data_10195_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10195
_Entry.PDB_ID 2YUP
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.146 46.799 -1.653 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.966 3.910 0.056 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.966 3.910 0.056 1
1 4 . 1 1 1 A 7 7 GLY C C 7 173.687 174.700 -1.013 1
1 5 . 1 1 1 A 8 8 LYS N N 8 122.140 118.004 4.136 1
1 6 . 1 1 1 A 8 8 LYS H H 8 8.107 7.553 0.554 1
1 7 . 1 1 1 A 8 8 LYS CA C 8 54.053 55.168 -1.115 1
1 8 . 1 1 1 A 8 8 LYS HA H 8 4.620 4.495 0.125 1
1 9 . 1 1 1 A 8 8 LYS CB C 8 32.649 32.307 0.342 1
1 21 . 1 1 1 A 8 8 LYS C C 8 174.270 175.875 -1.605 1
1 22 . 1 1 1 A 9 9 PRO CA C 9 61.632 61.660 -0.028 1
1 23 . 1 1 1 A 9 9 PRO HA H 9 4.687 4.662 0.025 1
1 24 . 1 1 1 A 9 9 PRO CB C 9 30.855 31.576 -0.721 1
1 33 . 1 1 1 A 10 10 PRO CA C 10 62.942 62.801 0.141 1
1 34 . 1 1 1 A 10 10 PRO HA H 10 4.473 4.768 -0.295 1
1 35 . 1 1 1 A 10 10 PRO CB C 10 32.197 31.547 0.650 1
1 44 . 1 1 1 A 11 11 THR N N 11 128.434 112.522 15.912 1
1 45 . 1 1 1 A 11 11 THR H H 11 8.172 8.410 -0.238 1
1 46 . 1 1 1 A 11 11 THR CA C 11 61.644 60.106 1.538 1
1 47 . 1 1 1 A 11 11 THR HA H 11 4.357 5.046 -0.689 1
1 48 . 1 1 1 A 11 11 THR CB C 11 70.204 71.630 -1.426 1
1 54 . 1 1 1 A 12 12 TYR N N 12 120.312 123.326 -3.014 1
1 55 . 1 1 1 A 12 12 TYR H H 12 8.033 8.976 -0.943 1
1 56 . 1 1 1 A 12 12 TYR CA C 12 56.633 56.487 0.146 1
1 57 . 1 1 1 A 12 12 TYR HA H 12 4.967 5.006 -0.039 1
1 58 . 1 1 1 A 12 12 TYR CB C 12 40.403 39.556 0.847 1
1 69 . 1 1 1 A 13 13 GLN H H 13 8.634 8.645 -0.011 1
1 70 . 1 1 1 A 13 13 GLN CA C 13 54.519 57.091 -2.572 1
1 71 . 1 1 1 A 13 13 GLN HA H 13 4.626 4.442 0.184 1
1 72 . 1 1 1 A 13 13 GLN CB C 13 31.183 29.474 1.709 1
1 81 . 1 1 1 A 14 14 VAL N N 14 124.270 119.586 4.684 1
1 82 . 1 1 1 A 14 14 VAL H H 14 8.773 7.795 0.978 1
1 83 . 1 1 1 A 14 14 VAL CA C 14 62.977 65.056 -2.079 1
1 84 . 1 1 1 A 14 14 VAL HA H 14 4.018 3.827 0.191 1
1 85 . 1 1 1 A 14 14 VAL CB C 14 32.909 31.230 1.679 1
1 95 . 1 1 1 A 15 15 LEU N N 15 128.403 119.104 9.299 1
1 96 . 1 1 1 A 15 15 LEU H H 15 8.726 7.721 1.005 1
1 97 . 1 1 1 A 15 15 LEU CA C 15 55.620 57.985 -2.365 1
1 98 . 1 1 1 A 15 15 LEU HA H 15 4.412 4.140 0.272 1
1 99 . 1 1 1 A 15 15 LEU CB C 15 42.580 41.750 0.830 1
1 112 . 1 1 1 A 16 16 GLU H H 16 8.687 8.487 0.200 1
1 113 . 1 1 1 A 16 16 GLU CA C 16 55.492 59.485 -3.993 1
1 114 . 1 1 1 A 16 16 GLU HA H 16 4.401 3.908 0.493 1
1 115 . 1 1 1 A 16 16 GLU CB C 16 32.409 29.556 2.853 1
1 120 . 1 1 1 A 17 17 TYR N N 17 124.726 118.112 6.614 1
1 121 . 1 1 1 A 17 17 TYR H H 17 8.505 8.011 0.494 1
1 122 . 1 1 1 A 17 17 TYR CA C 17 58.490 58.402 0.088 1
1 123 . 1 1 1 A 17 17 TYR HA H 17 4.598 4.564 0.034 1
1 124 . 1 1 1 A 17 17 TYR CB C 17 38.814 39.301 -0.487 1
1 135 . 1 1 1 A 18 18 GLY N N 18 106.652 110.097 -3.445 1
1 136 . 1 1 1 A 18 18 GLY H H 18 9.176 8.455 0.721 1
1 137 . 1 1 1 A 18 18 GLY CA C 18 43.947 44.854 -0.907 1
1 138 . 1 1 1 A 18 18 GLY HA2 H 18 3.646 4.113 -0.467 1
1 139 . 1 1 1 A 18 18 GLY HA3 H 18 4.287 4.130 0.157 1
1 140 . 1 1 1 A 19 19 GLU N N 19 122.571 121.749 0.822 1
1 141 . 1 1 1 A 19 19 GLU H H 19 9.450 8.880 0.570 1
1 142 . 1 1 1 A 19 19 GLU CA C 19 56.496 55.179 1.317 1
1 143 . 1 1 1 A 19 19 GLU HA H 19 5.218 5.304 -0.086 1
1 144 . 1 1 1 A 19 19 GLU CB C 19 34.419 33.380 1.039 1
1 149 . 1 1 1 A 19 19 GLU C C 19 173.496 175.242 -1.746 1
1 150 . 1 1 1 A 20 20 ALA N N 20 125.442 127.775 -2.333 1
1 151 . 1 1 1 A 20 20 ALA H H 20 8.813 8.734 0.079 1
1 152 . 1 1 1 A 20 20 ALA CA C 20 50.154 50.739 -0.585 1
1 153 . 1 1 1 A 20 20 ALA HA H 20 5.132 5.215 -0.083 1
1 154 . 1 1 1 A 20 20 ALA CB C 20 24.742 23.661 1.081 1
1 158 . 1 1 1 A 20 20 ALA C C 20 174.555 174.953 -0.398 1
1 159 . 1 1 1 A 21 21 VAL N N 21 117.729 119.357 -1.628 1
1 160 . 1 1 1 A 21 21 VAL H H 21 8.118 8.670 -0.552 1
1 161 . 1 1 1 A 21 21 VAL CA C 21 60.211 60.121 0.090 1
1 162 . 1 1 1 A 21 21 VAL HA H 21 4.478 4.273 0.205 1
1 163 . 1 1 1 A 21 21 VAL CB C 21 34.751 34.878 -0.127 1
1 173 . 1 1 1 A 21 21 VAL C C 21 176.351 175.081 1.270 1
1 174 . 1 1 1 A 22 22 ALA N N 22 130.024 129.685 0.339 1
1 175 . 1 1 1 A 22 22 ALA H H 22 8.689 8.338 0.351 1
1 176 . 1 1 1 A 22 22 ALA CA C 22 53.496 52.958 0.538 1
1 177 . 1 1 1 A 22 22 ALA HA H 22 4.170 4.200 -0.030 1
1 178 . 1 1 1 A 22 22 ALA CB C 22 20.793 19.056 1.737 1
1 182 . 1 1 1 A 22 22 ALA C C 22 178.156 176.589 1.567 1
1 183 . 1 1 1 A 23 23 GLN N N 23 126.904 122.896 4.008 1
1 184 . 1 1 1 A 23 23 GLN H H 23 9.442 8.765 0.677 1
1 185 . 1 1 1 A 23 23 GLN CA C 23 55.611 57.310 -1.699 1
1 186 . 1 1 1 A 23 23 GLN HA H 23 4.202 4.365 -0.163 1
1 187 . 1 1 1 A 23 23 GLN CB C 23 30.345 30.055 0.290 1
1 196 . 1 1 1 A 23 23 GLN C C 23 173.200 175.692 -2.492 1
1 197 . 1 1 1 A 24 24 TYR N N 24 115.157 116.286 -1.129 1
1 198 . 1 1 1 A 24 24 TYR H H 24 7.696 7.838 -0.142 1
1 199 . 1 1 1 A 24 24 TYR CA C 24 55.303 56.738 -1.435 1
1 200 . 1 1 1 A 24 24 TYR HA H 24 4.847 5.262 -0.415 1
1 201 . 1 1 1 A 24 24 TYR CB C 24 43.087 41.988 1.099 1
1 212 . 1 1 1 A 24 24 TYR C C 24 173.829 175.960 -2.131 1
1 213 . 1 1 1 A 25 25 THR N N 25 118.997 119.662 -0.665 1
1 214 . 1 1 1 A 25 25 THR H H 25 8.697 9.027 -0.330 1
1 215 . 1 1 1 A 25 25 THR CA C 25 63.201 63.977 -0.776 1
1 216 . 1 1 1 A 25 25 THR HA H 25 4.483 4.430 0.053 1
1 217 . 1 1 1 A 25 25 THR CB C 25 70.228 68.922 1.306 1
1 223 . 1 1 1 A 25 25 THR C C 25 173.214 174.200 -0.986 1
1 224 . 1 1 1 A 26 26 PHE N N 26 129.691 127.733 1.958 1
1 225 . 1 1 1 A 26 26 PHE H H 26 8.460 8.683 -0.223 1
1 226 . 1 1 1 A 26 26 PHE CA C 26 55.887 57.972 -2.085 1
1 227 . 1 1 1 A 26 26 PHE HA H 26 4.631 4.962 -0.331 1
1 228 . 1 1 1 A 26 26 PHE CB C 26 42.134 40.202 1.932 1
1 241 . 1 1 1 A 26 26 PHE C C 26 173.089 174.449 -1.360 1
1 242 . 1 1 1 A 27 27 LYS N N 27 129.755 125.348 4.407 1
1 243 . 1 1 1 A 27 27 LYS H H 27 7.879 7.282 0.597 1
1 244 . 1 1 1 A 27 27 LYS CA C 27 54.562 54.765 -0.203 1
1 245 . 1 1 1 A 27 27 LYS HA H 27 4.023 4.813 -0.790 1
1 246 . 1 1 1 A 27 27 LYS CB C 27 32.490 35.908 -3.418 1
1 258 . 1 1 1 A 27 27 LYS C C 27 174.852 174.969 -0.117 1
1 259 . 1 1 1 A 28 28 GLY N N 28 113.171 112.651 0.520 1
1 260 . 1 1 1 A 28 28 GLY H H 28 7.726 8.432 -0.706 1
1 261 . 1 1 1 A 28 28 GLY CA C 28 45.922 45.072 0.850 1
1 262 . 1 1 1 A 28 28 GLY HA2 H 28 3.151 4.442 -1.291 1
1 263 . 1 1 1 A 28 28 GLY HA3 H 28 3.619 4.640 -1.021 1
1 264 . 1 1 1 A 28 28 GLY C C 28 173.250 174.120 -0.870 1
1 265 . 1 1 1 A 29 29 ASP N N 29 121.578 119.871 1.707 1
1 266 . 1 1 1 A 29 29 ASP H H 29 8.743 8.659 0.084 1
1 267 . 1 1 1 A 29 29 ASP CA C 29 55.162 54.894 0.268 1
1 268 . 1 1 1 A 29 29 ASP HA H 29 4.616 4.883 -0.267 1
1 269 . 1 1 1 A 29 29 ASP CB C 29 42.815 42.643 0.172 1
1 272 . 1 1 1 A 29 29 ASP C C 29 176.583 176.613 -0.030 1
1 273 . 1 1 1 A 30 30 LEU N N 30 119.139 119.688 -0.549 1
1 274 . 1 1 1 A 30 30 LEU H H 30 8.069 7.664 0.405 1
1 275 . 1 1 1 A 30 30 LEU CA C 30 54.174 54.658 -0.484 1
1 276 . 1 1 1 A 30 30 LEU HA H 30 4.585 4.312 0.273 1
1 277 . 1 1 1 A 30 30 LEU CB C 30 44.109 42.327 1.782 1
1 290 . 1 1 1 A 30 30 LEU C C 30 179.241 177.966 1.275 1
1 291 . 1 1 1 A 31 31 GLU N N 31 122.182 123.928 -1.746 1
1 292 . 1 1 1 A 31 31 GLU H H 31 8.905 9.083 -0.178 1
1 293 . 1 1 1 A 31 31 GLU CA C 31 59.392 59.928 -0.536 1
1 294 . 1 1 1 A 31 31 GLU HA H 31 4.151 3.922 0.229 1
1 295 . 1 1 1 A 31 31 GLU CB C 31 29.605 29.724 -0.119 1
1 301 . 1 1 1 A 31 31 GLU C C 31 177.520 178.247 -0.727 1
1 302 . 1 1 1 A 32 32 VAL N N 32 108.281 117.748 -9.467 1
1 303 . 1 1 1 A 32 32 VAL H H 32 7.186 7.999 -0.813 1
1 304 . 1 1 1 A 32 32 VAL CA C 32 61.950 65.534 -3.584 1
1 305 . 1 1 1 A 32 32 VAL HA H 32 4.365 3.929 0.436 1
1 306 . 1 1 1 A 32 32 VAL CB C 32 32.222 31.402 0.820 1
1 316 . 1 1 1 A 32 32 VAL C C 32 176.602 176.532 0.070 1
1 317 . 1 1 1 A 33 33 GLU N N 33 120.835 122.126 -1.291 1
1 318 . 1 1 1 A 33 33 GLU H H 33 7.751 7.972 -0.221 1
1 319 . 1 1 1 A 33 33 GLU CA C 33 55.560 56.290 -0.730 1
1 320 . 1 1 1 A 33 33 GLU HA H 33 5.106 4.634 0.472 1
1 321 . 1 1 1 A 33 33 GLU CB C 33 31.354 30.253 1.101 1
1 327 . 1 1 1 A 33 33 GLU C C 33 176.180 175.664 0.516 1
1 328 . 1 1 1 A 34 34 LEU N N 34 126.568 128.601 -2.033 1
1 329 . 1 1 1 A 34 34 LEU H H 34 9.073 8.828 0.245 1
1 330 . 1 1 1 A 34 34 LEU CA C 34 53.385 54.104 -0.719 1
1 331 . 1 1 1 A 34 34 LEU HA H 34 4.481 4.995 -0.514 1
1 332 . 1 1 1 A 34 34 LEU CB C 34 44.305 44.787 -0.482 1
1 345 . 1 1 1 A 34 34 LEU C C 34 173.373 174.973 -1.600 1
1 346 . 1 1 1 A 35 35 SER N N 35 116.987 123.566 -6.579 1
1 347 . 1 1 1 A 35 35 SER H H 35 7.561 8.692 -1.131 1
1 348 . 1 1 1 A 35 35 SER CA C 35 58.335 57.445 0.890 1
1 349 . 1 1 1 A 35 35 SER HA H 35 4.569 5.187 -0.618 1
1 350 . 1 1 1 A 35 35 SER CB C 35 64.536 65.103 -0.567 1
1 353 . 1 1 1 A 35 35 SER C C 35 174.513 173.513 1.000 1
1 354 . 1 1 1 A 36 36 PHE N N 36 117.028 119.988 -2.960 1
1 355 . 1 1 1 A 36 36 PHE H H 36 8.339 8.374 -0.035 1
1 356 . 1 1 1 A 36 36 PHE CA C 36 55.938 55.746 0.192 1
1 357 . 1 1 1 A 36 36 PHE HA H 36 4.647 5.254 -0.607 1
1 358 . 1 1 1 A 36 36 PHE CB C 36 39.959 41.276 -1.317 1
1 371 . 1 1 1 A 36 36 PHE C C 36 174.055 172.338 1.717 1
1 372 . 1 1 1 A 37 37 ARG N N 37 120.296 119.973 0.323 1
1 373 . 1 1 1 A 37 37 ARG H H 37 9.859 8.706 1.153 1
1 374 . 1 1 1 A 37 37 ARG CA C 37 53.915 54.472 -0.557 1
1 375 . 1 1 1 A 37 37 ARG HA H 37 4.929 4.855 0.074 1
1 376 . 1 1 1 A 37 37 ARG CB C 37 32.735 32.854 -0.119 1
1 385 . 1 1 1 A 37 37 ARG C C 37 175.793 175.794 -0.001 1
1 386 . 1 1 1 A 38 38 LYS N N 38 121.649 124.649 -3.000 1
1 387 . 1 1 1 A 38 38 LYS H H 38 7.938 8.699 -0.761 1
1 388 . 1 1 1 A 38 38 LYS CA C 38 58.880 58.330 0.550 1
1 389 . 1 1 1 A 38 38 LYS HA H 38 3.291 3.973 -0.682 1
1 390 . 1 1 1 A 38 38 LYS CB C 38 32.755 32.157 0.598 1
1 402 . 1 1 1 A 38 38 LYS C C 38 176.459 177.399 -0.940 1
1 403 . 1 1 1 A 39 39 GLY N N 39 114.431 115.036 -0.605 1
1 404 . 1 1 1 A 39 39 GLY H H 39 8.618 9.000 -0.382 1
1 405 . 1 1 1 A 39 39 GLY CA C 39 44.652 45.102 -0.450 1
1 406 . 1 1 1 A 39 39 GLY HA2 H 39 3.438 3.996 -0.558 1
1 407 . 1 1 1 A 39 39 GLY HA3 H 39 4.399 4.006 0.393 1
1 408 . 1 1 1 A 39 39 GLY C C 39 174.586 174.390 0.196 1
1 409 . 1 1 1 A 40 40 GLU N N 40 119.554 121.381 -1.827 1
1 410 . 1 1 1 A 40 40 GLU H H 40 7.931 8.119 -0.188 1
1 411 . 1 1 1 A 40 40 GLU CA C 40 59.197 57.406 1.791 1
1 412 . 1 1 1 A 40 40 GLU HA H 40 4.272 4.374 -0.102 1
1 413 . 1 1 1 A 40 40 GLU CB C 40 30.759 30.789 -0.030 1
1 419 . 1 1 1 A 40 40 GLU C C 40 175.278 175.401 -0.123 1
1 420 . 1 1 1 A 41 41 HIS N N 41 121.677 120.201 1.476 1
1 421 . 1 1 1 A 41 41 HIS H H 41 8.837 9.071 -0.234 1
1 422 . 1 1 1 A 41 41 HIS CA C 41 56.432 54.526 1.906 1
1 423 . 1 1 1 A 41 41 HIS HA H 41 4.817 5.087 -0.270 1
1 424 . 1 1 1 A 41 41 HIS CB C 41 30.260 30.512 -0.252 1
1 431 . 1 1 1 A 41 41 HIS C C 41 174.622 174.348 0.274 1
1 432 . 1 1 1 A 42 42 ILE N N 42 123.889 125.029 -1.140 1
1 433 . 1 1 1 A 42 42 ILE H H 42 8.753 8.705 0.048 1
1 434 . 1 1 1 A 42 42 ILE CA C 42 60.433 61.050 -0.617 1
1 435 . 1 1 1 A 42 42 ILE HA H 42 4.079 4.142 -0.063 1
1 436 . 1 1 1 A 42 42 ILE CB C 42 42.258 38.119 4.139 1
1 449 . 1 1 1 A 42 42 ILE C C 42 174.377 174.837 -0.460 1
1 450 . 1 1 1 A 43 43 CYS N N 43 127.431 127.609 -0.178 1
1 451 . 1 1 1 A 43 43 CYS H H 43 8.877 8.738 0.139 1
1 452 . 1 1 1 A 43 43 CYS CA C 43 57.909 58.278 -0.369 1
1 453 . 1 1 1 A 43 43 CYS HA H 43 4.654 4.738 -0.084 1
1 454 . 1 1 1 A 43 43 CYS CB C 43 26.650 27.907 -1.257 1
1 457 . 1 1 1 A 43 43 CYS C C 43 174.875 173.610 1.265 1
1 458 . 1 1 1 A 44 44 LEU N N 44 126.732 128.786 -2.054 1
1 459 . 1 1 1 A 44 44 LEU H H 44 7.724 8.642 -0.918 1
1 460 . 1 1 1 A 44 44 LEU CA C 44 53.741 55.290 -1.549 1
1 461 . 1 1 1 A 44 44 LEU HA H 44 4.546 4.614 -0.068 1
1 462 . 1 1 1 A 44 44 LEU CB C 44 43.286 41.260 2.026 1
1 475 . 1 1 1 A 44 44 LEU C C 44 175.004 176.458 -1.454 1
1 476 . 1 1 1 A 45 45 ILE N N 45 125.519 127.047 -1.528 1
1 477 . 1 1 1 A 45 45 ILE H H 45 9.058 8.643 0.415 1
1 478 . 1 1 1 A 45 45 ILE CA C 45 63.488 63.298 0.190 1
1 479 . 1 1 1 A 45 45 ILE HA H 45 4.121 4.439 -0.318 1
1 480 . 1 1 1 A 45 45 ILE CB C 45 39.808 38.348 1.460 1
1 493 . 1 1 1 A 46 46 ARG N N 46 105.448 120.003 -14.555 1
1 494 . 1 1 1 A 46 46 ARG H H 46 7.377 8.002 -0.625 1
1 495 . 1 1 1 A 46 46 ARG CA C 46 54.848 54.579 0.269 1
1 496 . 1 1 1 A 46 46 ARG HA H 46 4.576 4.523 0.053 1
1 497 . 1 1 1 A 46 46 ARG CB C 46 32.078 30.910 1.168 1
1 508 . 1 1 1 A 46 46 ARG C C 46 174.353 175.500 -1.147 1
1 509 . 1 1 1 A 47 47 LYS N N 47 124.397 126.451 -2.054 1
1 510 . 1 1 1 A 47 47 LYS H H 47 9.254 8.574 0.680 1
1 511 . 1 1 1 A 47 47 LYS CA C 47 56.832 57.295 -0.463 1
1 512 . 1 1 1 A 47 47 LYS HA H 47 4.353 4.282 0.071 1
1 513 . 1 1 1 A 47 47 LYS CB C 47 32.868 33.433 -0.565 1
1 525 . 1 1 1 A 47 47 LYS C C 47 176.540 177.303 -0.763 1
1 526 . 1 1 1 A 48 48 VAL N N 48 126.203 127.660 -1.457 1
1 527 . 1 1 1 A 48 48 VAL H H 48 8.289 8.736 -0.447 1
1 528 . 1 1 1 A 48 48 VAL CA C 48 63.966 64.640 -0.674 1
1 529 . 1 1 1 A 48 48 VAL HA H 48 3.784 3.781 0.003 1
1 530 . 1 1 1 A 48 48 VAL CB C 48 33.030 32.004 1.026 1
1 540 . 1 1 1 A 48 48 VAL C C 48 175.547 176.109 -0.562 1
1 541 . 1 1 1 A 49 49 ASN N N 49 115.717 114.821 0.896 1
1 542 . 1 1 1 A 49 49 ASN H H 49 8.167 7.425 0.742 1
1 543 . 1 1 1 A 49 49 ASN CA C 49 52.768 52.070 0.698 1
1 544 . 1 1 1 A 49 49 ASN HA H 49 4.428 4.782 -0.354 1
1 545 . 1 1 1 A 49 49 ASN CB C 49 37.683 39.822 -2.139 1
1 551 . 1 1 1 A 49 49 ASN C C 49 174.537 174.866 -0.329 1
1 552 . 1 1 1 A 50 50 GLU N N 50 114.361 117.355 -2.994 1
1 553 . 1 1 1 A 50 50 GLU H H 50 8.781 9.013 -0.232 1
1 554 . 1 1 1 A 50 50 GLU CA C 50 59.835 58.425 1.410 1
1 555 . 1 1 1 A 50 50 GLU HA H 50 3.947 4.015 -0.068 1
1 556 . 1 1 1 A 50 50 GLU CB C 50 29.534 28.963 0.571 1
1 562 . 1 1 1 A 50 50 GLU C C 50 176.796 177.323 -0.527 1
1 563 . 1 1 1 A 51 51 ASN N N 51 112.673 116.530 -3.857 1
1 564 . 1 1 1 A 51 51 ASN H H 51 8.535 7.708 0.827 1
1 565 . 1 1 1 A 51 51 ASN CA C 51 53.328 54.853 -1.525 1
1 566 . 1 1 1 A 51 51 ASN HA H 51 4.968 4.754 0.214 1
1 567 . 1 1 1 A 51 51 ASN CB C 51 41.171 39.203 1.968 1
1 573 . 1 1 1 A 51 51 ASN C C 51 174.756 174.976 -0.220 1
1 574 . 1 1 1 A 52 52 TRP N N 52 121.399 117.123 4.276 1
1 575 . 1 1 1 A 52 52 TRP H H 52 7.726 8.106 -0.380 1
1 576 . 1 1 1 A 52 52 TRP CA C 52 57.485 55.690 1.795 1
1 577 . 1 1 1 A 52 52 TRP HA H 52 5.072 5.297 -0.225 1
1 578 . 1 1 1 A 52 52 TRP CB C 52 31.703 30.929 0.774 1
1 593 . 1 1 1 A 52 52 TRP C C 52 174.756 175.535 -0.779 1
1 594 . 1 1 1 A 53 53 TYR N N 53 118.564 122.070 -3.506 1
1 595 . 1 1 1 A 53 53 TYR H H 53 8.443 9.140 -0.697 1
1 596 . 1 1 1 A 53 53 TYR CA C 53 57.305 56.270 1.035 1
1 597 . 1 1 1 A 53 53 TYR HA H 53 4.978 4.793 0.185 1
1 598 . 1 1 1 A 53 53 TYR CB C 53 44.030 41.406 2.624 1
1 609 . 1 1 1 A 53 53 TYR C C 53 174.045 173.972 0.073 1
1 610 . 1 1 1 A 54 54 GLU N N 54 117.557 124.564 -7.007 1
1 611 . 1 1 1 A 54 54 GLU H H 54 8.906 8.915 -0.009 1
1 612 . 1 1 1 A 54 54 GLU CA C 54 54.986 55.123 -0.137 1
1 613 . 1 1 1 A 54 54 GLU HA H 54 5.059 5.028 0.031 1
1 614 . 1 1 1 A 54 54 GLU CB C 54 32.458 31.818 0.640 1
1 620 . 1 1 1 A 54 54 GLU C C 54 176.438 175.760 0.678 1
1 621 . 1 1 1 A 55 55 GLY N N 55 114.051 111.925 2.126 1
1 622 . 1 1 1 A 55 55 GLY H H 55 9.556 8.359 1.197 1
1 623 . 1 1 1 A 55 55 GLY CA C 55 45.816 46.245 -0.429 1
1 624 . 1 1 1 A 55 55 GLY HA2 H 55 5.166 4.485 0.681 1
1 625 . 1 1 1 A 55 55 GLY HA3 H 55 3.929 4.607 -0.678 1
1 626 . 1 1 1 A 55 55 GLY C C 55 169.584 172.298 -2.714 1
1 627 . 1 1 1 A 56 56 ARG N N 56 116.523 118.497 -1.974 1
1 628 . 1 1 1 A 56 56 ARG H H 56 9.093 8.677 0.416 1
1 629 . 1 1 1 A 56 56 ARG CA C 56 53.977 54.428 -0.451 1
1 630 . 1 1 1 A 56 56 ARG HA H 56 5.528 5.179 0.349 1
1 631 . 1 1 1 A 56 56 ARG CB C 56 34.963 34.523 0.440 1
1 640 . 1 1 1 A 56 56 ARG C C 56 174.325 174.136 0.189 1
1 641 . 1 1 1 A 57 57 ILE N N 57 123.690 123.631 0.059 1
1 642 . 1 1 1 A 57 57 ILE H H 57 8.230 8.911 -0.681 1
1 643 . 1 1 1 A 57 57 ILE CA C 57 59.706 60.572 -0.866 1
1 644 . 1 1 1 A 57 57 ILE HA H 57 4.585 4.546 0.039 1
1 645 . 1 1 1 A 57 57 ILE CB C 57 35.623 37.695 -2.072 1
1 658 . 1 1 1 A 57 57 ILE C C 57 177.239 175.628 1.611 1
1 659 . 1 1 1 A 58 58 THR N N 58 112.797 123.073 -10.276 1
1 660 . 1 1 1 A 58 58 THR H H 58 8.805 8.567 0.238 1
1 661 . 1 1 1 A 58 58 THR CA C 58 65.598 63.733 1.865 1
1 662 . 1 1 1 A 58 58 THR HA H 58 3.857 4.138 -0.281 1
1 663 . 1 1 1 A 58 58 THR CB C 58 68.553 68.681 -0.128 1
1 669 . 1 1 1 A 59 59 GLY CA C 59 45.463 45.249 0.214 1
1 670 . 1 1 1 A 59 59 GLY HA2 H 59 3.834 4.003 -0.169 1
1 671 . 1 1 1 A 59 59 GLY HA3 H 59 4.266 4.006 0.260 1
1 672 . 1 1 1 A 59 59 GLY C C 59 174.543 174.530 0.013 1
1 673 . 1 1 1 A 60 60 THR N N 60 108.632 112.176 -3.544 1
