . 18 1 1 A 40 40 SER C C 40 176.517 176.948 -0.431 1
1 400 . 18 1 1 A 40 40 SER CA C 40 60.859 61.405 -0.546 1
1 401 . 18 1 1 A 40 40 SER CB C 40 63.255 63.094 0.161 1
1 402 . 18 1 1 A 40 40 SER N N 40 117.510 114.006 3.504 1
1 403 . 18 1 1 A 41 41 GLN H H 41 8.074 7.645 0.429 1
1 404 . 18 1 1 A 41 41 GLN HA H 41 4.014 4.061 -0.047 1
1 411 . 18 1 1 A 41 41 GLN C C 41 178.637 178.321 0.316 1
1 412 . 18 1 1 A 41 41 GLN CA C 41 58.955 58.327 0.628 1
1 413 . 18 1 1 A 41 41 GLN CB C 41 28.421 28.478 -0.057 1
1 415 . 18 1 1 A 41 41 GLN N N 41 120.218 121.722 -1.504 1
1 417 . 18 1 1 A 42 42 ALA H H 42 8.149 7.762 0.387 1
1 418 . 18 1 1 A 42 42 ALA HA H 42 4.162 4.105 0.057 1
1 422 . 18 1 1 A 42 42 ALA C C 42 178.442 180.002 -1.560 1
1 423 . 18 1 1 A 42 42 ALA CA C 42 54.567 55.025 -0.458 1
1 424 . 18 1 1 A 42 42 ALA CB C 42 19.202 18.396 0.806 1
1 425 . 18 1 1 A 42 42 ALA N N 42 118.903 122.678 -3.775 1
1 426 . 18 1 1 A 43 43 SER H H 43 7.784 7.716 0.068 1
1 427 . 18 1 1 A 43 43 SER HA H 43 4.851 4.709 0.142 1
1 430 . 18 1 1 A 43 43 SER C C 43 175.304 173.789 1.515 1
1 431 . 18 1 1 A 43 43 SER CA C 43 59.180 58.368 0.812 1
1 432 . 18 1 1 A 43 43 SER CB C 43 66.897 63.389 3.508 1
1 433 . 18 1 1 A 43 43 SER N N 43 109.522 111.854 -2.332 1
1 434 . 18 1 1 A 44 44 ARG H H 44 7.799 7.835 -0.036 1
1 435 . 18 1 1 A 44 44 ARG HA H 44 3.872 3.832 0.040 1
1 441 . 18 1 1 A 44 44 ARG C C 44 175.312 174.572 0.740 1
1 442 . 18 1 1 A 44 44 ARG CA C 44 58.582 57.111 1.471 1
1 443 . 18 1 1 A 44 44 ARG CB C 44 26.661 26.965 -0.304 1
1 446 . 18 1 1 A 44 44 ARG N N 44 114.335 117.374 -3.039 1
1 447 . 18 1 1 A 45 45 LEU H H 45 7.759 7.913 -0.154 1
1 448 . 18 1 1 A 45 45 LEU HA H 45 4.571 4.916 -0.345 1
1 458 . 18 1 1 A 45 45 LEU C C 45 177.069 176.888 0.181 1
1 459 . 18 1 1 A 45 45 LEU CA C 45 53.471 53.211 0.260 1
1 460 . 18 1 1 A 45 45 LEU CB C 45 43.845 44.547 -0.702 1
1 464 . 18 1 1 A 45 45 LEU N N 45 120.316 118.826 1.490 1
1 465 . 18 1 1 A 46 46 SER H H 46 9.062 8.786 0.276 1
1 466 . 18 1 1 A 46 46 SER HA H 46 4.446 4.838 -0.392 1
1 469 . 18 1 1 A 46 46 SER C C 46 174.731 176.116 -1.385 1
1 470 . 18 1 1 A 46 46 SER CA C 46 57.302 57.021 0.281 1
1 471 . 18 1 1 A 46 46 SER CB C 46 65.202 65.248 -0.046 1
1 472 . 18 1 1 A 46 46 SER N N 46 117.855 114.339 3.516 1
1 473 . 18 1 1 A 47 47 THR H H 47 8.770 8.680 0.090 1
1 474 . 18 1 1 A 47 47 THR HA H 47 3.578 3.849 -0.271 1
1 479 . 18 1 1 A 47 47 THR C C 47 176.003 176.315 -0.312 1
1 480 . 18 1 1 A 47 47 THR CA C 47 67.477 65.704 1.773 1
1 481 . 18 1 1 A 47 47 THR CB C 47 68.317 68.675 -0.358 1
1 483 . 18 1 1 A 47 47 THR N N 47 115.428 117.959 -2.531 1
1 484 . 18 1 1 A 48 48 GLN H H 48 8.292 7.915 0.377 1
1 485 . 18 1 1 A 48 48 GLN HA H 48 3.890 3.955 -0.065 1
1 492 . 18 1 1 A 48 48 GLN C C 48 177.625 178.137 -0.512 1
1 493 . 18 1 1 A 48 48 GLN CA C 48 58.482 58.869 -0.387 1
1 494 . 18 1 1 A 48 48 GLN CB C 48 28.614 28.465 0.149 1
1 496 . 18 1 1 A 48 48 GLN N N 48 119.078 120.069 -0.991 1
1 498 . 18 1 1 A 49 49 GLN H H 49 7.765 8.367 -0.602 1
1 499 . 18 1 1 A 49 49 GLN HA H 49 4.153 3.938 0.215 1
1 506 . 18 1 1 A 49 49 GLN C C 49 180.153 178.849 1.304 1
1 507 . 18 1 1 A 49 49 GLN CA C 49 58.927 59.374 -0.447 1
1 508 . 18 1 1 A 49 49 GLN CB C 49 30.030 28.175 1.855 1
1 510 . 18 1 1 A 49 49 GLN N N 49 117.667 118.698 -1.031 1
1 512 . 18 1 1 A 50 50 VAL H H 50 8.465 7.728 0.737 1
1 513 . 18 1 1 A 50 50 VAL HA H 50 3.620 3.751 -0.131 1
1 521 . 18 1 1 A 50 50 VAL C C 50 177.691 178.251 -0.560 1
1 522 . 18 1 1 A 50 50 VAL CA C 50 67.588 66.368 1.220 1
1 523 . 18 1 1 A 50 50 VAL CB C 50 31.470 31.387 0.083 1
1 526 . 18 1 1 A 50 50 VAL N N 50 122.227 119.949 2.278 1
1 527 . 18 1 1 A 51 51 LEU H H 51 8.119 7.756 0.363 1
1 528 . 18 1 1 A 51 51 LEU HA H 51 3.975 3.960 0.015 1
1 538 . 18 1 1 A 51 51 LEU C C 51 179.950 179.038 0.912 1
1 539 . 18 1 1 A 51 51 LEU CA C 51 59.206 58.124 1.082 1
1 540 . 18 1 1 A 51 51 LEU CB C 51 41.515 41.047 0.468 1
1 544 . 18 1 1 A 51 51 LEU N N 51 120.724 120.244 0.480 1
1 545 . 18 1 1 A 52 52 ASP H H 52 8.780 7.970 0.810 1
1 546 . 18 1 1 A 52 52 ASP HA H 52 4.344 4.374 -0.030 1
1 549 . 18 1 1 A 52 52 ASP C C 52 178.654 178.536 0.118 1
1 550 . 18 1 1 A 52 52 ASP CA C 52 57.310 57.054 0.256 1
1 551 . 18 1 1 A 52 52 ASP CB C 52 40.418 40.496 -0.078 1
1 552 . 18 1 1 A 52 52 ASP N N 52 118.559 119.029 -0.470 1
1 553 . 18 1 1 A 53 53 TRP H H 53 8.180 8.062 0.118 1
1 554 . 18 1 1 A 53 53 TRP HA H 53 3.905 4.376 -0.471 1
1 563 . 18 1 1 A 53 53 TRP C C 53 180.216 178.311 1.905 1
1 564 . 18 1 1 A 53 53 TRP CA C 53 62.801 61.130 1.671 1
1 565 . 18 1 1 A 53 53 TRP CB C 53 29.117 30.214 -1.097 1
1 571 . 18 1 1 A 53 53 TRP N N 53 123.121 121.968 1.153 1
1 573 . 18 1 1 A 54 54 PHE H H 54 8.371 8.425 -0.054 1
1 574 . 18 1 1 A 54 54 PHE HA H 54 3.786 4.011 -0.225 1
1 582 . 18 1 1 A 54 54 PHE C C 54 178.605 177.630 0.975 1
1 583 . 18 1 1 A 54 54 PHE CA C 54 63.242 61.892 1.350 1
1 584 . 18 1 1 A 54 54 PHE CB C 54 39.446 38.514 0.932 1
1 590 . 18 1 1 A 54 54 PHE N N 54 117.319 117.686 -0.367 1
1 591 . 18 1 1 A 55 55 ASP H H 55 8.609 8.081 0.528 1
1 592 . 18 1 1 A 55 55 ASP HA H 55 4.499 4.390 0.109 1
1 595 . 18 1 1 A 55 55 ASP C C 55 177.993 178.377 -0.384 1
1 596 . 18 1 1 A 55 55 ASP CA C 55 57.370 57.428 -0.058 1
1 597 . 18 1 1 A 55 55 ASP CB C 55 41.096 41.941 -0.845 1
1 598 . 18 1 1 A 55 55 ASP N N 55 120.805 119.735 1.070 1
1 599 . 18 1 1 A 56 56 SER H H 56 7.450 7.853 -0.403 1
1 600 . 18 1 1 A 56 56 SER HA H 56 4.236 4.110 0.126 1
1 603 . 18 1 1 A 56 56 SER C C 56 174.228 177.011 -2.783 1
1 604 . 18 1 1 A 56 56 SER CA C 56 59.538 61.257 -1.719 1
1 605 . 18 1 1 A 56 56 SER CB C 56 63.340 62.677 0.663 1
1 606 . 18 1 1 A 56 56 SER N N 56 111.640 116.189 -4.549 1
1 607 . 18 1 1 A 57 57 ARG H H 57 7.061 7.444 -0.383 1
1 608 . 18 1 1 A 57 57 ARG HA H 57 3.803 3.861 -0.058 1
1 615 . 18 1 1 A 57 57 ARG C C 57 175.909 177.131 -1.222 1
1 616 . 18 1 1 A 57 57 ARG CA C 57 55.254 58.317 -3.063 1
1 617 . 18 1 1 A 57 57 ARG CB C 57 30.216 29.300 0.916 1
1 620 . 18 1 1 A 57 57 ARG N N 57 120.670 118.869 1.801 1
1 621 . 18 1 1 A 58 58 LEU H H 58 7.519 7.088 0.431 1
1 622 . 18 1 1 A 58 58 LEU HA H 58 4.611 4.496 0.115 1
1 632 . 18 1 1 A 58 58 LEU C C 58 174.867 176.772 -1.905 1
1 633 . 18 1 1 A 58 58 LEU CA C 58 53.322 54.018 -0.696 1
1 634 . 18 1 1 A 58 58 LEU CB C 58 41.891 41.279 0.612 1
1 638 . 18 1 1 A 58 58 LEU N N 58 122.146 121.862 0.284 1
1 639 . 18 1 1 A 59 59 PRO HA H 59 4.489 4.557 -0.068 1
1 645 . 18 1 1 A 59 59 PRO C C 59 176.849 176.351 0.498 1
1 646 . 18 1 1 A 59 59 PRO CA C 59 63.047 63.651 -0.604 1
1 647 . 18 1 1 A 59 59 PRO CB C 59 32.066 31.969 0.097 1
1 650 . 18 1 1 A 60 60 GLN H H 60 8.496 7.633 0.863 1
1 651 . 18 1 1 A 60 60 GLN HA H 60 4.595 4.464 0.131 1
1 658 . 18 1 1 A 60 60 GLN C C 60 174.178 174.126 0.052 1
1 659 . 18 1 1 A 60 60 GLN CA C 60 53.464 54.895 -1.431 1
1 660 . 18 1 1 A 60 60 GLN CB C 60 28.989 28.360 0.629 1
1 662 . 18 1 1 A 60 60 GLN N N 60 121.828 120.517 1.311 1
1 664 . 18 1 1 A 61 61 PRO HA H 61 4.397 4.634 -0.237 1
1 670 . 18 1 1 A 61 61 PRO C C 61 176.634 175.420 1.214 1
1 671 . 18 1 1 A 61 61 PRO CA C 61 63.150 62.519 0.631 1
1 672 . 18 1 1 A 61 61 PRO CB C 61 32.103 32.719 -0.616 1
1 675 . 18 1 1 A 62 62 ALA H H 62 8.445 8.210 0.235 1
1 676 . 18 1 1 A 62 62 ALA HA H 62 4.280 4.627 -0.347 1
1 680 . 18 1 1 A 62 62 ALA C C 62 177.871 175.904 1.967 1
1 681 . 18 1 1 A 62 62 ALA CA C 62 52.522 50.728 1.794 1
1 682 . 18 1 1 A 62 62 ALA CB C 62 19.309 20.310 -1.001 1
1 683 . 18 1 1 A 62 62 ALA N N 62 124.460 122.635 1.825 1
1 684 . 18 1 1 A 63 63 GLU H H 63 8.410 8.867 -0.457 1
1 685 . 18 1 1 A 63 63 GLU HA H 63 4.287 4.493 -0.206 1
1 689 . 18 1 1 A 63 63 GLU C C 63 176.521 176.343 0.178 1
1 690 . 18 1 1 A 63 63 GLU CA C 63 56.478 56.956 -0.478 1
1 691 . 18 1 1 A 63 63 GLU CB C 63 30.371 30.120 0.251 1
1 693 . 18 1 1 A 63 63 GLU N N 63 120.216 125.732 -5.516 1
1 694 . 18 1 1 A 64 64 VAL H H 64 8.221 8.479 -0.258 1
1 695 . 18 1 1 A 64 64 VAL HA H 64 4.177 3.993 0.184 1
1 703 . 18 1 1 A 64 64 VAL C C 64 176.179 175.818 0.361 1
1 704 . 18 1 1 A 64 64 VAL CA C 64 62.212 62.213 -0.001 1
1 705 . 18 1 1 A 64 64 VAL CB C 64 32.875 32.218 0.657 1
1 708 . 18 1 1 A 64 64 VAL N N 64 121.436 127.802 -6.366 1
1 709 . 18 1 1 A 65 65 SER H H 65 8.421 8.605 -0.184 1
1 710 . 18 1 1 A 65 65 SER HA H 65 4.500 4.346 0.154 1
1 713 . 18 1 1 A 65 65 SER C C 65 174.560 174.225 0.335 1
1 714 . 18 1 1 A 65 65 SER CA C 65 58.411 58.999 -0.588 1
1 715 . 18 1 1 A 65 65 SER CB C 65 63.999 63.770 0.229 1
1 716 . 18 1 1 A 65 65 SER N N 65 119.752 121.626 -1.874 1
1 717 . 18 1 1 A 66 66 GLY H H 66 8.268 8.505 -0.237 1
1 718 . 18 1 1 A 66 66 GLY HA2 H 66 4.065 4.171 -0.106 1
1 719 . 18 1 1 A 66 66 GLY HA3 H 66 4.191 4.171 0.020 1
1 720 . 18 1 1 A 66 66 GLY C C 66 171.744 172.289 -0.545 1
1 721 . 18 1 1 A 66 66 GLY CA C 66 44.679 44.532 0.147 1
1 722 . 18 1 1 A 66 66 GLY N N 66 110.950 107.895 3.055 1
1 723 . 18 1 1 A 67 67 PRO HA H 67 4.481 4.619 -0.138 1
1 728 . 18 1 1 A 67 67 PRO C C 67 177.427 175.139 2.288 1
1 729 . 18 1 1 A 67 67 PRO CA C 67 63.264 62.472 0.792 1