1 674 . 1 1 1 A 60 60 THR H H 60 7.779 7.972 -0.193 1
1 675 . 1 1 1 A 60 60 THR CA C 60 61.017 62.730 -1.713 1
1 676 . 1 1 1 A 60 60 THR HA H 60 4.892 4.499 0.393 1
1 677 . 1 1 1 A 60 60 THR CB C 60 72.426 70.749 1.677 1
1 683 . 1 1 1 A 60 60 THR C C 60 175.144 175.513 -0.369 1
1 684 . 1 1 1 A 61 61 GLY CA C 61 45.320 45.241 0.079 1
1 685 . 1 1 1 A 61 61 GLY HA2 H 61 3.930 4.077 -0.147 1
1 686 . 1 1 1 A 61 61 GLY HA3 H 61 4.183 4.078 0.105 1
1 687 . 1 1 1 A 61 61 GLY C C 61 174.641 174.680 -0.039 1
1 688 . 1 1 1 A 62 62 ARG N N 62 121.575 121.300 0.275 1
1 689 . 1 1 1 A 62 62 ARG H H 62 8.229 7.971 0.258 1
1 690 . 1 1 1 A 62 62 ARG CA C 62 56.440 57.091 -0.651 1
1 691 . 1 1 1 A 62 62 ARG HA H 62 4.380 4.310 0.070 1
1 692 . 1 1 1 A 62 62 ARG CB C 62 30.667 31.425 -0.758 1
1 701 . 1 1 1 A 62 62 ARG C C 62 174.530 175.950 -1.420 1
1 702 . 1 1 1 A 63 63 GLN N N 63 124.206 122.468 1.738 1
1 703 . 1 1 1 A 63 63 GLN H H 63 8.473 8.634 -0.161 1
1 704 . 1 1 1 A 63 63 GLN CA C 63 54.768 55.468 -0.700 1
1 705 . 1 1 1 A 63 63 GLN HA H 63 5.449 4.959 0.490 1
1 706 . 1 1 1 A 63 63 GLN CB C 63 32.243 31.888 0.355 1
1 715 . 1 1 1 A 63 63 GLN C C 63 174.555 174.740 -0.185 1
1 716 . 1 1 1 A 64 64 GLY N N 64 111.132 110.784 0.348 1
1 717 . 1 1 1 A 64 64 GLY H H 64 8.962 8.067 0.895 1
1 718 . 1 1 1 A 64 64 GLY CA C 64 45.780 45.973 -0.193 1
1 719 . 1 1 1 A 64 64 GLY HA2 H 64 4.498 4.262 0.236 1
1 720 . 1 1 1 A 64 64 GLY HA3 H 64 4.351 4.304 0.047 1
1 721 . 1 1 1 A 64 64 GLY C C 64 172.117 172.081 0.036 1
1 722 . 1 1 1 A 65 65 ILE N N 65 114.051 118.376 -4.325 1
1 723 . 1 1 1 A 65 65 ILE H H 65 8.824 8.966 -0.142 1
1 724 . 1 1 1 A 65 65 ILE CA C 65 59.949 58.784 1.165 1
1 725 . 1 1 1 A 65 65 ILE HA H 65 6.195 4.882 1.313 1
1 726 . 1 1 1 A 65 65 ILE CB C 65 41.669 40.886 0.783 1
1 739 . 1 1 1 A 65 65 ILE C C 65 176.874 175.132 1.742 1
1 740 . 1 1 1 A 66 66 PHE N N 66 116.902 118.485 -1.583 1
1 741 . 1 1 1 A 66 66 PHE H H 66 8.770 8.142 0.628 1
1 742 . 1 1 1 A 66 66 PHE CA C 66 56.114 55.246 0.868 1
1 743 . 1 1 1 A 66 66 PHE HA H 66 4.952 4.837 0.115 1
1 744 . 1 1 1 A 66 66 PHE CB C 66 38.504 39.470 -0.966 1
1 757 . 1 1 1 A 66 66 PHE C C 66 170.992 171.526 -0.534 1
1 758 . 1 1 1 A 67 67 PRO CA C 67 61.161 62.597 -1.436 1
1 759 . 1 1 1 A 67 67 PRO HA H 67 3.678 4.255 -0.577 1
1 760 . 1 1 1 A 67 67 PRO CB C 67 30.788 31.492 -0.704 1
1 769 . 1 1 1 A 67 67 PRO C C 67 177.819 177.614 0.205 1
1 770 . 1 1 1 A 68 68 ALA N N 68 126.195 128.414 -2.219 1
1 771 . 1 1 1 A 68 68 ALA H H 68 8.458 8.819 -0.361 1
1 772 . 1 1 1 A 68 68 ALA CA C 68 54.676 55.510 -0.834 1
1 773 . 1 1 1 A 68 68 ALA HA H 68 4.008 4.206 -0.198 1
1 774 . 1 1 1 A 68 68 ALA CB C 68 18.986 18.555 0.431 1
1 778 . 1 1 1 A 68 68 ALA C C 68 178.933 179.696 -0.763 1
1 779 . 1 1 1 A 69 69 SER N N 69 110.156 112.682 -2.526 1
1 780 . 1 1 1 A 69 69 SER H H 69 8.370 8.442 -0.072 1
1 781 . 1 1 1 A 69 69 SER CA C 69 60.250 61.049 -0.799 1
1 782 . 1 1 1 A 69 69 SER HA H 69 4.265 4.165 0.100 1
1 783 . 1 1 1 A 69 69 SER CB C 69 62.718 62.973 -0.255 1
1 786 . 1 1 1 A 69 69 SER C C 69 175.748 176.178 -0.430 1
1 787 . 1 1 1 A 70 70 TYR N N 70 119.475 118.164 1.311 1
1 788 . 1 1 1 A 70 70 TYR H H 70 7.728 7.620 0.108 1
1 789 . 1 1 1 A 70 70 TYR CA C 70 60.061 60.223 -0.162 1
1 790 . 1 1 1 A 70 70 TYR HA H 70 4.620 4.435 0.185 1
1 791 . 1 1 1 A 70 70 TYR CB C 70 39.039 39.499 -0.460 1
1 802 . 1 1 1 A 70 70 TYR C C 70 176.140 176.311 -0.171 1
1 803 . 1 1 1 A 71 71 VAL N N 71 110.320 116.667 -6.347 1
1 804 . 1 1 1 A 71 71 VAL H H 71 8.064 7.678 0.386 1
1 805 . 1 1 1 A 71 71 VAL CA C 71 58.737 60.096 -1.359 1
1 806 . 1 1 1 A 71 71 VAL HA H 71 5.073 4.525 0.548 1
1 807 . 1 1 1 A 71 71 VAL CB C 71 35.550 34.175 1.375 1
1 817 . 1 1 1 A 71 71 VAL C C 71 173.044 173.979 -0.935 1
1 818 . 1 1 1 A 72 72 GLN N N 72 119.621 121.462 -1.841 1
1 819 . 1 1 1 A 72 72 GLN H H 72 8.448 8.938 -0.490 1
1 820 . 1 1 1 A 72 72 GLN CA C 72 54.351 54.133 0.218 1
1 821 . 1 1 1 A 72 72 GLN HA H 72 4.724 4.936 -0.212 1
1 822 . 1 1 1 A 72 72 GLN CB C 72 30.373 32.237 -1.864 1
1 831 . 1 1 1 A 72 72 GLN C C 72 176.050 174.218 1.832 1
1 832 . 1 1 1 A 73 73 VAL N N 73 130.439 127.710 2.729 1
1 833 . 1 1 1 A 73 73 VAL H H 73 9.369 8.897 0.472 1
1 834 . 1 1 1 A 73 73 VAL CA C 73 63.957 62.555 1.402 1
1 835 . 1 1 1 A 73 73 VAL HA H 73 3.856 4.054 -0.198 1
1 836 . 1 1 1 A 73 73 VAL CB C 73 32.616 31.780 0.836 1
1 846 . 1 1 1 A 73 73 VAL C C 73 176.043 175.433 0.610 1
1 847 . 1 1 1 A 74 74 SER N N 74 123.766 122.100 1.666 1
1 848 . 1 1 1 A 74 74 SER H H 74 8.708 8.482 0.226 1
1 849 . 1 1 1 A 74 74 SER CA C 74 58.930 59.426 -0.496 1
1 850 . 1 1 1 A 74 74 SER HA H 74 4.627 4.734 -0.107 1
1 851 . 1 1 1 A 74 74 SER CB C 74 63.548 65.348 -1.800 1
1 854 . 1 1 1 A 74 74 SER C C 74 174.821 174.864 -0.043 1
1 855 . 1 1 1 A 75 75 ARG N N 75 122.335 120.546 1.789 1
1 856 . 1 1 1 A 75 75 ARG H H 75 7.690 7.616 0.074 1
1 857 . 1 1 1 A 75 75 ARG CA C 75 56.185 54.992 1.193 1
1 858 . 1 1 1 A 75 75 ARG HA H 75 4.526 4.818 -0.292 1
1 859 . 1 1 1 A 75 75 ARG CB C 75 33.734 32.934 0.800 1
1 868 . 1 1 1 A 75 75 ARG C C 75 174.824 174.782 0.042 1
1 869 . 1 1 1 A 76 76 GLU N N 76 126.797 126.884 -0.087 1
1 870 . 1 1 1 A 76 76 GLU H H 76 8.916 8.626 0.290 1
1 871 . 1 1 1 A 76 76 GLU CA C 76 54.874 54.969 -0.095 1
1 872 . 1 1 1 A 76 76 GLU HA H 76 4.561 4.564 -0.003 1
1 873 . 1 1 1 A 76 76 GLU CB C 76 28.925 29.289 -0.364 1
1 879 . 1 1 1 A 76 76 GLU C C 76 175.557 175.089 0.468 1
1 880 . 1 1 1 A 77 77 PRO CA C 77 62.726 62.406 0.320 1
1 881 . 1 1 1 A 77 77 PRO HA H 77 4.584 4.655 -0.071 1
1 882 . 1 1 1 A 77 77 PRO CB C 77 32.153 33.236 -1.083 1
1 891 . 1 1 1 A 78 78 ARG N N 78 120.959 121.421 -0.462 1
1 892 . 1 1 1 A 78 78 ARG H H 78 8.814 8.664 0.150 1
1 893 . 1 1 1 A 78 78 ARG CA C 78 55.491 55.287 0.204 1
1 894 . 1 1 1 A 78 78 ARG HA H 78 4.743 4.606 0.137 1
1 895 . 1 1 1 A 78 78 ARG CB C 78 33.443 32.815 0.628 1
1 904 . 1 1 1 A 79 79 LEU N N 79 125.756 127.681 -1.925 1
1 905 . 1 1 1 A 79 79 LEU H H 79 8.789 8.780 0.009 1
1 906 . 1 1 1 A 79 79 LEU CA C 79 54.346 54.535 -0.189 1
1 907 . 1 1 1 A 79 79 LEU HA H 79 5.007 4.565 0.442 1
1 908 . 1 1 1 A 79 79 LEU CB C 79 44.609 41.868 2.741 1
1 917 . 1 1 1 A 80 80 ARG N N 80 121.792 115.355 6.437 1
1 918 . 1 1 1 A 80 80 ARG H H 80 8.908 8.036 0.872 1
1 919 . 1 1 1 A 80 80 ARG CA C 80 54.966 57.023 -2.057 1
1 920 . 1 1 1 A 80 80 ARG HA H 80 4.611 3.980 0.631 1
1 921 . 1 1 1 A 80 80 ARG CB C 80 32.686 26.999 5.687 1
1 924 . 1 1 1 A 81 81 LEU N N 81 126.556 117.668 8.888 1
1 925 . 1 1 1 A 81 81 LEU H H 81 8.702 7.943 0.759 1
1 926 . 1 1 1 A 81 81 LEU CA C 81 55.199 56.983 -1.784 1
1 927 . 1 1 1 A 81 81 LEU HA H 81 4.472 4.184 0.288 1
1 928 . 1 1 1 A 81 81 LEU CB C 81 42.368 42.792 -0.424 1
1 941 . 1 1 1 A 82 82 CYS N N 82 121.583 114.715 6.868 1
1 942 . 1 1 1 A 82 82 CYS H H 82 8.466 7.903 0.563 1
1 943 . 1 1 1 A 82 82 CYS CA C 82 58.583 57.754 0.829 1
1 944 . 1 1 1 A 82 82 CYS HA H 82 4.475 4.814 -0.339 1
1 945 . 1 1 1 A 82 82 CYS CB C 82 28.438 31.721 -3.283 1
1 948 . 1 1 1 A 83 83 ASP N N 83 122.639 121.504 1.135 1
1 949 . 1 1 1 A 83 83 ASP H H 83 8.400 8.811 -0.411 1
1 950 . 1 1 1 A 83 83 ASP CA C 83 54.210 52.593 1.617 1
1 951 . 1 1 1 A 83 83 ASP HA H 83 4.654 5.396 -0.742 1
1 952 . 1 1 1 A 83 83 ASP CB C 83 41.291 41.809 -0.518 1
1 955 . 1 1 1 A 83 83 ASP C C 83 175.900 174.232 1.668 1
1 956 . 1 1 1 A 84 84 ASP N N 84 121.113 125.945 -4.832 1
1 957 . 1 1 1 A 84 84 ASP H H 84 8.310 8.488 -0.178 1
1 958 . 1 1 1 A 84 84 ASP CA C 84 54.330 54.931 -0.601 1
1 959 . 1 1 1 A 84 84 ASP HA H 84 4.650 4.645 0.005 1
1 960 . 1 1 1 A 84 84 ASP CB C 84 41.283 41.203 0.080 1
1 963 . 1 1 1 A 84 84 ASP C C 84 176.407 176.108 0.299 1
1 964 . 1 1 1 A 85 85 SER N N 85 116.212 120.696 -4.484 1
1 965 . 1 1 1 A 85 85 SER H H 85 8.332 8.730 -0.398 1
1 966 . 1 1 1 A 85 85 SER CA C 85 58.819 59.081 -0.262 1
1 967 . 1 1 1 A 85 85 SER HA H 85 4.438 4.582 -0.144 1
1 968 . 1 1 1 A 85 85 SER CB C 85 63.961 62.717 1.244 1
1 971 . 1 1 1 A 85 85 SER C C 85 174.867 175.126 -0.259 1
1 972 . 1 1 1 A 86 86 GLY N N 86 110.652 115.079 -4.427 1
1 973 . 1 1 1 A 86 86 GLY H H 86 8.251 9.052 -0.801 1
1 974 . 1 1 1 A 86 86 GLY CA C 86 44.758 47.000 -2.242 1
1 975 . 1 1 1 A 86 86 GLY HA2 H 86 4.109 3.896 0.213 1
1 976 . 1 1 1 A 86 86 GLY HA3 H 86 4.109 3.896 0.213 1
1 977 . 1 1 1 A 86 86 GLY C C 86 171.914 175.594 -3.680 1
1 978 . 1 1 1 A 87 87 PRO CA C 87 63.192 64.813 -1.621 1
1 979 . 1 1 1 A 87 87 PRO HA H 87 4.484 4.477 0.007 1
1 980 . 1 1 1 A 87 87 PRO CB C 87 32.243 32.083 0.160 1
1 989 . 1 1 1 A 87 87 PRO C C 87 177.470 176.006 1.464 1
1 990 . 1 1 1 A 88 88 SER N N 88 116.433 107.817 8.616 1
1 991 . 1 1 1 A 88 88 SER H H 88 8.518 7.482 1.036 1
1 992 . 1 1 1 A 88 88 SER CA C 88 58.330 56.866 1.464 1
1 993 . 1 1 1 A 88 88 SER HA H 88 4.571 4.740 -0.169 1
1 994 . 1 1 1 A 88 88 SER CB C 88 63.896 66.001 -2.105 1
1 997 . 1 1 1 A 88 88 SER C C 88 174.747 174.259 0.488 1
1 998 . 1 1 1 A 89 89 SER N N 89 117.882 118.419 -0.537 1
1 999 . 1 1 1 A 89 89 SER H H 89 8.335 8.864 -0.529 1
1 1000 . 1 1 1 A 89 89 SER CA C 89 58.497 60.395 -1.898 1
1 1001 . 1 1 1 A 89 89 SER CB C 89 64.209 63.637 0.572 1
1 1004 . 1 1 1 A 89 89 SER C C 89 174.100 175.229 -1.129 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.146 47.252 -2.106 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.966 3.912 0.054 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.966 3.913 0.053 1
1 4 . 2 1 1 A 7 7 GLY C C 7 173.687 173.976 -0.289 1
1 5 . 2 1 1 A 8 8 LYS N N 8 122.140 121.215 0.925 1
1 6 . 2 1 1 A 8 8 LYS H H 8 8.107 7.975 0.132 1
1 7 . 2 1 1 A 8 8 LYS CA C 8 54.053 54.376 -0.323 1
1 8 . 2 1 1 A 8 8 LYS HA H 8 4.620 4.596 0.024 1
1 9 . 2 1 1 A 8 8 LYS CB C 8 32.649 33.127 -0.478 1
1 21 . 2 1 1 A 8 8 LYS C C 8 174.270 175.265 -0.995 1
1 22 . 2 1 1 A 9 9 PRO CA C 9 61.632 61.683 -0.051 1
1 23 . 2 1 1 A 9 9 PRO HA H 9 4.687 4.655 0.032 1
1 24 . 2 1 1 A 9 9 PRO CB C 9 30.855 32.322 -1.467 1
1 33 . 2 1 1 A 10 10 PRO CA C 10 62.942 64.313 -1.371 1
1 34 . 2 1 1 A 10 10 PRO HA H 10 4.473 4.403 0.070 1
1 35 . 2 1 1 A 10 10 PRO CB C 10 32.197 31.523 0.674 1
1 44 . 2 1 1 A 11 11 THR N N 11 128.434 113.331 15.103 1
1 45 . 2 1 1 A 11 11 THR H H 11 8.172 7.654 0.518 1
1 46 . 2 1 1 A 11 11 THR CA C 11 61.644 61.358 0.286 1
1 47 . 2 1 1 A 11 11 THR HA H 11 4.357 4.795 -0.438 1
1 48 . 2 1 1 A 11 11 THR CB C 11 70.204 71.175 -0.971 1
1 54 . 2 1 1 A 12 12 TYR N N 12 120.312 126.703 -6.391 1
1 55 . 2 1 1 A 12 12 TYR H H 12 8.033 8.895 -0.862 1
1 56 . 2 1 1 A 12 12 TYR CA C 12 56.633 58.251 -1.618 1
1 57 . 2 1 1 A 12 12 TYR HA H 12 4.967 4.470 0.497 1
1 58 . 2 1 1 A 12 12 TYR CB C 12 40.403 38.786 1.617 1
1 69 . 2 1 1 A 13 13 GLN H H 13 8.634 8.503 0.131 1
1 70 . 2 1 1 A 13 13 GLN CA C 13 54.519 56.245 -1.726 1
1 71 . 2 1 1 A 13 13 GLN HA H 13 4.626 4.081 0.545 1
1 72 . 2 1 1 A 13 13 GLN CB C 13 31.183 28.934 2.249 1
1 81 . 2 1 1 A 14 14 VAL N N 14 124.270 122.158 2.112 1
1 82 . 2 1 1 A 14 14 VAL H H 14 8.773 8.570 0.203 1
1 83 . 2 1 1 A 14 14 VAL CA C 14 62.977 62.833 0.144 1
1 84 . 2 1 1 A 14 14 VAL HA H 14 4.018 4.231 -0.213 1
1 85 . 2 1 1 A 14 14 VAL CB C 14 32.909 30.668 2.241 1
1 95 . 2 1 1 A 15 15 LEU N N 15 128.403 124.603 3.800 1
1 96 . 2 1 1 A 15 15 LEU H H 15 8.726 8.333 0.393 1
1 97 . 2 1 1 A 15 15 LEU CA C 15 55.620 52.743 2.877 1
1 98 . 2 1 1 A 15 15 LEU HA H 15 4.412 5.298 -0.886 1
1 99 . 2 1 1 A 15 15 LEU CB C 15 42.580 45.661 -3.081 1
1 112 . 2 1 1 A 16 16 GLU H H 16 8.687 8.628 0.059 1
1 113 . 2 1 1 A 16 16 GLU CA C 16 55.492 55.885 -0.393 1
1 114 . 2 1 1 A 16 16 GLU HA H 16 4.401 4.671 -0.270 1
1 115 . 2 1 1 A 16 16 GLU CB C 16 32.409 30.074 2.335 1
1 120 . 2 1 1 A 17 17 TYR N N 17 124.726 118.998 5.728 1
1 121 . 2 1 1 A 17 17 TYR H H 17 8.505 7.742 0.763 1
1 122 . 2 1 1 A 17 17 TYR CA C 17 58.490 56.681 1.809 1
1 123 . 2 1 1 A 17 17 TYR HA H 17 4.598 4.908 -0.310 1
1 124 . 2 1 1 A 17 17 TYR CB C 17 38.814 42.537 -3.723 1
1 135 . 2 1 1 A 18 18 GLY N N 18 106.652 111.141 -4.489 1
1 136 . 2 1 1 A 18 18 GLY H H 18 9.176 8.380 0.796 1
1 137 . 2 1 1 A 18 18 GLY CA C 18 43.947 44.502 -0.555 1
1 138 . 2 1 1 A 18 18 GLY HA2 H 18 3.646 4.028 -0.382 1
1 139 . 2 1 1 A 18 18 GLY HA3 H 18 4.287 4.041 0.246 1
1 140 . 2 1 1 A 19 19 GLU N N 19 122.571 121.242 1.329 1
1 141 . 2 1 1 A 19 19 GLU H H 19 9.450 8.674 0.776 1
1 142 . 2 1 1 A 19 19 GLU CA C 19 56.496 55.146 1.350 1
1 143 . 2 1 1 A 19 19 GLU HA H 19 5.218 5.267 -0.049 1
1 144 . 2 1 1 A 19 19 GLU CB C 19 34.419 33.421 0.998 1
1 149 . 2 1 1 A 19 19 GLU C C 19 173.496 175.136 -1.640 1
1 150 . 2 1 1 A 20 20 ALA N N 20 125.442 127.871 -2.429 1
1 151 . 2 1 1 A 20 20 ALA H H 20 8.813 8.726 0.087 1
1 152 . 2 1 1 A 20 20 ALA CA C 20 50.154 50.829 -0.675 1
1 153 . 2 1 1 A 20 20 ALA HA H 20 5.132 5.090 0.042 1
1 154 . 2 1 1 A 20 20 ALA CB C 20 24.742 23.529 1.213 1
1 158 . 2 1 1 A 20 20 ALA C C 20 174.555 174.988 -0.433 1
1 159 . 2 1 1 A 21 21 VAL N N 21 117.729 119.381 -1.652 1
1 160 . 2 1 1 A 21 21 VAL H H 21 8.118 8.406 -0.288 1
1 161 . 2 1 1 A 21 21 VAL CA C 21 60.211 59.832 0.379 1
1 162 . 2 1 1 A 21 21 VAL HA H 21 4.478 4.398 0.080 1
1 163 . 2 1 1 A 21 21 VAL CB C 21 34.751 34.934 -0.183 1
1 173 . 2 1 1 A 21 21 VAL C C 21 176.351 174.951 1.400 1
1 174 . 2 1 1 A 22 22 ALA N N 22 130.024 129.038 0.986 1
1 175 . 2 1 1 A 22 22 ALA H H 22 8.689 8.357 0.332 1
1 176 . 2 1 1 A 22 22 ALA CA C 22 53.496 52.819 0.677 1
1 177 . 2 1 1 A 22 22 ALA HA H 22 4.170 4.040 0.130 1
1 178 . 2 1 1 A 22 22 ALA CB C 22 20.793 18.611 2.182 1
1 182 . 2 1 1 A 22 22 ALA C C 22 178.156 176.544 1.612 1
1 183 . 2 1 1 A 23 23 GLN N N 23 126.904 122.734 4.170 1
1 184 . 2 1 1 A 23 23 GLN H H 23 9.442 8.540 0.902 1
1 185 . 2 1 1 A 23 23 GLN CA C 23 55.611 57.211 -1.600 1
1 186 . 2 1 1 A 23 23 GLN HA H 23 4.202 4.278 -0.076 1
1 187 . 2 1 1 A 23 23 GLN CB C 23 30.345 30.130 0.215 1
1 196 . 2 1 1 A 23 23 GLN C C 23 173.200 175.524 -2.324 1
1 197 . 2 1 1 A 24 24 TYR N N 24 115.157 116.609 -1.452 1
1 198 . 2 1 1 A 24 24 TYR H H 24 7.696 7.489 0.207 1
1 199 . 2 1 1 A 24 24 TYR CA C 24 55.303 56.736 -1.433 1
1 200 . 2 1 1 A 24 24 TYR HA H 24 4.847 5.324 -0.477 1
1 201 . 2 1 1 A 24 24 TYR CB C 24 43.087 42.206 0.881 1
1 212 . 2 1 1 A 24 24 TYR C C 24 173.829 175.869 -2.040 1
1 213 . 2 1 1 A 25 25 THR N N 25 118.997 120.022 -1.025 1
1 214 . 2 1 1 A 25 25 THR H H 25 8.697 8.972 -0.275 1
1 215 . 2 1 1 A 25 25 THR CA C 25 63.201 64.259 -1.058 1
1 216 . 2 1 1 A 25 25 THR HA H 25 4.483 4.468 0.015 1
1 217 . 2 1 1 A 25 25 THR CB C 25 70.228 68.955 1.273 1
1 223 . 2 1 1 A 25 25 THR C C 25 173.214 174.306 -1.092 1
1 224 . 2 1 1 A 26 26 PHE N N 26 129.691 128.023 1.668 1
1 225 . 2 1 1 A 26 26 PHE H H 26 8.460 8.618 -0.158 1
1 226 . 2 1 1 A 26 26 PHE CA C 26 55.887 57.825 -1.938 1
1 227 . 2 1 1 A 26 26 PHE HA H 26 4.631 5.027 -0.396 1
1 228 . 2 1 1 A 26 26 PHE CB C 26 42.134 40.474 1.660 1
1 241 . 2 1 1 A 26 26 PHE C C 26 173.089 174.532 -1.443 1
1 242 . 2 1 1 A 27 27 LYS N N 27 129.755 125.426 4.329 1
1 243 . 2 1 1 A 27 27 LYS H H 27 7.879 7.144 0.735 1
1 244 . 2 1 1 A 27 27 LYS CA C 27 54.562 54.823 -0.261 1
1 245 . 2 1 1 A 27 27 LYS HA H 27 4.023 4.585 -0.562 1
1 246 . 2 1 1 A 27 27 LYS CB C 27 32.490 35.453 -2.963 1
1 258 . 2 1 1 A 27 27 LYS C C 27 174.852 174.125 0.727 1
1 259 . 2 1 1 A 28 28 GLY N N 28 113.171 113.963 -0.792 1
1 260 . 2 1 1 A 28 28 GLY H H 28 7.726 8.548 -0.822 1
1 261 . 2 1 1 A 28 28 GLY CA C 28 45.922 44.381 1.541 1
1 262 . 2 1 1 A 28 28 GLY HA2 H 28 3.151 4.297 -1.146 1
1 263 . 2 1 1 A 28 28 GLY HA3 H 28 3.619 4.547 -0.928 1
1 264 . 2 1 1 A 28 28 GLY C C 28 173.250 173.821 -0.571 1
1 265 . 2 1 1 A 29 29 ASP N N 29 121.578 121.628 -0.050 1
1 266 . 2 1 1 A 29 29 ASP H H 29 8.743 8.782 -0.039 1
1 267 . 2 1 1 A 29 29 ASP CA C 29 55.162 55.872 -0.710 1
1 268 . 2 1 1 A 29 29 ASP HA H 29 4.616 4.620 -0.004 1
1 269 . 2 1 1 A 29 29 ASP CB C 29 42.815 41.763 1.052 1
1 272 . 2 1 1 A 29 29 ASP C C 29 176.583 176.130 0.453 1
1 273 . 2 1 1 A 30 30 LEU N N 30 119.139 120.583 -1.444 1
1 274 . 2 1 1 A 30 30 LEU H H 30 8.069 7.644 0.425 1
1 275 . 2 1 1 A 30 30 LEU CA C 30 54.174 55.098 -0.924 1
1 276 . 2 1 1 A 30 30 LEU HA H 30 4.585 4.238 0.347 1
1 277 . 2 1 1 A 30 30 LEU CB C 30 44.109 42.404 1.705 1
1 290 . 2 1 1 A 30 30 LEU C C 30 179.241 177.826 1.415 1
1 291 . 2 1 1 A 31 31 GLU N N 31 122.182 124.513 -2.331 1
1 292 . 2 1 1 A 31 31 GLU H H 31 8.905 9.142 -0.237 1
1 293 . 2 1 1 A 31 31 GLU CA C 31 59.392 60.190 -0.798 1
1 294 . 2 1 1 A 31 31 GLU HA H 31 4.151 3.904 0.247 1
1 295 . 2 1 1 A 31 31 GLU CB C 31 29.605 29.769 -0.164 1
1 301 . 2 1 1 A 31 31 GLU C C 31 177.520 178.201 -0.681 1
1 302 . 2 1 1 A 32 32 VAL N N 32 108.281 118.431 -10.150 1
1 303 . 2 1 1 A 32 32 VAL H H 32 7.186 7.944 -0.758 1
1 304 . 2 1 1 A 32 32 VAL CA C 32 61.950 65.377 -3.427 1
1 305 . 2 1 1 A 32 32 VAL HA H 32 4.365 3.829 0.536 1
1 306 . 2 1 1 A 32 32 VAL CB C 32 32.222 31.105 1.117 1
1 316 . 2 1 1 A 32 32 VAL C C 32 176.602 176.727 -0.125 1
1 317 . 2 1 1 A 33 33 GLU N N 33 120.835 120.621 0.214 1
1 318 . 2 1 1 A 33 33 GLU H H 33 7.751 7.904 -0.153 1
1 319 . 2 1 1 A 33 33 GLU CA C 33 55.560 56.011 -0.451 1
1 320 . 2 1 1 A 33 33 GLU HA H 33 5.106 4.690 0.416 1
1 321 . 2 1 1 A 33 33 GLU CB C 33 31.354 28.855 2.499 1
1 327 . 2 1 1 A 33 33 GLU C C 33 176.180 175.988 0.192 1
1 328 . 2 1 1 A 34 34 LEU N N 34 126.568 128.724 -2.156 1
1 329 . 2 1 1 A 34 34 LEU H H 34 9.073 9.109 -0.036 1
1 330 . 2 1 1 A 34 34 LEU CA C 34 53.385 55.823 -2.438 1
1 331 . 2 1 1 A 34 34 LEU HA H 34 4.481 4.476 0.005 1
1 332 . 2 1 1 A 34 34 LEU CB C 34 44.305 42.872 1.433 1
1 345 . 2 1 1 A 34 34 LEU C C 34 173.373 175.569 -2.196 1
1 346 . 2 1 1 A 35 35 SER N N 35 116.987 123.454 -6.467 1
1 347 . 2 1 1 A 35 35 SER H H 35 7.561 8.558 -0.997 1
1 348 . 2 1 1 A 35 35 SER CA C 35 58.335 57.536 0.799 1
1 349 . 2 1 1 A 35 35 SER HA H 35 4.569 5.352 -0.783 1
1 350 . 2 1 1 A 35 35 SER CB C 35 64.536 65.635 -1.099 1
1 353 . 2 1 1 A 35 35 SER C C 35 174.513 173.750 0.763 1
1 354 . 2 1 1 A 36 36 PHE N N 36 117.028 120.728 -3.700 1
1 355 . 2 1 1 A 36 36 PHE H H 36 8.339 8.559 -0.220 1
1 356 . 2 1 1 A 36 36 PHE CA C 36 55.938 55.618 0.320 1
1 357 . 2 1 1 A 36 36 PHE HA H 36 4.647 5.204 -0.557 1
1 358 . 2 1 1 A 36 36 PHE CB C 36 39.959 41.550 -1.591 1
1 371 . 2 1 1 A 36 36 PHE C C 36 174.055 172.486 1.569 1
1 372 . 2 1 1 A 37 37 ARG N N 37 120.296 120.490 -0.194 1
1 373 . 2 1 1 A 37 37 ARG H H 37 9.859 8.673 1.186 1
1 374 . 2 1 1 A 37 37 ARG CA C 37 53.915 54.408 -0.493 1
1 375 . 2 1 1 A 37 37 ARG HA H 37 4.929 4.933 -0.004 1
1 376 . 2 1 1 A 37 37 ARG CB C 37 32.735 32.279 0.456 1
1 385 . 2 1 1 A 37 37 ARG C C 37 175.793 175.723 0.070 1
1 386 . 2 1 1 A 38 38 LYS N N 38 121.649 122.501 -0.852 1
1 387 . 2 1 1 A 38 38 LYS H H 38 7.938 8.630 -0.692 1
1 388 . 2 1 1 A 38 38 LYS CA C 38 58.880 58.156 0.724 1
1 389 . 2 1 1 A 38 38 LYS HA H 38 3.291 3.964 -0.673 1
1 390 . 2 1 1 A 38 38 LYS CB C 38 32.755 32.229 0.526 1
1 402 . 2 1 1 A 38 38 LYS C C 38 176.459 177.298 -0.839 1
1 403 . 2 1 1 A 39 39 GLY N N 39 114.431 114.981 -0.550 1
1 404 . 2 1 1 A 39 39 GLY H H 39 8.618 9.064 -0.446 1
1 405 . 2 1 1 A 39 39 GLY CA C 39 44.652 45.055 -0.403 1
1 406 . 2 1 1 A 39 39 GLY HA2 H 39 3.438 3.970 -0.532 1
1 407 . 2 1 1 A 39 39 GLY HA3 H 39 4.399 3.992 0.407 1
1 408 . 2 1 1 A 39 39 GLY C C 39 174.586 174.380 0.206 1
1 409 . 2 1 1 A 40 40 GLU N N 40 119.554 121.432 -1.878 1
1 410 . 2 1 1 A 40 40 GLU H H 40 7.931 8.010 -0.079 1
1 411 . 2 1 1 A 40 40 GLU CA C 40 59.197 57.499 1.698 1
1 412 . 2 1 1 A 40 40 GLU HA H 40 4.272 4.334 -0.062 1
1 413 . 2 1 1 A 40 40 GLU CB C 40 30.759 30.761 -0.002 1
1 419 . 2 1 1 A 40 40 GLU C C 40 175.278 175.339 -0.061 1
1 420 . 2 1 1 A 41 41 HIS N N 41 121.677 120.196 1.481 1
1 421 . 2 1 1 A 41 41 HIS H H 41 8.837 9.013 -0.176 1
1 422 . 2 1 1 A 41 41 HIS CA C 41 56.432 54.899 1.533 1
1 423 . 2 1 1 A 41 41 HIS HA H 41 4.817 5.069 -0.252 1
1 424 . 2 1 1 A 41 41 HIS CB C 41 30.260 31.890 -1.630 1
1 431 . 2 1 1 A 41 41 HIS C C 41 174.622 173.990 0.632 1
1 432 . 2 1 1 A 42 42 ILE N N 42 123.889 123.938 -0.049 1
1 433 . 2 1 1 A 42 42 ILE H H 42 8.753 8.706 0.047 1
1 434 . 2 1 1 A 42 42 ILE CA C 42 60.433 60.074 0.359 1
1 435 . 2 1 1 A 42 42 ILE HA H 42 4.079 4.567 -0.488 1
1 436 . 2 1 1 A 42 42 ILE CB C 42 42.258 39.035 3.223 1
1 449 . 2 1 1 A 42 42 ILE C C 42 174.377 174.824 -0.447 1
1 450 . 2 1 1 A 43 43 CYS N N 43 127.431 127.951 -0.520 1
1 451 . 2 1 1 A 43 43 CYS H H 43 8.877 8.886 -0.009 1
1 452 . 2 1 1 A 43 43 CYS CA C 43 57.909 58.940 -1.031 1
1 453 . 2 1 1 A 43 43 CYS HA H 43 4.654 4.763 -0.109 1
1 454 . 2 1 1 A 43 43 CYS CB C 43 26.650 28.422 -1.772 1
1 457 . 2 1 1 A 43 43 CYS C C 43 174.875 174.124 0.751 1
1 458 . 2 1 1 A 44 44 LEU N N 44 126.732 127.257 -0.525 1
1 459 . 2 1 1 A 44 44 LEU H H 44 7.724 8.508 -0.784 1
1 460 . 2 1 1 A 44 44 LEU CA C 44 53.741 54.552 -0.811 1
1 461 . 2 1 1 A 44 44 LEU HA H 44 4.546 4.418 0.128 1
1 462 . 2 1 1 A 44 44 LEU CB C 44 43.286 40.846 2.440 1
1 475 . 2 1 1 A 44 44 LEU C C 44 175.004 176.209 -1.205 1
1 476 . 2 1 1 A 45 45 ILE N N 45 125.519 127.014 -1.495 1
1 477 . 2 1 1 A 45 45 ILE H H 45 9.058 9.300 -0.242 1
1 478 . 2 1 1 A 45 45 ILE CA C 45 63.488 63.762 -0.274 1
1 479 . 2 1 1 A 45 45 ILE HA H 45 4.121 4.388 -0.267 1
1 480 . 2 1 1 A 45 45 ILE CB C 45 39.808 38.450 1.358 1
1 493 . 2 1 1 A 46 46 ARG N N 46 105.448 120.204 -14.756 1
1 494 . 2 1 1 A 46 46 ARG H H 46 7.377 8.021 -0.644 1
1 495 . 2 1 1 A 46 46 ARG CA C 46 54.848 54.491 0.357 1
1 496 . 2 1 1 A 46 46 ARG HA H 46 4.576 4.686 -0.110 1
1 497 . 2 1 1 A 46 46 ARG CB C 46 32.078 32.182 -0.104 1
1 508 . 2 1 1 A 46 46 ARG C C 46 174.353 175.087 -0.734 1
1 509 . 2 1 1 A 47 47 LYS N N 47 124.397 126.632 -2.235 1
1 510 . 2 1 1 A 47 47 LYS H H 47 9.254 8.663 0.591 1
1 511 . 2 1 1 A 47 47 LYS CA C 47 56.832 57.397 -0.565 1
1 512 . 2 1 1 A 47 47 LYS HA H 47 4.353 4.286 0.067 1
1 513 . 2 1 1 A 47 47 LYS CB C 47 32.868 33.218 -0.350 1
1 525 . 2 1 1 A 47 47 LYS C C 47 176.540 177.598 -1.058 1
1 526 . 2 1 1 A 48 48 VAL N N 48 126.203 127.888 -1.685 1
1 527 . 2 1 1 A 48 48 VAL H H 48 8.289 8.615 -0.326 1
1 528 . 2 1 1 A 48 48 VAL CA C 48 63.966 64.451 -0.485 1
1 529 . 2 1 1 A 48 48 VAL HA H 48 3.784 3.952 -0.168 1
1 530 . 2 1 1 A 48 48 VAL CB C 48 33.030 32.982 0.048 1
1 540 . 2 1 1 A 48 48 VAL C C 48 175.547 175.403 0.144 1
1 541 . 2 1 1 A 49 49 ASN N N 49 115.717 116.871 -1.154 1
1 542 . 2 1 1 A 49 49 ASN H H 49 8.167 7.335 0.832 1
1 543 . 2 1 1 A 49 49 ASN CA C 49 52.768 51.868 0.900 1
1 544 . 2 1 1 A 49 49 ASN HA H 49 4.428 4.994 -0.566 1
1 545 . 2 1 1 A 49 49 ASN CB C 49 37.683 42.334 -4.651 1
1 551 . 2 1 1 A 49 49 ASN C C 49 174.537 175.050 -0.513 1
1 552 . 2 1 1 A 50 50 GLU N N 50 114.361 120.835 -6.474 1
1 553 . 2 1 1 A 50 50 GLU H H 50 8.781 9.076 -0.295 1
1 554 . 2 1 1 A 50 50 GLU CA C 50 59.835 58.403 1.432 1
1 555 . 2 1 1 A 50 50 GLU HA H 50 3.947 4.004 -0.057 1
1 556 . 2 1 1 A 50 50 GLU CB C 50 29.534 28.739 0.795 1
1 562 . 2 1 1 A 50 50 GLU C C 50 176.796 176.201 0.595 1
1 563 . 2 1 1 A 51 51 ASN N N 51 112.673 116.277 -3.604 1
1 564 . 2 1 1 A 51 51 ASN H H 51 8.535 7.739 0.796 1
1 565 . 2 1 1 A 51 51 ASN CA C 51 53.328 54.014 -0.686 1
1 566 . 2 1 1 A 51 51 ASN HA H 51 4.968 4.732 0.236 1
1 567 . 2 1 1 A 51 51 ASN CB C 51 41.171 41.447 -0.276 1
1 573 . 2 1 1 A 51 51 ASN C C 51 174.756 174.802 -0.046 1
1 574 . 2 1 1 A 52 52 TRP N N 52 121.399 117.816 3.583 1
1 575 . 2 1 1 A 52 52 TRP H H 52 7.726 7.684 0.042 1
1 576 . 2 1 1 A 52 52 TRP CA C 52 57.485 55.625 1.860 1
1 577 . 2 1 1 A 52 52 TRP HA H 52 5.072 4.999 0.073 1
1 578 . 2 1 1 A 52 52 TRP CB C 52 31.703 31.683 0.020 1
1 593 . 2 1 1 A 52 52 TRP C C 52 174.756 175.109 -0.353 1
1 594 . 2 1 1 A 53 53 TYR N N 53 118.564 119.301 -0.737 1
1 595 . 2 1 1 A 53 53 TYR H H 53 8.443 8.470 -0.027 1
1 596 . 2 1 1 A 53 53 TYR CA C 53 57.305 56.002 1.303 1
1 597 . 2 1 1 A 53 53 TYR HA H 53 4.978 5.182 -0.204 1
1 598 . 2 1 1 A 53 53 TYR CB C 53 44.030 42.900 1.130 1
1 609 . 2 1 1 A 53 53 TYR C C 53 174.045 173.885 0.160 1
1 610 . 2 1 1 A 54 54 GLU N N 54 117.557 121.614 -4.057 1
1 611 . 2 1 1 A 54 54 GLU H H 54 8.906 8.764 0.142 1
1 612 . 2 1 1 A 54 54 GLU CA C 54 54.986 55.170 -0.184 1
1 613 . 2 1 1 A 54 54 GLU HA H 54 5.059 5.329 -0.270 1
1 614 . 2 1 1 A 54 54 GLU CB C 54 32.458 32.819 -0.361 1
1 620 . 2 1 1 A 54 54 GLU C C 54 176.438 175.542 0.896 1
1 621 . 2 1 1 A 55 55 GLY N N 55 114.051 112.948 1.103 1
1 622 . 2 1 1 A 55 55 GLY H H 55 9.556 8.639 0.917 1
1 623 . 2 1 1 A 55 55 GLY CA C 55 45.816 45.447 0.369 1
1 624 . 2 1 1 A 55 55 GLY HA2 H 55 5.166 4.454 0.712 1
1 625 . 2 1 1 A 55 55 GLY HA3 H 55 3.929 4.558 -0.629 1
1 626 . 2 1 1 A 55 55 GLY C C 55 169.584 172.793 -3.209 1
1 627 . 2 1 1 A 56 56 ARG N N 56 116.523 118.336 -1.813 1
1 628 . 2 1 1 A 56 56 ARG H H 56 9.093 8.876 0.217 1
1 629 . 2 1 1 A 56 56 ARG CA C 56 53.977 54.291 -0.314 1
1 630 . 2 1 1 A 56 56 ARG HA H 56 5.528 5.183 0.345 1
1 631 . 2 1 1 A 56 56 ARG CB C 56 34.963 34.511 0.452 1
1 640 . 2 1 1 A 56 56 ARG C C 56 174.325 174.228 0.097 1
1 641 . 2 1 1 A 57 57 ILE N N 57 123.690 123.376 0.314 1
1 642 . 2 1 1 A 57 57 ILE H H 57 8.230 8.835 -0.605 1
1 643 . 2 1 1 A 57 57 ILE CA C 57 59.706 60.738 -1.032 1
1 644 . 2 1 1 A 57 57 ILE HA H 57 4.585 4.483 0.102 1
1 645 . 2 1 1 A 57 57 ILE CB C 57 35.623 37.681 -2.058 1
1 658 . 2 1 1 A 57 57 ILE C C 57 177.239 175.737 1.502 1
1 659 . 2 1 1 A 58 58 THR N N 58 112.797 123.620 -10.823 1
1 660 . 2 1 1 A 58 58 THR H H 58 8.805 8.588 0.217 1
1 661 . 2 1 1 A 58 58 THR CA C 58 65.598 63.721 1.877 1
1 662 . 2 1 1 A 58 58 THR HA H 58 3.857 4.121 -0.264 1
1 663 . 2 1 1 A 58 58 THR CB C 58 68.553 68.618 -0.065 1
1 669 . 2 1 1 A 59 59 GLY CA C 59 45.463 45.203 0.260 1
1 670 . 2 1 1 A 59 59 GLY HA2 H 59 3.834 4.021 -0.187 1
1 671 . 2 1 1 A 59 59 GLY HA3 H 59 4.266 4.024 0.242 1
1 672 . 2 1 1 A 59 59 GLY C C 59 174.543 173.938 0.605 1
1 673 . 2 1 1 A 60 60 THR N N 60 108.632 111.897 -3.265 1
1 674 . 2 1 1 A 60 60 THR H H 60 7.779 7.830 -0.051 1
1 675 . 2 1 1 A 60 60 THR CA C 60 61.017 59.980 1.037 1
1 676 . 2 1 1 A 60 60 THR HA H 60 4.892 4.767 0.125 1
1 677 . 2 1 1 A 60 60 THR CB C 60 72.426 71.779 0.647 1
1 683 . 2 1 1 A 60 60 THR C C 60 175.144 174.627 0.517 1
1 684 . 2 1 1 A 61 61 GLY CA C 61 45.320 46.356 -1.036 1
1 685 . 2 1 1 A 61 61 GLY HA2 H 61 3.930 3.846 0.084 1
1 686 . 2 1 1 A 61 61 GLY HA3 H 61 4.183 3.848 0.335 1
1 687 . 2 1 1 A 61 61 GLY C C 61 174.641 173.569 1.072 1
1 688 . 2 1 1 A 62 62 ARG N N 62 121.575 118.778 2.797 1
1 689 . 2 1 1 A 62 62 ARG H H 62 8.229 7.632 0.597 1
1 690 . 2 1 1 A 62 62 ARG CA C 62 56.440 54.898 1.542 1
1 691 . 2 1 1 A 62 62 ARG HA H 62 4.380 5.073 -0.693 1
1 692 . 2 1 1 A 62 62 ARG CB C 62 30.667 33.314 -2.647 1
1 701 . 2 1 1 A 62 62 ARG C C 62 174.530 175.024 -0.494 1
1 702 . 2 1 1 A 63 63 GLN N N 63 124.206 123.023 1.183 1
1 703 . 2 1 1 A 63 63 GLN H H 63 8.473 8.713 -0.240 1
1 704 . 2 1 1 A 63 63 GLN CA C 63 54.768 55.330 -0.562 1
1 705 . 2 1 1 A 63 63 GLN HA H 63 5.449 5.013 0.436 1
1 706 . 2 1 1 A 63 63 GLN CB C 63 32.243 32.409 -0.166 1
1 715 . 2 1 1 A 63 63 GLN C C 63 174.555 174.807 -0.252 1
1 716 . 2 1 1 A 64 64 GLY N N 64 111.132 110.926 0.206 1
1 717 . 2 1 1 A 64 64 GLY H H 64 8.962 8.155 0.807 1
1 718 . 2 1 1 A 64 64 GLY CA C 64 45.780 46.178 -0.398 1
1 719 . 2 1 1 A 64 64 GLY HA2 H 64 4.498 4.349 0.149 1
1 720 . 2 1 1 A 64 64 GLY HA3 H 64 4.351 4.379 -0.028 1
1 721 . 2 1 1 A 64 64 GLY C C 64 172.117 172.315 -0.198 1
1 722 . 2 1 1 A 65 65 ILE N N 65 114.051 118.601 -4.550 1
1 723 . 2 1 1 A 65 65 ILE H H 65 8.824 9.031 -0.207 1
1 724 . 2 1 1 A 65 65 ILE CA C 65 59.949 58.817 1.132 1
1 725 . 2 1 1 A 65 65 ILE HA H 65 6.195 5.504 0.691 1
1 726 . 2 1 1 A 65 65 ILE CB C 65 41.669 42.093 -0.424 1
1 739 . 2 1 1 A 65 65 ILE C C 65 176.874 175.117 1.757 1
1 740 . 2 1 1 A 66 66 PHE N N 66 116.902 118.514 -1.612 1
1 741 . 2 1 1 A 66 66 PHE H H 66 8.770 8.402 0.368 1
1 742 . 2 1 1 A 66 66 PHE CA C 66 56.114 55.424 0.690 1
1 743 . 2 1 1 A 66 66 PHE HA H 66 4.952 5.008 -0.056 1
1 744 . 2 1 1 A 66 66 PHE CB C 66 38.504 39.648 -1.144 1
1 757 . 2 1 1 A 66 66 PHE C C 66 170.992 171.498 -0.506 1
1 758 . 2 1 1 A 67 67 PRO CA C 67 61.161 62.407 -1.246 1
1 759 . 2 1 1 A 67 67 PRO HA H 67 3.678 3.746 -0.068 1
1 760 . 2 1 1 A 67 67 PRO CB C 67 30.788 31.594 -0.806 1
1 769 . 2 1 1 A 67 67 PRO C C 67 177.819 177.483 0.336 1
1 770 . 2 1 1 A 68 68 ALA N N 68 126.195 128.197 -2.002 1
1 771 . 2 1 1 A 68 68 ALA H H 68 8.458 8.185 0.273 1
1 772 . 2 1 1 A 68 68 ALA CA C 68 54.676 55.409 -0.733 1
1 773 . 2 1 1 A 68 68 ALA HA H 68 4.008 4.139 -0.131 1
1 774 . 2 1 1 A 68 68 ALA CB C 68 18.986 18.408 0.578 1
1 778 . 2 1 1 A 68 68 ALA C C 68 178.933 179.732 -0.799 1
1 779 . 2 1 1 A 69 69 SER N N 69 110.156 112.485 -2.329 1
1 780 . 2 1 1 A 69 69 SER H H 69 8.370 8.297 0.073 1
1 781 . 2 1 1 A 69 69 SER CA C 69 60.250 60.890 -0.640 1
1 782 . 2 1 1 A 69 69 SER HA H 69 4.265 4.183 0.082 1
1 783 . 2 1 1 A 69 69 SER CB C 69 62.718 63.013 -0.295 1
1 786 . 2 1 1 A 69 69 SER C C 69 175.748 176.108 -0.360 1
1 787 . 2 1 1 A 70 70 TYR N N 70 119.475 118.399 1.076 1
1 788 . 2 1 1 A 70 70 TYR H H 70 7.728 7.535 0.193 1
1 789 . 2 1 1 A 70 70 TYR CA C 70 60.061 59.991 0.070 1
1 790 . 2 1 1 A 70 70 TYR HA H 70 4.620 4.603 0.017 1
1 791 . 2 1 1 A 70 70 TYR CB C 70 39.039 39.859 -0.820 1
1 802 . 2 1 1 A 70 70 TYR C C 70 176.140 176.253 -0.113 1
1 803 . 2 1 1 A 71 71 VAL N N 71 110.320 115.831 -5.511 1
1 804 . 2 1 1 A 71 71 VAL H H 71 8.064 7.656 0.408 1
1 805 . 2 1 1 A 71 71 VAL CA C 71 58.737 60.044 -1.307 1
1 806 . 2 1 1 A 71 71 VAL HA H 71 5.073 4.538 0.535 1
1 807 . 2 1 1 A 71 71 VAL CB C 71 35.550 34.245 1.305 1
1 817 . 2 1 1 A 71 71 VAL C C 71 173.044 174.013 -0.969 1
1 818 . 2 1 1 A 72 72 GLN N N 72 119.621 121.361 -1.740 1
1 819 . 2 1 1 A 72 72 GLN H H 72 8.448 9.026 -0.578 1
1 820 . 2 1 1 A 72 72 GLN CA C 72 54.351 54.088 0.263 1
1 821 . 2 1 1 A 72 72 GLN HA H 72 4.724 4.973 -0.249 1
1 822 . 2 1 1 A 72 72 GLN CB C 72 30.373 32.032 -1.659 1
1 831 . 2 1 1 A 72 72 GLN C C 72 176.050 174.233 1.817 1
1 832 . 2 1 1 A 73 73 VAL N N 73 130.439 127.753 2.686 1
1 833 . 2 1 1 A 73 73 VAL H H 73 9.369 8.934 0.435 1
1 834 . 2 1 1 A 73 73 VAL CA C 73 63.957 62.795 1.162 1
1 835 . 2 1 1 A 73 73 VAL HA H 73 3.856 4.045 -0.189 1
1 836 . 2 1 1 A 73 73 VAL CB C 73 32.616 31.709 0.907 1
1 846 . 2 1 1 A 73 73 VAL C C 73 176.043 175.499 0.544 1
1 847 . 2 1 1 A 74 74 SER N N 74 123.766 122.105 1.661 1
1 848 . 2 1 1 A 74 74 SER H H 74 8.708 8.414 0.294 1
1 849 . 2 1 1 A 74 74 SER CA C 74 58.930 59.533 -0.603 1
1 850 . 2 1 1 A 74 74 SER HA H 74 4.627 4.687 -0.060 1
1 851 . 2 1 1 A 74 74 SER CB C 74 63.548 64.878 -1.330 1
1 854 . 2 1 1 A 74 74 SER C C 74 174.821 174.779 0.042 1
1 855 . 2 1 1 A 75 75 ARG N N 75 122.335 120.447 1.888 1
1 856 . 2 1 1 A 75 75 ARG H H 75 7.690 7.468 0.222 1
1 857 . 2 1 1 A 75 75 ARG CA C 75 56.185 54.956 1.229 1
1 858 . 2 1 1 A 75 75 ARG HA H 75 4.526 4.711 -0.185 1
1 859 . 2 1 1 A 75 75 ARG CB C 75 33.734 32.818 0.916 1
1 868 . 2 1 1 A 75 75 ARG C C 75 174.824 174.702 0.122 1
1 869 . 2 1 1 A 76 76 GLU N N 76 126.797 127.511 -0.714 1
1 870 . 2 1 1 A 76 76 GLU H H 76 8.916 8.428 0.488 1
1 871 . 2 1 1 A 76 76 GLU CA C 76 54.874 55.269 -0.395 1
1 872 . 2 1 1 A 76 76 GLU HA H 76 4.561 4.418 0.143 1
1 873 . 2 1 1 A 76 76 GLU CB C 76 28.925 28.872 0.053 1
1 879 . 2 1 1 A 76 76 GLU C C 76 175.557 174.895 0.662 1
1 880 . 2 1 1 A 77 77 PRO CA C 77 62.726 62.317 0.409 1
1 881 . 2 1 1 A 77 77 PRO HA H 77 4.584 4.580 0.004 1
1 882 . 2 1 1 A 77 77 PRO CB C 77 32.153 33.241 -1.088 1
1 891 . 2 1 1 A 78 78 ARG N N 78 120.959 121.377 -0.418 1
1 892 . 2 1 1 A 78 78 ARG H H 78 8.814 8.971 -0.157 1
1 893 . 2 1 1 A 78 78 ARG CA C 78 55.491 59.262 -3.771 1
1 894 . 2 1 1 A 78 78 ARG HA H 78 4.743 3.934 0.809 1
1 895 . 2 1 1 A 78 78 ARG CB C 78 33.443 30.021 3.422 1
1 904 . 2 1 1 A 79 79 LEU N N 79 125.756 120.128 5.628 1
1 905 . 2 1 1 A 79 79 LEU H H 79 8.789 7.985 0.804 1
1 906 . 2 1 1 A 79 79 LEU CA C 79 54.346 56.339 -1.993 1
1 907 . 2 1 1 A 79 79 LEU HA H 79 5.007 3.877 1.130 1
1 908 . 2 1 1 A 79 79 LEU CB C 79 44.609 40.638 3.971 1
1 917 . 2 1 1 A 80 80 ARG N N 80 121.792 110.840 10.952 1
1 918 . 2 1 1 A 80 80 ARG H H 80 8.908 8.427 0.481 1
1 919 . 2 1 1 A 80 80 ARG CA C 80 54.966 57.087 -2.121 1
1 920 . 2 1 1 A 80 80 ARG HA H 80 4.611 4.001 0.610 1
1 921 . 2 1 1 A 80 80 ARG CB C 80 32.686 27.597 5.089 1
1 924 . 2 1 1 A 81 81 LEU N N 81 126.556 115.606 10.950 1
1 925 . 2 1 1 A 81 81 LEU H H 81 8.702 8.531 0.171 1
1 926 . 2 1 1 A 81 81 LEU CA C 81 55.199 55.061 0.138 1
1 927 . 2 1 1 A 81 81 LEU HA H 81 4.472 4.669 -0.197 1
1 928 . 2 1 1 A 81 81 LEU CB C 81 42.368 43.779 -1.411 1
1 941 . 2 1 1 A 82 82 CYS N N 82 121.583 119.930 1.653 1
1 942 . 2 1 1 A 82 82 CYS H H 82 8.466 7.699 0.767 1
1 943 . 2 1 1 A 82 82 CYS CA C 82 58.583 58.034 0.549 1
1 944 . 2 1 1 A 82 82 CYS HA H 82 4.475 4.549 -0.074 1
1 945 . 2 1 1 A 82 82 CYS CB C 82 28.438 29.306 -0.868 1
1 948 . 2 1 1 A 83 83 ASP N N 83 122.639 126.342 -3.703 1
1 949 . 2 1 1 A 83 83 ASP H H 83 8.400 8.744 -0.344 1
1 950 . 2 1 1 A 83 83 ASP CA C 83 54.210 52.906 1.304 1
1 951 . 2 1 1 A 83 83 ASP HA H 83 4.654 4.881 -0.227 1
1 952 . 2 1 1 A 83 83 ASP CB C 83 41.291 40.406 0.885 1
1 955 . 2 1 1 A 83 83 ASP C C 83 175.900 174.657 1.243 1
1 956 . 2 1 1 A 84 84 ASP N N 84 121.113 125.448 -4.335 1
1 957 . 2 1 1 A 84 84 ASP H H 84 8.310 8.390 -0.080 1
1 958 . 2 1 1 A 84 84 ASP CA C 84 54.330 54.942 -0.612 1
1 959 . 2 1 1 A 84 84 ASP HA H 84 4.650 4.799 -0.149 1
1 960 . 2 1 1 A 84 84 ASP CB C 84 41.283 41.565 -0.282 1