1 730 . 18 1 1 A 67 67 PRO CB C 67 32.200 33.121 -0.921 1
1 733 . 18 1 1 A 68 68 SER H H 68 8.543 8.482 0.061 1
1 734 . 18 1 1 A 68 68 SER HA H 68 4.559 4.948 -0.389 1
1 737 . 18 1 1 A 68 68 SER C C 68 174.726 174.408 0.318 1
1 738 . 18 1 1 A 68 68 SER CA C 68 58.368 57.561 0.807 1
1 739 . 18 1 1 A 68 68 SER CB C 68 63.934 67.499 -3.565 1
1 740 . 18 1 1 A 68 68 SER N N 68 116.507 115.070 1.437 1
1 741 . 18 1 1 A 69 69 SER H H 69 8.349 8.857 -0.508 1
1 742 . 18 1 1 A 69 69 SER HA H 69 4.507 4.377 0.130 1
1 745 . 18 1 1 A 69 69 SER C C 69 173.960 176.767 -2.807 1
1 746 . 18 1 1 A 69 69 SER CA C 69 58.355 60.832 -2.477 1
1 747 . 18 1 1 A 69 69 SER CB C 69 63.993 63.763 0.230 1
1 748 . 18 1 1 A 69 69 SER N N 69 117.971 118.820 -0.849 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.533 4.975 -0.442 1
1 4 . 19 1 1 A 6 6 SER C C 6 174.513 172.876 1.637 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.407 57.546 0.861 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.873 65.731 -1.858 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.204 8.350 -0.146 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 4.085 4.191 -0.106 1
1 9 . 19 1 1 A 7 7 GLY C C 7 171.507 172.457 -0.950 1
1 10 . 19 1 1 A 7 7 GLY CA C 7 44.598 45.052 -0.454 1
1 11 . 19 1 1 A 7 7 GLY N N 7 110.772 107.723 3.049 1
1 12 . 19 1 1 A 8 8 PRO HA H 8 4.421 4.502 -0.081 1
1 17 . 19 1 1 A 8 8 PRO C C 8 176.943 177.209 -0.266 1
1 18 . 19 1 1 A 8 8 PRO CA C 8 62.917 62.329 0.588 1
1 19 . 19 1 1 A 8 8 PRO CB C 8 32.101 29.678 2.423 1
1 22 . 19 1 1 A 9 9 LEU H H 9 8.334 8.419 -0.085 1
1 23 . 19 1 1 A 9 9 LEU HA H 9 4.584 3.753 0.831 1
1 33 . 19 1 1 A 9 9 LEU C C 9 175.412 175.206 0.206 1
1 34 . 19 1 1 A 9 9 LEU CA C 9 53.030 55.719 -2.689 1
1 35 . 19 1 1 A 9 9 LEU CB C 9 41.804 40.834 0.970 1
1 39 . 19 1 1 A 9 9 LEU N N 9 123.997 117.838 6.159 1
1 40 . 19 1 1 A 10 10 PRO HA H 10 4.425 4.607 -0.182 1
1 46 . 19 1 1 A 10 10 PRO C C 10 176.530 176.631 -0.101 1
1 47 . 19 1 1 A 10 10 PRO CA C 10 62.801 62.139 0.662 1
1 48 . 19 1 1 A 10 10 PRO CB C 10 31.871 33.121 -1.250 1
1 51 . 19 1 1 A 11 11 ILE H H 11 8.216 8.284 -0.068 1
1 52 . 19 1 1 A 11 11 ILE HA H 11 4.429 4.363 0.066 1
1 62 . 19 1 1 A 11 11 ILE C C 11 174.437 174.962 -0.525 1
1 63 . 19 1 1 A 11 11 ILE CA C 11 58.548 59.515 -0.967 1
1 64 . 19 1 1 A 11 11 ILE CB C 11 38.746 38.191 0.555 1
1 68 . 19 1 1 A 11 11 ILE N N 11 123.082 118.667 4.415 1
1 72 . 19 1 1 A 16 16 PRO HA H 16 4.575 4.577 -0.002 1
1 78 . 19 1 1 A 16 16 PRO C C 16 175.885 174.924 0.961 1
1 79 . 19 1 1 A 16 16 PRO CA C 16 63.146 62.439 0.707 1
1 80 . 19 1 1 A 16 16 PRO CB C 16 32.894 32.863 0.031 1
1 83 . 19 1 1 A 17 17 ASP H H 17 8.822 8.578 0.244 1
1 84 . 19 1 1 A 17 17 ASP HA H 17 4.832 4.907 -0.075 1
1 87 . 19 1 1 A 17 17 ASP C C 17 174.878 175.867 -0.989 1
1 88 . 19 1 1 A 17 17 ASP CA C 17 52.473 53.261 -0.788 1
1 89 . 19 1 1 A 17 17 ASP CB C 17 42.755 42.322 0.433 1
1 90 . 19 1 1 A 17 17 ASP N N 17 121.885 119.985 1.900 1
1 91 . 19 1 1 A 18 18 ILE H H 18 8.259 8.568 -0.309 1
1 92 . 19 1 1 A 18 18 ILE HA H 18 3.889 3.828 0.061 1
1 102 . 19 1 1 A 18 18 ILE C C 18 178.346 177.323 1.023 1
1 103 . 19 1 1 A 18 18 ILE CA C 18 59.806 62.219 -2.413 1
1 104 . 19 1 1 A 18 18 ILE CB C 18 38.247 38.195 0.052 1
1 108 . 19 1 1 A 18 18 ILE N N 18 118.184 125.495 -7.311 1
1 109 . 19 1 1 A 19 19 GLN H H 19 8.404 8.126 0.278 1
1 110 . 19 1 1 A 19 19 GLN HA H 19 4.199 4.090 0.109 1
1 117 . 19 1 1 A 19 19 GLN C C 19 175.287 174.260 1.027 1
1 118 . 19 1 1 A 19 19 GLN CA C 19 60.889 60.806 0.083 1
1 119 . 19 1 1 A 19 19 GLN CB C 19 26.552 26.779 -0.227 1
1 121 . 19 1 1 A 19 19 GLN N N 19 123.230 121.931 1.299 1
1 123 . 19 1 1 A 20 20 PRO HA H 20 4.217 4.248 -0.031 1
1 130 . 19 1 1 A 20 20 PRO C C 20 179.677 179.514 0.163 1
1 131 . 19 1 1 A 20 20 PRO CA C 20 65.855 66.218 -0.363 1
1 132 . 19 1 1 A 20 20 PRO CB C 20 31.439 30.623 0.816 1
1 135 . 19 1 1 A 21 21 LEU H H 21 7.026 7.186 -0.160 1
1 136 . 19 1 1 A 21 21 LEU HA H 21 3.885 4.102 -0.217 1
1 146 . 19 1 1 A 21 21 LEU C C 21 177.599 178.368 -0.769 1
1 147 . 19 1 1 A 21 21 LEU CA C 21 58.435 57.258 1.177 1
1 148 . 19 1 1 A 21 21 LEU CB C 21 37.236 41.070 -3.834 1
1 152 . 19 1 1 A 21 21 LEU N N 21 116.369 117.061 -0.692 1
1 153 . 19 1 1 A 22 22 GLU H H 22 7.611 8.357 -0.746 1
1 154 . 19 1 1 A 22 22 GLU HA H 22 4.309 4.142 0.167 1
1 159 . 19 1 1 A 22 22 GLU C C 22 180.755 179.259 1.496 1
1 160 . 19 1 1 A 22 22 GLU CA C 22 59.887 59.999 -0.112 1
1 161 . 19 1 1 A 22 22 GLU CB C 22 29.715 29.349 0.366 1
1 163 . 19 1 1 A 22 22 GLU N N 22 119.345 119.396 -0.051 1
1 164 . 19 1 1 A 23 23 ARG H H 23 8.662 8.162 0.500 1
1 165 . 19 1 1 A 23 23 ARG HA H 23 4.143 4.135 0.008 1
1 172 . 19 1 1 A 23 23 ARG C C 23 179.115 178.717 0.398 1
1 173 . 19 1 1 A 23 23 ARG CA C 23 59.453 59.516 -0.063 1
1 174 . 19 1 1 A 23 23 ARG CB C 23 30.628 30.209 0.419 1
1 177 . 19 1 1 A 23 23 ARG N N 23 119.060 119.294 -0.234 1
1 178 . 19 1 1 A 24 24 TYR H H 24 7.798 7.834 -0.036 1
1 179 . 19 1 1 A 24 24 TYR HA H 24 4.349 4.403 -0.054 1
1 186 . 19 1 1 A 24 24 TYR C C 24 178.627 177.920 0.707 1
1 187 . 19 1 1 A 24 24 TYR CA C 24 61.883 61.714 0.169 1
1 188 . 19 1 1 A 24 24 TYR CB C 24 39.326 38.968 0.358 1
1 193 . 19 1 1 A 24 24 TYR N N 24 122.046 120.597 1.449 1
1 194 . 19 1 1 A 25 25 TRP H H 25 9.612 8.171 1.441 1
1 195 . 19 1 1 A 25 25 TRP HA H 25 4.680 4.302 0.378 1
1 204 . 19 1 1 A 25 25 TRP C C 25 178.218 178.980 -0.762 1
1 205 . 19 1 1 A 25 25 TRP CA C 25 60.775 60.886 -0.111 1
1 206 . 19 1 1 A 25 25 TRP CB C 25 29.956 29.686 0.270 1
1 212 . 19 1 1 A 25 25 TRP N N 25 121.351 121.476 -0.125 1
1 214 . 19 1 1 A 26 26 ALA H H 26 8.336 8.431 -0.095 1
1 215 . 19 1 1 A 26 26 ALA HA H 26 3.911 4.079 -0.168 1
1 219 . 19 1 1 A 26 26 ALA C C 26 178.850 178.983 -0.133 1
1 220 . 19 1 1 A 26 26 ALA CA C 26 54.720 53.993 0.727 1
1 221 . 19 1 1 A 26 26 ALA CB C 26 18.147 18.388 -0.241 1
1 222 . 19 1 1 A 26 26 ALA N N 26 118.991 121.403 -2.412 1
1 223 . 19 1 1 A 27 27 ALA H H 27 7.261 7.807 -0.546 1
1 224 . 19 1 1 A 27 27 ALA HA H 27 4.071 4.300 -0.229 1
1 228 . 19 1 1 A 27 27 ALA C C 27 178.433 179.056 -0.623 1
1 229 . 19 1 1 A 27 27 ALA CA C 27 53.440 54.188 -0.748 1
1 230 . 19 1 1 A 27 27 ALA CB C 27 18.789 19.912 -1.123 1
1 231 . 19 1 1 A 27 27 ALA N N 27 116.928 119.937 -3.009 1
1 232 . 19 1 1 A 28 28 HIS H H 28 7.810 8.279 -0.469 1
1 233 . 19 1 1 A 28 28 HIS HA H 28 4.574 4.430 0.144 1
1 238 . 19 1 1 A 28 28 HIS C C 28 175.351 174.952 0.399 1
1 239 . 19 1 1 A 28 28 HIS CA C 28 56.709 57.245 -0.536 1
1 240 . 19 1 1 A 28 28 HIS CB C 28 31.928 30.381 1.547 1
1 243 . 19 1 1 A 28 28 HIS N N 28 113.337 113.846 -0.509 1
1 244 . 19 1 1 A 29 29 GLN H H 29 8.811 7.930 0.881 1
1 245 . 19 1 1 A 29 29 GLN HA H 29 2.344 3.115 -0.771 1
1 251 . 19 1 1 A 29 29 GLN C C 29 173.677 174.116 -0.439 1
1 252 . 19 1 1 A 29 29 GLN CA C 29 57.111 56.273 0.838 1
1 253 . 19 1 1 A 29 29 GLN CB C 29 26.795 27.092 -0.297 1
1 255 . 19 1 1 A 29 29 GLN N N 29 115.607 118.308 -2.701 1
1 257 . 19 1 1 A 30 30 GLN H H 30 7.465 7.524 -0.059 1
1 258 . 19 1 1 A 30 30 GLN HA H 30 4.607 4.923 -0.316 1
1 265 . 19 1 1 A 30 30 GLN C C 30 173.052 173.768 -0.716 1
1 266 . 19 1 1 A 30 30 GLN CA C 30 54.807 54.941 -0.134 1
1 267 . 19 1 1 A 30 30 GLN CB C 30 30.766 31.511 -0.745 1
1 269 . 19 1 1 A 30 30 GLN N N 30 112.695 114.269 -1.574 1
1 271 . 19 1 1 A 31 31 LEU H H 31 8.805 8.933 -0.128 1
1 272 . 19 1 1 A 31 31 LEU HA H 31 4.440 4.731 -0.291 1
1 282 . 19 1 1 A 31 31 LEU C C 31 176.017 175.408 0.609 1
1 283 . 19 1 1 A 31 31 LEU CA C 31 54.608 54.764 -0.156 1
1 284 . 19 1 1 A 31 31 LEU CB C 31 42.819 43.115 -0.296 1
1 288 . 19 1 1 A 31 31 LEU N N 31 121.685 126.475 -4.790 1
1 289 . 19 1 1 A 32 32 ARG H H 32 7.422 8.524 -1.102 1
1 290 . 19 1 1 A 32 32 ARG HA H 32 4.574 4.912 -0.338 1
1 297 . 19 1 1 A 32 32 ARG C C 32 177.277 176.250 1.027 1
1 298 . 19 1 1 A 32 32 ARG CA C 32 55.071 54.037 1.034 1
1 299 . 19 1 1 A 32 32 ARG CB C 32 29.854 33.667 -3.813 1
1 302 . 19 1 1 A 32 32 ARG N N 32 126.338 124.567 1.771 1
1 303 . 19 1 1 A 33 33 GLU H H 33 9.164 8.966 0.198 1
1 304 . 19 1 1 A 33 33 GLU HA H 33 3.766 3.910 -0.144 1
1 309 . 19 1 1 A 33 33 GLU C C 33 178.939 177.301 1.638 1
1 310 . 19 1 1 A 33 33 GLU CA C 33 60.097 59.226 0.871 1
1 311 . 19 1 1 A 33 33 GLU CB C 33 29.340 29.313 0.027 1
1 313 . 19 1 1 A 33 33 GLU N N 33 126.822 124.679 2.143 1
1 314 . 19 1 1 A 34 34 THR H H 34 7.785 7.896 -0.111 1
1 315 . 19 1 1 A 34 34 THR HA H 34 4.055 4.035 0.020 1
1 320 . 19 1 1 A 34 34 THR C C 34 175.387 175.818 -0.431 1
1 321 . 19 1 1 A 34 34 THR CA C 34 63.631 64.889 -1.258 1
1 322 . 19 1 1 A 34 34 THR CB C 34 68.560 68.856 -0.296 1
1 324 . 19 1 1 A 34 34 THR N N 34 108.953 114.213 -5.260 1
1 325 . 19 1 1 A 35 35 ASP H H 35 7.841 8.136 -0.295 1
1 326 . 19 1 1 A 35 35 ASP HA H 35 4.928 4.446 0.482 1
1 329 . 19 1 1 A 35 35 ASP C C 35 175.827 177.525 -1.698 1
1 330 . 19 1 1 A 35 35 ASP CA C 35 55.169 55.154 0.015 1
1 331 . 19 1 1 A 35 35 ASP CB C 35 41.057 41.245 -0.188 1
1 332 . 19 1 1 A 35 35 ASP N N 35 119.019 120.847 -1.828 1