1 963 . 2 1 1 A 84 84 ASP C C 84 176.407 175.985 0.422 1
1 964 . 2 1 1 A 85 85 SER N N 85 116.212 123.591 -7.379 1
1 965 . 2 1 1 A 85 85 SER H H 85 8.332 8.820 -0.488 1
1 966 . 2 1 1 A 85 85 SER CA C 85 58.819 57.905 0.914 1
1 967 . 2 1 1 A 85 85 SER HA H 85 4.438 4.850 -0.412 1
1 968 . 2 1 1 A 85 85 SER CB C 85 63.961 64.504 -0.543 1
1 971 . 2 1 1 A 85 85 SER C C 85 174.867 174.215 0.652 1
1 972 . 2 1 1 A 86 86 GLY N N 86 110.652 111.404 -0.752 1
1 973 . 2 1 1 A 86 86 GLY H H 86 8.251 8.262 -0.011 1
1 974 . 2 1 1 A 86 86 GLY CA C 86 44.758 45.993 -1.235 1
1 975 . 2 1 1 A 86 86 GLY HA2 H 86 4.109 4.045 0.064 1
1 976 . 2 1 1 A 86 86 GLY HA3 H 86 4.109 4.047 0.062 1
1 977 . 2 1 1 A 86 86 GLY C C 86 171.914 173.912 -1.998 1
1 978 . 2 1 1 A 87 87 PRO CA C 87 63.192 62.413 0.779 1
1 979 . 2 1 1 A 87 87 PRO HA H 87 4.484 4.746 -0.262 1
1 980 . 2 1 1 A 87 87 PRO CB C 87 32.243 29.661 2.582 1
1 989 . 2 1 1 A 87 87 PRO C C 87 177.470 175.044 2.426 1
1 990 . 2 1 1 A 88 88 SER N N 88 116.433 119.613 -3.180 1
1 991 . 2 1 1 A 88 88 SER H H 88 8.518 8.687 -0.169 1
1 992 . 2 1 1 A 88 88 SER CA C 88 58.330 57.244 1.086 1
1 993 . 2 1 1 A 88 88 SER HA H 88 4.571 4.836 -0.265 1
1 994 . 2 1 1 A 88 88 SER CB C 88 63.896 66.154 -2.258 1
1 997 . 2 1 1 A 88 88 SER C C 88 174.747 173.279 1.468 1
1 998 . 2 1 1 A 89 89 SER N N 89 117.882 122.096 -4.214 1
1 999 . 2 1 1 A 89 89 SER H H 89 8.335 8.634 -0.299 1
1 1000 . 2 1 1 A 89 89 SER CA C 89 58.497 59.463 -0.966 1
1 1001 . 2 1 1 A 89 89 SER CB C 89 64.209 61.413 2.796 1
1 1004 . 2 1 1 A 89 89 SER C C 89 174.100 173.626 0.474 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.146 45.561 -0.415 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.966 4.225 -0.259 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.966 4.226 -0.260 1
1 4 . 3 1 1 A 7 7 GLY C C 7 173.687 172.287 1.400 1
1 5 . 3 1 1 A 8 8 LYS N N 8 122.140 123.303 -1.163 1
1 6 . 3 1 1 A 8 8 LYS H H 8 8.107 8.403 -0.296 1
1 7 . 3 1 1 A 8 8 LYS CA C 8 54.053 53.037 1.016 1
1 8 . 3 1 1 A 8 8 LYS HA H 8 4.620 4.736 -0.116 1
1 9 . 3 1 1 A 8 8 LYS CB C 8 32.649 33.977 -1.328 1
1 21 . 3 1 1 A 8 8 LYS C C 8 174.270 173.903 0.367 1
1 22 . 3 1 1 A 9 9 PRO CA C 9 61.632 61.706 -0.074 1
1 23 . 3 1 1 A 9 9 PRO HA H 9 4.687 4.661 0.026 1
1 24 . 3 1 1 A 9 9 PRO CB C 9 30.855 32.479 -1.624 1
1 33 . 3 1 1 A 10 10 PRO CA C 10 62.942 64.653 -1.711 1
1 34 . 3 1 1 A 10 10 PRO HA H 10 4.473 4.379 0.094 1
1 35 . 3 1 1 A 10 10 PRO CB C 10 32.197 31.773 0.424 1
1 44 . 3 1 1 A 11 11 THR N N 11 128.434 111.765 16.669 1
1 45 . 3 1 1 A 11 11 THR H H 11 8.172 7.688 0.484 1
1 46 . 3 1 1 A 11 11 THR CA C 11 61.644 61.308 0.336 1
1 47 . 3 1 1 A 11 11 THR HA H 11 4.357 4.615 -0.258 1
1 48 . 3 1 1 A 11 11 THR CB C 11 70.204 69.354 0.850 1
1 54 . 3 1 1 A 12 12 TYR N N 12 120.312 128.768 -8.456 1
1 55 . 3 1 1 A 12 12 TYR H H 12 8.033 8.919 -0.886 1
1 56 . 3 1 1 A 12 12 TYR CA C 12 56.633 57.857 -1.224 1
1 57 . 3 1 1 A 12 12 TYR HA H 12 4.967 4.455 0.512 1
1 58 . 3 1 1 A 12 12 TYR CB C 12 40.403 37.987 2.416 1
1 69 . 3 1 1 A 13 13 GLN H H 13 8.634 8.125 0.509 1
1 70 . 3 1 1 A 13 13 GLN CA C 13 54.519 56.404 -1.885 1
1 71 . 3 1 1 A 13 13 GLN HA H 13 4.626 4.111 0.515 1
1 72 . 3 1 1 A 13 13 GLN CB C 13 31.183 29.141 2.042 1
1 81 . 3 1 1 A 14 14 VAL N N 14 124.270 127.179 -2.909 1
1 82 . 3 1 1 A 14 14 VAL H H 14 8.773 8.130 0.643 1
1 83 . 3 1 1 A 14 14 VAL CA C 14 62.977 63.007 -0.030 1
1 84 . 3 1 1 A 14 14 VAL HA H 14 4.018 4.046 -0.028 1
1 85 . 3 1 1 A 14 14 VAL CB C 14 32.909 31.714 1.195 1
1 95 . 3 1 1 A 15 15 LEU N N 15 128.403 125.075 3.328 1
1 96 . 3 1 1 A 15 15 LEU H H 15 8.726 8.463 0.263 1
1 97 . 3 1 1 A 15 15 LEU CA C 15 55.620 53.892 1.728 1
1 98 . 3 1 1 A 15 15 LEU HA H 15 4.412 4.943 -0.531 1
1 99 . 3 1 1 A 15 15 LEU CB C 15 42.580 45.120 -2.540 1
1 112 . 3 1 1 A 16 16 GLU H H 16 8.687 8.845 -0.158 1
1 113 . 3 1 1 A 16 16 GLU CA C 16 55.492 57.905 -2.413 1
1 114 . 3 1 1 A 16 16 GLU HA H 16 4.401 4.448 -0.047 1
1 115 . 3 1 1 A 16 16 GLU CB C 16 32.409 32.257 0.152 1
1 120 . 3 1 1 A 17 17 TYR N N 17 124.726 119.086 5.640 1
1 121 . 3 1 1 A 17 17 TYR H H 17 8.505 7.923 0.582 1
1 122 . 3 1 1 A 17 17 TYR CA C 17 58.490 58.221 0.269 1
1 123 . 3 1 1 A 17 17 TYR HA H 17 4.598 4.562 0.036 1
1 124 . 3 1 1 A 17 17 TYR CB C 17 38.814 38.833 -0.019 1
1 135 . 3 1 1 A 18 18 GLY N N 18 106.652 111.715 -5.063 1
1 136 . 3 1 1 A 18 18 GLY H H 18 9.176 8.605 0.571 1
1 137 . 3 1 1 A 18 18 GLY CA C 18 43.947 44.500 -0.553 1
1 138 . 3 1 1 A 18 18 GLY HA2 H 18 3.646 4.065 -0.419 1
1 139 . 3 1 1 A 18 18 GLY HA3 H 18 4.287 4.084 0.203 1
1 140 . 3 1 1 A 19 19 GLU N N 19 122.571 120.176 2.395 1
1 141 . 3 1 1 A 19 19 GLU H H 19 9.450 8.406 1.044 1
1 142 . 3 1 1 A 19 19 GLU CA C 19 56.496 55.323 1.173 1
1 143 . 3 1 1 A 19 19 GLU HA H 19 5.218 5.022 0.196 1
1 144 . 3 1 1 A 19 19 GLU CB C 19 34.419 32.785 1.634 1
1 149 . 3 1 1 A 19 19 GLU C C 19 173.496 174.851 -1.355 1
1 150 . 3 1 1 A 20 20 ALA N N 20 125.442 128.551 -3.109 1
1 151 . 3 1 1 A 20 20 ALA H H 20 8.813 8.340 0.473 1
1 152 . 3 1 1 A 20 20 ALA CA C 20 50.154 50.197 -0.043 1
1 153 . 3 1 1 A 20 20 ALA HA H 20 5.132 5.600 -0.468 1
1 154 . 3 1 1 A 20 20 ALA CB C 20 24.742 23.121 1.621 1
1 158 . 3 1 1 A 20 20 ALA C C 20 174.555 175.544 -0.989 1
1 159 . 3 1 1 A 21 21 VAL N N 21 117.729 120.107 -2.378 1
1 160 . 3 1 1 A 21 21 VAL H H 21 8.118 8.847 -0.729 1
1 161 . 3 1 1 A 21 21 VAL CA C 21 60.211 60.659 -0.448 1
1 162 . 3 1 1 A 21 21 VAL HA H 21 4.478 4.253 0.225 1
1 163 . 3 1 1 A 21 21 VAL CB C 21 34.751 34.151 0.600 1
1 173 . 3 1 1 A 21 21 VAL C C 21 176.351 175.247 1.104 1
1 174 . 3 1 1 A 22 22 ALA N N 22 130.024 130.367 -0.343 1
1 175 . 3 1 1 A 22 22 ALA H H 22 8.689 8.200 0.489 1
1 176 . 3 1 1 A 22 22 ALA CA C 22 53.496 52.804 0.692 1
1 177 . 3 1 1 A 22 22 ALA HA H 22 4.170 4.092 0.078 1
1 178 . 3 1 1 A 22 22 ALA CB C 22 20.793 18.906 1.887 1
1 182 . 3 1 1 A 22 22 ALA C C 22 178.156 176.629 1.527 1
1 183 . 3 1 1 A 23 23 GLN N N 23 126.904 123.017 3.887 1
1 184 . 3 1 1 A 23 23 GLN H H 23 9.442 8.532 0.910 1
1 185 . 3 1 1 A 23 23 GLN CA C 23 55.611 57.308 -1.697 1
1 186 . 3 1 1 A 23 23 GLN HA H 23 4.202 4.298 -0.096 1
1 187 . 3 1 1 A 23 23 GLN CB C 23 30.345 30.094 0.251 1
1 196 . 3 1 1 A 23 23 GLN C C 23 173.200 175.621 -2.421 1
1 197 . 3 1 1 A 24 24 TYR N N 24 115.157 115.860 -0.703 1
1 198 . 3 1 1 A 24 24 TYR H H 24 7.696 7.662 0.034 1
1 199 . 3 1 1 A 24 24 TYR CA C 24 55.303 56.611 -1.308 1
1 200 . 3 1 1 A 24 24 TYR HA H 24 4.847 5.199 -0.352 1
1 201 . 3 1 1 A 24 24 TYR CB C 24 43.087 41.377 1.710 1
1 212 . 3 1 1 A 24 24 TYR C C 24 173.829 175.996 -2.167 1
1 213 . 3 1 1 A 25 25 THR N N 25 118.997 119.562 -0.565 1
1 214 . 3 1 1 A 25 25 THR H H 25 8.697 9.038 -0.341 1
1 215 . 3 1 1 A 25 25 THR CA C 25 63.201 63.550 -0.349 1
1 216 . 3 1 1 A 25 25 THR HA H 25 4.483 4.585 -0.102 1
1 217 . 3 1 1 A 25 25 THR CB C 25 70.228 68.683 1.545 1
1 223 . 3 1 1 A 25 25 THR C C 25 173.214 173.934 -0.720 1
1 224 . 3 1 1 A 26 26 PHE N N 26 129.691 127.051 2.640 1
1 225 . 3 1 1 A 26 26 PHE H H 26 8.460 8.132 0.328 1
1 226 . 3 1 1 A 26 26 PHE CA C 26 55.887 56.670 -0.783 1
1 227 . 3 1 1 A 26 26 PHE HA H 26 4.631 5.170 -0.539 1
1 228 . 3 1 1 A 26 26 PHE CB C 26 42.134 41.345 0.789 1
1 241 . 3 1 1 A 26 26 PHE C C 26 173.089 174.004 -0.915 1
1 242 . 3 1 1 A 27 27 LYS N N 27 129.755 125.055 4.700 1
1 243 . 3 1 1 A 27 27 LYS H H 27 7.879 7.175 0.704 1
1 244 . 3 1 1 A 27 27 LYS CA C 27 54.562 54.648 -0.086 1
1 245 . 3 1 1 A 27 27 LYS HA H 27 4.023 4.788 -0.765 1
1 246 . 3 1 1 A 27 27 LYS CB C 27 32.490 35.638 -3.148 1
1 258 . 3 1 1 A 27 27 LYS C C 27 174.852 174.885 -0.033 1
1 259 . 3 1 1 A 28 28 GLY N N 28 113.171 112.574 0.597 1
1 260 . 3 1 1 A 28 28 GLY H H 28 7.726 8.342 -0.616 1
1 261 . 3 1 1 A 28 28 GLY CA C 28 45.922 45.202 0.720 1
1 262 . 3 1 1 A 28 28 GLY HA2 H 28 3.151 4.355 -1.204 1
1 263 . 3 1 1 A 28 28 GLY HA3 H 28 3.619 4.504 -0.885 1
1 264 . 3 1 1 A 28 28 GLY C C 28 173.250 173.825 -0.575 1
1 265 . 3 1 1 A 29 29 ASP N N 29 121.578 118.760 2.818 1
1 266 . 3 1 1 A 29 29 ASP H H 29 8.743 8.674 0.069 1
1 267 . 3 1 1 A 29 29 ASP CA C 29 55.162 54.898 0.264 1
1 268 . 3 1 1 A 29 29 ASP HA H 29 4.616 4.889 -0.273 1
1 269 . 3 1 1 A 29 29 ASP CB C 29 42.815 43.005 -0.190 1
1 272 . 3 1 1 A 29 29 ASP C C 29 176.583 176.363 0.220 1
1 273 . 3 1 1 A 30 30 LEU N N 30 119.139 119.421 -0.282 1
1 274 . 3 1 1 A 30 30 LEU H H 30 8.069 7.590 0.479 1
1 275 . 3 1 1 A 30 30 LEU CA C 30 54.174 54.359 -0.185 1
1 276 . 3 1 1 A 30 30 LEU HA H 30 4.585 4.347 0.238 1
1 277 . 3 1 1 A 30 30 LEU CB C 30 44.109 42.033 2.076 1
1 290 . 3 1 1 A 30 30 LEU C C 30 179.241 178.099 1.142 1
1 291 . 3 1 1 A 31 31 GLU N N 31 122.182 123.114 -0.932 1
1 292 . 3 1 1 A 31 31 GLU H H 31 8.905 9.016 -0.111 1
1 293 . 3 1 1 A 31 31 GLU CA C 31 59.392 59.421 -0.029 1
1 294 . 3 1 1 A 31 31 GLU HA H 31 4.151 3.907 0.244 1
1 295 . 3 1 1 A 31 31 GLU CB C 31 29.605 29.915 -0.310 1
1 301 . 3 1 1 A 31 31 GLU C C 31 177.520 178.257 -0.737 1
1 302 . 3 1 1 A 32 32 VAL N N 32 108.281 118.780 -10.499 1
1 303 . 3 1 1 A 32 32 VAL H H 32 7.186 8.107 -0.921 1
1 304 . 3 1 1 A 32 32 VAL CA C 32 61.950 65.577 -3.627 1
1 305 . 3 1 1 A 32 32 VAL HA H 32 4.365 3.910 0.455 1
1 306 . 3 1 1 A 32 32 VAL CB C 32 32.222 31.319 0.903 1
1 316 . 3 1 1 A 32 32 VAL C C 32 176.602 176.567 0.035 1
1 317 . 3 1 1 A 33 33 GLU N N 33 120.835 120.264 0.571 1
1 318 . 3 1 1 A 33 33 GLU H H 33 7.751 7.850 -0.099 1
1 319 . 3 1 1 A 33 33 GLU CA C 33 55.560 56.140 -0.580 1
1 320 . 3 1 1 A 33 33 GLU HA H 33 5.106 4.588 0.518 1
1 321 . 3 1 1 A 33 33 GLU CB C 33 31.354 29.297 2.057 1
1 327 . 3 1 1 A 33 33 GLU C C 33 176.180 175.608 0.572 1
1 328 . 3 1 1 A 34 34 LEU N N 34 126.568 127.967 -1.399 1
1 329 . 3 1 1 A 34 34 LEU H H 34 9.073 8.933 0.140 1
1 330 . 3 1 1 A 34 34 LEU CA C 34 53.385 53.979 -0.594 1
1 331 . 3 1 1 A 34 34 LEU HA H 34 4.481 5.104 -0.623 1
1 332 . 3 1 1 A 34 34 LEU CB C 34 44.305 44.354 -0.049 1
1 345 . 3 1 1 A 34 34 LEU C C 34 173.373 176.515 -3.142 1
1 346 . 3 1 1 A 35 35 SER N N 35 116.987 120.289 -3.302 1
1 347 . 3 1 1 A 35 35 SER H H 35 7.561 8.836 -1.275 1
1 348 . 3 1 1 A 35 35 SER CA C 35 58.335 56.613 1.722 1
1 349 . 3 1 1 A 35 35 SER HA H 35 4.569 4.961 -0.392 1
1 350 . 3 1 1 A 35 35 SER CB C 35 64.536 65.605 -1.069 1
1 353 . 3 1 1 A 35 35 SER C C 35 174.513 173.857 0.656 1
1 354 . 3 1 1 A 36 36 PHE N N 36 117.028 117.104 -0.076 1
1 355 . 3 1 1 A 36 36 PHE H H 36 8.339 8.343 -0.004 1
1 356 . 3 1 1 A 36 36 PHE CA C 36 55.938 55.854 0.084 1
1 357 . 3 1 1 A 36 36 PHE HA H 36 4.647 5.210 -0.563 1
1 358 . 3 1 1 A 36 36 PHE CB C 36 39.959 40.917 -0.958 1
1 371 . 3 1 1 A 36 36 PHE C C 36 174.055 172.195 1.860 1
1 372 . 3 1 1 A 37 37 ARG N N 37 120.296 119.856 0.440 1
1 373 . 3 1 1 A 37 37 ARG H H 37 9.859 8.664 1.195 1
1 374 . 3 1 1 A 37 37 ARG CA C 37 53.915 54.875 -0.960 1
1 375 . 3 1 1 A 37 37 ARG HA H 37 4.929 4.810 0.119 1
1 376 . 3 1 1 A 37 37 ARG CB C 37 32.735 32.045 0.690 1
1 385 . 3 1 1 A 37 37 ARG C C 37 175.793 176.047 -0.254 1
1 386 . 3 1 1 A 38 38 LYS N N 38 121.649 125.172 -3.523 1
1 387 . 3 1 1 A 38 38 LYS H H 38 7.938 8.221 -0.283 1
1 388 . 3 1 1 A 38 38 LYS CA C 38 58.880 58.383 0.497 1
1 389 . 3 1 1 A 38 38 LYS HA H 38 3.291 4.190 -0.899 1
1 390 . 3 1 1 A 38 38 LYS CB C 38 32.755 32.035 0.720 1
1 402 . 3 1 1 A 38 38 LYS C C 38 176.459 177.291 -0.832 1
1 403 . 3 1 1 A 39 39 GLY N N 39 114.431 114.804 -0.373 1
1 404 . 3 1 1 A 39 39 GLY H H 39 8.618 9.023 -0.405 1
1 405 . 3 1 1 A 39 39 GLY CA C 39 44.652 45.047 -0.395 1
1 406 . 3 1 1 A 39 39 GLY HA2 H 39 3.438 4.007 -0.569 1
1 407 . 3 1 1 A 39 39 GLY HA3 H 39 4.399 4.024 0.375 1
1 408 . 3 1 1 A 39 39 GLY C C 39 174.586 174.406 0.180 1
1 409 . 3 1 1 A 40 40 GLU N N 40 119.554 121.366 -1.812 1
1 410 . 3 1 1 A 40 40 GLU H H 40 7.931 8.352 -0.421 1
1 411 . 3 1 1 A 40 40 GLU CA C 40 59.197 57.210 1.987 1
1 412 . 3 1 1 A 40 40 GLU HA H 40 4.272 4.361 -0.089 1
1 413 . 3 1 1 A 40 40 GLU CB C 40 30.759 30.746 0.013 1
1 419 . 3 1 1 A 40 40 GLU C C 40 175.278 175.717 -0.439 1
1 420 . 3 1 1 A 41 41 HIS N N 41 121.677 120.399 1.278 1
1 421 . 3 1 1 A 41 41 HIS H H 41 8.837 9.080 -0.243 1
1 422 . 3 1 1 A 41 41 HIS CA C 41 56.432 54.743 1.689 1
1 423 . 3 1 1 A 41 41 HIS HA H 41 4.817 4.918 -0.101 1
1 424 . 3 1 1 A 41 41 HIS CB C 41 30.260 29.506 0.754 1
1 431 . 3 1 1 A 41 41 HIS C C 41 174.622 174.367 0.255 1
1 432 . 3 1 1 A 42 42 ILE N N 42 123.889 124.150 -0.261 1
1 433 . 3 1 1 A 42 42 ILE H H 42 8.753 8.020 0.733 1
1 434 . 3 1 1 A 42 42 ILE CA C 42 60.433 61.006 -0.573 1
1 435 . 3 1 1 A 42 42 ILE HA H 42 4.079 4.121 -0.042 1
1 436 . 3 1 1 A 42 42 ILE CB C 42 42.258 38.093 4.165 1
1 449 . 3 1 1 A 42 42 ILE C C 42 174.377 175.176 -0.799 1
1 450 . 3 1 1 A 43 43 CYS N N 43 127.431 127.333 0.098 1
1 451 . 3 1 1 A 43 43 CYS H H 43 8.877 8.791 0.086 1
1 452 . 3 1 1 A 43 43 CYS CA C 43 57.909 58.697 -0.788 1
1 453 . 3 1 1 A 43 43 CYS HA H 43 4.654 4.929 -0.275 1
1 454 . 3 1 1 A 43 43 CYS CB C 43 26.650 28.790 -2.140 1
1 457 . 3 1 1 A 43 43 CYS C C 43 174.875 173.855 1.020 1
1 458 . 3 1 1 A 44 44 LEU N N 44 126.732 126.729 0.003 1
1 459 . 3 1 1 A 44 44 LEU H H 44 7.724 8.965 -1.241 1
1 460 . 3 1 1 A 44 44 LEU CA C 44 53.741 54.342 -0.601 1
1 461 . 3 1 1 A 44 44 LEU HA H 44 4.546 4.494 0.052 1
1 462 . 3 1 1 A 44 44 LEU CB C 44 43.286 40.929 2.357 1
1 475 . 3 1 1 A 44 44 LEU C C 44 175.004 176.229 -1.225 1
1 476 . 3 1 1 A 45 45 ILE N N 45 125.519 126.931 -1.412 1
1 477 . 3 1 1 A 45 45 ILE H H 45 9.058 8.615 0.443 1
1 478 . 3 1 1 A 45 45 ILE CA C 45 63.488 63.581 -0.093 1
1 479 . 3 1 1 A 45 45 ILE HA H 45 4.121 4.358 -0.237 1
1 480 . 3 1 1 A 45 45 ILE CB C 45 39.808 38.409 1.399 1
1 493 . 3 1 1 A 46 46 ARG N N 46 105.448 116.494 -11.046 1
1 494 . 3 1 1 A 46 46 ARG H H 46 7.377 7.752 -0.375 1
1 495 . 3 1 1 A 46 46 ARG CA C 46 54.848 54.677 0.171 1
1 496 . 3 1 1 A 46 46 ARG HA H 46 4.576 4.900 -0.324 1
1 497 . 3 1 1 A 46 46 ARG CB C 46 32.078 33.241 -1.163 1
1 508 . 3 1 1 A 46 46 ARG C C 46 174.353 174.873 -0.520 1
1 509 . 3 1 1 A 47 47 LYS N N 47 124.397 125.190 -0.793 1
1 510 . 3 1 1 A 47 47 LYS H H 47 9.254 8.614 0.640 1
1 511 . 3 1 1 A 47 47 LYS CA C 47 56.832 56.596 0.236 1
1 512 . 3 1 1 A 47 47 LYS HA H 47 4.353 4.433 -0.080 1
1 513 . 3 1 1 A 47 47 LYS CB C 47 32.868 32.781 0.087 1
1 525 . 3 1 1 A 47 47 LYS C C 47 176.540 176.566 -0.026 1
1 526 . 3 1 1 A 48 48 VAL N N 48 126.203 127.618 -1.415 1
1 527 . 3 1 1 A 48 48 VAL H H 48 8.289 8.586 -0.297 1
1 528 . 3 1 1 A 48 48 VAL CA C 48 63.966 64.503 -0.537 1
1 529 . 3 1 1 A 48 48 VAL HA H 48 3.784 3.870 -0.086 1
1 530 . 3 1 1 A 48 48 VAL CB C 48 33.030 32.659 0.371 1
1 540 . 3 1 1 A 48 48 VAL C C 48 175.547 175.350 0.197 1
1 541 . 3 1 1 A 49 49 ASN N N 49 115.717 116.552 -0.835 1
1 542 . 3 1 1 A 49 49 ASN H H 49 8.167 7.151 1.016 1
1 543 . 3 1 1 A 49 49 ASN CA C 49 52.768 52.181 0.587 1
1 544 . 3 1 1 A 49 49 ASN HA H 49 4.428 4.960 -0.532 1
1 545 . 3 1 1 A 49 49 ASN CB C 49 37.683 42.098 -4.415 1
1 551 . 3 1 1 A 49 49 ASN C C 49 174.537 174.975 -0.438 1
1 552 . 3 1 1 A 50 50 GLU N N 50 114.361 120.440 -6.079 1
1 553 . 3 1 1 A 50 50 GLU H H 50 8.781 9.066 -0.285 1
1 554 . 3 1 1 A 50 50 GLU CA C 50 59.835 58.059 1.776 1
1 555 . 3 1 1 A 50 50 GLU HA H 50 3.947 4.019 -0.072 1
1 556 . 3 1 1 A 50 50 GLU CB C 50 29.534 28.529 1.005 1
1 562 . 3 1 1 A 50 50 GLU C C 50 176.796 175.696 1.100 1
1 563 . 3 1 1 A 51 51 ASN N N 51 112.673 116.305 -3.632 1
1 564 . 3 1 1 A 51 51 ASN H H 51 8.535 7.797 0.738 1
1 565 . 3 1 1 A 51 51 ASN CA C 51 53.328 54.112 -0.784 1
1 566 . 3 1 1 A 51 51 ASN HA H 51 4.968 4.800 0.168 1
1 567 . 3 1 1 A 51 51 ASN CB C 51 41.171 41.369 -0.198 1
1 573 . 3 1 1 A 51 51 ASN C C 51 174.756 174.866 -0.110 1
1 574 . 3 1 1 A 52 52 TRP N N 52 121.399 117.738 3.661 1
1 575 . 3 1 1 A 52 52 TRP H H 52 7.726 7.678 0.048 1
1 576 . 3 1 1 A 52 52 TRP CA C 52 57.485 55.816 1.669 1
1 577 . 3 1 1 A 52 52 TRP HA H 52 5.072 5.045 0.027 1
1 578 . 3 1 1 A 52 52 TRP CB C 52 31.703 32.070 -0.367 1
1 593 . 3 1 1 A 52 52 TRP C C 52 174.756 174.976 -0.220 1
1 594 . 3 1 1 A 53 53 TYR N N 53 118.564 119.287 -0.723 1
1 595 . 3 1 1 A 53 53 TYR H H 53 8.443 8.835 -0.392 1
1 596 . 3 1 1 A 53 53 TYR CA C 53 57.305 55.850 1.455 1
1 597 . 3 1 1 A 53 53 TYR HA H 53 4.978 4.976 0.002 1
1 598 . 3 1 1 A 53 53 TYR CB C 53 44.030 42.167 1.863 1
1 609 . 3 1 1 A 53 53 TYR C C 53 174.045 173.921 0.124 1
1 610 . 3 1 1 A 54 54 GLU N N 54 117.557 124.199 -6.642 1
1 611 . 3 1 1 A 54 54 GLU H H 54 8.906 8.417 0.489 1
1 612 . 3 1 1 A 54 54 GLU CA C 54 54.986 55.817 -0.831 1
1 613 . 3 1 1 A 54 54 GLU HA H 54 5.059 4.598 0.461 1
1 614 . 3 1 1 A 54 54 GLU CB C 54 32.458 30.721 1.737 1
1 620 . 3 1 1 A 54 54 GLU C C 54 176.438 175.893 0.545 1
1 621 . 3 1 1 A 55 55 GLY N N 55 114.051 113.356 0.695 1