1 333 . 19 1 1 A 36 36 ILE H H 36 7.388 7.835 -0.447 1
1 334 . 19 1 1 A 36 36 ILE HA H 36 3.495 3.608 -0.113 1
1 344 . 19 1 1 A 36 36 ILE C C 36 174.161 175.174 -1.013 1
1 345 . 19 1 1 A 36 36 ILE CA C 36 67.912 66.348 1.564 1
1 346 . 19 1 1 A 36 36 ILE CB C 36 35.457 35.736 -0.279 1
1 350 . 19 1 1 A 36 36 ILE N N 36 119.567 121.154 -1.587 1
1 351 . 19 1 1 A 37 37 PRO HA H 37 4.232 4.307 -0.075 1
1 358 . 19 1 1 A 37 37 PRO C C 37 179.572 178.726 0.846 1
1 359 . 19 1 1 A 37 37 PRO CA C 37 66.890 65.218 1.672 1
1 360 . 19 1 1 A 37 37 PRO CB C 37 30.704 30.800 -0.096 1
1 363 . 19 1 1 A 38 38 GLN H H 38 7.837 8.080 -0.243 1
1 364 . 19 1 1 A 38 38 GLN HA H 38 4.143 4.041 0.102 1
1 371 . 19 1 1 A 38 38 GLN C C 38 178.918 178.188 0.730 1
1 372 . 19 1 1 A 38 38 GLN CA C 38 59.171 58.845 0.326 1
1 373 . 19 1 1 A 38 38 GLN CB C 38 27.986 28.156 -0.170 1
1 375 . 19 1 1 A 38 38 GLN N N 38 117.627 117.486 0.141 1
1 377 . 19 1 1 A 39 39 LEU H H 39 7.991 8.321 -0.330 1
1 378 . 19 1 1 A 39 39 LEU HA H 39 3.995 3.965 0.030 1
1 388 . 19 1 1 A 39 39 LEU C C 39 180.831 178.871 1.960 1
1 389 . 19 1 1 A 39 39 LEU CA C 39 57.722 57.463 0.259 1
1 390 . 19 1 1 A 39 39 LEU CB C 39 42.314 41.632 0.682 1
1 394 . 19 1 1 A 39 39 LEU N N 39 121.128 119.791 1.337 1
1 395 . 19 1 1 A 40 40 SER H H 40 8.980 8.104 0.876 1
1 396 . 19 1 1 A 40 40 SER HA H 40 4.086 4.261 -0.175 1
1 399 . 19 1 1 A 40 40 SER C C 40 176.517 176.978 -0.461 1
1 400 . 19 1 1 A 40 40 SER CA C 40 60.859 60.920 -0.061 1
1 401 . 19 1 1 A 40 40 SER CB C 40 63.255 62.825 0.430 1
1 402 . 19 1 1 A 40 40 SER N N 40 117.510 113.238 4.272 1
1 403 . 19 1 1 A 41 41 GLN H H 41 8.074 8.420 -0.346 1
1 404 . 19 1 1 A 41 41 GLN HA H 41 4.014 4.053 -0.039 1
1 411 . 19 1 1 A 41 41 GLN C C 41 178.637 177.851 0.786 1
1 412 . 19 1 1 A 41 41 GLN CA C 41 58.955 58.465 0.490 1
1 413 . 19 1 1 A 41 41 GLN CB C 41 28.421 28.300 0.121 1
1 415 . 19 1 1 A 41 41 GLN N N 41 120.218 119.848 0.370 1
1 417 . 19 1 1 A 42 42 ALA H H 42 8.149 7.877 0.272 1
1 418 . 19 1 1 A 42 42 ALA HA H 42 4.162 4.164 -0.002 1
1 422 . 19 1 1 A 42 42 ALA C C 42 178.442 179.854 -1.412 1
1 423 . 19 1 1 A 42 42 ALA CA C 42 54.567 55.043 -0.476 1
1 424 . 19 1 1 A 42 42 ALA CB C 42 19.202 18.326 0.876 1
1 425 . 19 1 1 A 42 42 ALA N N 42 118.903 121.768 -2.865 1
1 426 . 19 1 1 A 43 43 SER H H 43 7.784 7.987 -0.203 1
1 427 . 19 1 1 A 43 43 SER HA H 43 4.851 4.524 0.327 1
1 430 . 19 1 1 A 43 43 SER C C 43 175.304 174.499 0.805 1
1 431 . 19 1 1 A 43 43 SER CA C 43 59.180 58.991 0.189 1
1 432 . 19 1 1 A 43 43 SER CB C 43 66.897 63.908 2.989 1
1 433 . 19 1 1 A 43 43 SER N N 43 109.522 110.730 -1.208 1
1 434 . 19 1 1 A 44 44 ARG H H 44 7.799 7.803 -0.004 1
1 435 . 19 1 1 A 44 44 ARG HA H 44 3.872 3.842 0.030 1
1 441 . 19 1 1 A 44 44 ARG C C 44 175.312 174.658 0.654 1
1 442 . 19 1 1 A 44 44 ARG CA C 44 58.582 57.300 1.282 1
1 443 . 19 1 1 A 44 44 ARG CB C 44 26.661 27.083 -0.422 1
1 446 . 19 1 1 A 44 44 ARG N N 44 114.335 116.636 -2.301 1
1 447 . 19 1 1 A 45 45 LEU H H 45 7.759 7.295 0.464 1
1 448 . 19 1 1 A 45 45 LEU HA H 45 4.571 4.855 -0.284 1
1 458 . 19 1 1 A 45 45 LEU C C 45 177.069 176.551 0.518 1
1 459 . 19 1 1 A 45 45 LEU CA C 45 53.471 53.294 0.177 1
1 460 . 19 1 1 A 45 45 LEU CB C 45 43.845 43.880 -0.035 1
1 464 . 19 1 1 A 45 45 LEU N N 45 120.316 118.883 1.433 1
1 465 . 19 1 1 A 46 46 SER H H 46 9.062 8.793 0.269 1
1 466 . 19 1 1 A 46 46 SER HA H 46 4.446 4.869 -0.423 1
1 469 . 19 1 1 A 46 46 SER C C 46 174.731 176.263 -1.532 1
1 470 . 19 1 1 A 46 46 SER CA C 46 57.302 57.188 0.114 1
1 471 . 19 1 1 A 46 46 SER CB C 46 65.202 64.929 0.273 1
1 472 . 19 1 1 A 46 46 SER N N 46 117.855 113.407 4.448 1
1 473 . 19 1 1 A 47 47 THR H H 47 8.770 8.757 0.013 1
1 474 . 19 1 1 A 47 47 THR HA H 47 3.578 3.862 -0.284 1
1 479 . 19 1 1 A 47 47 THR C C 47 176.003 176.464 -0.461 1
1 480 . 19 1 1 A 47 47 THR CA C 47 67.477 65.677 1.800 1
1 481 . 19 1 1 A 47 47 THR CB C 47 68.317 68.693 -0.376 1
1 483 . 19 1 1 A 47 47 THR N N 47 115.428 117.646 -2.218 1
1 484 . 19 1 1 A 48 48 GLN H H 48 8.292 7.801 0.491 1
1 485 . 19 1 1 A 48 48 GLN HA H 48 3.890 4.032 -0.142 1
1 492 . 19 1 1 A 48 48 GLN C C 48 177.625 178.031 -0.406 1
1 493 . 19 1 1 A 48 48 GLN CA C 48 58.482 58.851 -0.369 1
1 494 . 19 1 1 A 48 48 GLN CB C 48 28.614 28.546 0.068 1
1 496 . 19 1 1 A 48 48 GLN N N 48 119.078 120.587 -1.509 1
1 498 . 19 1 1 A 49 49 GLN H H 49 7.765 7.996 -0.231 1
1 499 . 19 1 1 A 49 49 GLN HA H 49 4.153 4.000 0.153 1
1 506 . 19 1 1 A 49 49 GLN C C 49 180.153 178.716 1.437 1
1 507 . 19 1 1 A 49 49 GLN CA C 49 58.927 59.384 -0.457 1
1 508 . 19 1 1 A 49 49 GLN CB C 49 30.030 28.421 1.609 1
1 510 . 19 1 1 A 49 49 GLN N N 49 117.667 118.767 -1.100 1
1 512 . 19 1 1 A 50 50 VAL H H 50 8.465 7.694 0.771 1
1 513 . 19 1 1 A 50 50 VAL HA H 50 3.620 3.757 -0.137 1
1 521 . 19 1 1 A 50 50 VAL C C 50 177.691 178.229 -0.538 1
1 522 . 19 1 1 A 50 50 VAL CA C 50 67.588 66.620 0.968 1
1 523 . 19 1 1 A 50 50 VAL CB C 50 31.470 31.327 0.143 1
1 526 . 19 1 1 A 50 50 VAL N N 50 122.227 120.001 2.226 1
1 527 . 19 1 1 A 51 51 LEU H H 51 8.119 8.175 -0.056 1
1 528 . 19 1 1 A 51 51 LEU HA H 51 3.975 3.940 0.035 1
1 538 . 19 1 1 A 51 51 LEU C C 51 179.950 179.235 0.715 1
1 539 . 19 1 1 A 51 51 LEU CA C 51 59.206 58.113 1.093 1
1 540 . 19 1 1 A 51 51 LEU CB C 51 41.515 41.109 0.406 1
1 544 . 19 1 1 A 51 51 LEU N N 51 120.724 119.473 1.251 1
1 545 . 19 1 1 A 52 52 ASP H H 52 8.780 8.060 0.720 1
1 546 . 19 1 1 A 52 52 ASP HA H 52 4.344 4.398 -0.054 1
1 549 . 19 1 1 A 52 52 ASP C C 52 178.654 178.517 0.137 1
1 550 . 19 1 1 A 52 52 ASP CA C 52 57.310 57.103 0.207 1
1 551 . 19 1 1 A 52 52 ASP CB C 52 40.418 40.431 -0.013 1
1 552 . 19 1 1 A 52 52 ASP N N 52 118.559 118.997 -0.438 1
1 553 . 19 1 1 A 53 53 TRP H H 53 8.180 8.365 -0.185 1
1 554 . 19 1 1 A 53 53 TRP HA H 53 3.905 4.344 -0.439 1
1 563 . 19 1 1 A 53 53 TRP C C 53 180.216 178.277 1.939 1
1 564 . 19 1 1 A 53 53 TRP CA C 53 62.801 61.057 1.744 1
1 565 . 19 1 1 A 53 53 TRP CB C 53 29.117 29.818 -0.701 1
1 571 . 19 1 1 A 53 53 TRP N N 53 123.121 121.696 1.425 1
1 573 . 19 1 1 A 54 54 PHE H H 54 8.371 8.369 0.002 1
1 574 . 19 1 1 A 54 54 PHE HA H 54 3.786 3.819 -0.033 1
1 582 . 19 1 1 A 54 54 PHE C C 54 178.605 177.345 1.260 1
1 583 . 19 1 1 A 54 54 PHE CA C 54 63.242 62.215 1.027 1
1 584 . 19 1 1 A 54 54 PHE CB C 54 39.446 38.615 0.831 1
1 590 . 19 1 1 A 54 54 PHE N N 54 117.319 117.676 -0.357 1
1 591 . 19 1 1 A 55 55 ASP H H 55 8.609 7.954 0.655 1
1 592 . 19 1 1 A 55 55 ASP HA H 55 4.499 4.365 0.134 1
1 595 . 19 1 1 A 55 55 ASP C C 55 177.993 178.363 -0.370 1
1 596 . 19 1 1 A 55 55 ASP CA C 55 57.370 57.702 -0.332 1
1 597 . 19 1 1 A 55 55 ASP CB C 55 41.096 42.147 -1.051 1
1 598 . 19 1 1 A 55 55 ASP N N 55 120.805 119.676 1.129 1
1 599 . 19 1 1 A 56 56 SER H H 56 7.450 8.093 -0.643 1
1 600 . 19 1 1 A 56 56 SER HA H 56 4.236 4.057 0.179 1
1 603 . 19 1 1 A 56 56 SER C C 56 174.228 176.995 -2.767 1
1 604 . 19 1 1 A 56 56 SER CA C 56 59.538 61.438 -1.900 1
1 605 . 19 1 1 A 56 56 SER CB C 56 63.340 62.511 0.829 1
1 606 . 19 1 1 A 56 56 SER N N 56 111.640 116.513 -4.873 1
1 607 . 19 1 1 A 57 57 ARG H H 57 7.061 7.249 -0.188 1
1 608 . 19 1 1 A 57 57 ARG HA H 57 3.803 3.820 -0.017 1
1 615 . 19 1 1 A 57 57 ARG C C 57 175.909 177.266 -1.357 1
1 616 . 19 1 1 A 57 57 ARG CA C 57 55.254 58.602 -3.348 1
1 617 . 19 1 1 A 57 57 ARG CB C 57 30.216 29.202 1.014 1
1 620 . 19 1 1 A 57 57 ARG N N 57 120.670 119.525 1.145 1
1 621 . 19 1 1 A 58 58 LEU H H 58 7.519 7.063 0.456 1
1 622 . 19 1 1 A 58 58 LEU HA H 58 4.611 4.564 0.047 1
1 632 . 19 1 1 A 58 58 LEU C C 58 174.867 174.764 0.103 1
1 633 . 19 1 1 A 58 58 LEU CA C 58 53.322 53.879 -0.557 1
1 634 . 19 1 1 A 58 58 LEU CB C 58 41.891 41.285 0.606 1
1 638 . 19 1 1 A 58 58 LEU N N 58 122.146 121.403 0.743 1
1 639 . 19 1 1 A 59 59 PRO HA H 59 4.489 4.413 0.076 1
1 645 . 19 1 1 A 59 59 PRO C C 59 176.849 177.208 -0.359 1
1 646 . 19 1 1 A 59 59 PRO CA C 59 63.047 62.718 0.329 1
1 647 . 19 1 1 A 59 59 PRO CB C 59 32.066 32.730 -0.664 1
1 650 . 19 1 1 A 60 60 GLN H H 60 8.496 8.889 -0.393 1
1 651 . 19 1 1 A 60 60 GLN HA H 60 4.595 3.965 0.630 1
1 658 . 19 1 1 A 60 60 GLN C C 60 174.178 174.937 -0.759 1
1 659 . 19 1 1 A 60 60 GLN CA C 60 53.464 56.611 -3.147 1
1 660 . 19 1 1 A 60 60 GLN CB C 60 28.989 27.422 1.567 1
1 662 . 19 1 1 A 60 60 GLN N N 60 121.828 120.767 1.061 1
1 664 . 19 1 1 A 61 61 PRO HA H 61 4.397 4.559 -0.162 1
1 670 . 19 1 1 A 61 61 PRO C C 61 176.634 176.160 0.474 1
1 671 . 19 1 1 A 61 61 PRO CA C 61 63.150 62.415 0.735 1
1 672 . 19 1 1 A 61 61 PRO CB C 61 32.103 32.721 -0.618 1
1 675 . 19 1 1 A 62 62 ALA H H 62 8.445 8.106 0.339 1
1 676 . 19 1 1 A 62 62 ALA HA H 62 4.280 4.644 -0.364 1
1 680 . 19 1 1 A 62 62 ALA C C 62 177.871 177.595 0.276 1
1 681 . 19 1 1 A 62 62 ALA CA C 62 52.522 50.662 1.860 1
1 682 . 19 1 1 A 62 62 ALA CB C 62 19.309 21.046 -1.737 1
1 683 . 19 1 1 A 62 62 ALA N N 62 124.460 121.460 3.000 1
1 684 . 19 1 1 A 63 63 GLU H H 63 8.410 8.629 -0.219 1
1 685 . 19 1 1 A 63 63 GLU HA H 63 4.287 4.375 -0.088 1
1 689 . 19 1 1 A 63 63 GLU C C 63 176.521 176.195 0.326 1
1 690 . 19 1 1 A 63 63 GLU CA C 63 56.478 57.358 -0.880 1
1 691 . 19 1 1 A 63 63 GLU CB C 63 30.371 30.019 0.352 1
1 693 . 19 1 1 A 63 63 GLU N N 63 120.216 118.704 1.512 1
1 694 . 19 1 1 A 64 64 VAL H H 64 8.221 8.471 -0.250 1
1 695 . 19 1 1 A 64 64 VAL HA H 64 4.177 4.718 -0.541 1
1 703 . 19 1 1 A 64 64 VAL C C 64 176.179 175.846 0.333 1
1 704 . 19 1 1 A 64 64 VAL CA C 64 62.212 60.297 1.915 1
1 705 . 19 1 1 A 64 64 VAL CB C 64 32.875 35.326 -2.451 1
1 708 . 19 1 1 A 64 64 VAL N N 64 121.436 120.591 0.845 1
1 709 . 19 1 1 A 65 65 SER H H 65 8.421 9.066 -0.645 1
1 710 . 19 1 1 A 65 65 SER HA H 65 4.500 4.090 0.410 1
1 713 . 19 1 1 A 65 65 SER C C 65 174.560 174.767 -0.207 1
1 714 . 19 1 1 A 65 65 SER CA C 65 58.411 60.887 -2.476 1
1 715 . 19 1 1 A 65 65 SER CB C 65 63.999 63.780 0.219 1
1 716 . 19 1 1 A 65 65 SER N N 65 119.752 121.676 -1.924 1
1 717 . 19 1 1 A 66 66 GLY H H 66 8.268 7.912 0.356 1
1 718 . 19 1 1 A 66 66 GLY HA2 H 66 4.065 3.913 0.152 1
1 719 . 19 1 1 A 66 66 GLY HA3 H 66 4.191 3.916 0.275 1
1 720 . 19 1 1 A 66 66 GLY C C 66 171.744 175.374 -3.630 1
1 721 . 19 1 1 A 66 66 GLY CA C 66 44.679 46.627 -1.948 1
1 722 . 19 1 1 A 66 66 GLY N N 66 110.950 107.911 3.039 1
1 723 . 19 1 1 A 67 67 PRO HA H 67 4.481 4.573 -0.092 1
1 728 . 19 1 1 A 67 67 PRO C C 67 177.427 176.651 0.776 1
1 729 . 19 1 1 A 67 67 PRO CA C 67 63.264 63.713 -0.449 1
1 730 . 19 1 1 A 67 67 PRO CB C 67 32.200 32.019 0.181 1
1 733 . 19 1 1 A 68 68 SER H H 68 8.543 7.681 0.862 1
1 734 . 19 1 1 A 68 68 SER HA H 68 4.559 4.324 0.235 1
1 737 . 19 1 1 A 68 68 SER C C 68 174.726 173.826 0.900 1
1 738 . 19 1 1 A 68 68 SER CA C 68 58.368 58.855 -0.487 1
1 739 . 19 1 1 A 68 68 SER CB C 68 63.934 63.291 0.643 1
1 740 . 19 1 1 A 68 68 SER N N 68 116.507 116.411 0.096 1
1 741 . 19 1 1 A 69 69 SER H H 69 8.349 8.549 -0.200 1
1 742 . 19 1 1 A 69 69 SER HA H 69 4.507 5.192 -0.685 1
1 745 . 19 1 1 A 69 69 SER C C 69 173.960 174.567 -0.607 1
1 746 . 19 1 1 A 69 69 SER CA C 69 58.355 56.508 1.847 1
1 747 . 19 1 1 A 69 69 SER CB C 69 63.993 65.811 -1.818 1
1 748 . 19 1 1 A 69 69 SER N N 69 117.971 117.786 0.185 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.533 4.988 -0.455 1
1 4 . 20 1 1 A 6 6 SER C C 6 174.513 175.072 -0.559 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.407 56.309 2.098 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.873 65.844 -1.971 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.204 8.635 -0.431 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 4.085 3.882 0.203 1
1 9 . 20 1 1 A 7 7 GLY C C 7 171.507 173.905 -2.398 1
1 10 . 20 1 1 A 7 7 GLY CA C 7 44.598 47.085 -2.487 1
1 11 . 20 1 1 A 7 7 GLY N N 7 110.772 110.799 -0.027 1
1 12 . 20 1 1 A 8 8 PRO HA H 8 4.421 4.585 -0.164 1
1 17 . 20 1 1 A 8 8 PRO C C 8 176.943 176.398 0.545 1
1 18 . 20 1 1 A 8 8 PRO CA C 8 62.917 62.918 -0.001 1
1 19 . 20 1 1 A 8 8 PRO CB C 8 32.101 32.172 -0.071 1
1 22 . 20 1 1 A 9 9 LEU H H 9 8.334 8.287 0.047 1
1 23 . 20 1 1 A 9 9 LEU HA H 9 4.584 4.716 -0.132 1
1 33 . 20 1 1 A 9 9 LEU C C 9 175.412 175.879 -0.467 1
1 34 . 20 1 1 A 9 9 LEU CA C 9 53.030 52.218 0.812 1
1 35 . 20 1 1 A 9 9 LEU CB C 9 41.804 42.806 -1.002 1
1 39 . 20 1 1 A 9 9 LEU N N 9 123.997 118.527 5.470 1
1 40 . 20 1 1 A 10 10 PRO HA H 10 4.425 4.589 -0.164 1
1 46 . 20 1 1 A 10 10 PRO C C 10 176.530 176.812 -0.282 1
1 47 . 20 1 1 A 10 10 PRO CA C 10 62.801 62.119 0.682 1
1 48 . 20 1 1 A 10 10 PRO CB C 10 31.871 32.923 -1.052 1
1 51 . 20 1 1 A 11 11 ILE H H 11 8.216 8.335 -0.119 1
1 52 . 20 1 1 A 11 11 ILE HA H 11 4.429 4.245 0.184 1
1 62 . 20 1 1 A 11 11 ILE C C 11 174.437 175.381 -0.944 1
1 63 . 20 1 1 A 11 11 ILE CA C 11 58.548 60.141 -1.593 1
1 64 . 20 1 1 A 11 11 ILE CB C 11 38.746 37.956 0.790 1
1 68 . 20 1 1 A 11 11 ILE N N 11 123.082 119.750 3.332 1
1 72 . 20 1 1 A 16 16 PRO HA H 16 4.575 4.526 0.049 1
1 78 . 20 1 1 A 16 16 PRO C C 16 175.885 175.357 0.528 1
1 79 . 20 1 1 A 16 16 PRO CA C 16 63.146 62.478 0.668 1
1 80 . 20 1 1 A 16 16 PRO CB C 16 32.894 32.431 0.463 1
1 83 . 20 1 1 A 17 17 ASP H H 17 8.822 8.265 0.557 1
1 84 . 20 1 1 A 17 17 ASP HA H 17 4.832 4.788 0.044 1
1 87 . 20 1 1 A 17 17 ASP C C 17 174.878 176.320 -1.442 1
1 88 . 20 1 1 A 17 17 ASP CA C 17 52.473 52.812 -0.339 1
1 89 . 20 1 1 A 17 17 ASP CB C 17 42.755 41.503 1.252 1
1 90 . 20 1 1 A 17 17 ASP N N 17 121.885 119.803 2.082 1
1 91 . 20 1 1 A 18 18 ILE H H 18 8.259 8.585 -0.326 1
1 92 . 20 1 1 A 18 18 ILE HA H 18 3.889 3.943 -0.054 1
1 102 . 20 1 1 A 18 18 ILE C C 18 178.346 176.962 1.384 1
1 103 . 20 1 1 A 18 18 ILE CA C 18 59.806 61.252 -1.446 1
1 104 . 20 1 1 A 18 18 ILE CB C 18 38.247 38.276 -0.029 1
1 108 . 20 1 1 A 18 18 ILE N N 18 118.184 126.128 -7.944 1
1 109 . 20 1 1 A 19 19 GLN H H 19 8.404 7.578 0.826 1
1 110 . 20 1 1 A 19 19 GLN HA H 19 4.199 4.132 0.067 1
1 117 . 20 1 1 A 19 19 GLN C C 19 175.287 174.258 1.029 1
1 118 . 20 1 1 A 19 19 GLN CA C 19 60.889 60.798 0.091 1
1 119 . 20 1 1 A 19 19 GLN CB C 19 26.552 26.769 -0.217 1
1 121 . 20 1 1 A 19 19 GLN N N 19 123.230 122.272 0.958 1
1 123 . 20 1 1 A 20 20 PRO HA H 20 4.217 4.246 -0.029 1
1 130 . 20 1 1 A 20 20 PRO C C 20 179.677 179.513 0.164 1
1 131 . 20 1 1 A 20 20 PRO CA C 20 65.855 66.216 -0.361 1
1 132 . 20 1 1 A 20 20 PRO CB C 20 31.439 30.613 0.826 1
1 135 . 20 1 1 A 21 21 LEU H H 21 7.026 7.081 -0.055 1
1 136 . 20 1 1 A 21 21 LEU HA H 21 3.885 4.010 -0.125 1
1 146 . 20 1 1 A 21 21 LEU C C 21 177.599 178.368 -0.769 1
1 147 . 20 1 1 A 21 21 LEU CA C 21 58.435 57.171 1.264 1
1 148 . 20 1 1 A 21 21 LEU CB C 21 37.236 40.867 -3.631 1
1 152 . 20 1 1 A 21 21 LEU N N 21 116.369 116.986 -0.617 1
1 153 . 20 1 1 A 22 22 GLU H H 22 7.611 8.375 -0.764 1
1 154 . 20 1 1 A 22 22 GLU HA H 22 4.309 4.155 0.154 1
1 159 . 20 1 1 A 22 22 GLU C C 22 180.755 179.330 1.425 1
1 160 . 20 1 1 A 22 22 GLU CA C 22 59.887 60.003 -0.116 1
1 161 . 20 1 1 A 22 22 GLU CB C 22 29.715 29.370 0.345 1
1 163 . 20 1 1 A 22 22 GLU N N 22 119.345 119.364 -0.019 1
1 164 . 20 1 1 A 23 23 ARG H H 23 8.662 8.202 0.460 1
1 165 . 20 1 1 A 23 23 ARG HA H 23 4.143 4.155 -0.012 1
1 172 . 20 1 1 A 23 23 ARG C C 23 179.115 178.857 0.258 1
1 173 . 20 1 1 A 23 23 ARG CA C 23 59.453 59.458 -0.005 1
1 174 . 20 1 1 A 23 23 ARG CB C 23 30.628 30.371 0.257 1
1 177 . 20 1 1 A 23 23 ARG N N 23 119.060 119.397 -0.337 1
1 178 . 20 1 1 A 24 24 TYR H H 24 7.798 7.879 -0.081 1
1 179 . 20 1 1 A 24 24 TYR HA H 24 4.349 4.431 -0.082 1
1 186 . 20 1 1 A 24 24 TYR C C 24 178.627 177.977 0.650 1
1 187 . 20 1 1 A 24 24 TYR CA C 24 61.883 61.784 0.099 1
1 188 . 20 1 1 A 24 24 TYR CB C 24 39.326 39.021 0.305 1
1 193 . 20 1 1 A 24 24 TYR N N 24 122.046 120.640 1.406 1
1 194 . 20 1 1 A 25 25 TRP H H 25 9.612 8.129 1.483 1
1 195 . 20 1 1 A 25 25 TRP HA H 25 4.680 4.453 0.227 1
1 204 . 20 1 1 A 25 25 TRP C C 25 178.218 178.947 -0.729 1
1 205 . 20 1 1 A 25 25 TRP CA C 25 60.775 61.076 -0.301 1
1 206 . 20 1 1 A 25 25 TRP CB C 25 29.956 30.000 -0.044 1
1 212 . 20 1 1 A 25 25 TRP N N 25 121.351 121.549 -0.198 1
1 214 . 20 1 1 A 26 26 ALA H H 26 8.336 8.254 0.082 1
1 215 . 20 1 1 A 26 26 ALA HA H 26 3.911 4.139 -0.228 1
1 219 . 20 1 1 A 26 26 ALA C C 26 178.850 178.792 0.058 1
1 220 . 20 1 1 A 26 26 ALA CA C 26 54.720 53.617 1.103 1
1 221 . 20 1 1 A 26 26 ALA CB C 26 18.147 18.419 -0.272 1
1 222 . 20 1 1 A 26 26 ALA N N 26 118.991 121.397 -2.406 1
1 223 . 20 1 1 A 27 27 ALA H H 27 7.261 7.768 -0.507 1
1 224 . 20 1 1 A 27 27 ALA HA H 27 4.071 4.329 -0.258 1
1 228 . 20 1 1 A 27 27 ALA C C 27 178.433 179.030 -0.597 1
1 229 . 20 1 1 A 27 27 ALA CA C 27 53.440 53.849 -0.409 1
1 230 . 20 1 1 A 27 27 ALA CB C 27 18.789 20.064 -1.275 1
1 231 . 20 1 1 A 27 27 ALA N N 27 116.928 119.925 -2.997 1
1 232 . 20 1 1 A 28 28 HIS H H 28 7.810 8.277 -0.467 1
1 233 . 20 1 1 A 28 28 HIS HA H 28 4.574 4.432 0.142 1
1 238 . 20 1 1 A 28 28 HIS C C 28 175.351 174.990 0.361 1
1 239 . 20 1 1 A 28 28 HIS CA C 28 56.709 57.136 -0.427 1
1 240 . 20 1 1 A 28 28 HIS CB C 28 31.928 30.437 1.491 1
1 243 . 20 1 1 A 28 28 HIS N N 28 113.337 113.812 -0.475 1
1 244 . 20 1 1 A 29 29 GLN H H 29 8.811 7.684 1.127 1
1 245 . 20 1 1 A 29 29 GLN HA H 29 2.344 3.265 -0.921 1
1 251 . 20 1 1 A 29 29 GLN C C 29 173.677 174.217 -0.540 1
1 252 . 20 1 1 A 29 29 GLN CA C 29 57.111 56.469 0.642 1
1 253 . 20 1 1 A 29 29 GLN CB C 29 26.795 27.150 -0.355 1
1 255 . 20 1 1 A 29 29 GLN N N 29 115.607 118.351 -2.744 1
1 257 . 20 1 1 A 30 30 GLN H H 30 7.465 7.446 0.019 1
1 258 . 20 1 1 A 30 30 GLN HA H 30 4.607 4.856 -0.249 1
1 265 . 20 1 1 A 30 30 GLN C C 30 173.052 173.012 0.040 1
1 266 . 20 1 1 A 30 30 GLN CA C 30 54.807 54.820 -0.013 1
1 267 . 20 1 1 A 30 30 GLN CB C 30 30.766 30.715 0.051 1
1 269 . 20 1 1 A 30 30 GLN N N 30 112.695 114.363 -1.668 1
1 271 . 20 1 1 A 31 31 LEU H H 31 8.805 8.937 -0.132 1
1 272 . 20 1 1 A 31 31 LEU HA H 31 4.440 5.088 -0.648 1
1 282 . 20 1 1 A 31 31 LEU C C 31 176.017 174.468 1.549 1
1 283 . 20 1 1 A 31 31 LEU CA C 31 54.608 53.450 1.158 1
1 284 . 20 1 1 A 31 31 LEU CB C 31 42.819 46.150 -3.331 1
1 288 . 20 1 1 A 31 31 LEU N N 31 121.685 122.856 -1.171 1