1 622 . 3 1 1 A 55 55 GLY H H 55 9.556 8.715 0.841 1
1 623 . 3 1 1 A 55 55 GLY CA C 55 45.816 44.531 1.285 1
1 624 . 3 1 1 A 55 55 GLY HA2 H 55 5.166 4.539 0.627 1
1 625 . 3 1 1 A 55 55 GLY HA3 H 55 3.929 4.743 -0.814 1
1 626 . 3 1 1 A 55 55 GLY C C 55 169.584 173.056 -3.472 1
1 627 . 3 1 1 A 56 56 ARG N N 56 116.523 117.752 -1.229 1
1 628 . 3 1 1 A 56 56 ARG H H 56 9.093 8.557 0.536 1
1 629 . 3 1 1 A 56 56 ARG CA C 56 53.977 54.679 -0.702 1
1 630 . 3 1 1 A 56 56 ARG HA H 56 5.528 5.197 0.331 1
1 631 . 3 1 1 A 56 56 ARG CB C 56 34.963 33.321 1.642 1
1 640 . 3 1 1 A 56 56 ARG C C 56 174.325 175.139 -0.814 1
1 641 . 3 1 1 A 57 57 ILE N N 57 123.690 124.910 -1.220 1
1 642 . 3 1 1 A 57 57 ILE H H 57 8.230 8.871 -0.641 1
1 643 . 3 1 1 A 57 57 ILE CA C 57 59.706 61.059 -1.353 1
1 644 . 3 1 1 A 57 57 ILE HA H 57 4.585 4.371 0.214 1
1 645 . 3 1 1 A 57 57 ILE CB C 57 35.623 36.591 -0.968 1
1 658 . 3 1 1 A 57 57 ILE C C 57 177.239 175.531 1.708 1
1 659 . 3 1 1 A 58 58 THR N N 58 112.797 122.078 -9.281 1
1 660 . 3 1 1 A 58 58 THR H H 58 8.805 8.091 0.714 1
1 661 . 3 1 1 A 58 58 THR CA C 58 65.598 63.727 1.871 1
1 662 . 3 1 1 A 58 58 THR HA H 58 3.857 4.062 -0.205 1
1 663 . 3 1 1 A 58 58 THR CB C 58 68.553 68.879 -0.326 1
1 669 . 3 1 1 A 59 59 GLY CA C 59 45.463 45.622 -0.159 1
1 670 . 3 1 1 A 59 59 GLY HA2 H 59 3.834 3.995 -0.161 1
1 671 . 3 1 1 A 59 59 GLY HA3 H 59 4.266 3.998 0.268 1
1 672 . 3 1 1 A 59 59 GLY C C 59 174.543 174.474 0.069 1
1 673 . 3 1 1 A 60 60 THR N N 60 108.632 111.986 -3.354 1
1 674 . 3 1 1 A 60 60 THR H H 60 7.779 7.819 -0.040 1
1 675 . 3 1 1 A 60 60 THR CA C 60 61.017 62.303 -1.286 1
1 676 . 3 1 1 A 60 60 THR HA H 60 4.892 4.514 0.378 1
1 677 . 3 1 1 A 60 60 THR CB C 60 72.426 70.915 1.511 1
1 683 . 3 1 1 A 60 60 THR C C 60 175.144 175.670 -0.526 1
1 684 . 3 1 1 A 61 61 GLY CA C 61 45.320 45.209 0.111 1
1 685 . 3 1 1 A 61 61 GLY HA2 H 61 3.930 4.059 -0.129 1
1 686 . 3 1 1 A 61 61 GLY HA3 H 61 4.183 4.060 0.123 1
1 687 . 3 1 1 A 61 61 GLY C C 61 174.641 174.752 -0.111 1
1 688 . 3 1 1 A 62 62 ARG N N 62 121.575 120.731 0.844 1
1 689 . 3 1 1 A 62 62 ARG H H 62 8.229 7.984 0.245 1
1 690 . 3 1 1 A 62 62 ARG CA C 62 56.440 56.415 0.025 1
1 691 . 3 1 1 A 62 62 ARG HA H 62 4.380 4.377 0.003 1
1 692 . 3 1 1 A 62 62 ARG CB C 62 30.667 30.707 -0.040 1
1 701 . 3 1 1 A 62 62 ARG C C 62 174.530 175.337 -0.807 1
1 702 . 3 1 1 A 63 63 GLN N N 63 124.206 123.231 0.975 1
1 703 . 3 1 1 A 63 63 GLN H H 63 8.473 8.702 -0.229 1
1 704 . 3 1 1 A 63 63 GLN CA C 63 54.768 54.853 -0.085 1
1 705 . 3 1 1 A 63 63 GLN HA H 63 5.449 5.387 0.062 1
1 706 . 3 1 1 A 63 63 GLN CB C 63 32.243 32.954 -0.711 1
1 715 . 3 1 1 A 63 63 GLN C C 63 174.555 174.721 -0.166 1
1 716 . 3 1 1 A 64 64 GLY N N 64 111.132 110.033 1.099 1
1 717 . 3 1 1 A 64 64 GLY H H 64 8.962 8.325 0.637 1
1 718 . 3 1 1 A 64 64 GLY CA C 64 45.780 45.841 -0.061 1
1 719 . 3 1 1 A 64 64 GLY HA2 H 64 4.498 4.250 0.248 1
1 720 . 3 1 1 A 64 64 GLY HA3 H 64 4.351 4.293 0.058 1
1 721 . 3 1 1 A 64 64 GLY C C 64 172.117 172.137 -0.020 1
1 722 . 3 1 1 A 65 65 ILE N N 65 114.051 116.939 -2.888 1
1 723 . 3 1 1 A 65 65 ILE H H 65 8.824 8.410 0.414 1
1 724 . 3 1 1 A 65 65 ILE CA C 65 59.949 59.135 0.814 1
1 725 . 3 1 1 A 65 65 ILE HA H 65 6.195 5.224 0.971 1
1 726 . 3 1 1 A 65 65 ILE CB C 65 41.669 40.376 1.293 1
1 739 . 3 1 1 A 65 65 ILE C C 65 176.874 175.308 1.566 1
1 740 . 3 1 1 A 66 66 PHE N N 66 116.902 118.560 -1.658 1
1 741 . 3 1 1 A 66 66 PHE H H 66 8.770 8.601 0.169 1
1 742 . 3 1 1 A 66 66 PHE CA C 66 56.114 55.428 0.686 1
1 743 . 3 1 1 A 66 66 PHE HA H 66 4.952 5.168 -0.216 1
1 744 . 3 1 1 A 66 66 PHE CB C 66 38.504 39.629 -1.125 1
1 757 . 3 1 1 A 66 66 PHE C C 66 170.992 171.786 -0.794 1
1 758 . 3 1 1 A 67 67 PRO CA C 67 61.161 62.666 -1.505 1
1 759 . 3 1 1 A 67 67 PRO HA H 67 3.678 3.935 -0.257 1
1 760 . 3 1 1 A 67 67 PRO CB C 67 30.788 31.773 -0.985 1
1 769 . 3 1 1 A 67 67 PRO C C 67 177.819 177.481 0.338 1
1 770 . 3 1 1 A 68 68 ALA N N 68 126.195 128.020 -1.825 1
1 771 . 3 1 1 A 68 68 ALA H H 68 8.458 8.463 -0.005 1
1 772 . 3 1 1 A 68 68 ALA CA C 68 54.676 55.475 -0.799 1
1 773 . 3 1 1 A 68 68 ALA HA H 68 4.008 4.228 -0.220 1
1 774 . 3 1 1 A 68 68 ALA CB C 68 18.986 18.506 0.480 1
1 778 . 3 1 1 A 68 68 ALA C C 68 178.933 179.876 -0.943 1
1 779 . 3 1 1 A 69 69 SER N N 69 110.156 112.685 -2.529 1
1 780 . 3 1 1 A 69 69 SER H H 69 8.370 8.374 -0.004 1
1 781 . 3 1 1 A 69 69 SER CA C 69 60.250 61.094 -0.844 1
1 782 . 3 1 1 A 69 69 SER HA H 69 4.265 4.176 0.089 1
1 783 . 3 1 1 A 69 69 SER CB C 69 62.718 62.975 -0.257 1
1 786 . 3 1 1 A 69 69 SER C C 69 175.748 176.330 -0.582 1
1 787 . 3 1 1 A 70 70 TYR N N 70 119.475 118.036 1.439 1
1 788 . 3 1 1 A 70 70 TYR H H 70 7.728 7.940 -0.212 1
1 789 . 3 1 1 A 70 70 TYR CA C 70 60.061 60.236 -0.175 1
1 790 . 3 1 1 A 70 70 TYR HA H 70 4.620 4.466 0.154 1
1 791 . 3 1 1 A 70 70 TYR CB C 70 39.039 39.447 -0.408 1
1 802 . 3 1 1 A 70 70 TYR C C 70 176.140 176.385 -0.245 1
1 803 . 3 1 1 A 71 71 VAL N N 71 110.320 116.253 -5.933 1
1 804 . 3 1 1 A 71 71 VAL H H 71 8.064 7.838 0.226 1
1 805 . 3 1 1 A 71 71 VAL CA C 71 58.737 60.027 -1.290 1
1 806 . 3 1 1 A 71 71 VAL HA H 71 5.073 4.551 0.522 1
1 807 . 3 1 1 A 71 71 VAL CB C 71 35.550 34.173 1.377 1
1 817 . 3 1 1 A 71 71 VAL C C 71 173.044 173.989 -0.945 1
1 818 . 3 1 1 A 72 72 GLN N N 72 119.621 121.849 -2.228 1
1 819 . 3 1 1 A 72 72 GLN H H 72 8.448 8.842 -0.394 1
1 820 . 3 1 1 A 72 72 GLN CA C 72 54.351 54.240 0.111 1
1 821 . 3 1 1 A 72 72 GLN HA H 72 4.724 4.852 -0.128 1
1 822 . 3 1 1 A 72 72 GLN CB C 72 30.373 31.853 -1.480 1
1 831 . 3 1 1 A 72 72 GLN C C 72 176.050 174.648 1.402 1
1 832 . 3 1 1 A 73 73 VAL N N 73 130.439 127.799 2.640 1
1 833 . 3 1 1 A 73 73 VAL H H 73 9.369 8.917 0.452 1
1 834 . 3 1 1 A 73 73 VAL CA C 73 63.957 62.860 1.097 1
1 835 . 3 1 1 A 73 73 VAL HA H 73 3.856 3.969 -0.113 1
1 836 . 3 1 1 A 73 73 VAL CB C 73 32.616 31.083 1.533 1
1 846 . 3 1 1 A 73 73 VAL C C 73 176.043 176.015 0.028 1
1 847 . 3 1 1 A 74 74 SER N N 74 123.766 123.082 0.684 1
1 848 . 3 1 1 A 74 74 SER H H 74 8.708 8.916 -0.208 1
1 849 . 3 1 1 A 74 74 SER CA C 74 58.930 59.568 -0.638 1
1 850 . 3 1 1 A 74 74 SER HA H 74 4.627 4.501 0.126 1
1 851 . 3 1 1 A 74 74 SER CB C 74 63.548 64.712 -1.164 1
1 854 . 3 1 1 A 74 74 SER C C 74 174.821 173.403 1.418 1
1 855 . 3 1 1 A 75 75 ARG N N 75 122.335 119.088 3.247 1
1 856 . 3 1 1 A 75 75 ARG H H 75 7.690 7.634 0.056 1
1 857 . 3 1 1 A 75 75 ARG CA C 75 56.185 54.310 1.875 1
1 858 . 3 1 1 A 75 75 ARG HA H 75 4.526 4.645 -0.119 1
1 859 . 3 1 1 A 75 75 ARG CB C 75 33.734 32.950 0.784 1
1 868 . 3 1 1 A 75 75 ARG C C 75 174.824 175.318 -0.494 1
1 869 . 3 1 1 A 76 76 GLU N N 76 126.797 123.742 3.055 1
1 870 . 3 1 1 A 76 76 GLU H H 76 8.916 8.619 0.297 1
1 871 . 3 1 1 A 76 76 GLU CA C 76 54.874 54.426 0.448 1
1 872 . 3 1 1 A 76 76 GLU HA H 76 4.561 4.676 -0.115 1
1 873 . 3 1 1 A 76 76 GLU CB C 76 28.925 29.345 -0.420 1
1 879 . 3 1 1 A 76 76 GLU C C 76 175.557 174.791 0.766 1
1 880 . 3 1 1 A 77 77 PRO CA C 77 62.726 62.293 0.433 1
1 881 . 3 1 1 A 77 77 PRO HA H 77 4.584 4.571 0.013 1
1 882 . 3 1 1 A 77 77 PRO CB C 77 32.153 33.298 -1.145 1
1 891 . 3 1 1 A 78 78 ARG N N 78 120.959 121.755 -0.796 1
1 892 . 3 1 1 A 78 78 ARG H H 78 8.814 8.935 -0.121 1
1 893 . 3 1 1 A 78 78 ARG CA C 78 55.491 59.217 -3.726 1
1 894 . 3 1 1 A 78 78 ARG HA H 78 4.743 3.843 0.900 1
1 895 . 3 1 1 A 78 78 ARG CB C 78 33.443 29.972 3.471 1
1 904 . 3 1 1 A 79 79 LEU N N 79 125.756 120.176 5.580 1
1 905 . 3 1 1 A 79 79 LEU H H 79 8.789 7.868 0.921 1
1 906 . 3 1 1 A 79 79 LEU CA C 79 54.346 55.863 -1.517 1
1 907 . 3 1 1 A 79 79 LEU HA H 79 5.007 3.866 1.141 1
1 908 . 3 1 1 A 79 79 LEU CB C 79 44.609 40.378 4.231 1
1 917 . 3 1 1 A 80 80 ARG N N 80 121.792 119.134 2.658 1
1 918 . 3 1 1 A 80 80 ARG H H 80 8.908 7.968 0.940 1
1 919 . 3 1 1 A 80 80 ARG CA C 80 54.966 58.372 -3.406 1
1 920 . 3 1 1 A 80 80 ARG HA H 80 4.611 4.154 0.457 1
1 921 . 3 1 1 A 80 80 ARG CB C 80 32.686 29.746 2.940 1
1 924 . 3 1 1 A 81 81 LEU N N 81 126.556 119.393 7.163 1
1 925 . 3 1 1 A 81 81 LEU H H 81 8.702 7.902 0.800 1
1 926 . 3 1 1 A 81 81 LEU CA C 81 55.199 57.964 -2.765 1
1 927 . 3 1 1 A 81 81 LEU HA H 81 4.472 4.067 0.405 1
1 928 . 3 1 1 A 81 81 LEU CB C 81 42.368 41.599 0.769 1
1 941 . 3 1 1 A 82 82 CYS N N 82 121.583 116.578 5.005 1
1 942 . 3 1 1 A 82 82 CYS H H 82 8.466 7.633 0.833 1
1 943 . 3 1 1 A 82 82 CYS CA C 82 58.583 61.690 -3.107 1
1 944 . 3 1 1 A 82 82 CYS HA H 82 4.475 4.383 0.092 1
1 945 . 3 1 1 A 82 82 CYS CB C 82 28.438 28.339 0.099 1
1 948 . 3 1 1 A 83 83 ASP N N 83 122.639 119.678 2.961 1
1 949 . 3 1 1 A 83 83 ASP H H 83 8.400 8.130 0.270 1
1 950 . 3 1 1 A 83 83 ASP CA C 83 54.210 54.892 -0.682 1
1 951 . 3 1 1 A 83 83 ASP HA H 83 4.654 4.299 0.355 1
1 952 . 3 1 1 A 83 83 ASP CB C 83 41.291 39.454 1.837 1
1 955 . 3 1 1 A 83 83 ASP C C 83 175.900 176.212 -0.312 1
1 956 . 3 1 1 A 84 84 ASP N N 84 121.113 120.910 0.203 1
1 957 . 3 1 1 A 84 84 ASP H H 84 8.310 7.878 0.432 1
1 958 . 3 1 1 A 84 84 ASP CA C 84 54.330 57.159 -2.829 1
1 959 . 3 1 1 A 84 84 ASP HA H 84 4.650 4.416 0.234 1
1 960 . 3 1 1 A 84 84 ASP CB C 84 41.283 41.065 0.218 1
1 963 . 3 1 1 A 84 84 ASP C C 84 176.407 176.166 0.241 1
1 964 . 3 1 1 A 85 85 SER N N 85 116.212 115.034 1.178 1
1 965 . 3 1 1 A 85 85 SER H H 85 8.332 7.826 0.506 1
1 966 . 3 1 1 A 85 85 SER CA C 85 58.819 59.483 -0.664 1
1 967 . 3 1 1 A 85 85 SER HA H 85 4.438 4.549 -0.111 1
1 968 . 3 1 1 A 85 85 SER CB C 85 63.961 63.781 0.180 1
1 971 . 3 1 1 A 85 85 SER C C 85 174.867 174.174 0.693 1
1 972 . 3 1 1 A 86 86 GLY N N 86 110.652 111.685 -1.033 1
1 973 . 3 1 1 A 86 86 GLY H H 86 8.251 8.354 -0.103 1
1 974 . 3 1 1 A 86 86 GLY CA C 86 44.758 45.847 -1.089 1
1 975 . 3 1 1 A 86 86 GLY HA2 H 86 4.109 4.263 -0.154 1
1 976 . 3 1 1 A 86 86 GLY HA3 H 86 4.109 4.266 -0.157 1
1 977 . 3 1 1 A 86 86 GLY C C 86 171.914 171.577 0.337 1
1 978 . 3 1 1 A 87 87 PRO CA C 87 63.192 62.807 0.385 1
1 979 . 3 1 1 A 87 87 PRO HA H 87 4.484 4.716 -0.232 1
1 980 . 3 1 1 A 87 87 PRO CB C 87 32.243 33.219 -0.976 1
1 989 . 3 1 1 A 87 87 PRO C C 87 177.470 175.441 2.029 1
1 990 . 3 1 1 A 88 88 SER N N 88 116.433 116.303 0.130 1
1 991 . 3 1 1 A 88 88 SER H H 88 8.518 8.654 -0.136 1
1 992 . 3 1 1 A 88 88 SER CA C 88 58.330 57.300 1.030 1
1 993 . 3 1 1 A 88 88 SER HA H 88 4.571 4.782 -0.211 1
1 994 . 3 1 1 A 88 88 SER CB C 88 63.896 67.504 -3.608 1
1 997 . 3 1 1 A 88 88 SER C C 88 174.747 174.489 0.258 1
1 998 . 3 1 1 A 89 89 SER N N 89 117.882 119.365 -1.483 1
1 999 . 3 1 1 A 89 89 SER H H 89 8.335 8.747 -0.412 1
1 1000 . 3 1 1 A 89 89 SER CA C 89 58.497 59.035 -0.538 1
1 1001 . 3 1 1 A 89 89 SER CB C 89 64.209 61.194 3.015 1
1 1004 . 3 1 1 A 89 89 SER C C 89 174.100 174.039 0.061 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.146 44.592 0.554 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.966 4.197 -0.231 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.966 4.198 -0.232 1
1 4 . 4 1 1 A 7 7 GLY C C 7 173.687 173.740 -0.053 1
1 5 . 4 1 1 A 8 8 LYS N N 8 122.140 120.989 1.151 1
1 6 . 4 1 1 A 8 8 LYS H H 8 8.107 8.363 -0.256 1
1 7 . 4 1 1 A 8 8 LYS CA C 8 54.053 55.254 -1.201 1
1 8 . 4 1 1 A 8 8 LYS HA H 8 4.620 4.289 0.331 1
1 9 . 4 1 1 A 8 8 LYS CB C 8 32.649 32.407 0.242 1
1 21 . 4 1 1 A 8 8 LYS C C 8 174.270 176.016 -1.746 1
1 22 . 4 1 1 A 9 9 PRO CA C 9 61.632 61.663 -0.031 1
1 23 . 4 1 1 A 9 9 PRO HA H 9 4.687 4.603 0.084 1
1 24 . 4 1 1 A 9 9 PRO CB C 9 30.855 32.493 -1.638 1
1 33 . 4 1 1 A 10 10 PRO CA C 10 62.942 65.317 -2.375 1
1 34 . 4 1 1 A 10 10 PRO HA H 10 4.473 4.308 0.165 1
1 35 . 4 1 1 A 10 10 PRO CB C 10 32.197 32.062 0.135 1
1 44 . 4 1 1 A 11 11 THR N N 11 128.434 108.072 20.362 1
1 45 . 4 1 1 A 11 11 THR H H 11 8.172 7.788 0.384 1
1 46 . 4 1 1 A 11 11 THR CA C 11 61.644 62.342 -0.698 1
1 47 . 4 1 1 A 11 11 THR HA H 11 4.357 4.620 -0.263 1
1 48 . 4 1 1 A 11 11 THR CB C 11 70.204 69.959 0.245 1
1 54 . 4 1 1 A 12 12 TYR N N 12 120.312 118.737 1.575 1
1 55 . 4 1 1 A 12 12 TYR H H 12 8.033 7.938 0.095 1
1 56 . 4 1 1 A 12 12 TYR CA C 12 56.633 57.008 -0.375 1
1 57 . 4 1 1 A 12 12 TYR HA H 12 4.967 4.859 0.108 1
1 58 . 4 1 1 A 12 12 TYR CB C 12 40.403 40.673 -0.270 1
1 69 . 4 1 1 A 13 13 GLN H H 13 8.634 8.685 -0.051 1
1 70 . 4 1 1 A 13 13 GLN CA C 13 54.519 55.360 -0.841 1
1 71 . 4 1 1 A 13 13 GLN HA H 13 4.626 4.365 0.261 1
1 72 . 4 1 1 A 13 13 GLN CB C 13 31.183 29.014 2.169 1
1 81 . 4 1 1 A 14 14 VAL N N 14 124.270 117.059 7.211 1
1 82 . 4 1 1 A 14 14 VAL H H 14 8.773 7.934 0.839 1
1 83 . 4 1 1 A 14 14 VAL CA C 14 62.977 61.719 1.258 1
1 84 . 4 1 1 A 14 14 VAL HA H 14 4.018 4.089 -0.071 1
1 85 . 4 1 1 A 14 14 VAL CB C 14 32.909 31.521 1.388 1
1 95 . 4 1 1 A 15 15 LEU N N 15 128.403 124.580 3.823 1
1 96 . 4 1 1 A 15 15 LEU H H 15 8.726 8.119 0.607 1
1 97 . 4 1 1 A 15 15 LEU CA C 15 55.620 58.240 -2.620 1
1 98 . 4 1 1 A 15 15 LEU HA H 15 4.412 4.163 0.249 1
1 99 . 4 1 1 A 15 15 LEU CB C 15 42.580 41.852 0.728 1
1 112 . 4 1 1 A 16 16 GLU H H 16 8.687 8.213 0.474 1
1 113 . 4 1 1 A 16 16 GLU CA C 16 55.492 59.291 -3.799 1
1 114 . 4 1 1 A 16 16 GLU HA H 16 4.401 4.039 0.362 1
1 115 . 4 1 1 A 16 16 GLU CB C 16 32.409 29.768 2.641 1
1 120 . 4 1 1 A 17 17 TYR N N 17 124.726 117.983 6.743 1
1 121 . 4 1 1 A 17 17 TYR H H 17 8.505 7.770 0.735 1
1 122 . 4 1 1 A 17 17 TYR CA C 17 58.490 58.279 0.211 1
1 123 . 4 1 1 A 17 17 TYR HA H 17 4.598 4.595 0.003 1
1 124 . 4 1 1 A 17 17 TYR CB C 17 38.814 38.737 0.077 1
1 135 . 4 1 1 A 18 18 GLY N N 18 106.652 111.954 -5.302 1
1 136 . 4 1 1 A 18 18 GLY H H 18 9.176 8.974 0.202 1
1 137 . 4 1 1 A 18 18 GLY CA C 18 43.947 44.614 -0.667 1
1 138 . 4 1 1 A 18 18 GLY HA2 H 18 3.646 4.033 -0.387 1
1 139 . 4 1 1 A 18 18 GLY HA3 H 18 4.287 4.052 0.235 1
1 140 . 4 1 1 A 19 19 GLU N N 19 122.571 121.342 1.229 1
1 141 . 4 1 1 A 19 19 GLU H H 19 9.450 8.193 1.257 1
1 142 . 4 1 1 A 19 19 GLU CA C 19 56.496 54.938 1.558 1
1 143 . 4 1 1 A 19 19 GLU HA H 19 5.218 5.188 0.030 1
1 144 . 4 1 1 A 19 19 GLU CB C 19 34.419 33.298 1.121 1
1 149 . 4 1 1 A 19 19 GLU C C 19 173.496 175.257 -1.761 1
1 150 . 4 1 1 A 20 20 ALA N N 20 125.442 127.663 -2.221 1
1 151 . 4 1 1 A 20 20 ALA H H 20 8.813 8.730 0.083 1
1 152 . 4 1 1 A 20 20 ALA CA C 20 50.154 50.917 -0.763 1
1 153 . 4 1 1 A 20 20 ALA HA H 20 5.132 5.171 -0.039 1
1 154 . 4 1 1 A 20 20 ALA CB C 20 24.742 24.111 0.631 1
1 158 . 4 1 1 A 20 20 ALA C C 20 174.555 174.758 -0.203 1
1 159 . 4 1 1 A 21 21 VAL N N 21 117.729 118.397 -0.668 1
1 160 . 4 1 1 A 21 21 VAL H H 21 8.118 8.880 -0.762 1
1 161 . 4 1 1 A 21 21 VAL CA C 21 60.211 60.172 0.039 1
1 162 . 4 1 1 A 21 21 VAL HA H 21 4.478 4.440 0.038 1
1 163 . 4 1 1 A 21 21 VAL CB C 21 34.751 35.350 -0.599 1
1 173 . 4 1 1 A 21 21 VAL C C 21 176.351 175.100 1.251 1
1 174 . 4 1 1 A 22 22 ALA N N 22 130.024 129.169 0.855 1
1 175 . 4 1 1 A 22 22 ALA H H 22 8.689 8.336 0.353 1
1 176 . 4 1 1 A 22 22 ALA CA C 22 53.496 52.195 1.301 1
1 177 . 4 1 1 A 22 22 ALA HA H 22 4.170 4.189 -0.019 1
1 178 . 4 1 1 A 22 22 ALA CB C 22 20.793 18.475 2.318 1
1 182 . 4 1 1 A 22 22 ALA C C 22 178.156 177.483 0.673 1
1 183 . 4 1 1 A 23 23 GLN N N 23 126.904 124.336 2.568 1
1 184 . 4 1 1 A 23 23 GLN H H 23 9.442 8.505 0.937 1
1 185 . 4 1 1 A 23 23 GLN CA C 23 55.611 57.614 -2.003 1
1 186 . 4 1 1 A 23 23 GLN HA H 23 4.202 4.212 -0.010 1
1 187 . 4 1 1 A 23 23 GLN CB C 23 30.345 29.789 0.556 1
1 196 . 4 1 1 A 23 23 GLN C C 23 173.200 175.712 -2.512 1
1 197 . 4 1 1 A 24 24 TYR N N 24 115.157 115.678 -0.521 1
1 198 . 4 1 1 A 24 24 TYR H H 24 7.696 8.007 -0.311 1
1 199 . 4 1 1 A 24 24 TYR CA C 24 55.303 56.745 -1.442 1
1 200 . 4 1 1 A 24 24 TYR HA H 24 4.847 5.297 -0.450 1
1 201 . 4 1 1 A 24 24 TYR CB C 24 43.087 41.901 1.186 1
1 212 . 4 1 1 A 24 24 TYR C C 24 173.829 175.980 -2.151 1
1 213 . 4 1 1 A 25 25 THR N N 25 118.997 119.385 -0.388 1
1 214 . 4 1 1 A 25 25 THR H H 25 8.697 8.956 -0.259 1
1 215 . 4 1 1 A 25 25 THR CA C 25 63.201 63.599 -0.398 1
1 216 . 4 1 1 A 25 25 THR HA H 25 4.483 4.586 -0.103 1
1 217 . 4 1 1 A 25 25 THR CB C 25 70.228 69.318 0.910 1
1 223 . 4 1 1 A 25 25 THR C C 25 173.214 173.994 -0.780 1
1 224 . 4 1 1 A 26 26 PHE N N 26 129.691 126.580 3.111 1
1 225 . 4 1 1 A 26 26 PHE H H 26 8.460 8.142 0.318 1
1 226 . 4 1 1 A 26 26 PHE CA C 26 55.887 56.489 -0.602 1
1 227 . 4 1 1 A 26 26 PHE HA H 26 4.631 5.185 -0.554 1
1 228 . 4 1 1 A 26 26 PHE CB C 26 42.134 42.354 -0.220 1
1 241 . 4 1 1 A 26 26 PHE C C 26 173.089 173.716 -0.627 1
1 242 . 4 1 1 A 27 27 LYS N N 27 129.755 125.761 3.994 1
1 243 . 4 1 1 A 27 27 LYS H H 27 7.879 7.694 0.185 1
1 244 . 4 1 1 A 27 27 LYS CA C 27 54.562 54.176 0.386 1
1 245 . 4 1 1 A 27 27 LYS HA H 27 4.023 5.006 -0.983 1
1 246 . 4 1 1 A 27 27 LYS CB C 27 32.490 35.576 -3.086 1
1 258 . 4 1 1 A 27 27 LYS C C 27 174.852 174.846 0.006 1
1 259 . 4 1 1 A 28 28 GLY N N 28 113.171 112.254 0.917 1
1 260 . 4 1 1 A 28 28 GLY H H 28 7.726 8.177 -0.451 1
1 261 . 4 1 1 A 28 28 GLY CA C 28 45.922 45.394 0.528 1
1 262 . 4 1 1 A 28 28 GLY HA2 H 28 3.151 4.258 -1.107 1
1 263 . 4 1 1 A 28 28 GLY HA3 H 28 3.619 4.391 -0.772 1
1 264 . 4 1 1 A 28 28 GLY C C 28 173.250 172.364 0.886 1
1 265 . 4 1 1 A 29 29 ASP N N 29 121.578 117.956 3.622 1
1 266 . 4 1 1 A 29 29 ASP H H 29 8.743 8.569 0.174 1
1 267 . 4 1 1 A 29 29 ASP CA C 29 55.162 54.535 0.627 1
1 268 . 4 1 1 A 29 29 ASP HA H 29 4.616 4.760 -0.144 1
1 269 . 4 1 1 A 29 29 ASP CB C 29 42.815 42.679 0.136 1
1 272 . 4 1 1 A 29 29 ASP C C 29 176.583 176.376 0.207 1
1 273 . 4 1 1 A 30 30 LEU N N 30 119.139 121.407 -2.268 1
1 274 . 4 1 1 A 30 30 LEU H H 30 8.069 7.670 0.399 1
1 275 . 4 1 1 A 30 30 LEU CA C 30 54.174 55.151 -0.977 1
1 276 . 4 1 1 A 30 30 LEU HA H 30 4.585 4.236 0.349 1
1 277 . 4 1 1 A 30 30 LEU CB C 30 44.109 42.342 1.767 1
1 290 . 4 1 1 A 30 30 LEU C C 30 179.241 177.910 1.331 1
1 291 . 4 1 1 A 31 31 GLU N N 31 122.182 124.503 -2.321 1
1 292 . 4 1 1 A 31 31 GLU H H 31 8.905 9.157 -0.252 1
1 293 . 4 1 1 A 31 31 GLU CA C 31 59.392 60.253 -0.861 1
1 294 . 4 1 1 A 31 31 GLU HA H 31 4.151 3.921 0.230 1
1 295 . 4 1 1 A 31 31 GLU CB C 31 29.605 29.807 -0.202 1
1 301 . 4 1 1 A 31 31 GLU C C 31 177.520 178.197 -0.677 1
1 302 . 4 1 1 A 32 32 VAL N N 32 108.281 117.864 -9.583 1
1 303 . 4 1 1 A 32 32 VAL H H 32 7.186 7.927 -0.741 1
1 304 . 4 1 1 A 32 32 VAL CA C 32 61.950 65.470 -3.520 1
1 305 . 4 1 1 A 32 32 VAL HA H 32 4.365 3.839 0.526 1
1 306 . 4 1 1 A 32 32 VAL CB C 32 32.222 31.128 1.094 1
1 316 . 4 1 1 A 32 32 VAL C C 32 176.602 176.624 -0.022 1
1 317 . 4 1 1 A 33 33 GLU N N 33 120.835 120.978 -0.143 1
1 318 . 4 1 1 A 33 33 GLU H H 33 7.751 7.913 -0.162 1
1 319 . 4 1 1 A 33 33 GLU CA C 33 55.560 56.306 -0.746 1
1 320 . 4 1 1 A 33 33 GLU HA H 33 5.106 4.576 0.530 1
1 321 . 4 1 1 A 33 33 GLU CB C 33 31.354 29.857 1.497 1
1 327 . 4 1 1 A 33 33 GLU C C 33 176.180 175.937 0.243 1
1 328 . 4 1 1 A 34 34 LEU N N 34 126.568 128.093 -1.525 1
1 329 . 4 1 1 A 34 34 LEU H H 34 9.073 8.839 0.234 1
1 330 . 4 1 1 A 34 34 LEU CA C 34 53.385 54.169 -0.784 1
1 331 . 4 1 1 A 34 34 LEU HA H 34 4.481 5.058 -0.577 1
1 332 . 4 1 1 A 34 34 LEU CB C 34 44.305 44.655 -0.350 1
1 345 . 4 1 1 A 34 34 LEU C C 34 173.373 176.491 -3.118 1
1 346 . 4 1 1 A 35 35 SER N N 35 116.987 120.092 -3.105 1
1 347 . 4 1 1 A 35 35 SER H H 35 7.561 8.859 -1.298 1
1 348 . 4 1 1 A 35 35 SER CA C 35 58.335 56.419 1.916 1
1 349 . 4 1 1 A 35 35 SER HA H 35 4.569 5.269 -0.700 1
1 350 . 4 1 1 A 35 35 SER CB C 35 64.536 65.873 -1.337 1
1 353 . 4 1 1 A 35 35 SER C C 35 174.513 173.796 0.717 1
1 354 . 4 1 1 A 36 36 PHE N N 36 117.028 116.676 0.352 1
1 355 . 4 1 1 A 36 36 PHE H H 36 8.339 8.504 -0.165 1
1 356 . 4 1 1 A 36 36 PHE CA C 36 55.938 56.441 -0.503 1
1 357 . 4 1 1 A 36 36 PHE HA H 36 4.647 5.101 -0.454 1
1 358 . 4 1 1 A 36 36 PHE CB C 36 39.959 40.711 -0.752 1
1 371 . 4 1 1 A 36 36 PHE C C 36 174.055 172.150 1.905 1
1 372 . 4 1 1 A 37 37 ARG N N 37 120.296 120.577 -0.281 1
1 373 . 4 1 1 A 37 37 ARG H H 37 9.859 8.602 1.257 1
1 374 . 4 1 1 A 37 37 ARG CA C 37 53.915 54.976 -1.061 1
1 375 . 4 1 1 A 37 37 ARG HA H 37 4.929 4.796 0.133 1
1 376 . 4 1 1 A 37 37 ARG CB C 37 32.735 32.123 0.612 1
1 385 . 4 1 1 A 37 37 ARG C C 37 175.793 176.039 -0.246 1
1 386 . 4 1 1 A 38 38 LYS N N 38 121.649 124.370 -2.721 1
1 387 . 4 1 1 A 38 38 LYS H H 38 7.938 8.262 -0.324 1
1 388 . 4 1 1 A 38 38 LYS CA C 38 58.880 58.325 0.555 1
1 389 . 4 1 1 A 38 38 LYS HA H 38 3.291 4.219 -0.928 1
1 390 . 4 1 1 A 38 38 LYS CB C 38 32.755 32.169 0.586 1
1 402 . 4 1 1 A 38 38 LYS C C 38 176.459 177.338 -0.879 1
1 403 . 4 1 1 A 39 39 GLY N N 39 114.431 115.057 -0.626 1
1 404 . 4 1 1 A 39 39 GLY H H 39 8.618 9.054 -0.436 1
1 405 . 4 1 1 A 39 39 GLY CA C 39 44.652 45.081 -0.429 1
1 406 . 4 1 1 A 39 39 GLY HA2 H 39 3.438 3.995 -0.557 1
1 407 . 4 1 1 A 39 39 GLY HA3 H 39 4.399 4.002 0.397 1
1 408 . 4 1 1 A 39 39 GLY C C 39 174.586 174.419 0.167 1
1 409 . 4 1 1 A 40 40 GLU N N 40 119.554 121.234 -1.680 1
1 410 . 4 1 1 A 40 40 GLU H H 40 7.931 8.009 -0.078 1
1 411 . 4 1 1 A 40 40 GLU CA C 40 59.197 57.403 1.794 1
1 412 . 4 1 1 A 40 40 GLU HA H 40 4.272 4.320 -0.048 1
1 413 . 4 1 1 A 40 40 GLU CB C 40 30.759 30.787 -0.028 1
1 419 . 4 1 1 A 40 40 GLU C C 40 175.278 175.354 -0.076 1
1 420 . 4 1 1 A 41 41 HIS N N 41 121.677 120.067 1.610 1
1 421 . 4 1 1 A 41 41 HIS H H 41 8.837 9.057 -0.220 1
1 422 . 4 1 1 A 41 41 HIS CA C 41 56.432 54.997 1.435 1
1 423 . 4 1 1 A 41 41 HIS HA H 41 4.817 5.063 -0.246 1
1 424 . 4 1 1 A 41 41 HIS CB C 41 30.260 31.920 -1.660 1
1 431 . 4 1 1 A 41 41 HIS C C 41 174.622 174.041 0.581 1
1 432 . 4 1 1 A 42 42 ILE N N 42 123.889 123.863 0.026 1
1 433 . 4 1 1 A 42 42 ILE H H 42 8.753 9.127 -0.374 1
1 434 . 4 1 1 A 42 42 ILE CA C 42 60.433 60.054 0.379 1
1 435 . 4 1 1 A 42 42 ILE HA H 42 4.079 4.514 -0.435 1
1 436 . 4 1 1 A 42 42 ILE CB C 42 42.258 38.757 3.501 1
1 449 . 4 1 1 A 42 42 ILE C C 42 174.377 174.526 -0.149 1
1 450 . 4 1 1 A 43 43 CYS N N 43 127.431 127.966 -0.535 1
1 451 . 4 1 1 A 43 43 CYS H H 43 8.877 8.497 0.380 1
1 452 . 4 1 1 A 43 43 CYS CA C 43 57.909 58.841 -0.932 1
1 453 . 4 1 1 A 43 43 CYS HA H 43 4.654 4.715 -0.061 1
1 454 . 4 1 1 A 43 43 CYS CB C 43 26.650 27.911 -1.261 1
1 457 . 4 1 1 A 43 43 CYS C C 43 174.875 173.707 1.168 1
1 458 . 4 1 1 A 44 44 LEU N N 44 126.732 129.060 -2.328 1
1 459 . 4 1 1 A 44 44 LEU H H 44 7.724 8.414 -0.690 1
1 460 . 4 1 1 A 44 44 LEU CA C 44 53.741 54.824 -1.083 1
1 461 . 4 1 1 A 44 44 LEU HA H 44 4.546 4.373 0.173 1
1 462 . 4 1 1 A 44 44 LEU CB C 44 43.286 40.808 2.478 1
1 475 . 4 1 1 A 44 44 LEU C C 44 175.004 176.182 -1.178 1
1 476 . 4 1 1 A 45 45 ILE N N 45 125.519 126.795 -1.276 1
1 477 . 4 1 1 A 45 45 ILE H H 45 9.058 8.538 0.520 1
1 478 . 4 1 1 A 45 45 ILE CA C 45 63.488 63.691 -0.203 1
1 479 . 4 1 1 A 45 45 ILE HA H 45 4.121 4.285 -0.164 1
1 480 . 4 1 1 A 45 45 ILE CB C 45 39.808 38.571 1.237 1
1 493 . 4 1 1 A 46 46 ARG N N 46 105.448 119.843 -14.395 1
1 494 . 4 1 1 A 46 46 ARG H H 46 7.377 7.449 -0.072 1
1 495 . 4 1 1 A 46 46 ARG CA C 46 54.848 54.498 0.350 1
1 496 . 4 1 1 A 46 46 ARG HA H 46 4.576 4.767 -0.191 1
1 497 . 4 1 1 A 46 46 ARG CB C 46 32.078 34.690 -2.612 1
1 508 . 4 1 1 A 46 46 ARG C C 46 174.353 174.385 -0.032 1
1 509 . 4 1 1 A 47 47 LYS N N 47 124.397 125.540 -1.143 1
1 510 . 4 1 1 A 47 47 LYS H H 47 9.254 8.701 0.553 1
1 511 . 4 1 1 A 47 47 LYS CA C 47 56.832 56.611 0.221 1
1 512 . 4 1 1 A 47 47 LYS HA H 47 4.353 4.607 -0.254 1
1 513 . 4 1 1 A 47 47 LYS CB C 47 32.868 32.439 0.429 1
1 525 . 4 1 1 A 47 47 LYS C C 47 176.540 176.246 0.294 1
1 526 . 4 1 1 A 48 48 VAL N N 48 126.203 127.698 -1.495 1
1 527 . 4 1 1 A 48 48 VAL H H 48 8.289 8.664 -0.375 1
1 528 . 4 1 1 A 48 48 VAL CA C 48 63.966 64.383 -0.417 1
1 529 . 4 1 1 A 48 48 VAL HA H 48 3.784 3.916 -0.132 1
1 530 . 4 1 1 A 48 48 VAL CB C 48 33.030 32.597 0.433 1
1 540 . 4 1 1 A 48 48 VAL C C 48 175.547 175.019 0.528 1
1 541 . 4 1 1 A 49 49 ASN N N 49 115.717 116.337 -0.620 1
1 542 . 4 1 1 A 49 49 ASN H H 49 8.167 7.341 0.826 1
1 543 . 4 1 1 A 49 49 ASN CA C 49 52.768 51.539 1.229 1
1 544 . 4 1 1 A 49 49 ASN HA H 49 4.428 5.068 -0.640 1
1 545 . 4 1 1 A 49 49 ASN CB C 49 37.683 42.656 -4.973 1
1 551 . 4 1 1 A 49 49 ASN C C 49 174.537 175.586 -1.049 1
1 552 . 4 1 1 A 50 50 GLU N N 50 114.361 120.436 -6.075 1
1 553 . 4 1 1 A 50 50 GLU H H 50 8.781 9.233 -0.452 1
1 554 . 4 1 1 A 50 50 GLU CA C 50 59.835 57.994 1.841 1
1 555 . 4 1 1 A 50 50 GLU HA H 50 3.947 4.045 -0.098 1
1 556 . 4 1 1 A 50 50 GLU CB C 50 29.534 28.580 0.954 1
1 562 . 4 1 1 A 50 50 GLU C C 50 176.796 175.612 1.184 1
1 563 . 4 1 1 A 51 51 ASN N N 51 112.673 116.162 -3.489 1
1 564 . 4 1 1 A 51 51 ASN H H 51 8.535 7.843 0.692 1
1 565 . 4 1 1 A 51 51 ASN CA C 51 53.328 54.123 -0.795 1
1 566 . 4 1 1 A 51 51 ASN HA H 51 4.968 4.747 0.221 1
1 567 . 4 1 1 A 51 51 ASN CB C 51 41.171 41.336 -0.165 1
1 573 . 4 1 1 A 51 51 ASN C C 51 174.756 174.883 -0.127 1
1 574 . 4 1 1 A 52 52 TRP N N 52 121.399 117.780 3.619 1
1 575 . 4 1 1 A 52 52 TRP H H 52 7.726 7.741 -0.015 1
1 576 . 4 1 1 A 52 52 TRP CA C 52 57.485 56.983 0.502 1
1 577 . 4 1 1 A 52 52 TRP HA H 52 5.072 5.036 0.036 1
1 578 . 4 1 1 A 52 52 TRP CB C 52 31.703 31.178 0.525 1
1 593 . 4 1 1 A 52 52 TRP C C 52 174.756 176.019 -1.263 1
1 594 . 4 1 1 A 53 53 TYR N N 53 118.564 120.284 -1.720 1
1 595 . 4 1 1 A 53 53 TYR H H 53 8.443 8.957 -0.514 1
1 596 . 4 1 1 A 53 53 TYR CA C 53 57.305 55.792 1.513 1
1 597 . 4 1 1 A 53 53 TYR HA H 53 4.978 4.941 0.037 1
1 598 . 4 1 1 A 53 53 TYR CB C 53 44.030 41.304 2.726 1
1 609 . 4 1 1 A 53 53 TYR C C 53 174.045 173.983 0.062 1
1 610 . 4 1 1 A 54 54 GLU N N 54 117.557 124.737 -7.180 1
1 611 . 4 1 1 A 54 54 GLU H H 54 8.906 8.508 0.398 1
1 612 . 4 1 1 A 54 54 GLU CA C 54 54.986 55.784 -0.798 1
1 613 . 4 1 1 A 54 54 GLU HA H 54 5.059 4.823 0.236 1
1 614 . 4 1 1 A 54 54 GLU CB C 54 32.458 30.612 1.846 1
1 620 . 4 1 1 A 54 54 GLU C C 54 176.438 175.803 0.635 1
1 621 . 4 1 1 A 55 55 GLY N N 55 114.051 113.236 0.815 1
1 622 . 4 1 1 A 55 55 GLY H H 55 9.556 8.709 0.847 1
1 623 . 4 1 1 A 55 55 GLY CA C 55 45.816 45.353 0.463 1
1 624 . 4 1 1 A 55 55 GLY HA2 H 55 5.166 4.447 0.719 1
1 625 . 4 1 1 A 55 55 GLY HA3 H 55 3.929 4.567 -0.638 1
1 626 . 4 1 1 A 55 55 GLY C C 55 169.584 172.927 -3.343 1
1 627 . 4 1 1 A 56 56 ARG N N 56 116.523 117.670 -1.147 1
1 628 . 4 1 1 A 56 56 ARG H H 56 9.093 8.268 0.825 1
1 629 . 4 1 1 A 56 56 ARG CA C 56 53.977 54.330 -0.353 1
1 630 . 4 1 1 A 56 56 ARG HA H 56 5.528 5.282 0.246 1
1 631 . 4 1 1 A 56 56 ARG CB C 56 34.963 33.876 1.087 1
1 640 . 4 1 1 A 56 56 ARG C C 56 174.325 174.588 -0.263 1
1 641 . 4 1 1 A 57 57 ILE N N 57 123.690 123.866 -0.176 1
1 642 . 4 1 1 A 57 57 ILE H H 57 8.230 8.302 -0.072 1
1 643 . 4 1 1 A 57 57 ILE CA C 57 59.706 60.864 -1.158 1
1 644 . 4 1 1 A 57 57 ILE HA H 57 4.585 4.355 0.230 1
1 645 . 4 1 1 A 57 57 ILE CB C 57 35.623 38.051 -2.428 1
1 658 . 4 1 1 A 57 57 ILE C C 57 177.239 175.903 1.336 1
1 659 . 4 1 1 A 58 58 THR N N 58 112.797 123.140 -10.343 1
1 660 . 4 1 1 A 58 58 THR H H 58 8.805 8.604 0.201 1
1 661 . 4 1 1 A 58 58 THR CA C 58 65.598 63.706 1.892 1
1 662 . 4 1 1 A 58 58 THR HA H 58 3.857 4.033 -0.176 1
1 663 . 4 1 1 A 58 58 THR CB C 58 68.553 68.728 -0.175 1
1 669 . 4 1 1 A 59 59 GLY CA C 59 45.463 45.461 0.002 1
1 670 . 4 1 1 A 59 59 GLY HA2 H 59 3.834 3.971 -0.137 1
1 671 . 4 1 1 A 59 59 GLY HA3 H 59 4.266 3.973 0.293 1
1 672 . 4 1 1 A 59 59 GLY C C 59 174.543 174.082 0.461 1
1 673 . 4 1 1 A 60 60 THR N N 60 108.632 112.287 -3.655 1
1 674 . 4 1 1 A 60 60 THR H H 60 7.779 7.720 0.059 1
1 675 . 4 1 1 A 60 60 THR CA C 60 61.017 60.581 0.436 1
1 676 . 4 1 1 A 60 60 THR HA H 60 4.892 4.608 0.284 1
1 677 . 4 1 1 A 60 60 THR CB C 60 72.426 71.304 1.122 1
1 683 . 4 1 1 A 60 60 THR C C 60 175.144 174.557 0.587 1
1 684 . 4 1 1 A 61 61 GLY CA C 61 45.320 45.903 -0.583 1
1 685 . 4 1 1 A 61 61 GLY HA2 H 61 3.930 3.865 0.065 1
1 686 . 4 1 1 A 61 61 GLY HA3 H 61 4.183 3.865 0.318 1
1 687 . 4 1 1 A 61 61 GLY C C 61 174.641 174.013 0.628 1
1 688 . 4 1 1 A 62 62 ARG N N 62 121.575 119.130 2.445 1
1 689 . 4 1 1 A 62 62 ARG H H 62 8.229 7.558 0.671 1
1 690 . 4 1 1 A 62 62 ARG CA C 62 56.440 55.253 1.187 1
1 691 . 4 1 1 A 62 62 ARG HA H 62 4.380 4.752 -0.372 1
1 692 . 4 1 1 A 62 62 ARG CB C 62 30.667 32.697 -2.030 1
1 701 . 4 1 1 A 62 62 ARG C C 62 174.530 175.443 -0.913 1
1 702 . 4 1 1 A 63 63 GLN N N 63 124.206 122.542 1.664 1
1 703 . 4 1 1 A 63 63 GLN H H 63 8.473 8.759 -0.286 1
1 704 . 4 1 1 A 63 63 GLN CA C 63 54.768 55.491 -0.723 1
1 705 . 4 1 1 A 63 63 GLN HA H 63 5.449 4.964 0.485 1
1 706 . 4 1 1 A 63 63 GLN CB C 63 32.243 32.011 0.232 1
1 715 . 4 1 1 A 63 63 GLN C C 63 174.555 174.699 -0.144 1
1 716 . 4 1 1 A 64 64 GLY N N 64 111.132 110.667 0.465 1
1 717 . 4 1 1 A 64 64 GLY H H 64 8.962 8.488 0.474 1
1 718 . 4 1 1 A 64 64 GLY CA C 64 45.780 46.245 -0.465 1
1 719 . 4 1 1 A 64 64 GLY HA2 H 64 4.498 4.247 0.251 1
1 720 . 4 1 1 A 64 64 GLY HA3 H 64 4.351 4.296 0.055 1
1 721 . 4 1 1 A 64 64 GLY C C 64 172.117 172.236 -0.119 1
1 722 . 4 1 1 A 65 65 ILE N N 65 114.051 116.610 -2.559 1
1 723 . 4 1 1 A 65 65 ILE H H 65 8.824 8.900 -0.076 1
1 724 . 4 1 1 A 65 65 ILE CA C 65 59.949 59.056 0.893 1
1 725 . 4 1 1 A 65 65 ILE HA H 65 6.195 5.203 0.992 1
1 726 . 4 1 1 A 65 65 ILE CB C 65 41.669 40.458 1.211 1
1 739 . 4 1 1 A 65 65 ILE C C 65 176.874 175.344 1.530 1
1 740 . 4 1 1 A 66 66 PHE N N 66 116.902 118.567 -1.665 1
1 741 . 4 1 1 A 66 66 PHE H H 66 8.770 8.278 0.492 1
1 742 . 4 1 1 A 66 66 PHE CA C 66 56.114 55.535 0.579 1
1 743 . 4 1 1 A 66 66 PHE HA H 66 4.952 5.047 -0.095 1
1 744 . 4 1 1 A 66 66 PHE CB C 66 38.504 39.645 -1.141 1
1 757 . 4 1 1 A 66 66 PHE C C 66 170.992 171.671 -0.679 1
1 758 . 4 1 1 A 67 67 PRO CA C 67 61.161 62.537 -1.376 1
1 759 . 4 1 1 A 67 67 PRO HA H 67 3.678 4.042 -0.364 1
1 760 . 4 1 1 A 67 67 PRO CB C 67 30.788 31.804 -1.016 1
1 769 . 4 1 1 A 67 67 PRO C C 67 177.819 177.299 0.520 1
1 770 . 4 1 1 A 68 68 ALA N N 68 126.195 127.338 -1.143 1
1 771 . 4 1 1 A 68 68 ALA H H 68 8.458 8.378 0.080 1
1 772 . 4 1 1 A 68 68 ALA CA C 68 54.676 54.045 0.631 1
1 773 . 4 1 1 A 68 68 ALA HA H 68 4.008 4.340 -0.332 1
1 774 . 4 1 1 A 68 68 ALA CB C 68 18.986 18.793 0.193 1
1 778 . 4 1 1 A 68 68 ALA C C 68 178.933 178.162 0.771 1
1 779 . 4 1 1 A 69 69 SER N N 69 110.156 112.704 -2.548 1
1 780 . 4 1 1 A 69 69 SER H H 69 8.370 8.176 0.194 1
1 781 . 4 1 1 A 69 69 SER CA C 69 60.250 58.925 1.325 1
1 782 . 4 1 1 A 69 69 SER HA H 69 4.265 4.600 -0.335 1
1 783 . 4 1 1 A 69 69 SER CB C 69 62.718 63.951 -1.233 1
1 786 . 4 1 1 A 69 69 SER C C 69 175.748 174.823 0.925 1
1 787 . 4 1 1 A 70 70 TYR N N 70 119.475 118.777 0.698 1
1 788 . 4 1 1 A 70 70 TYR H H 70 7.728 7.735 -0.007 1
1 789 . 4 1 1 A 70 70 TYR CA C 70 60.061 58.892 1.169 1
1 790 . 4 1 1 A 70 70 TYR HA H 70 4.620 4.899 -0.279 1
1 791 . 4 1 1 A 70 70 TYR CB C 70 39.039 40.718 -1.679 1
1 802 . 4 1 1 A 70 70 TYR C C 70 176.140 175.970 0.170 1
1 803 . 4 1 1 A 71 71 VAL N N 71 110.320 114.183 -3.863 1
1 804 . 4 1 1 A 71 71 VAL H H 71 8.064 7.638 0.426 1
1 805 . 4 1 1 A 71 71 VAL CA C 71 58.737 58.914 -0.177 1
1 806 . 4 1 1 A 71 71 VAL HA H 71 5.073 4.954 0.119 1
1 807 . 4 1 1 A 71 71 VAL CB C 71 35.550 35.180 0.370 1
1 817 . 4 1 1 A 71 71 VAL C C 71 173.044 173.560 -0.516 1
1 818 . 4 1 1 A 72 72 GLN N N 72 119.621 121.921 -2.300 1
1 819 . 4 1 1 A 72 72 GLN H H 72 8.448 9.195 -0.747 1
1 820 . 4 1 1 A 72 72 GLN CA C 72 54.351 54.399 -0.048 1
1 821 . 4 1 1 A 72 72 GLN HA H 72 4.724 4.980 -0.256 1
1 822 . 4 1 1 A 72 72 GLN CB C 72 30.373 32.196 -1.823 1
1 831 . 4 1 1 A 72 72 GLN C C 72 176.050 173.841 2.209 1
1 832 . 4 1 1 A 73 73 VAL N N 73 130.439 126.954 3.485 1
1 833 . 4 1 1 A 73 73 VAL H H 73 9.369 8.763 0.606 1
1 834 . 4 1 1 A 73 73 VAL CA C 73 63.957 60.191 3.766 1
1 835 . 4 1 1 A 73 73 VAL HA H 73 3.856 4.566 -0.710 1
1 836 . 4 1 1 A 73 73 VAL CB C 73 32.616 33.284 -0.668 1
1 846 . 4 1 1 A 73 73 VAL C C 73 176.043 174.822 1.221 1
1 847 . 4 1 1 A 74 74 SER N N 74 123.766 122.486 1.280 1
1 848 . 4 1 1 A 74 74 SER H H 74 8.708 8.682 0.026 1
1 849 . 4 1 1 A 74 74 SER CA C 74 58.930 59.942 -1.012 1
1 850 . 4 1 1 A 74 74 SER HA H 74 4.627 4.551 0.076 1
1 851 . 4 1 1 A 74 74 SER CB C 74 63.548 64.282 -0.734 1
1 854 . 4 1 1 A 74 74 SER C C 74 174.821 174.982 -0.161 1
1 855 . 4 1 1 A 75 75 ARG N N 75 122.335 120.807 1.528 1
1 856 . 4 1 1 A 75 75 ARG H H 75 7.690 7.302 0.388 1
1 857 . 4 1 1 A 75 75 ARG CA C 75 56.185 55.044 1.141 1
1 858 . 4 1 1 A 75 75 ARG HA H 75 4.526 4.741 -0.215 1
1 859 . 4 1 1 A 75 75 ARG CB C 75 33.734 32.833 0.901 1
1 868 . 4 1 1 A 75 75 ARG C C 75 174.824 174.755 0.069 1
1 869 . 4 1 1 A 76 76 GLU N N 76 126.797 127.280 -0.483 1
1 870 . 4 1 1 A 76 76 GLU H H 76 8.916 8.503 0.413 1
1 871 . 4 1 1 A 76 76 GLU CA C 76 54.874 55.377 -0.503 1
1 872 . 4 1 1 A 76 76 GLU HA H 76 4.561 4.351 0.210 1
1 873 . 4 1 1 A 76 76 GLU CB C 76 28.925 29.020 -0.095 1
1 879 . 4 1 1 A 76 76 GLU C C 76 175.557 174.840 0.717 1
1 880 . 4 1 1 A 77 77 PRO CA C 77 62.726 62.956 -0.230 1
1 881 . 4 1 1 A 77 77 PRO HA H 77 4.584 4.612 -0.028 1
1 882 . 4 1 1 A 77 77 PRO CB C 77 32.153 32.096 0.057 1
1 891 . 4 1 1 A 78 78 ARG N N 78 120.959 121.720 -0.761 1
1 892 . 4 1 1 A 78 78 ARG H H 78 8.814 8.570 0.244 1
1 893 . 4 1 1 A 78 78 ARG CA C 78 55.491 55.381 0.110 1
1 894 . 4 1 1 A 78 78 ARG HA H 78 4.743 4.601 0.142 1
1 895 . 4 1 1 A 78 78 ARG CB C 78 33.443 31.554 1.889 1
1 904 . 4 1 1 A 79 79 LEU N N 79 125.756 128.294 -2.538 1
1 905 . 4 1 1 A 79 79 LEU H H 79 8.789 8.771 0.018 1
1 906 . 4 1 1 A 79 79 LEU CA C 79 54.346 54.357 -0.011 1
1 907 . 4 1 1 A 79 79 LEU HA H 79 5.007 4.644 0.363 1