1 289 . 20 1 1 A 32 32 ARG H H 32 7.422 8.533 -1.111 1
1 290 . 20 1 1 A 32 32 ARG HA H 32 4.574 4.875 -0.301 1
1 297 . 20 1 1 A 32 32 ARG C C 32 177.277 176.594 0.683 1
1 298 . 20 1 1 A 32 32 ARG CA C 32 55.071 53.907 1.164 1
1 299 . 20 1 1 A 32 32 ARG CB C 32 29.854 33.316 -3.462 1
1 302 . 20 1 1 A 32 32 ARG N N 32 126.338 125.070 1.268 1
1 303 . 20 1 1 A 33 33 GLU H H 33 9.164 9.031 0.133 1
1 304 . 20 1 1 A 33 33 GLU HA H 33 3.766 4.033 -0.267 1
1 309 . 20 1 1 A 33 33 GLU C C 33 178.939 178.022 0.917 1
1 310 . 20 1 1 A 33 33 GLU CA C 33 60.097 59.262 0.835 1
1 311 . 20 1 1 A 33 33 GLU CB C 33 29.340 29.315 0.025 1
1 313 . 20 1 1 A 33 33 GLU N N 33 126.822 123.466 3.356 1
1 314 . 20 1 1 A 34 34 THR H H 34 7.785 7.926 -0.141 1
1 315 . 20 1 1 A 34 34 THR HA H 34 4.055 4.059 -0.004 1
1 320 . 20 1 1 A 34 34 THR C C 34 175.387 175.770 -0.383 1
1 321 . 20 1 1 A 34 34 THR CA C 34 63.631 64.972 -1.341 1
1 322 . 20 1 1 A 34 34 THR CB C 34 68.560 68.630 -0.070 1
1 324 . 20 1 1 A 34 34 THR N N 34 108.953 112.923 -3.970 1
1 325 . 20 1 1 A 35 35 ASP H H 35 7.841 8.222 -0.381 1
1 326 . 20 1 1 A 35 35 ASP HA H 35 4.928 4.447 0.481 1
1 329 . 20 1 1 A 35 35 ASP C C 35 175.827 177.717 -1.890 1
1 330 . 20 1 1 A 35 35 ASP CA C 35 55.169 55.161 0.008 1
1 331 . 20 1 1 A 35 35 ASP CB C 35 41.057 41.080 -0.023 1
1 332 . 20 1 1 A 35 35 ASP N N 35 119.019 121.825 -2.806 1
1 333 . 20 1 1 A 36 36 ILE H H 36 7.388 7.716 -0.328 1
1 334 . 20 1 1 A 36 36 ILE HA H 36 3.495 3.650 -0.155 1
1 344 . 20 1 1 A 36 36 ILE C C 36 174.161 175.192 -1.031 1
1 345 . 20 1 1 A 36 36 ILE CA C 36 67.912 66.219 1.693 1
1 346 . 20 1 1 A 36 36 ILE CB C 36 35.457 35.480 -0.023 1
1 350 . 20 1 1 A 36 36 ILE N N 36 119.567 121.330 -1.763 1
1 351 . 20 1 1 A 37 37 PRO HA H 37 4.232 4.270 -0.038 1
1 358 . 20 1 1 A 37 37 PRO C C 37 179.572 178.807 0.765 1
1 359 . 20 1 1 A 37 37 PRO CA C 37 66.890 65.742 1.148 1
1 360 . 20 1 1 A 37 37 PRO CB C 37 30.704 30.453 0.251 1
1 363 . 20 1 1 A 38 38 GLN H H 38 7.837 8.029 -0.192 1
1 364 . 20 1 1 A 38 38 GLN HA H 38 4.143 4.045 0.098 1
1 371 . 20 1 1 A 38 38 GLN C C 38 178.918 178.407 0.511 1
1 372 . 20 1 1 A 38 38 GLN CA C 38 59.171 58.930 0.241 1
1 373 . 20 1 1 A 38 38 GLN CB C 38 27.986 28.308 -0.322 1
1 375 . 20 1 1 A 38 38 GLN N N 38 117.627 117.474 0.153 1
1 377 . 20 1 1 A 39 39 LEU H H 39 7.991 8.344 -0.353 1
1 378 . 20 1 1 A 39 39 LEU HA H 39 3.995 3.911 0.084 1
1 388 . 20 1 1 A 39 39 LEU C C 39 180.831 178.482 2.349 1
1 389 . 20 1 1 A 39 39 LEU CA C 39 57.722 57.614 0.108 1
1 390 . 20 1 1 A 39 39 LEU CB C 39 42.314 41.647 0.667 1
1 394 . 20 1 1 A 39 39 LEU N N 39 121.128 120.391 0.737 1
1 395 . 20 1 1 A 40 40 SER H H 40 8.980 8.129 0.851 1
1 396 . 20 1 1 A 40 40 SER HA H 40 4.086 3.983 0.103 1
1 399 . 20 1 1 A 40 40 SER C C 40 176.517 176.960 -0.443 1
1 400 . 20 1 1 A 40 40 SER CA C 40 60.859 61.440 -0.581 1
1 401 . 20 1 1 A 40 40 SER CB C 40 63.255 62.945 0.310 1
1 402 . 20 1 1 A 40 40 SER N N 40 117.510 113.337 4.173 1
1 403 . 20 1 1 A 41 41 GLN H H 41 8.074 7.348 0.726 1
1 404 . 20 1 1 A 41 41 GLN HA H 41 4.014 4.056 -0.042 1
1 411 . 20 1 1 A 41 41 GLN C C 41 178.637 178.323 0.314 1
1 412 . 20 1 1 A 41 41 GLN CA C 41 58.955 58.270 0.685 1
1 413 . 20 1 1 A 41 41 GLN CB C 41 28.421 28.210 0.211 1
1 415 . 20 1 1 A 41 41 GLN N N 41 120.218 121.446 -1.228 1
1 417 . 20 1 1 A 42 42 ALA H H 42 8.149 8.160 -0.011 1
1 418 . 20 1 1 A 42 42 ALA HA H 42 4.162 4.159 0.003 1
1 422 . 20 1 1 A 42 42 ALA C C 42 178.442 179.557 -1.115 1
1 423 . 20 1 1 A 42 42 ALA CA C 42 54.567 55.066 -0.499 1
1 424 . 20 1 1 A 42 42 ALA CB C 42 19.202 18.415 0.787 1
1 425 . 20 1 1 A 42 42 ALA N N 42 118.903 122.321 -3.418 1
1 426 . 20 1 1 A 43 43 SER H H 43 7.784 7.891 -0.107 1
1 427 . 20 1 1 A 43 43 SER HA H 43 4.851 4.845 0.006 1
1 430 . 20 1 1 A 43 43 SER C C 43 175.304 173.293 2.011 1
1 431 . 20 1 1 A 43 43 SER CA C 43 59.180 57.946 1.234 1
1 432 . 20 1 1 A 43 43 SER CB C 43 66.897 63.019 3.878 1
1 433 . 20 1 1 A 43 43 SER N N 43 109.522 111.931 -2.409 1
1 434 . 20 1 1 A 44 44 ARG H H 44 7.799 7.505 0.294 1
1 435 . 20 1 1 A 44 44 ARG HA H 44 3.872 3.833 0.039 1
1 441 . 20 1 1 A 44 44 ARG C C 44 175.312 174.603 0.709 1
1 442 . 20 1 1 A 44 44 ARG CA C 44 58.582 57.273 1.309 1
1 443 . 20 1 1 A 44 44 ARG CB C 44 26.661 26.916 -0.255 1
1 446 . 20 1 1 A 44 44 ARG N N 44 114.335 117.989 -3.654 1
1 447 . 20 1 1 A 45 45 LEU H H 45 7.759 7.542 0.217 1
1 448 . 20 1 1 A 45 45 LEU HA H 45 4.571 4.914 -0.343 1
1 458 . 20 1 1 A 45 45 LEU C C 45 177.069 176.590 0.479 1
1 459 . 20 1 1 A 45 45 LEU CA C 45 53.471 53.106 0.365 1
1 460 . 20 1 1 A 45 45 LEU CB C 45 43.845 44.285 -0.440 1
1 464 . 20 1 1 A 45 45 LEU N N 45 120.316 118.814 1.502 1
1 465 . 20 1 1 A 46 46 SER H H 46 9.062 8.657 0.405 1
1 466 . 20 1 1 A 46 46 SER HA H 46 4.446 4.912 -0.466 1
1 469 . 20 1 1 A 46 46 SER C C 46 174.731 176.074 -1.343 1
1 470 . 20 1 1 A 46 46 SER CA C 46 57.302 56.761 0.541 1
1 471 . 20 1 1 A 46 46 SER CB C 46 65.202 65.507 -0.305 1
1 472 . 20 1 1 A 46 46 SER N N 46 117.855 113.423 4.432 1
1 473 . 20 1 1 A 47 47 THR H H 47 8.770 8.771 -0.001 1
1 474 . 20 1 1 A 47 47 THR HA H 47 3.578 3.867 -0.289 1
1 479 . 20 1 1 A 47 47 THR C C 47 176.003 176.283 -0.280 1
1 480 . 20 1 1 A 47 47 THR CA C 47 67.477 65.772 1.705 1
1 481 . 20 1 1 A 47 47 THR CB C 47 68.317 68.638 -0.321 1
1 483 . 20 1 1 A 47 47 THR N N 47 115.428 117.511 -2.083 1
1 484 . 20 1 1 A 48 48 GLN H H 48 8.292 7.877 0.415 1
1 485 . 20 1 1 A 48 48 GLN HA H 48 3.890 4.006 -0.116 1
1 492 . 20 1 1 A 48 48 GLN C C 48 177.625 178.090 -0.465 1
1 493 . 20 1 1 A 48 48 GLN CA C 48 58.482 59.039 -0.557 1
1 494 . 20 1 1 A 48 48 GLN CB C 48 28.614 28.497 0.117 1
1 496 . 20 1 1 A 48 48 GLN N N 48 119.078 119.695 -0.617 1
1 498 . 20 1 1 A 49 49 GLN H H 49 7.765 8.171 -0.406 1
1 499 . 20 1 1 A 49 49 GLN HA H 49 4.153 3.968 0.185 1
1 506 . 20 1 1 A 49 49 GLN C C 49 180.153 178.949 1.204 1
1 507 . 20 1 1 A 49 49 GLN CA C 49 58.927 59.284 -0.357 1
1 508 . 20 1 1 A 49 49 GLN CB C 49 30.030 28.216 1.814 1
1 510 . 20 1 1 A 49 49 GLN N N 49 117.667 118.671 -1.004 1
1 512 . 20 1 1 A 50 50 VAL H H 50 8.465 7.730 0.735 1
1 513 . 20 1 1 A 50 50 VAL HA H 50 3.620 3.751 -0.131 1
1 521 . 20 1 1 A 50 50 VAL C C 50 177.691 178.240 -0.549 1
1 522 . 20 1 1 A 50 50 VAL CA C 50 67.588 66.560 1.028 1
1 523 . 20 1 1 A 50 50 VAL CB C 50 31.470 31.501 -0.031 1
1 526 . 20 1 1 A 50 50 VAL N N 50 122.227 120.078 2.149 1
1 527 . 20 1 1 A 51 51 LEU H H 51 8.119 7.756 0.363 1
1 528 . 20 1 1 A 51 51 LEU HA H 51 3.975 3.969 0.006 1
1 538 . 20 1 1 A 51 51 LEU C C 51 179.950 179.083 0.867 1
1 539 . 20 1 1 A 51 51 LEU CA C 51 59.206 58.312 0.894 1
1 540 . 20 1 1 A 51 51 LEU CB C 51 41.515 41.275 0.240 1
1 544 . 20 1 1 A 51 51 LEU N N 51 120.724 119.385 1.339 1
1 545 . 20 1 1 A 52 52 ASP H H 52 8.780 8.178 0.602 1
1 546 . 20 1 1 A 52 52 ASP HA H 52 4.344 4.404 -0.060 1
1 549 . 20 1 1 A 52 52 ASP C C 52 178.654 178.457 0.197 1
1 550 . 20 1 1 A 52 52 ASP CA C 52 57.310 57.165 0.145 1
1 551 . 20 1 1 A 52 52 ASP CB C 52 40.418 40.507 -0.089 1
1 552 . 20 1 1 A 52 52 ASP N N 52 118.559 118.802 -0.243 1
1 553 . 20 1 1 A 53 53 TRP H H 53 8.180 8.061 0.119 1
1 554 . 20 1 1 A 53 53 TRP HA H 53 3.905 4.296 -0.391 1
1 563 . 20 1 1 A 53 53 TRP C C 53 180.216 177.993 2.223 1
1 564 . 20 1 1 A 53 53 TRP CA C 53 62.801 61.051 1.750 1
1 565 . 20 1 1 A 53 53 TRP CB C 53 29.117 30.624 -1.507 1
1 571 . 20 1 1 A 53 53 TRP N N 53 123.121 121.811 1.310 1
1 573 . 20 1 1 A 54 54 PHE H H 54 8.371 8.335 0.036 1
1 574 . 20 1 1 A 54 54 PHE HA H 54 3.786 3.957 -0.171 1
1 582 . 20 1 1 A 54 54 PHE C C 54 178.605 177.401 1.204 1
1 583 . 20 1 1 A 54 54 PHE CA C 54 63.242 62.281 0.961 1
1 584 . 20 1 1 A 54 54 PHE CB C 54 39.446 38.508 0.938 1
1 590 . 20 1 1 A 54 54 PHE N N 54 117.319 117.435 -0.116 1
1 591 . 20 1 1 A 55 55 ASP H H 55 8.609 8.079 0.530 1
1 592 . 20 1 1 A 55 55 ASP HA H 55 4.499 4.471 0.028 1
1 595 . 20 1 1 A 55 55 ASP C C 55 177.993 177.895 0.098 1
1 596 . 20 1 1 A 55 55 ASP CA C 55 57.370 57.202 0.168 1
1 597 . 20 1 1 A 55 55 ASP CB C 55 41.096 41.783 -0.687 1
1 598 . 20 1 1 A 55 55 ASP N N 55 120.805 120.188 0.617 1
1 599 . 20 1 1 A 56 56 SER H H 56 7.450 7.828 -0.378 1
1 600 . 20 1 1 A 56 56 SER HA H 56 4.236 4.259 -0.023 1
1 603 . 20 1 1 A 56 56 SER C C 56 174.228 174.906 -0.678 1
1 604 . 20 1 1 A 56 56 SER CA C 56 59.538 60.551 -1.013 1
1 605 . 20 1 1 A 56 56 SER CB C 56 63.340 63.121 0.219 1
1 606 . 20 1 1 A 56 56 SER N N 56 111.640 115.700 -4.060 1
1 607 . 20 1 1 A 57 57 ARG H H 57 7.061 7.154 -0.093 1
1 608 . 20 1 1 A 57 57 ARG HA H 57 3.803 3.913 -0.110 1
1 615 . 20 1 1 A 57 57 ARG C C 57 175.909 178.297 -2.388 1
1 616 . 20 1 1 A 57 57 ARG CA C 57 55.254 57.394 -2.140 1
1 617 . 20 1 1 A 57 57 ARG CB C 57 30.216 29.435 0.781 1
1 620 . 20 1 1 A 57 57 ARG N N 57 120.670 120.663 0.007 1
1 621 . 20 1 1 A 58 58 LEU H H 58 7.519 7.712 -0.193 1
1 622 . 20 1 1 A 58 58 LEU HA H 58 4.611 4.244 0.367 1
1 632 . 20 1 1 A 58 58 LEU C C 58 174.867 177.643 -2.776 1
1 633 . 20 1 1 A 58 58 LEU CA C 58 53.322 60.159 -6.837 1
1 634 . 20 1 1 A 58 58 LEU CB C 58 41.891 40.057 1.834 1
1 638 . 20 1 1 A 58 58 LEU N N 58 122.146 119.300 2.846 1
1 639 . 20 1 1 A 59 59 PRO HA H 59 4.489 4.579 -0.090 1
1 645 . 20 1 1 A 59 59 PRO C C 59 176.849 176.896 -0.047 1
1 646 . 20 1 1 A 59 59 PRO CA C 59 63.047 62.638 0.409 1
1 647 . 20 1 1 A 59 59 PRO CB C 59 32.066 30.884 1.182 1
1 650 . 20 1 1 A 60 60 GLN H H 60 8.496 8.276 0.220 1
1 651 . 20 1 1 A 60 60 GLN HA H 60 4.595 4.320 0.275 1
1 658 . 20 1 1 A 60 60 GLN C C 60 174.178 174.708 -0.530 1
1 659 . 20 1 1 A 60 60 GLN CA C 60 53.464 54.863 -1.399 1
1 660 . 20 1 1 A 60 60 GLN CB C 60 28.989 28.786 0.203 1
1 662 . 20 1 1 A 60 60 GLN N N 60 121.828 122.551 -0.723 1
1 664 . 20 1 1 A 61 61 PRO HA H 61 4.397 4.534 -0.137 1
1 670 . 20 1 1 A 61 61 PRO C C 61 176.634 175.661 0.973 1
1 671 . 20 1 1 A 61 61 PRO CA C 61 63.150 62.405 0.745 1
1 672 . 20 1 1 A 61 61 PRO CB C 61 32.103 32.876 -0.773 1
1 675 . 20 1 1 A 62 62 ALA H H 62 8.445 8.290 0.155 1
1 676 . 20 1 1 A 62 62 ALA HA H 62 4.280 4.521 -0.241 1
1 680 . 20 1 1 A 62 62 ALA C C 62 177.871 176.659 1.212 1
1 681 . 20 1 1 A 62 62 ALA CA C 62 52.522 51.442 1.080 1
1 682 . 20 1 1 A 62 62 ALA CB C 62 19.309 19.365 -0.056 1
1 683 . 20 1 1 A 62 62 ALA N N 62 124.460 123.410 1.050 1
1 684 . 20 1 1 A 63 63 GLU H H 63 8.410 8.788 -0.378 1
1 685 . 20 1 1 A 63 63 GLU HA H 63 4.287 4.388 -0.101 1
1 689 . 20 1 1 A 63 63 GLU C C 63 176.521 176.854 -0.333 1
1 690 . 20 1 1 A 63 63 GLU CA C 63 56.478 56.834 -0.356 1
1 691 . 20 1 1 A 63 63 GLU CB C 63 30.371 30.435 -0.064 1
1 693 . 20 1 1 A 63 63 GLU N N 63 120.216 124.240 -4.024 1
1 694 . 20 1 1 A 64 64 VAL H H 64 8.221 8.874 -0.653 1
1 695 . 20 1 1 A 64 64 VAL HA H 64 4.177 4.437 -0.260 1
1 703 . 20 1 1 A 64 64 VAL C C 64 176.179 175.010 1.169 1
1 704 . 20 1 1 A 64 64 VAL CA C 64 62.212 61.728 0.484 1
1 705 . 20 1 1 A 64 64 VAL CB C 64 32.875 33.491 -0.616 1
1 708 . 20 1 1 A 64 64 VAL N N 64 121.436 122.272 -0.836 1
1 709 . 20 1 1 A 65 65 SER H H 65 8.421 7.720 0.701 1
1 710 . 20 1 1 A 65 65 SER HA H 65 4.500 4.692 -0.192 1
1 713 . 20 1 1 A 65 65 SER C C 65 174.560 173.697 0.863 1
1 714 . 20 1 1 A 65 65 SER CA C 65 58.411 56.794 1.617 1
1 715 . 20 1 1 A 65 65 SER CB C 65 63.999 64.660 -0.661 1
1 716 . 20 1 1 A 65 65 SER N N 65 119.752 117.827 1.925 1
1 717 . 20 1 1 A 66 66 GLY H H 66 8.268 8.331 -0.063 1
1 718 . 20 1 1 A 66 66 GLY HA2 H 66 4.065 4.053 0.012 1
1 719 . 20 1 1 A 66 66 GLY HA3 H 66 4.191 4.054 0.137 1
1 720 . 20 1 1 A 66 66 GLY C C 66 171.744 173.999 -2.255 1
1 721 . 20 1 1 A 66 66 GLY CA C 66 44.679 45.839 -1.160 1
1 722 . 20 1 1 A 66 66 GLY N N 66 110.950 113.519 -2.569 1
1 723 . 20 1 1 A 67 67 PRO HA H 67 4.481 4.694 -0.213 1
1 728 . 20 1 1 A 67 67 PRO C C 67 177.427 175.219 2.208 1
1 729 . 20 1 1 A 67 67 PRO CA C 67 63.264 62.775 0.489 1
1 730 . 20 1 1 A 67 67 PRO CB C 67 32.200 31.424 0.776 1
1 733 . 20 1 1 A 68 68 SER H H 68 8.543 8.864 -0.321 1
1 734 . 20 1 1 A 68 68 SER HA H 68 4.559 4.878 -0.319 1
1 737 . 20 1 1 A 68 68 SER C C 68 174.726 172.220 2.506 1
1 738 . 20 1 1 A 68 68 SER CA C 68 58.368 57.815 0.553 1
1 739 . 20 1 1 A 68 68 SER CB C 68 63.934 65.756 -1.822 1
1 740 . 20 1 1 A 68 68 SER N N 68 116.507 119.113 -2.606 1
1 741 . 20 1 1 A 69 69 SER H H 69 8.349 8.929 -0.580 1
1 742 . 20 1 1 A 69 69 SER HA H 69 4.507 4.708 -0.201 1
1 745 . 20 1 1 A 69 69 SER C C 69 173.960 173.809 0.151 1
1 746 . 20 1 1 A 69 69 SER CA C 69 58.355 57.047 1.308 1
1 747 . 20 1 1 A 69 69 SER CB C 69 63.993 63.527 0.466 1
1 748 . 20 1 1 A 69 69 SER N N 69 117.971 123.609 -5.638 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 60 1.113 1
2 1 1 1 "RMS(OBS, PRED)" CA 60 1.137 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 1.209 1
4 1 1 1 "RMS(OBS, PRED)" H 51 0.483 1
5 1 1 1 "RMS(OBS, PRED)" HA 61 0.245 1
6 1 1 1 "RMS(OBS, PRED)" N 51 2.656 1
7 1 2 1 "RMS(OBS, PRED)" C 60 1.098 1
8 1 2 1 "RMS(OBS, PRED)" CA 60 1.060 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 1.335 1
10 1 2 1 "RMS(OBS, PRED)" H 51 0.473 1
11 1 2 1 "RMS(OBS, PRED)" HA 61 0.251 1
12 1 2 1 "RMS(OBS, PRED)" N 51 2.605 1
13 1 3 1 "RMS(OBS, PRED)" C 60 1.012 1
14 1 3 1 "RMS(OBS, PRED)" CA 60 1.051 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 1.235 1
16 1 3 1 "RMS(OBS, PRED)" H 51 0.493 1
17 1 3 1 "RMS(OBS, PRED)" HA 61 0.227 1
18 1 3 1 "RMS(OBS, PRED)" N 51 2.624 1
19 1 4 1 "RMS(OBS, PRED)" C 60 1.121 1
20 1 4 1 "RMS(OBS, PRED)" CA 60 1.058 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 1.358 1
22 1 4 1 "RMS(OBS, PRED)" H 51 0.451 1
23 1 4 1 "RMS(OBS, PRED)" HA 61 0.281 1
24 1 4 1 "RMS(OBS, PRED)" N 51 2.685 1
25 1 5 1 "RMS(OBS, PRED)" C 60 1.142 1
26 1 5 1 "RMS(OBS, PRED)" CA 60 1.058 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 1.308 1
28 1 5 1 "RMS(OBS, PRED)" H 51 0.473 1
29 1 5 1 "RMS(OBS, PRED)" HA 61 0.269 1
30 1 5 1 "RMS(OBS, PRED)" N 51 2.568 1
31 1 6 1 "RMS(OBS, PRED)" C 60 1.104 1
32 1 6 1 "RMS(OBS, PRED)" CA 60 1.096 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 1.349 1
34 1 6 1 "RMS(OBS, PRED)" H 51 0.499 1
35 1 6 1 "RMS(OBS, PRED)" HA 61 0.273 1
36 1 6 1 "RMS(OBS, PRED)" N 51 3.132 1
37 1 7 1 "RMS(OBS, PRED)" C 60 1.054 1
38 1 7 1 "RMS(OBS, PRED)" CA 60 1.061 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 1.196 1
40 1 7 1 "RMS(OBS, PRED)" H 51 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 61 0.266 1
42 1 7 1 "RMS(OBS, PRED)" N 51 2.727 1
43 1 8 1 "RMS(OBS, PRED)" C 60 1.160 1
44 1 8 1 "RMS(OBS, PRED)" CA 60 1.086 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 1.318 1
46 1 8 1 "RMS(OBS, PRED)" H 51 0.449 1
47 1 8 1 "RMS(OBS, PRED)" HA 61 0.262 1
48 1 8 1 "RMS(OBS, PRED)" N 51 2.564 1
49 1 9 1 "RMS(OBS, PRED)" C 60 1.115 1
50 1 9 1 "RMS(OBS, PRED)" CA 60 1.234 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 1.319 1
52 1 9 1 "RMS(OBS, PRED)" H 51 0.492 1
53 1 9 1 "RMS(OBS, PRED)" HA 61 0.277 1
54 1 9 1 "RMS(OBS, PRED)" N 51 2.954 1
55 1 10 1 "RMS(OBS, PRED)" C 60 1.050 1
56 1 10 1 "RMS(OBS, PRED)" CA 60 1.190 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 1.367 1
58 1 10 1 "RMS(OBS, PRED)" H 51 0.481 1
59 1 10 1 "RMS(OBS, PRED)" HA 61 0.261 1
60 1 10 1 "RMS(OBS, PRED)" N 51 2.543 1
61 1 11 1 "RMS(OBS, PRED)" C 60 1.083 1
62 1 11 1 "RMS(OBS, PRED)" CA 60 1.097 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 1.308 1
64 1 11 1 "RMS(OBS, PRED)" H 51 0.478 1
65 1 11 1 "RMS(OBS, PRED)" HA 61 0.267 1
66 1 11 1 "RMS(OBS, PRED)" N 51 2.591 1
67 1 12 1 "RMS(OBS, PRED)" C 60 1.085 1
68 1 12 1 "RMS(OBS, PRED)" CA 60 1.047 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 1.248 1
70 1 12 1 "RMS(OBS, PRED)" H 51 0.456 1
71 1 12 1 "RMS(OBS, PRED)" HA 61 0.277 1
72 1 12 1 "RMS(OBS, PRED)" N 51 2.860 1
73 1 13 1 "RMS(OBS, PRED)" C 60 1.132 1
74 1 13 1 "RMS(OBS, PRED)" CA 60 1.158 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 1.174 1
76 1 13 1 "RMS(OBS, PRED)" H 51 0.487 1
77 1 13 1 "RMS(OBS, PRED)" HA 61 0.259 1
78 1 13 1 "RMS(OBS, PRED)" N 51 2.834 1
79 1 14 1 "RMS(OBS, PRED)" C 60 0.996 1
80 1 14 1 "RMS(OBS, PRED)" CA 60 0.927 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 1.280 1
82 1 14 1 "RMS(OBS, PRED)" H 51 0.467 1
83 1 14 1 "RMS(OBS, PRED)" HA 61 0.261 1
84 1 14 1 "RMS(OBS, PRED)" N 51 2.662 1
85 1 15 1 "RMS(OBS, PRED)" C 60 1.245 1
86 1 15 1 "RMS(OBS, PRED)" CA 60 1.060 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 1.355 1
88 1 15 1 "RMS(OBS, PRED)" H 51 0.514 1
89 1 15 1 "RMS(OBS, PRED)" HA 61 0.293 1
90 1 15 1 "RMS(OBS, PRED)" N 51 2.764 1
91 1 16 1 "RMS(OBS, PRED)" C 60 1.114 1
92 1 16 1 "RMS(OBS, PRED)" CA 60 1.092 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 1.340 1
94 1 16 1 "RMS(OBS, PRED)" H 51 0.508 1
95 1 16 1 "RMS(OBS, PRED)" HA 61 0.251 1
96 1 16 1 "RMS(OBS, PRED)" N 51 2.585 1
97 1 17 1 "RMS(OBS, PRED)" C 60 1.178 1
98 1 17 1 "RMS(OBS, PRED)" CA 60 1.116 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 1.145 1
100 1 17 1 "RMS(OBS, PRED)" H 51 0.483 1
101 1 17 1 "RMS(OBS, PRED)" HA 61 0.274 1
102 1 17 1 "RMS(OBS, PRED)" N 51 2.484 1
103 1 18 1 "RMS(OBS, PRED)" C 60 1.124 1
104 1 18 1 "RMS(OBS, PRED)" CA 60 1.080 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 1.154 1
106 1 18 1 "RMS(OBS, PRED)" H 51 0.489 1
107 1 18 1 "RMS(OBS, PRED)" HA 61 0.230 1
108 1 18 1 "RMS(OBS, PRED)" N 51 2.911 1
109 1 19 1 "RMS(OBS, PRED)" C 60 1.071 1
110 1 19 1 "RMS(OBS, PRED)" CA 60 1.227 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 1.197 1
112 1 19 1 "RMS(OBS, PRED)" H 51 0.485 1
113 1 19 1 "RMS(OBS, PRED)" HA 61 0.286 1
114 1 19 1 "RMS(OBS, PRED)" N 51 2.625 1
115 1 20 1 "RMS(OBS, PRED)" C 60 1.197 1
116 1 20 1 "RMS(OBS, PRED)" CA 60 1.346 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 1.218 1
118 1 20 1 "RMS(OBS, PRED)" H 51 0.505 1
119 1 20 1 "RMS(OBS, PRED)" HA 61 0.248 1
120 1 20 1 "RMS(OBS, PRED)" N 51 2.671 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 6 6 SER HA H 6 4.533 4.771 -0.238 2
1 4 . 1 1 A 6 6 SER C C 6 174.513 174.055 0.458 2
1 5 . 1 1 A 6 6 SER CA C 6 58.407 58.003 0.404 2
1 6 . 1 1 A 6 6 SER CB C 6 63.873 64.891 -1.018 2
1 7 . 1 1 A 7 7 GLY H H 7 8.204 8.377 -0.173 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 4.085 4.084 0.001 2