1 908 . 4 1 1 A 79 79 LEU CB C 79 44.609 41.631 2.978 1
1 917 . 4 1 1 A 80 80 ARG N N 80 121.792 115.186 6.606 1
1 918 . 4 1 1 A 80 80 ARG H H 80 8.908 7.958 0.950 1
1 919 . 4 1 1 A 80 80 ARG CA C 80 54.966 57.262 -2.296 1
1 920 . 4 1 1 A 80 80 ARG HA H 80 4.611 3.958 0.653 1
1 921 . 4 1 1 A 80 80 ARG CB C 80 32.686 26.980 5.706 1
1 924 . 4 1 1 A 81 81 LEU N N 81 126.556 115.218 11.338 1
1 925 . 4 1 1 A 81 81 LEU H H 81 8.702 8.108 0.594 1
1 926 . 4 1 1 A 81 81 LEU CA C 81 55.199 53.810 1.389 1
1 927 . 4 1 1 A 81 81 LEU HA H 81 4.472 4.682 -0.210 1
1 928 . 4 1 1 A 81 81 LEU CB C 81 42.368 41.544 0.824 1
1 941 . 4 1 1 A 82 82 CYS N N 82 121.583 118.258 3.325 1
1 942 . 4 1 1 A 82 82 CYS H H 82 8.466 7.534 0.932 1
1 943 . 4 1 1 A 82 82 CYS CA C 82 58.583 57.376 1.207 1
1 944 . 4 1 1 A 82 82 CYS HA H 82 4.475 4.987 -0.512 1
1 945 . 4 1 1 A 82 82 CYS CB C 82 28.438 32.556 -4.118 1
1 948 . 4 1 1 A 83 83 ASP N N 83 122.639 122.851 -0.212 1
1 949 . 4 1 1 A 83 83 ASP H H 83 8.400 9.218 -0.818 1
1 950 . 4 1 1 A 83 83 ASP CA C 83 54.210 55.743 -1.533 1
1 951 . 4 1 1 A 83 83 ASP HA H 83 4.654 4.780 -0.126 1
1 952 . 4 1 1 A 83 83 ASP CB C 83 41.291 43.138 -1.847 1
1 955 . 4 1 1 A 83 83 ASP C C 83 175.900 175.452 0.448 1
1 956 . 4 1 1 A 84 84 ASP N N 84 121.113 116.465 4.648 1
1 957 . 4 1 1 A 84 84 ASP H H 84 8.310 7.821 0.489 1
1 958 . 4 1 1 A 84 84 ASP CA C 84 54.330 52.981 1.349 1
1 959 . 4 1 1 A 84 84 ASP HA H 84 4.650 4.948 -0.298 1
1 960 . 4 1 1 A 84 84 ASP CB C 84 41.283 43.173 -1.890 1
1 963 . 4 1 1 A 84 84 ASP C C 84 176.407 175.352 1.055 1
1 964 . 4 1 1 A 85 85 SER N N 85 116.212 112.796 3.416 1
1 965 . 4 1 1 A 85 85 SER H H 85 8.332 8.604 -0.272 1
1 966 . 4 1 1 A 85 85 SER CA C 85 58.819 56.783 2.036 1
1 967 . 4 1 1 A 85 85 SER HA H 85 4.438 5.267 -0.829 1
1 968 . 4 1 1 A 85 85 SER CB C 85 63.961 66.566 -2.605 1
1 971 . 4 1 1 A 85 85 SER C C 85 174.867 173.177 1.690 1
1 972 . 4 1 1 A 86 86 GLY N N 86 110.652 108.420 2.232 1
1 973 . 4 1 1 A 86 86 GLY H H 86 8.251 8.229 0.022 1
1 974 . 4 1 1 A 86 86 GLY CA C 86 44.758 45.385 -0.627 1
1 975 . 4 1 1 A 86 86 GLY HA2 H 86 4.109 4.174 -0.065 1
1 976 . 4 1 1 A 86 86 GLY HA3 H 86 4.109 4.175 -0.066 1
1 977 . 4 1 1 A 86 86 GLY C C 86 171.914 174.271 -2.357 1
1 978 . 4 1 1 A 87 87 PRO CA C 87 63.192 63.774 -0.582 1
1 979 . 4 1 1 A 87 87 PRO HA H 87 4.484 4.491 -0.007 1
1 980 . 4 1 1 A 87 87 PRO CB C 87 32.243 31.475 0.768 1
1 989 . 4 1 1 A 87 87 PRO C C 87 177.470 176.340 1.130 1
1 990 . 4 1 1 A 88 88 SER N N 88 116.433 116.692 -0.259 1
1 991 . 4 1 1 A 88 88 SER H H 88 8.518 8.114 0.404 1
1 992 . 4 1 1 A 88 88 SER CA C 88 58.330 58.333 -0.003 1
1 993 . 4 1 1 A 88 88 SER HA H 88 4.571 4.744 -0.173 1
1 994 . 4 1 1 A 88 88 SER CB C 88 63.896 64.534 -0.638 1
1 997 . 4 1 1 A 88 88 SER C C 88 174.747 174.727 0.020 1
1 998 . 4 1 1 A 89 89 SER N N 89 117.882 121.658 -3.776 1
1 999 . 4 1 1 A 89 89 SER H H 89 8.335 9.045 -0.710 1
1 1000 . 4 1 1 A 89 89 SER CA C 89 58.497 61.789 -3.292 1
1 1001 . 4 1 1 A 89 89 SER CB C 89 64.209 63.200 1.009 1
1 1004 . 4 1 1 A 89 89 SER C C 89 174.100 177.354 -3.254 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.146 46.139 -0.993 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.966 4.102 -0.136 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.966 4.102 -0.136 1
1 4 . 5 1 1 A 7 7 GLY C C 7 173.687 171.990 1.697 1
1 5 . 5 1 1 A 8 8 LYS N N 8 122.140 119.899 2.241 1
1 6 . 5 1 1 A 8 8 LYS H H 8 8.107 8.135 -0.028 1
1 7 . 5 1 1 A 8 8 LYS CA C 8 54.053 53.126 0.927 1
1 8 . 5 1 1 A 8 8 LYS HA H 8 4.620 4.842 -0.222 1
1 9 . 5 1 1 A 8 8 LYS CB C 8 32.649 33.748 -1.099 1
1 21 . 5 1 1 A 8 8 LYS C C 8 174.270 173.830 0.440 1
1 22 . 5 1 1 A 9 9 PRO CA C 9 61.632 61.615 0.017 1
1 23 . 5 1 1 A 9 9 PRO HA H 9 4.687 4.625 0.062 1
1 24 . 5 1 1 A 9 9 PRO CB C 9 30.855 31.584 -0.729 1
1 33 . 5 1 1 A 10 10 PRO CA C 10 62.942 62.686 0.256 1
1 34 . 5 1 1 A 10 10 PRO HA H 10 4.473 4.586 -0.113 1
1 35 . 5 1 1 A 10 10 PRO CB C 10 32.197 32.477 -0.280 1
1 44 . 5 1 1 A 11 11 THR N N 11 128.434 112.508 15.926 1
1 45 . 5 1 1 A 11 11 THR H H 11 8.172 8.440 -0.268 1
1 46 . 5 1 1 A 11 11 THR CA C 11 61.644 59.608 2.036 1
1 47 . 5 1 1 A 11 11 THR HA H 11 4.357 5.070 -0.713 1
1 48 . 5 1 1 A 11 11 THR CB C 11 70.204 71.906 -1.702 1
1 54 . 5 1 1 A 12 12 TYR N N 12 120.312 122.622 -2.310 1
1 55 . 5 1 1 A 12 12 TYR H H 12 8.033 9.058 -1.025 1
1 56 . 5 1 1 A 12 12 TYR CA C 12 56.633 56.772 -0.139 1
1 57 . 5 1 1 A 12 12 TYR HA H 12 4.967 4.942 0.025 1
1 58 . 5 1 1 A 12 12 TYR CB C 12 40.403 39.373 1.030 1
1 69 . 5 1 1 A 13 13 GLN H H 13 8.634 9.076 -0.442 1
1 70 . 5 1 1 A 13 13 GLN CA C 13 54.519 56.724 -2.205 1
1 71 . 5 1 1 A 13 13 GLN HA H 13 4.626 4.606 0.020 1
1 72 . 5 1 1 A 13 13 GLN CB C 13 31.183 30.545 0.638 1
1 81 . 5 1 1 A 14 14 VAL N N 14 124.270 112.313 11.957 1
1 82 . 5 1 1 A 14 14 VAL H H 14 8.773 7.679 1.094 1
1 83 . 5 1 1 A 14 14 VAL CA C 14 62.977 61.117 1.860 1
1 84 . 5 1 1 A 14 14 VAL HA H 14 4.018 4.289 -0.271 1
1 85 . 5 1 1 A 14 14 VAL CB C 14 32.909 31.288 1.621 1
1 95 . 5 1 1 A 15 15 LEU N N 15 128.403 120.076 8.327 1
1 96 . 5 1 1 A 15 15 LEU H H 15 8.726 7.700 1.026 1
1 97 . 5 1 1 A 15 15 LEU CA C 15 55.620 53.054 2.566 1
1 98 . 5 1 1 A 15 15 LEU HA H 15 4.412 4.742 -0.330 1
1 99 . 5 1 1 A 15 15 LEU CB C 15 42.580 44.788 -2.208 1
1 112 . 5 1 1 A 16 16 GLU H H 16 8.687 8.890 -0.203 1
1 113 . 5 1 1 A 16 16 GLU CA C 16 55.492 57.758 -2.266 1
1 114 . 5 1 1 A 16 16 GLU HA H 16 4.401 4.518 -0.117 1
1 115 . 5 1 1 A 16 16 GLU CB C 16 32.409 31.248 1.161 1
1 120 . 5 1 1 A 17 17 TYR N N 17 124.726 119.670 5.056 1
1 121 . 5 1 1 A 17 17 TYR H H 17 8.505 7.922 0.583 1
1 122 . 5 1 1 A 17 17 TYR CA C 17 58.490 58.462 0.028 1
1 123 . 5 1 1 A 17 17 TYR HA H 17 4.598 4.584 0.014 1
1 124 . 5 1 1 A 17 17 TYR CB C 17 38.814 39.510 -0.696 1
1 135 . 5 1 1 A 18 18 GLY N N 18 106.652 110.221 -3.569 1
1 136 . 5 1 1 A 18 18 GLY H H 18 9.176 8.078 1.098 1
1 137 . 5 1 1 A 18 18 GLY CA C 18 43.947 45.472 -1.525 1
1 138 . 5 1 1 A 18 18 GLY HA2 H 18 3.646 3.937 -0.291 1
1 139 . 5 1 1 A 18 18 GLY HA3 H 18 4.287 3.953 0.334 1
1 140 . 5 1 1 A 19 19 GLU N N 19 122.571 121.978 0.593 1
1 141 . 5 1 1 A 19 19 GLU H H 19 9.450 8.673 0.777 1
1 142 . 5 1 1 A 19 19 GLU CA C 19 56.496 55.037 1.459 1
1 143 . 5 1 1 A 19 19 GLU HA H 19 5.218 5.160 0.058 1
1 144 . 5 1 1 A 19 19 GLU CB C 19 34.419 33.101 1.318 1
1 149 . 5 1 1 A 19 19 GLU C C 19 173.496 174.992 -1.496 1
1 150 . 5 1 1 A 20 20 ALA N N 20 125.442 128.209 -2.767 1
1 151 . 5 1 1 A 20 20 ALA H H 20 8.813 8.750 0.063 1
1 152 . 5 1 1 A 20 20 ALA CA C 20 50.154 50.667 -0.513 1
1 153 . 5 1 1 A 20 20 ALA HA H 20 5.132 5.359 -0.227 1
1 154 . 5 1 1 A 20 20 ALA CB C 20 24.742 23.174 1.568 1
1 158 . 5 1 1 A 20 20 ALA C C 20 174.555 175.674 -1.119 1
1 159 . 5 1 1 A 21 21 VAL N N 21 117.729 119.885 -2.156 1
1 160 . 5 1 1 A 21 21 VAL H H 21 8.118 8.667 -0.549 1
1 161 . 5 1 1 A 21 21 VAL CA C 21 60.211 60.933 -0.722 1
1 162 . 5 1 1 A 21 21 VAL HA H 21 4.478 4.459 0.019 1
1 163 . 5 1 1 A 21 21 VAL CB C 21 34.751 34.241 0.510 1
1 173 . 5 1 1 A 21 21 VAL C C 21 176.351 175.400 0.951 1
1 174 . 5 1 1 A 22 22 ALA N N 22 130.024 130.605 -0.581 1
1 175 . 5 1 1 A 22 22 ALA H H 22 8.689 8.494 0.195 1
1 176 . 5 1 1 A 22 22 ALA CA C 22 53.496 53.048 0.448 1
1 177 . 5 1 1 A 22 22 ALA HA H 22 4.170 4.059 0.111 1
1 178 . 5 1 1 A 22 22 ALA CB C 22 20.793 18.907 1.886 1
1 182 . 5 1 1 A 22 22 ALA C C 22 178.156 176.537 1.619 1
1 183 . 5 1 1 A 23 23 GLN N N 23 126.904 122.427 4.477 1
1 184 . 5 1 1 A 23 23 GLN H H 23 9.442 8.378 1.064 1
1 185 . 5 1 1 A 23 23 GLN CA C 23 55.611 56.992 -1.381 1
1 186 . 5 1 1 A 23 23 GLN HA H 23 4.202 4.437 -0.235 1
1 187 . 5 1 1 A 23 23 GLN CB C 23 30.345 30.438 -0.093 1
1 196 . 5 1 1 A 23 23 GLN C C 23 173.200 175.544 -2.344 1
1 197 . 5 1 1 A 24 24 TYR N N 24 115.157 116.171 -1.014 1
1 198 . 5 1 1 A 24 24 TYR H H 24 7.696 7.543 0.153 1
1 199 . 5 1 1 A 24 24 TYR CA C 24 55.303 56.824 -1.521 1
1 200 . 5 1 1 A 24 24 TYR HA H 24 4.847 5.265 -0.418 1
1 201 . 5 1 1 A 24 24 TYR CB C 24 43.087 41.588 1.499 1
1 212 . 5 1 1 A 24 24 TYR C C 24 173.829 176.141 -2.312 1
1 213 . 5 1 1 A 25 25 THR N N 25 118.997 119.761 -0.764 1
1 214 . 5 1 1 A 25 25 THR H H 25 8.697 8.872 -0.175 1
1 215 . 5 1 1 A 25 25 THR CA C 25 63.201 64.350 -1.149 1
1 216 . 5 1 1 A 25 25 THR HA H 25 4.483 4.441 0.042 1
1 217 . 5 1 1 A 25 25 THR CB C 25 70.228 68.766 1.462 1
1 223 . 5 1 1 A 25 25 THR C C 25 173.214 174.275 -1.061 1
1 224 . 5 1 1 A 26 26 PHE N N 26 129.691 127.950 1.741 1
1 225 . 5 1 1 A 26 26 PHE H H 26 8.460 8.597 -0.137 1
1 226 . 5 1 1 A 26 26 PHE CA C 26 55.887 57.249 -1.362 1
1 227 . 5 1 1 A 26 26 PHE HA H 26 4.631 5.110 -0.479 1
1 228 . 5 1 1 A 26 26 PHE CB C 26 42.134 41.319 0.815 1
1 241 . 5 1 1 A 26 26 PHE C C 26 173.089 173.977 -0.888 1
1 242 . 5 1 1 A 27 27 LYS N N 27 129.755 126.120 3.635 1
1 243 . 5 1 1 A 27 27 LYS H H 27 7.879 7.640 0.239 1
1 244 . 5 1 1 A 27 27 LYS CA C 27 54.562 54.276 0.286 1
1 245 . 5 1 1 A 27 27 LYS HA H 27 4.023 4.649 -0.626 1
1 246 . 5 1 1 A 27 27 LYS CB C 27 32.490 35.102 -2.612 1
1 258 . 5 1 1 A 27 27 LYS C C 27 174.852 174.537 0.315 1
1 259 . 5 1 1 A 28 28 GLY N N 28 113.171 115.007 -1.836 1
1 260 . 5 1 1 A 28 28 GLY H H 28 7.726 8.827 -1.101 1
1 261 . 5 1 1 A 28 28 GLY CA C 28 45.922 45.380 0.542 1
1 262 . 5 1 1 A 28 28 GLY HA2 H 28 3.151 3.977 -0.826 1
1 263 . 5 1 1 A 28 28 GLY HA3 H 28 3.619 4.123 -0.504 1
1 264 . 5 1 1 A 28 28 GLY C C 28 173.250 173.817 -0.567 1
1 265 . 5 1 1 A 29 29 ASP N N 29 121.578 125.517 -3.939 1
1 266 . 5 1 1 A 29 29 ASP H H 29 8.743 8.633 0.110 1
1 267 . 5 1 1 A 29 29 ASP CA C 29 55.162 56.385 -1.223 1
1 268 . 5 1 1 A 29 29 ASP HA H 29 4.616 4.437 0.179 1
1 269 . 5 1 1 A 29 29 ASP CB C 29 42.815 40.920 1.895 1
1 272 . 5 1 1 A 29 29 ASP C C 29 176.583 176.436 0.147 1
1 273 . 5 1 1 A 30 30 LEU N N 30 119.139 119.681 -0.542 1
1 274 . 5 1 1 A 30 30 LEU H H 30 8.069 7.725 0.344 1
1 275 . 5 1 1 A 30 30 LEU CA C 30 54.174 54.397 -0.223 1
1 276 . 5 1 1 A 30 30 LEU HA H 30 4.585 4.337 0.248 1
1 277 . 5 1 1 A 30 30 LEU CB C 30 44.109 42.063 2.046 1
1 290 . 5 1 1 A 30 30 LEU C C 30 179.241 177.630 1.611 1
1 291 . 5 1 1 A 31 31 GLU N N 31 122.182 121.516 0.666 1
1 292 . 5 1 1 A 31 31 GLU H H 31 8.905 8.746 0.159 1
1 293 . 5 1 1 A 31 31 GLU CA C 31 59.392 59.102 0.290 1
1 294 . 5 1 1 A 31 31 GLU HA H 31 4.151 4.024 0.127 1
1 295 . 5 1 1 A 31 31 GLU CB C 31 29.605 30.120 -0.515 1
1 301 . 5 1 1 A 31 31 GLU C C 31 177.520 179.348 -1.828 1
1 302 . 5 1 1 A 32 32 VAL N N 32 108.281 116.234 -7.953 1
1 303 . 5 1 1 A 32 32 VAL H H 32 7.186 7.951 -0.765 1
1 304 . 5 1 1 A 32 32 VAL CA C 32 61.950 64.816 -2.866 1
1 305 . 5 1 1 A 32 32 VAL HA H 32 4.365 4.044 0.321 1
1 306 . 5 1 1 A 32 32 VAL CB C 32 32.222 31.481 0.741 1
1 316 . 5 1 1 A 32 32 VAL C C 32 176.602 176.227 0.375 1
1 317 . 5 1 1 A 33 33 GLU N N 33 120.835 123.172 -2.337 1
1 318 . 5 1 1 A 33 33 GLU H H 33 7.751 7.810 -0.059 1
1 319 . 5 1 1 A 33 33 GLU CA C 33 55.560 55.797 -0.237 1
1 320 . 5 1 1 A 33 33 GLU HA H 33 5.106 4.745 0.361 1
1 321 . 5 1 1 A 33 33 GLU CB C 33 31.354 29.692 1.662 1
1 327 . 5 1 1 A 33 33 GLU C C 33 176.180 175.368 0.812 1
1 328 . 5 1 1 A 34 34 LEU N N 34 126.568 128.818 -2.250 1
1 329 . 5 1 1 A 34 34 LEU H H 34 9.073 9.228 -0.155 1
1 330 . 5 1 1 A 34 34 LEU CA C 34 53.385 54.516 -1.131 1
1 331 . 5 1 1 A 34 34 LEU HA H 34 4.481 4.874 -0.393 1
1 332 . 5 1 1 A 34 34 LEU CB C 34 44.305 43.742 0.563 1
1 345 . 5 1 1 A 34 34 LEU C C 34 173.373 176.327 -2.954 1
1 346 . 5 1 1 A 35 35 SER N N 35 116.987 119.775 -2.788 1
1 347 . 5 1 1 A 35 35 SER H H 35 7.561 8.613 -1.052 1
1 348 . 5 1 1 A 35 35 SER CA C 35 58.335 57.001 1.334 1
1 349 . 5 1 1 A 35 35 SER HA H 35 4.569 4.862 -0.293 1
1 350 . 5 1 1 A 35 35 SER CB C 35 64.536 64.988 -0.452 1
1 353 . 5 1 1 A 35 35 SER C C 35 174.513 173.952 0.561 1
1 354 . 5 1 1 A 36 36 PHE N N 36 117.028 117.080 -0.052 1
1 355 . 5 1 1 A 36 36 PHE H H 36 8.339 8.323 0.016 1
1 356 . 5 1 1 A 36 36 PHE CA C 36 55.938 56.149 -0.211 1
1 357 . 5 1 1 A 36 36 PHE HA H 36 4.647 5.139 -0.492 1
1 358 . 5 1 1 A 36 36 PHE CB C 36 39.959 40.632 -0.673 1
1 371 . 5 1 1 A 36 36 PHE C C 36 174.055 172.520 1.535 1
1 372 . 5 1 1 A 37 37 ARG N N 37 120.296 119.939 0.357 1
1 373 . 5 1 1 A 37 37 ARG H H 37 9.859 8.678 1.181 1
1 374 . 5 1 1 A 37 37 ARG CA C 37 53.915 54.544 -0.629 1
1 375 . 5 1 1 A 37 37 ARG HA H 37 4.929 5.023 -0.094 1
1 376 . 5 1 1 A 37 37 ARG CB C 37 32.735 32.685 0.050 1
1 385 . 5 1 1 A 37 37 ARG C C 37 175.793 175.793 0.000 1
1 386 . 5 1 1 A 38 38 LYS N N 38 121.649 124.197 -2.548 1
1 387 . 5 1 1 A 38 38 LYS H H 38 7.938 8.708 -0.770 1
1 388 . 5 1 1 A 38 38 LYS CA C 38 58.880 58.229 0.651 1
1 389 . 5 1 1 A 38 38 LYS HA H 38 3.291 3.924 -0.633 1
1 390 . 5 1 1 A 38 38 LYS CB C 38 32.755 32.126 0.629 1
1 402 . 5 1 1 A 38 38 LYS C C 38 176.459 177.334 -0.875 1
1 403 . 5 1 1 A 39 39 GLY N N 39 114.431 114.973 -0.542 1
1 404 . 5 1 1 A 39 39 GLY H H 39 8.618 9.250 -0.632 1
1 405 . 5 1 1 A 39 39 GLY CA C 39 44.652 45.038 -0.386 1
1 406 . 5 1 1 A 39 39 GLY HA2 H 39 3.438 3.983 -0.545 1
1 407 . 5 1 1 A 39 39 GLY HA3 H 39 4.399 3.993 0.406 1
1 408 . 5 1 1 A 39 39 GLY C C 39 174.586 174.366 0.220 1
1 409 . 5 1 1 A 40 40 GLU N N 40 119.554 121.050 -1.496 1
1 410 . 5 1 1 A 40 40 GLU H H 40 7.931 8.054 -0.123 1
1 411 . 5 1 1 A 40 40 GLU CA C 40 59.197 56.447 2.750 1
1 412 . 5 1 1 A 40 40 GLU HA H 40 4.272 4.321 -0.049 1
1 413 . 5 1 1 A 40 40 GLU CB C 40 30.759 30.782 -0.023 1
1 419 . 5 1 1 A 40 40 GLU C C 40 175.278 175.381 -0.103 1
1 420 . 5 1 1 A 41 41 HIS N N 41 121.677 120.293 1.384 1
1 421 . 5 1 1 A 41 41 HIS H H 41 8.837 9.166 -0.329 1
1 422 . 5 1 1 A 41 41 HIS CA C 41 56.432 54.466 1.966 1
1 423 . 5 1 1 A 41 41 HIS HA H 41 4.817 5.173 -0.356 1
1 424 . 5 1 1 A 41 41 HIS CB C 41 30.260 30.747 -0.487 1
1 431 . 5 1 1 A 41 41 HIS C C 41 174.622 174.219 0.403 1
1 432 . 5 1 1 A 42 42 ILE N N 42 123.889 125.532 -1.643 1
1 433 . 5 1 1 A 42 42 ILE H H 42 8.753 8.521 0.232 1
1 434 . 5 1 1 A 42 42 ILE CA C 42 60.433 60.187 0.246 1
1 435 . 5 1 1 A 42 42 ILE HA H 42 4.079 4.478 -0.399 1
1 436 . 5 1 1 A 42 42 ILE CB C 42 42.258 38.631 3.627 1
1 449 . 5 1 1 A 42 42 ILE C C 42 174.377 174.947 -0.570 1
1 450 . 5 1 1 A 43 43 CYS N N 43 127.431 127.951 -0.520 1
1 451 . 5 1 1 A 43 43 CYS H H 43 8.877 8.901 -0.024 1
1 452 . 5 1 1 A 43 43 CYS CA C 43 57.909 59.229 -1.320 1
1 453 . 5 1 1 A 43 43 CYS HA H 43 4.654 4.632 0.022 1
1 454 . 5 1 1 A 43 43 CYS CB C 43 26.650 28.160 -1.510 1
1 457 . 5 1 1 A 43 43 CYS C C 43 174.875 173.757 1.118 1
1 458 . 5 1 1 A 44 44 LEU N N 44 126.732 129.471 -2.739 1
1 459 . 5 1 1 A 44 44 LEU H H 44 7.724 8.347 -0.623 1
1 460 . 5 1 1 A 44 44 LEU CA C 44 53.741 54.689 -0.948 1
1 461 . 5 1 1 A 44 44 LEU HA H 44 4.546 4.391 0.155 1
1 462 . 5 1 1 A 44 44 LEU CB C 44 43.286 40.734 2.552 1
1 475 . 5 1 1 A 44 44 LEU C C 44 175.004 176.419 -1.415 1
1 476 . 5 1 1 A 45 45 ILE N N 45 125.519 127.384 -1.865 1
1 477 . 5 1 1 A 45 45 ILE H H 45 9.058 8.642 0.416 1
1 478 . 5 1 1 A 45 45 ILE CA C 45 63.488 64.199 -0.711 1
1 479 . 5 1 1 A 45 45 ILE HA H 45 4.121 4.220 -0.099 1
1 480 . 5 1 1 A 45 45 ILE CB C 45 39.808 38.156 1.652 1
1 493 . 5 1 1 A 46 46 ARG N N 46 105.448 115.065 -9.617 1
1 494 . 5 1 1 A 46 46 ARG H H 46 7.377 7.244 0.133 1
1 495 . 5 1 1 A 46 46 ARG CA C 46 54.848 54.797 0.051 1
1 496 . 5 1 1 A 46 46 ARG HA H 46 4.576 4.679 -0.103 1
1 497 . 5 1 1 A 46 46 ARG CB C 46 32.078 33.199 -1.121 1
1 508 . 5 1 1 A 46 46 ARG C C 46 174.353 173.892 0.461 1
1 509 . 5 1 1 A 47 47 LYS N N 47 124.397 124.183 0.214 1
1 510 . 5 1 1 A 47 47 LYS H H 47 9.254 8.763 0.491 1
1 511 . 5 1 1 A 47 47 LYS CA C 47 56.832 56.609 0.223 1
1 512 . 5 1 1 A 47 47 LYS HA H 47 4.353 4.579 -0.226 1
1 513 . 5 1 1 A 47 47 LYS CB C 47 32.868 32.477 0.391 1
1 525 . 5 1 1 A 47 47 LYS C C 47 176.540 176.477 0.063 1
1 526 . 5 1 1 A 48 48 VAL N N 48 126.203 127.640 -1.437 1
1 527 . 5 1 1 A 48 48 VAL H H 48 8.289 8.794 -0.505 1
1 528 . 5 1 1 A 48 48 VAL CA C 48 63.966 64.124 -0.158 1
1 529 . 5 1 1 A 48 48 VAL HA H 48 3.784 4.102 -0.318 1
1 530 . 5 1 1 A 48 48 VAL CB C 48 33.030 33.157 -0.127 1
1 540 . 5 1 1 A 48 48 VAL C C 48 175.547 175.212 0.335 1
1 541 . 5 1 1 A 49 49 ASN N N 49 115.717 116.586 -0.869 1
1 542 . 5 1 1 A 49 49 ASN H H 49 8.167 7.384 0.783 1
1 543 . 5 1 1 A 49 49 ASN CA C 49 52.768 51.828 0.940 1
1 544 . 5 1 1 A 49 49 ASN HA H 49 4.428 5.074 -0.646 1
1 545 . 5 1 1 A 49 49 ASN CB C 49 37.683 42.469 -4.786 1
1 551 . 5 1 1 A 49 49 ASN C C 49 174.537 175.418 -0.881 1
1 552 . 5 1 1 A 50 50 GLU N N 50 114.361 121.253 -6.892 1
1 553 . 5 1 1 A 50 50 GLU H H 50 8.781 8.971 -0.190 1
1 554 . 5 1 1 A 50 50 GLU CA C 50 59.835 58.388 1.447 1
1 555 . 5 1 1 A 50 50 GLU HA H 50 3.947 3.982 -0.035 1
1 556 . 5 1 1 A 50 50 GLU CB C 50 29.534 28.890 0.644 1