1 9 . 1 1 A 7 7 GLY C C 7 171.507 173.062 -1.555 2
1 10 . 1 1 A 7 7 GLY CA C 7 44.598 45.557 -0.959 2
1 11 . 1 1 A 7 7 GLY N N 7 110.772 110.464 0.308 2
1 12 . 1 1 A 8 8 PRO HA H 8 4.421 4.546 -0.125 2
1 17 . 1 1 A 8 8 PRO C C 8 176.943 176.629 0.314 2
1 18 . 1 1 A 8 8 PRO CA C 8 62.917 62.600 0.317 2
1 19 . 1 1 A 8 8 PRO CB C 8 32.101 32.089 0.012 2
1 22 . 1 1 A 9 9 LEU H H 9 8.334 8.294 0.040 2
1 23 . 1 1 A 9 9 LEU HA H 9 4.584 4.448 0.136 2
1 33 . 1 1 A 9 9 LEU C C 9 175.412 175.368 0.044 2
1 34 . 1 1 A 9 9 LEU CA C 9 53.030 53.528 -0.498 2
1 35 . 1 1 A 9 9 LEU CB C 9 41.804 41.810 -0.006 2
1 39 . 1 1 A 9 9 LEU N N 9 123.997 121.664 2.333 2
1 40 . 1 1 A 10 10 PRO HA H 10 4.425 4.580 -0.155 2
1 46 . 1 1 A 10 10 PRO C C 10 176.530 176.773 -0.243 2
1 47 . 1 1 A 10 10 PRO CA C 10 62.801 62.346 0.455 2
1 48 . 1 1 A 10 10 PRO CB C 10 31.871 32.545 -0.674 2
1 51 . 1 1 A 11 11 ILE H H 11 8.216 8.313 -0.097 2
1 52 . 1 1 A 11 11 ILE HA H 11 4.429 4.319 0.110 2
1 62 . 1 1 A 11 11 ILE C C 11 174.437 175.121 -0.684 2
1 63 . 1 1 A 11 11 ILE CA C 11 58.548 59.772 -1.224 2
1 64 . 1 1 A 11 11 ILE CB C 11 38.746 38.052 0.694 2
1 68 . 1 1 A 11 11 ILE N N 11 123.082 119.034 4.048 2
1 72 . 1 1 A 16 16 PRO HA H 16 4.575 4.553 0.022 2
1 78 . 1 1 A 16 16 PRO C C 16 175.885 175.195 0.690 2
1 79 . 1 1 A 16 16 PRO CA C 16 63.146 62.533 0.613 2
1 80 . 1 1 A 16 16 PRO CB C 16 32.894 32.511 0.383 2
1 83 . 1 1 A 17 17 ASP H H 17 8.822 8.372 0.450 2
1 84 . 1 1 A 17 17 ASP HA H 17 4.832 4.901 -0.069 2
1 87 . 1 1 A 17 17 ASP C C 17 174.878 176.089 -1.211 2
1 88 . 1 1 A 17 17 ASP CA C 17 52.473 53.171 -0.698 2
1 89 . 1 1 A 17 17 ASP CB C 17 42.755 41.790 0.965 2
1 90 . 1 1 A 17 17 ASP N N 17 121.885 120.270 1.615 2
1 91 . 1 1 A 18 18 ILE H H 18 8.259 8.556 -0.297 2
1 92 . 1 1 A 18 18 ILE HA H 18 3.889 3.902 -0.013 2
1 102 . 1 1 A 18 18 ILE C C 18 178.346 177.110 1.236 2
1 103 . 1 1 A 18 18 ILE CA C 18 59.806 61.620 -1.814 2
1 104 . 1 1 A 18 18 ILE CB C 18 38.247 38.264 -0.017 2
1 108 . 1 1 A 18 18 ILE N N 18 118.184 125.423 -7.239 2
1 109 . 1 1 A 19 19 GLN H H 19 8.404 7.975 0.429 2
1 110 . 1 1 A 19 19 GLN HA H 19 4.199 4.117 0.082 2
1 117 . 1 1 A 19 19 GLN C C 19 175.287 174.272 1.015 2
1 118 . 1 1 A 19 19 GLN CA C 19 60.889 60.789 0.100 2
1 119 . 1 1 A 19 19 GLN CB C 19 26.552 26.832 -0.280 2
1 121 . 1 1 A 19 19 GLN N N 19 123.230 122.161 1.069 2
1 123 . 1 1 A 20 20 PRO HA H 20 4.217 4.259 -0.042 2
1 130 . 1 1 A 20 20 PRO C C 20 179.677 179.488 0.189 2
1 131 . 1 1 A 20 20 PRO CA C 20 65.855 66.223 -0.368 2
1 132 . 1 1 A 20 20 PRO CB C 20 31.439 30.645 0.794 2
1 135 . 1 1 A 21 21 LEU H H 21 7.026 7.270 -0.244 2
1 136 . 1 1 A 21 21 LEU HA H 21 3.885 4.086 -0.201 2
1 146 . 1 1 A 21 21 LEU C C 21 177.599 178.420 -0.821 2
1 147 . 1 1 A 21 21 LEU CA C 21 58.435 57.285 1.150 2
1 148 . 1 1 A 21 21 LEU CB C 21 37.236 40.846 -3.610 2
1 152 . 1 1 A 21 21 LEU N N 21 116.369 117.036 -0.667 2
1 153 . 1 1 A 22 22 GLU H H 22 7.611 8.376 -0.764 2
1 154 . 1 1 A 22 22 GLU HA H 22 4.309 4.140 0.169 2
1 159 . 1 1 A 22 22 GLU C C 22 180.755 179.378 1.377 2
1 160 . 1 1 A 22 22 GLU CA C 22 59.887 59.962 -0.075 2
1 161 . 1 1 A 22 22 GLU CB C 22 29.715 29.414 0.301 2
1 163 . 1 1 A 22 22 GLU N N 22 119.345 119.013 0.332 2
1 164 . 1 1 A 23 23 ARG H H 23 8.662 8.188 0.474 2
1 165 . 1 1 A 23 23 ARG HA H 23 4.143 4.129 0.014 2
1 172 . 1 1 A 23 23 ARG C C 23 179.115 178.782 0.333 2
1 173 . 1 1 A 23 23 ARG CA C 23 59.453 59.514 -0.061 2
1 174 . 1 1 A 23 23 ARG CB C 23 30.628 30.251 0.377 2
1 177 . 1 1 A 23 23 ARG N N 23 119.060 119.340 -0.280 2
1 178 . 1 1 A 24 24 TYR H H 24 7.798 7.895 -0.097 2
1 179 . 1 1 A 24 24 TYR HA H 24 4.349 4.418 -0.069 2
1 186 . 1 1 A 24 24 TYR C C 24 178.627 177.785 0.842 2
1 187 . 1 1 A 24 24 TYR CA C 24 61.883 61.713 0.170 2
1 188 . 1 1 A 24 24 TYR CB C 24 39.326 38.829 0.497 2
1 193 . 1 1 A 24 24 TYR N N 24 122.046 120.669 1.377 2
1 194 . 1 1 A 25 25 TRP H H 25 9.612 8.419 1.193 2
1 195 . 1 1 A 25 25 TRP HA H 25 4.680 4.462 0.219 2
1 204 . 1 1 A 25 25 TRP C C 25 178.218 178.805 -0.587 2
1 205 . 1 1 A 25 25 TRP CA C 25 60.775 61.257 -0.482 2
1 206 . 1 1 A 25 25 TRP CB C 25 29.956 29.735 0.221 2
1 212 . 1 1 A 25 25 TRP N N 25 121.351 121.676 -0.325 2
1 214 . 1 1 A 26 26 ALA H H 26 8.336 8.323 0.013 2
1 215 . 1 1 A 26 26 ALA HA H 26 3.911 4.020 -0.109 2
1 219 . 1 1 A 26 26 ALA C C 26 178.850 179.033 -0.183 2
1 220 . 1 1 A 26 26 ALA CA C 26 54.720 53.859 0.861 2
1 221 . 1 1 A 26 26 ALA CB C 26 18.147 18.353 -0.206 2
1 222 . 1 1 A 26 26 ALA N N 26 118.991 121.287 -2.296 2
1 223 . 1 1 A 27 27 ALA H H 27 7.261 7.768 -0.507 2
1 224 . 1 1 A 27 27 ALA HA H 27 4.071 4.179 -0.108 2
1 228 . 1 1 A 27 27 ALA C C 27 178.433 179.050 -0.617 2
1 229 . 1 1 A 27 27 ALA CA C 27 53.440 54.324 -0.884 2
1 230 . 1 1 A 27 27 ALA CB C 27 18.789 19.447 -0.658 2
1 231 . 1 1 A 27 27 ALA N N 27 116.928 119.888 -2.960 2
1 232 . 1 1 A 28 28 HIS H H 28 7.810 8.033 -0.223 2
1 233 . 1 1 A 28 28 HIS HA H 28 4.574 4.456 0.118 2
1 238 . 1 1 A 28 28 HIS C C 28 175.351 174.788 0.563 2
1 239 . 1 1 A 28 28 HIS CA C 28 56.709 56.697 0.012 2
1 240 . 1 1 A 28 28 HIS CB C 28 31.928 30.747 1.181 2
1 243 . 1 1 A 28 28 HIS N N 28 113.337 112.484 0.853 2
1 244 . 1 1 A 29 29 GLN H H 29 8.811 7.791 1.020 2
1 245 . 1 1 A 29 29 GLN HA H 29 2.344 3.282 -0.938 2
1 251 . 1 1 A 29 29 GLN C C 29 173.677 174.200 -0.523 2
1 252 . 1 1 A 29 29 GLN CA C 29 57.111 56.530 0.581 2
1 253 . 1 1 A 29 29 GLN CB C 29 26.795 26.663 0.132 2
1 255 . 1 1 A 29 29 GLN N N 29 115.607 117.531 -1.924 2
1 257 . 1 1 A 30 30 GLN H H 30 7.465 7.571 -0.106 2
1 258 . 1 1 A 30 30 GLN HA H 30 4.607 4.959 -0.352 2
1 265 . 1 1 A 30 30 GLN C C 30 173.052 173.769 -0.717 2
1 266 . 1 1 A 30 30 GLN CA C 30 54.807 54.826 -0.019 2
1 267 . 1 1 A 30 30 GLN CB C 30 30.766 31.853 -1.087 2
1 269 . 1 1 A 30 30 GLN N N 30 112.695 115.292 -2.597 2
1 271 . 1 1 A 31 31 LEU H H 31 8.805 8.879 -0.074 2
1 272 . 1 1 A 31 31 LEU HA H 31 4.440 4.813 -0.373 2
1 282 . 1 1 A 31 31 LEU C C 31 176.017 175.022 0.995 2
1 283 . 1 1 A 31 31 LEU CA C 31 54.608 54.441 0.167 2
1 284 . 1 1 A 31 31 LEU CB C 31 42.819 43.957 -1.138 2
1 288 . 1 1 A 31 31 LEU N N 31 121.685 126.351 -4.666 2
1 289 . 1 1 A 32 32 ARG H H 32 7.422 8.590 -1.168 2
1 290 . 1 1 A 32 32 ARG HA H 32 4.574 4.802 -0.228 2
1 297 . 1 1 A 32 32 ARG C C 32 177.277 176.554 0.723 2
1 298 . 1 1 A 32 32 ARG CA C 32 55.071 53.989 1.082 2
1 299 . 1 1 A 32 32 ARG CB C 32 29.854 33.159 -3.305 2
1 302 . 1 1 A 32 32 ARG N N 32 126.338 125.289 1.049 2
1 303 . 1 1 A 33 33 GLU H H 33 9.164 9.037 0.127 2
1 304 . 1 1 A 33 33 GLU HA H 33 3.766 3.994 -0.228 2
1 309 . 1 1 A 33 33 GLU C C 33 178.939 178.307 0.632 2
1 310 . 1 1 A 33 33 GLU CA C 33 60.097 59.267 0.830 2
1 311 . 1 1 A 33 33 GLU CB C 33 29.340 29.274 0.066 2
1 313 . 1 1 A 33 33 GLU N N 33 126.822 123.393 3.429 2
1 314 . 1 1 A 34 34 THR H H 34 7.785 7.889 -0.104 2
1 315 . 1 1 A 34 34 THR HA H 34 4.055 4.048 0.007 2
1 320 . 1 1 A 34 34 THR C C 34 175.387 175.828 -0.441 2
1 321 . 1 1 A 34 34 THR CA C 34 63.631 65.302 -1.671 2
1 322 . 1 1 A 34 34 THR CB C 34 68.560 68.736 -0.175 2
1 324 . 1 1 A 34 34 THR N N 34 108.953 115.405 -6.452 2
1 325 . 1 1 A 35 35 ASP H H 35 7.841 8.124 -0.283 2
1 326 . 1 1 A 35 35 ASP HA H 35 4.928 4.445 0.483 2
1 329 . 1 1 A 35 35 ASP C C 35 175.827 177.785 -1.958 2
1 330 . 1 1 A 35 35 ASP CA C 35 55.169 55.156 0.013 2
1 331 . 1 1 A 35 35 ASP CB C 35 41.057 40.998 0.059 2
1 332 . 1 1 A 35 35 ASP N N 35 119.019 120.679 -1.660 2
1 333 . 1 1 A 36 36 ILE H H 36 7.388 7.812 -0.424 2
1 334 . 1 1 A 36 36 ILE HA H 36 3.495 3.639 -0.144 2
1 344 . 1 1 A 36 36 ILE C C 36 174.161 175.202 -1.041 2
1 345 . 1 1 A 36 36 ILE CA C 36 67.912 66.287 1.625 2
1 346 . 1 1 A 36 36 ILE CB C 36 35.457 35.526 -0.069 2
1 350 . 1 1 A 36 36 ILE N N 36 119.567 121.022 -1.455 2
1 351 . 1 1 A 37 37 PRO HA H 37 4.232 4.284 -0.052 2
1 358 . 1 1 A 37 37 PRO C C 37 179.572 178.779 0.793 2
1 359 . 1 1 A 37 37 PRO CA C 37 66.890 65.621 1.269 2
1 360 . 1 1 A 37 37 PRO CB C 37 30.704 30.634 0.070 2
1 363 . 1 1 A 38 38 GLN H H 38 7.837 8.070 -0.233 2
1 364 . 1 1 A 38 38 GLN HA H 38 4.143 4.051 0.092 2
1 371 . 1 1 A 38 38 GLN C C 38 178.918 178.293 0.625 2
1 372 . 1 1 A 38 38 GLN CA C 38 59.171 58.886 0.285 2
1 373 . 1 1 A 38 38 GLN CB C 38 27.986 28.246 -0.260 2
1 375 . 1 1 A 38 38 GLN N N 38 117.627 117.469 0.158 2
1 377 . 1 1 A 39 39 LEU H H 39 7.991 8.257 -0.266 2
1 378 . 1 1 A 39 39 LEU HA H 39 3.995 3.997 -0.002 2
1 388 . 1 1 A 39 39 LEU C C 39 180.831 178.731 2.100 2
1 389 . 1 1 A 39 39 LEU CA C 39 57.722 57.554 0.168 2
1 390 . 1 1 A 39 39 LEU CB C 39 42.314 41.512 0.802 2
1 394 . 1 1 A 39 39 LEU N N 39 121.128 119.896 1.232 2
1 395 . 1 1 A 40 40 SER H H 40 8.980 8.112 0.868 2
1 396 . 1 1 A 40 40 SER HA H 40 4.086 4.062 0.024 2
1 399 . 1 1 A 40 40 SER C C 40 176.517 177.033 -0.516 2
1 400 . 1 1 A 40 40 SER CA C 40 60.859 61.367 -0.508 2
1 401 . 1 1 A 40 40 SER CB C 40 63.255 62.940 0.315 2
1 402 . 1 1 A 40 40 SER N N 40 117.510 113.703 3.807 2
1 403 . 1 1 A 41 41 GLN H H 41 8.074 7.700 0.374 2
1 404 . 1 1 A 41 41 GLN HA H 41 4.014 4.068 -0.054 2
1 411 . 1 1 A 41 41 GLN C C 41 178.637 178.179 0.458 2
1 412 . 1 1 A 41 41 GLN CA C 41 58.955 58.363 0.592 2
1 413 . 1 1 A 41 41 GLN CB C 41 28.421 28.256 0.165 2
1 415 . 1 1 A 41 41 GLN N N 41 120.218 121.157 -0.939 2
1 417 . 1 1 A 42 42 ALA H H 42 8.149 7.854 0.295 2
1 418 . 1 1 A 42 42 ALA HA H 42 4.162 4.142 0.020 2
1 422 . 1 1 A 42 42 ALA C C 42 178.442 179.847 -1.406 2
1 423 . 1 1 A 42 42 ALA CA C 42 54.567 54.975 -0.408 2
1 424 . 1 1 A 42 42 ALA CB C 42 19.202 18.463 0.739 2
1 425 . 1 1 A 42 42 ALA N N 42 118.903 122.448 -3.545 2
1 426 . 1 1 A 43 43 SER H H 43 7.784 7.986 -0.202 2
1 427 . 1 1 A 43 43 SER HA H 43 4.851 4.721 0.130 2
1 430 . 1 1 A 43 43 SER C C 43 175.304 173.769 1.535 2
1 431 . 1 1 A 43 43 SER CA C 43 59.180 58.400 0.780 2
1 432 . 1 1 A 43 43 SER CB C 43 66.897 63.392 3.505 2
1 433 . 1 1 A 43 43 SER N N 43 109.522 111.833 -2.311 2
1 434 . 1 1 A 44 44 ARG H H 44 7.799 7.749 0.050 2
1 435 . 1 1 A 44 44 ARG HA H 44 3.872 3.849 0.023 2
1 441 . 1 1 A 44 44 ARG C C 44 175.312 174.579 0.733 2
1 442 . 1 1 A 44 44 ARG CA C 44 58.582 57.255 1.327 2
1 443 . 1 1 A 44 44 ARG CB C 44 26.661 26.891 -0.230 2
1 446 . 1 1 A 44 44 ARG N N 44 114.335 117.303 -2.968 2
1 447 . 1 1 A 45 45 LEU H H 45 7.759 7.585 0.174 2
1 448 . 1 1 A 45 45 LEU HA H 45 4.571 4.886 -0.315 2
1 458 . 1 1 A 45 45 LEU C C 45 177.069 176.201 0.868 2
1 459 . 1 1 A 45 45 LEU CA C 45 53.471 53.199 0.272 2
1 460 . 1 1 A 45 45 LEU CB C 45 43.845 44.410 -0.565 2
1 464 . 1 1 A 45 45 LEU N N 45 120.316 118.866 1.450 2
1 465 . 1 1 A 46 46 SER H H 46 9.062 8.754 0.308 2
1 466 . 1 1 A 46 46 SER HA H 46 4.446 4.749 -0.303 2
1 469 . 1 1 A 46 46 SER C C 46 174.731 175.977 -1.246 2
1 470 . 1 1 A 46 46 SER CA C 46 57.302 57.492 -0.190 2
1 471 . 1 1 A 46 46 SER CB C 46 65.202 64.888 0.314 2
1 472 . 1 1 A 46 46 SER N N 46 117.855 115.169 2.686 2
1 473 . 1 1 A 47 47 THR H H 47 8.770 8.770 0.000 2
1 474 . 1 1 A 47 47 THR HA H 47 3.578 3.863 -0.285 2
1 479 . 1 1 A 47 47 THR C C 47 176.003 176.304 -0.301 2
1 480 . 1 1 A 47 47 THR CA C 47 67.477 65.856 1.622 2
1 481 . 1 1 A 47 47 THR CB C 47 68.317 68.721 -0.404 2
1 483 . 1 1 A 47 47 THR N N 47 115.428 118.117 -2.689 2
1 484 . 1 1 A 48 48 GLN H H 48 8.292 7.846 0.446 2
1 485 . 1 1 A 48 48 GLN HA H 48 3.890 3.995 -0.105 2
1 492 . 1 1 A 48 48 GLN C C 48 177.625 178.070 -0.445 2
1 493 . 1 1 A 48 48 GLN CA C 48 58.482 58.982 -0.500 2
1 494 . 1 1 A 48 48 GLN CB C 48 28.614 28.499 0.115 2
1 496 . 1 1 A 48 48 GLN N N 48 119.078 120.084 -1.006 2
1 498 . 1 1 A 49 49 GLN H H 49 7.765 8.207 -0.442 2
1 499 . 1 1 A 49 49 GLN HA H 49 4.153 3.970 0.183 2
1 506 . 1 1 A 49 49 GLN C C 49 180.153 178.831 1.322 2
1 507 . 1 1 A 49 49 GLN CA C 49 58.927 59.330 -0.403 2
1 508 . 1 1 A 49 49 GLN CB C 49 30.030 28.253 1.777 2
1 510 . 1 1 A 49 49 GLN N N 49 117.667 118.694 -1.027 2
1 512 . 1 1 A 50 50 VAL H H 50 8.465 7.726 0.739 2
1 513 . 1 1 A 50 50 VAL HA H 50 3.620 3.754 -0.134 2
1 521 . 1 1 A 50 50 VAL C C 50 177.691 178.269 -0.578 2
1 522 . 1 1 A 50 50 VAL CA C 50 67.588 66.451 1.137 2
1 523 . 1 1 A 50 50 VAL CB C 50 31.470 31.415 0.055 2
1 526 . 1 1 A 50 50 VAL N N 50 122.227 119.969 2.258 2
1 527 . 1 1 A 51 51 LEU H H 51 8.119 7.927 0.192 2
1 528 . 1 1 A 51 51 LEU HA H 51 3.975 3.965 0.010 2
1 538 . 1 1 A 51 51 LEU C C 51 179.950 179.129 0.821 2
1 539 . 1 1 A 51 51 LEU CA C 51 59.206 58.158 1.048 2
1 540 . 1 1 A 51 51 LEU CB C 51 41.515 41.170 0.345 2
1 544 . 1 1 A 51 51 LEU N N 51 120.724 119.811 0.913 2
1 545 . 1 1 A 52 52 ASP H H 52 8.780 8.171 0.609 2
1 546 . 1 1 A 52 52 ASP HA H 52 4.344 4.379 -0.035 2
1 549 . 1 1 A 52 52 ASP C C 52 178.654 178.488 0.166 2
1 550 . 1 1 A 52 52 ASP CA C 52 57.310 57.132 0.178 2
1 551 . 1 1 A 52 52 ASP CB C 52 40.418 40.585 -0.167 2
1 552 . 1 1 A 52 52 ASP N N 52 118.559 118.978 -0.419 2
1 553 . 1 1 A 53 53 TRP H H 53 8.180 8.195 -0.015 2
1 554 . 1 1 A 53 53 TRP HA H 53 3.905 4.330 -0.425 2
1 563 . 1 1 A 53 53 TRP C C 53 180.216 178.256 1.960 2
1 564 . 1 1 A 53 53 TRP CA C 53 62.801 61.081 1.720 2
1 565 . 1 1 A 53 53 TRP CB C 53 29.117 30.296 -1.179 2
1 571 . 1 1 A 53 53 TRP N N 53 123.121 121.799 1.322 2
1 573 . 1 1 A 54 54 PHE H H 54 8.371 8.366 0.005 2
1 574 . 1 1 A 54 54 PHE HA H 54 3.786 3.981 -0.195 2
1 582 . 1 1 A 54 54 PHE C C 54 178.605 177.659 0.946 2
1 583 . 1 1 A 54 54 PHE CA C 54 63.242 61.934 1.308 2
1 584 . 1 1 A 54 54 PHE CB C 54 39.446 38.658 0.788 2
1 590 . 1 1 A 54 54 PHE N N 54 117.319 117.582 -0.263 2
1 591 . 1 1 A 55 55 ASP H H 55 8.609 8.088 0.521 2
1 592 . 1 1 A 55 55 ASP HA H 55 4.499 4.378 0.121 2
1 595 . 1 1 A 55 55 ASP C C 55 177.993 178.312 -0.319 2
1 596 . 1 1 A 55 55 ASP CA C 55 57.370 57.352 0.018 2
1 597 . 1 1 A 55 55 ASP CB C 55 41.096 41.627 -0.531 2
1 598 . 1 1 A 55 55 ASP N N 55 120.805 119.618 1.187 2
1 599 . 1 1 A 56 56 SER H H 56 7.450 7.998 -0.548 2
1 600 . 1 1 A 56 56 SER HA H 56 4.236 4.092 0.144 2
1 603 . 1 1 A 56 56 SER C C 56 174.228 176.797 -2.569 2
1 604 . 1 1 A 56 56 SER CA C 56 59.538 61.111 -1.573 2
1 605 . 1 1 A 56 56 SER CB C 56 63.340 62.875 0.465 2
1 606 . 1 1 A 56 56 SER N N 56 111.640 115.121 -3.481 2
1 607 . 1 1 A 57 57 ARG H H 57 7.061 7.433 -0.372 2
1 608 . 1 1 A 57 57 ARG HA H 57 3.803 3.899 -0.096 2
1 615 . 1 1 A 57 57 ARG C C 57 175.909 177.083 -1.174 2
1 616 . 1 1 A 57 57 ARG CA C 57 55.254 58.443 -3.189 2
1 617 . 1 1 A 57 57 ARG CB C 57 30.216 29.307 0.909 2
1 620 . 1 1 A 57 57 ARG N N 57 120.670 119.228 1.442 2
1 621 . 1 1 A 58 58 LEU H H 58 7.519 7.313 0.206 2
1 622 . 1 1 A 58 58 LEU HA H 58 4.611 4.561 0.050 2
1 632 . 1 1 A 58 58 LEU C C 58 174.867 175.657 -0.790 2
1 633 . 1 1 A 58 58 LEU CA C 58 53.322 54.005 -0.683 2
1 634 . 1 1 A 58 58 LEU CB C 58 41.891 41.527 0.364 2
1 638 . 1 1 A 58 58 LEU N N 58 122.146 120.111 2.035 2
1 639 . 1 1 A 59 59 PRO HA H 59 4.489 4.657 -0.168 2
1 645 . 1 1 A 59 59 PRO C C 59 176.849 176.315 0.534 2
1 646 . 1 1 A 59 59 PRO CA C 59 63.047 62.787 0.260 2
1 647 . 1 1 A 59 59 PRO CB C 59 32.066 31.168 0.898 2
1 650 . 1 1 A 60 60 GLN H H 60 8.496 8.160 0.336 2
1 651 . 1 1 A 60 60 GLN HA H 60 4.595 4.610 -0.015 2
1 658 . 1 1 A 60 60 GLN C C 60 174.178 173.985 0.193 2
1 659 . 1 1 A 60 60 GLN CA C 60 53.464 53.974 -0.510 2
1 660 . 1 1 A 60 60 GLN CB C 60 28.989 29.704 -0.715 2
1 662 . 1 1 A 60 60 GLN N N 60 121.828 119.951 1.877 2
1 664 . 1 1 A 61 61 PRO HA H 61 4.397 4.695 -0.298 2
1 670 . 1 1 A 61 61 PRO C C 61 176.634 176.021 0.613 2
1 671 . 1 1 A 61 61 PRO CA C 61 63.150 62.739 0.411 2
1 672 . 1 1 A 61 61 PRO CB C 61 32.103 31.849 0.254 2
1 675 . 1 1 A 62 62 ALA H H 62 8.445 8.335 0.110 2
1 676 . 1 1 A 62 62 ALA HA H 62 4.280 4.744 -0.464 2
1 680 . 1 1 A 62 62 ALA C C 62 177.871 176.113 1.758 2
1 681 . 1 1 A 62 62 ALA CA C 62 52.522 51.035 1.487 2
1 682 . 1 1 A 62 62 ALA CB C 62 19.309 22.053 -2.744 2
1 683 . 1 1 A 62 62 ALA N N 62 124.460 124.066 0.394 2
1 684 . 1 1 A 63 63 GLU H H 63 8.410 8.642 -0.232 2
1 685 . 1 1 A 63 63 GLU HA H 63 4.287 4.556 -0.269 2
1 689 . 1 1 A 63 63 GLU C C 63 176.521 175.836 0.685 2
1 690 . 1 1 A 63 63 GLU CA C 63 56.478 55.896 0.582 2
1 691 . 1 1 A 63 63 GLU CB C 63 30.371 30.581 -0.210 2
1 693 . 1 1 A 63 63 GLU N N 63 120.216 120.709 -0.493 2
1 694 . 1 1 A 64 64 VAL H H 64 8.221 8.347 -0.126 2
1 695 . 1 1 A 64 64 VAL HA H 64 4.177 4.383 -0.206 2
1 703 . 1 1 A 64 64 VAL C C 64 176.179 175.449 0.730 2
1 704 . 1 1 A 64 64 VAL CA C 64 62.212 61.502 0.710 2
1 705 . 1 1 A 64 64 VAL CB C 64 32.875 33.589 -0.714 2
1 708 . 1 1 A 64 64 VAL N N 64 121.436 122.775 -1.339 2
1 709 . 1 1 A 65 65 SER H H 65 8.421 8.503 -0.082 2
1 710 . 1 1 A 65 65 SER HA H 65 4.500 4.496 0.004 2
1 713 . 1 1 A 65 65 SER C C 65 174.560 174.462 0.098 2
1 714 . 1 1 A 65 65 SER CA C 65 58.411 59.089 -0.678 2
1 715 . 1 1 A 65 65 SER CB C 65 63.999 64.225 -0.226 2
1 716 . 1 1 A 65 65 SER N N 65 119.752 119.158 0.594 2
1 717 . 1 1 A 66 66 GLY H H 66 8.268 8.154 0.114 2
1 718 . 1 1 A 66 66 GLY HA2 H 66 4.065 4.063 0.002 2
1 719 . 1 1 A 66 66 GLY HA3 H 66 4.191 4.069 0.122 2
1 720 . 1 1 A 66 66 GLY C C 66 171.744 173.633 -1.889 2
1 721 . 1 1 A 66 66 GLY CA C 66 44.679 45.645 -0.966 2
1 722 . 1 1 A 66 66 GLY N N 66 110.950 109.743 1.207 2
1 723 . 1 1 A 67 67 PRO HA H 67 4.481 4.570 -0.089 2
1 728 . 1 1 A 67 67 PRO C C 67 177.427 176.082 1.345 2
1 729 . 1 1 A 67 67 PRO CA C 67 63.264 63.050 0.214 2
1 730 . 1 1 A 67 67 PRO CB C 67 32.200 32.135 0.065 2
1 733 . 1 1 A 68 68 SER H H 68 8.543 8.300 0.243 2
1 734 . 1 1 A 68 68 SER HA H 68 4.559 4.677 -0.118 2
1 737 . 1 1 A 68 68 SER C C 68 174.726 173.500 1.226 2
1 738 . 1 1 A 68 68 SER CA C 68 58.368 58.116 0.252 2
1 739 . 1 1 A 68 68 SER CB C 68 63.934 64.773 -0.839 2
1 740 . 1 1 A 68 68 SER N N 68 116.507 116.922 -0.415 2
1 741 . 1 1 A 69 69 SER H H 69 8.349 8.680 -0.331 2
1 742 . 1 1 A 69 69 SER HA H 69 4.507 4.618 -0.111 2
1 745 . 1 1 A 69 69 SER C C 69 173.960 174.337 -0.377 2
1 746 . 1 1 A 69 69 SER CA C 69 58.355 58.199 0.156 2
1 747 . 1 1 A 69 69 SER CB C 69 63.993 64.087 -0.094 2
1 748 . 1 1 A 69 69 SER N N 69 117.971 119.097 -1.126 2
stop_
save_