1 562 . 5 1 1 A 50 50 GLU C C 50 176.796 176.548 0.248 1
1 563 . 5 1 1 A 51 51 ASN N N 51 112.673 116.304 -3.631 1
1 564 . 5 1 1 A 51 51 ASN H H 51 8.535 7.644 0.891 1
1 565 . 5 1 1 A 51 51 ASN CA C 51 53.328 54.206 -0.878 1
1 566 . 5 1 1 A 51 51 ASN HA H 51 4.968 4.678 0.290 1
1 567 . 5 1 1 A 51 51 ASN CB C 51 41.171 40.858 0.313 1
1 573 . 5 1 1 A 51 51 ASN C C 51 174.756 175.087 -0.331 1
1 574 . 5 1 1 A 52 52 TRP N N 52 121.399 117.728 3.671 1
1 575 . 5 1 1 A 52 52 TRP H H 52 7.726 7.721 0.005 1
1 576 . 5 1 1 A 52 52 TRP CA C 52 57.485 57.093 0.392 1
1 577 . 5 1 1 A 52 52 TRP HA H 52 5.072 4.724 0.348 1
1 578 . 5 1 1 A 52 52 TRP CB C 52 31.703 30.549 1.154 1
1 593 . 5 1 1 A 52 52 TRP C C 52 174.756 176.066 -1.310 1
1 594 . 5 1 1 A 53 53 TYR N N 53 118.564 120.355 -1.791 1
1 595 . 5 1 1 A 53 53 TYR H H 53 8.443 9.005 -0.562 1
1 596 . 5 1 1 A 53 53 TYR CA C 53 57.305 55.502 1.803 1
1 597 . 5 1 1 A 53 53 TYR HA H 53 4.978 4.993 -0.015 1
1 598 . 5 1 1 A 53 53 TYR CB C 53 44.030 41.513 2.517 1
1 609 . 5 1 1 A 53 53 TYR C C 53 174.045 173.837 0.208 1
1 610 . 5 1 1 A 54 54 GLU N N 54 117.557 124.477 -6.920 1
1 611 . 5 1 1 A 54 54 GLU H H 54 8.906 8.545 0.361 1
1 612 . 5 1 1 A 54 54 GLU CA C 54 54.986 55.095 -0.109 1
1 613 . 5 1 1 A 54 54 GLU HA H 54 5.059 5.372 -0.313 1
1 614 . 5 1 1 A 54 54 GLU CB C 54 32.458 32.174 0.284 1
1 620 . 5 1 1 A 54 54 GLU C C 54 176.438 175.800 0.638 1
1 621 . 5 1 1 A 55 55 GLY N N 55 114.051 113.385 0.666 1
1 622 . 5 1 1 A 55 55 GLY H H 55 9.556 8.726 0.830 1
1 623 . 5 1 1 A 55 55 GLY CA C 55 45.816 45.893 -0.077 1
1 624 . 5 1 1 A 55 55 GLY HA2 H 55 5.166 4.448 0.718 1
1 625 . 5 1 1 A 55 55 GLY HA3 H 55 3.929 4.557 -0.628 1
1 626 . 5 1 1 A 55 55 GLY C C 55 169.584 172.481 -2.897 1
1 627 . 5 1 1 A 56 56 ARG N N 56 116.523 118.890 -2.367 1
1 628 . 5 1 1 A 56 56 ARG H H 56 9.093 8.857 0.236 1
1 629 . 5 1 1 A 56 56 ARG CA C 56 53.977 54.505 -0.528 1
1 630 . 5 1 1 A 56 56 ARG HA H 56 5.528 5.182 0.346 1
1 631 . 5 1 1 A 56 56 ARG CB C 56 34.963 34.267 0.696 1
1 640 . 5 1 1 A 56 56 ARG C C 56 174.325 173.957 0.368 1
1 641 . 5 1 1 A 57 57 ILE N N 57 123.690 123.475 0.215 1
1 642 . 5 1 1 A 57 57 ILE H H 57 8.230 9.036 -0.806 1
1 643 . 5 1 1 A 57 57 ILE CA C 57 59.706 60.849 -1.143 1
1 644 . 5 1 1 A 57 57 ILE HA H 57 4.585 4.526 0.059 1
1 645 . 5 1 1 A 57 57 ILE CB C 57 35.623 37.758 -2.135 1
1 658 . 5 1 1 A 57 57 ILE C C 57 177.239 175.780 1.459 1
1 659 . 5 1 1 A 58 58 THR N N 58 112.797 123.481 -10.684 1
1 660 . 5 1 1 A 58 58 THR H H 58 8.805 8.593 0.212 1
1 661 . 5 1 1 A 58 58 THR CA C 58 65.598 63.702 1.896 1
1 662 . 5 1 1 A 58 58 THR HA H 58 3.857 4.083 -0.226 1
1 663 . 5 1 1 A 58 58 THR CB C 58 68.553 68.580 -0.027 1
1 669 . 5 1 1 A 59 59 GLY CA C 59 45.463 45.109 0.354 1
1 670 . 5 1 1 A 59 59 GLY HA2 H 59 3.834 4.021 -0.187 1
1 671 . 5 1 1 A 59 59 GLY HA3 H 59 4.266 4.022 0.244 1
1 672 . 5 1 1 A 59 59 GLY C C 59 174.543 173.898 0.645 1
1 673 . 5 1 1 A 60 60 THR N N 60 108.632 111.807 -3.175 1
1 674 . 5 1 1 A 60 60 THR H H 60 7.779 7.906 -0.127 1
1 675 . 5 1 1 A 60 60 THR CA C 60 61.017 59.955 1.062 1
1 676 . 5 1 1 A 60 60 THR HA H 60 4.892 4.804 0.088 1
1 677 . 5 1 1 A 60 60 THR CB C 60 72.426 71.702 0.724 1
1 683 . 5 1 1 A 60 60 THR C C 60 175.144 174.728 0.416 1
1 684 . 5 1 1 A 61 61 GLY CA C 61 45.320 46.025 -0.705 1
1 685 . 5 1 1 A 61 61 GLY HA2 H 61 3.930 3.827 0.103 1
1 686 . 5 1 1 A 61 61 GLY HA3 H 61 4.183 3.829 0.354 1
1 687 . 5 1 1 A 61 61 GLY C C 61 174.641 174.015 0.626 1
1 688 . 5 1 1 A 62 62 ARG N N 62 121.575 118.835 2.740 1
1 689 . 5 1 1 A 62 62 ARG H H 62 8.229 7.576 0.653 1
1 690 . 5 1 1 A 62 62 ARG CA C 62 56.440 55.746 0.694 1
1 691 . 5 1 1 A 62 62 ARG HA H 62 4.380 4.704 -0.324 1
1 692 . 5 1 1 A 62 62 ARG CB C 62 30.667 32.157 -1.490 1
1 701 . 5 1 1 A 62 62 ARG C C 62 174.530 175.699 -1.169 1
1 702 . 5 1 1 A 63 63 GLN N N 63 124.206 123.304 0.902 1
1 703 . 5 1 1 A 63 63 GLN H H 63 8.473 8.684 -0.211 1
1 704 . 5 1 1 A 63 63 GLN CA C 63 54.768 55.572 -0.804 1
1 705 . 5 1 1 A 63 63 GLN HA H 63 5.449 4.929 0.520 1
1 706 . 5 1 1 A 63 63 GLN CB C 63 32.243 31.986 0.257 1
1 715 . 5 1 1 A 63 63 GLN C C 63 174.555 174.817 -0.262 1
1 716 . 5 1 1 A 64 64 GLY N N 64 111.132 111.880 -0.748 1
1 717 . 5 1 1 A 64 64 GLY H H 64 8.962 8.584 0.378 1
1 718 . 5 1 1 A 64 64 GLY CA C 64 45.780 46.260 -0.480 1
1 719 . 5 1 1 A 64 64 GLY HA2 H 64 4.498 4.405 0.093 1
1 720 . 5 1 1 A 64 64 GLY HA3 H 64 4.351 4.446 -0.095 1
1 721 . 5 1 1 A 64 64 GLY C C 64 172.117 172.485 -0.368 1
1 722 . 5 1 1 A 65 65 ILE N N 65 114.051 118.818 -4.767 1
1 723 . 5 1 1 A 65 65 ILE H H 65 8.824 9.107 -0.283 1
1 724 . 5 1 1 A 65 65 ILE CA C 65 59.949 58.834 1.115 1
1 725 . 5 1 1 A 65 65 ILE HA H 65 6.195 5.439 0.756 1
1 726 . 5 1 1 A 65 65 ILE CB C 65 41.669 41.372 0.297 1
1 739 . 5 1 1 A 65 65 ILE C C 65 176.874 175.281 1.593 1
1 740 . 5 1 1 A 66 66 PHE N N 66 116.902 118.586 -1.684 1
1 741 . 5 1 1 A 66 66 PHE H H 66 8.770 8.613 0.157 1
1 742 . 5 1 1 A 66 66 PHE CA C 66 56.114 55.511 0.603 1
1 743 . 5 1 1 A 66 66 PHE HA H 66 4.952 5.137 -0.185 1
1 744 . 5 1 1 A 66 66 PHE CB C 66 38.504 39.688 -1.184 1
1 757 . 5 1 1 A 66 66 PHE C C 66 170.992 171.540 -0.548 1
1 758 . 5 1 1 A 67 67 PRO CA C 67 61.161 62.199 -1.038 1
1 759 . 5 1 1 A 67 67 PRO HA H 67 3.678 4.221 -0.543 1
1 760 . 5 1 1 A 67 67 PRO CB C 67 30.788 31.202 -0.414 1
1 769 . 5 1 1 A 67 67 PRO C C 67 177.819 177.697 0.122 1
1 770 . 5 1 1 A 68 68 ALA N N 68 126.195 128.911 -2.716 1
1 771 . 5 1 1 A 68 68 ALA H H 68 8.458 8.464 -0.006 1
1 772 . 5 1 1 A 68 68 ALA CA C 68 54.676 55.456 -0.780 1
1 773 . 5 1 1 A 68 68 ALA HA H 68 4.008 4.216 -0.208 1
1 774 . 5 1 1 A 68 68 ALA CB C 68 18.986 18.562 0.424 1
1 778 . 5 1 1 A 68 68 ALA C C 68 178.933 179.681 -0.748 1
1 779 . 5 1 1 A 69 69 SER N N 69 110.156 112.844 -2.688 1
1 780 . 5 1 1 A 69 69 SER H H 69 8.370 8.381 -0.011 1
1 781 . 5 1 1 A 69 69 SER CA C 69 60.250 61.379 -1.129 1
1 782 . 5 1 1 A 69 69 SER HA H 69 4.265 4.105 0.160 1
1 783 . 5 1 1 A 69 69 SER CB C 69 62.718 63.018 -0.300 1
1 786 . 5 1 1 A 69 69 SER C C 69 175.748 176.678 -0.930 1
1 787 . 5 1 1 A 70 70 TYR N N 70 119.475 119.920 -0.445 1
1 788 . 5 1 1 A 70 70 TYR H H 70 7.728 7.642 0.086 1
1 789 . 5 1 1 A 70 70 TYR CA C 70 60.061 60.318 -0.257 1
1 790 . 5 1 1 A 70 70 TYR HA H 70 4.620 4.492 0.128 1
1 791 . 5 1 1 A 70 70 TYR CB C 70 39.039 38.123 0.916 1
1 802 . 5 1 1 A 70 70 TYR C C 70 176.140 176.376 -0.236 1
1 803 . 5 1 1 A 71 71 VAL N N 71 110.320 116.876 -6.556 1
1 804 . 5 1 1 A 71 71 VAL H H 71 8.064 7.843 0.221 1
1 805 . 5 1 1 A 71 71 VAL CA C 71 58.737 60.123 -1.386 1
1 806 . 5 1 1 A 71 71 VAL HA H 71 5.073 4.514 0.559 1
1 807 . 5 1 1 A 71 71 VAL CB C 71 35.550 33.990 1.560 1
1 817 . 5 1 1 A 71 71 VAL C C 71 173.044 174.433 -1.389 1
1 818 . 5 1 1 A 72 72 GLN N N 72 119.621 122.180 -2.559 1
1 819 . 5 1 1 A 72 72 GLN H H 72 8.448 8.807 -0.359 1
1 820 . 5 1 1 A 72 72 GLN CA C 72 54.351 54.513 -0.162 1
1 821 . 5 1 1 A 72 72 GLN HA H 72 4.724 4.658 0.066 1
1 822 . 5 1 1 A 72 72 GLN CB C 72 30.373 31.355 -0.982 1
1 831 . 5 1 1 A 72 72 GLN C C 72 176.050 174.651 1.399 1
1 832 . 5 1 1 A 73 73 VAL N N 73 130.439 127.830 2.609 1
1 833 . 5 1 1 A 73 73 VAL H H 73 9.369 8.885 0.484 1
1 834 . 5 1 1 A 73 73 VAL CA C 73 63.957 62.852 1.105 1
1 835 . 5 1 1 A 73 73 VAL HA H 73 3.856 4.009 -0.153 1
1 836 . 5 1 1 A 73 73 VAL CB C 73 32.616 31.187 1.429 1
1 846 . 5 1 1 A 73 73 VAL C C 73 176.043 176.002 0.041 1
1 847 . 5 1 1 A 74 74 SER N N 74 123.766 123.078 0.688 1
1 848 . 5 1 1 A 74 74 SER H H 74 8.708 8.696 0.012 1
1 849 . 5 1 1 A 74 74 SER CA C 74 58.930 59.675 -0.745 1
1 850 . 5 1 1 A 74 74 SER HA H 74 4.627 4.499 0.128 1
1 851 . 5 1 1 A 74 74 SER CB C 74 63.548 64.756 -1.208 1
1 854 . 5 1 1 A 74 74 SER C C 74 174.821 173.814 1.007 1
1 855 . 5 1 1 A 75 75 ARG N N 75 122.335 119.377 2.958 1
1 856 . 5 1 1 A 75 75 ARG H H 75 7.690 7.296 0.394 1
1 857 . 5 1 1 A 75 75 ARG CA C 75 56.185 55.442 0.743 1
1 858 . 5 1 1 A 75 75 ARG HA H 75 4.526 4.775 -0.249 1
1 859 . 5 1 1 A 75 75 ARG CB C 75 33.734 33.059 0.675 1
1 868 . 5 1 1 A 75 75 ARG C C 75 174.824 174.307 0.517 1
1 869 . 5 1 1 A 76 76 GLU N N 76 126.797 126.885 -0.088 1
1 870 . 5 1 1 A 76 76 GLU H H 76 8.916 8.479 0.437 1
1 871 . 5 1 1 A 76 76 GLU CA C 76 54.874 54.906 -0.032 1
1 872 . 5 1 1 A 76 76 GLU HA H 76 4.561 4.465 0.096 1
1 873 . 5 1 1 A 76 76 GLU CB C 76 28.925 29.206 -0.281 1
1 879 . 5 1 1 A 76 76 GLU C C 76 175.557 174.619 0.938 1
1 880 . 5 1 1 A 77 77 PRO CA C 77 62.726 62.777 -0.051 1
1 881 . 5 1 1 A 77 77 PRO HA H 77 4.584 4.636 -0.052 1
1 882 . 5 1 1 A 77 77 PRO CB C 77 32.153 33.257 -1.104 1
1 891 . 5 1 1 A 78 78 ARG N N 78 120.959 122.876 -1.917 1
1 892 . 5 1 1 A 78 78 ARG H H 78 8.814 8.966 -0.152 1
1 893 . 5 1 1 A 78 78 ARG CA C 78 55.491 55.413 0.078 1
1 894 . 5 1 1 A 78 78 ARG HA H 78 4.743 4.727 0.016 1
1 895 . 5 1 1 A 78 78 ARG CB C 78 33.443 33.486 -0.043 1
1 904 . 5 1 1 A 79 79 LEU N N 79 125.756 126.866 -1.110 1
1 905 . 5 1 1 A 79 79 LEU H H 79 8.789 9.084 -0.295 1
1 906 . 5 1 1 A 79 79 LEU CA C 79 54.346 53.414 0.932 1
1 907 . 5 1 1 A 79 79 LEU HA H 79 5.007 4.889 0.118 1
1 908 . 5 1 1 A 79 79 LEU CB C 79 44.609 43.845 0.764 1
1 917 . 5 1 1 A 80 80 ARG N N 80 121.792 125.532 -3.740 1
1 918 . 5 1 1 A 80 80 ARG H H 80 8.908 8.646 0.262 1
1 919 . 5 1 1 A 80 80 ARG CA C 80 54.966 56.228 -1.262 1
1 920 . 5 1 1 A 80 80 ARG HA H 80 4.611 4.276 0.335 1
1 921 . 5 1 1 A 80 80 ARG CB C 80 32.686 29.278 3.408 1
1 924 . 5 1 1 A 81 81 LEU N N 81 126.556 120.486 6.070 1
1 925 . 5 1 1 A 81 81 LEU H H 81 8.702 8.465 0.237 1
1 926 . 5 1 1 A 81 81 LEU CA C 81 55.199 55.376 -0.177 1
1 927 . 5 1 1 A 81 81 LEU HA H 81 4.472 4.391 0.081 1
1 928 . 5 1 1 A 81 81 LEU CB C 81 42.368 41.242 1.126 1
1 941 . 5 1 1 A 82 82 CYS N N 82 121.583 117.845 3.738 1
1 942 . 5 1 1 A 82 82 CYS H H 82 8.466 7.619 0.847 1
1 943 . 5 1 1 A 82 82 CYS CA C 82 58.583 57.446 1.137 1
1 944 . 5 1 1 A 82 82 CYS HA H 82 4.475 4.910 -0.435 1
1 945 . 5 1 1 A 82 82 CYS CB C 82 28.438 30.578 -2.140 1
1 948 . 5 1 1 A 83 83 ASP N N 83 122.639 124.273 -1.634 1
1 949 . 5 1 1 A 83 83 ASP H H 83 8.400 8.506 -0.106 1
1 950 . 5 1 1 A 83 83 ASP CA C 83 54.210 56.130 -1.920 1
1 951 . 5 1 1 A 83 83 ASP HA H 83 4.654 4.755 -0.101 1
1 952 . 5 1 1 A 83 83 ASP CB C 83 41.291 42.516 -1.225 1
1 955 . 5 1 1 A 83 83 ASP C C 83 175.900 175.923 -0.023 1
1 956 . 5 1 1 A 84 84 ASP N N 84 121.113 119.795 1.318 1
1 957 . 5 1 1 A 84 84 ASP H H 84 8.310 7.784 0.526 1
1 958 . 5 1 1 A 84 84 ASP CA C 84 54.330 53.306 1.024 1
1 959 . 5 1 1 A 84 84 ASP HA H 84 4.650 4.849 -0.199 1
1 960 . 5 1 1 A 84 84 ASP CB C 84 41.283 41.267 0.016 1
1 963 . 5 1 1 A 84 84 ASP C C 84 176.407 175.235 1.172 1
1 964 . 5 1 1 A 85 85 SER N N 85 116.212 123.272 -7.060 1
1 965 . 5 1 1 A 85 85 SER H H 85 8.332 8.819 -0.487 1
1 966 . 5 1 1 A 85 85 SER CA C 85 58.819 59.283 -0.464 1
1 967 . 5 1 1 A 85 85 SER HA H 85 4.438 4.436 0.002 1
1 968 . 5 1 1 A 85 85 SER CB C 85 63.961 63.724 0.237 1
1 971 . 5 1 1 A 85 85 SER C C 85 174.867 174.093 0.774 1
1 972 . 5 1 1 A 86 86 GLY N N 86 110.652 112.119 -1.467 1
1 973 . 5 1 1 A 86 86 GLY H H 86 8.251 8.542 -0.291 1
1 974 . 5 1 1 A 86 86 GLY CA C 86 44.758 44.389 0.369 1
1 975 . 5 1 1 A 86 86 GLY HA2 H 86 4.109 4.193 -0.084 1
1 976 . 5 1 1 A 86 86 GLY HA3 H 86 4.109 4.193 -0.084 1
1 977 . 5 1 1 A 86 86 GLY C C 86 171.914 173.976 -2.062 1
1 978 . 5 1 1 A 87 87 PRO CA C 87 63.192 63.362 -0.170 1
1 979 . 5 1 1 A 87 87 PRO HA H 87 4.484 4.524 -0.040 1
1 980 . 5 1 1 A 87 87 PRO CB C 87 32.243 31.864 0.379 1
1 989 . 5 1 1 A 87 87 PRO C C 87 177.470 177.701 -0.231 1
1 990 . 5 1 1 A 88 88 SER N N 88 116.433 114.789 1.644 1
1 991 . 5 1 1 A 88 88 SER H H 88 8.518 8.159 0.359 1
1 992 . 5 1 1 A 88 88 SER CA C 88 58.330 59.020 -0.690 1
1 993 . 5 1 1 A 88 88 SER HA H 88 4.571 4.141 0.430 1
1 994 . 5 1 1 A 88 88 SER CB C 88 63.896 60.869 3.027 1
1 997 . 5 1 1 A 88 88 SER C C 88 174.747 173.281 1.466 1
1 998 . 5 1 1 A 89 89 SER N N 89 117.882 115.948 1.934 1
1 999 . 5 1 1 A 89 89 SER H H 89 8.335 7.798 0.537 1
1 1000 . 5 1 1 A 89 89 SER CA C 89 58.497 56.884 1.613 1
1 1001 . 5 1 1 A 89 89 SER CB C 89 64.209 64.949 -0.740 1
1 1004 . 5 1 1 A 89 89 SER C C 89 174.100 172.936 1.164 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.146 47.359 -2.213 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.966 3.855 0.111 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.966 3.857 0.109 1
1 4 . 6 1 1 A 7 7 GLY C C 7 173.687 173.435 0.252 1
1 5 . 6 1 1 A 8 8 LYS N N 8 122.140 121.462 0.678 1
1 6 . 6 1 1 A 8 8 LYS H H 8 8.107 8.186 -0.079 1
1 7 . 6 1 1 A 8 8 LYS CA C 8 54.053 53.477 0.576 1
1 8 . 6 1 1 A 8 8 LYS HA H 8 4.620 5.099 -0.479 1
1 9 . 6 1 1 A 8 8 LYS CB C 8 32.649 35.807 -3.158 1
1 21 . 6 1 1 A 8 8 LYS C C 8 174.270 174.217 0.053 1
1 22 . 6 1 1 A 9 9 PRO CA C 9 61.632 61.637 -0.005 1
1 23 . 6 1 1 A 9 9 PRO HA H 9 4.687 4.726 -0.039 1
1 24 . 6 1 1 A 9 9 PRO CB C 9 30.855 31.848 -0.993 1
1 33 . 6 1 1 A 10 10 PRO CA C 10 62.942 62.663 0.279 1
1 34 . 6 1 1 A 10 10 PRO HA H 10 4.473 4.732 -0.259 1
1 35 . 6 1 1 A 10 10 PRO CB C 10 32.197 30.934 1.263 1
1 44 . 6 1 1 A 11 11 THR N N 11 128.434 115.021 13.413 1
1 45 . 6 1 1 A 11 11 THR H H 11 8.172 8.723 -0.551 1
1 46 . 6 1 1 A 11 11 THR CA C 11 61.644 63.238 -1.594 1
1 47 . 6 1 1 A 11 11 THR HA H 11 4.357 4.536 -0.179 1
1 48 . 6 1 1 A 11 11 THR CB C 11 70.204 70.886 -0.682 1
1 54 . 6 1 1 A 12 12 TYR N N 12 120.312 120.090 0.222 1
1 55 . 6 1 1 A 12 12 TYR H H 12 8.033 7.900 0.133 1
1 56 . 6 1 1 A 12 12 TYR CA C 12 56.633 56.639 -0.006 1
1 57 . 6 1 1 A 12 12 TYR HA H 12 4.967 4.815 0.152 1
1 58 . 6 1 1 A 12 12 TYR CB C 12 40.403 38.648 1.755 1
1 69 . 6 1 1 A 13 13 GLN H H 13 8.634 8.686 -0.052 1
1 70 . 6 1 1 A 13 13 GLN CA C 13 54.519 56.868 -2.349 1
1 71 . 6 1 1 A 13 13 GLN HA H 13 4.626 4.558 0.068 1
1 72 . 6 1 1 A 13 13 GLN CB C 13 31.183 29.738 1.445 1
1 81 . 6 1 1 A 14 14 VAL N N 14 124.270 112.930 11.340 1
1 82 . 6 1 1 A 14 14 VAL H H 14 8.773 7.571 1.202 1
1 83 . 6 1 1 A 14 14 VAL CA C 14 62.977 61.340 1.637 1
1 84 . 6 1 1 A 14 14 VAL HA H 14 4.018 4.337 -0.319 1
1 85 . 6 1 1 A 14 14 VAL CB C 14 32.909 32.287 0.622 1
1 95 . 6 1 1 A 15 15 LEU N N 15 128.403 124.623 3.780 1
1 96 . 6 1 1 A 15 15 LEU H H 15 8.726 8.610 0.116 1
1 97 . 6 1 1 A 15 15 LEU CA C 15 55.620 53.890 1.730 1
1 98 . 6 1 1 A 15 15 LEU HA H 15 4.412 5.211 -0.799 1
1 99 . 6 1 1 A 15 15 LEU CB C 15 42.580 42.218 0.362 1
1 112 . 6 1 1 A 16 16 GLU H H 16 8.687 8.086 0.601 1
1 113 . 6 1 1 A 16 16 GLU CA C 16 55.492 55.409 0.083 1
1 114 . 6 1 1 A 16 16 GLU HA H 16 4.401 4.591 -0.190 1
1 115 . 6 1 1 A 16 16 GLU CB C 16 32.409 29.608 2.801 1
1 120 . 6 1 1 A 17 17 TYR N N 17 124.726 120.828 3.898 1
1 121 . 6 1 1 A 17 17 TYR H H 17 8.505 7.965 0.540 1
1 122 . 6 1 1 A 17 17 TYR CA C 17 58.490 58.329 0.161 1
1 123 . 6 1 1 A 17 17 TYR HA H 17 4.598 4.625 -0.027 1
1 124 . 6 1 1 A 17 17 TYR CB C 17 38.814 39.719 -0.905 1
1 135 . 6 1 1 A 18 18 GLY N N 18 106.652 110.448 -3.796 1
1 136 . 6 1 1 A 18 18 GLY H H 18 9.176 8.401 0.775 1
1 137 . 6 1 1 A 18 18 GLY CA C 18 43.947 44.605 -0.658 1
1 138 . 6 1 1 A 18 18 GLY HA2 H 18 3.646 4.090 -0.444 1
1 139 . 6 1 1 A 18 18 GLY HA3 H 18 4.287 4.094 0.193 1
1 140 . 6 1 1 A 19 19 GLU N N 19 122.571 121.435 1.136 1
1 141 . 6 1 1 A 19 19 GLU H H 19 9.450 8.543 0.907 1
1 142 . 6 1 1 A 19 19 GLU CA C 19 56.496 55.209 1.287 1
1 143 . 6 1 1 A 19 19 GLU HA H 19 5.218 5.283 -0.065 1
1 144 . 6 1 1 A 19 19 GLU CB C 19 34.419 33.279 1.140 1
1 149 . 6 1 1 A 19 19 GLU C C 19 173.496 175.225 -1.729 1
1 150 . 6 1 1 A 20 20 ALA N N 20 125.442 128.064 -2.622 1
1 151 . 6 1 1 A 20 20 ALA H H 20 8.813 8.907 -0.094 1
1 152 . 6 1 1 A 20 20 ALA CA C 20 50.154 50.552 -0.398 1
1 153 . 6 1 1 A 20 20 ALA HA H 20 5.132 5.283 -0.151 1
1 154 . 6 1 1 A 20 20 ALA CB C 20 24.742 23.387 1.355 1
1 158 . 6 1 1 A 20 20 ALA C C 20 174.555 175.069 -0.514 1
1 159 . 6 1 1 A 21 21 VAL N N 21 117.729 119.773 -2.044 1
1 160 . 6 1 1 A 21 21 VAL H H 21 8.118 8.483 -0.365 1
1 161 . 6 1 1 A 21 21 VAL CA C 21 60.211 60.153 0.058 1
1 162 . 6 1 1 A 21 21 VAL HA H 21 4.478 4.348 0.130 1
1 163 . 6 1 1 A 21 21 VAL CB C 21 34.751 34.921 -0.170 1
1 173 . 6 1 1 A 21 21 VAL C C 21 176.351 175.044 1.307 1
1 174 . 6 1 1 A 22 22 ALA N N 22 130.024 129.642 0.382 1
1 175 . 6 1 1 A 22 22 ALA H H 22 8.689 8.236 0.453 1
1 176 . 6 1 1 A 22 22 ALA CA C 22 53.496 52.888 0.608 1
1 177 . 6 1 1 A 22 22 ALA HA H 22 4.170 4.003 0.167 1
1 178 . 6 1 1 A 22 22 ALA CB C 22 20.793 18.859 1.934 1
1 182 . 6 1 1 A 22 22 ALA C C 22 178.156 176.425 1.731 1
1 183 . 6 1 1 A 23 23 GLN N N 23 126.904 122.259 4.645 1
1 184 . 6 1 1 A 23 23 GLN H H 23 9.442 8.452 0.990 1
1 185 . 6 1 1 A 23 23 GLN CA C 23 55.611 56.950 -1.339 1
1 186 . 6 1 1 A 23 23 GLN HA H 23 4.202 4.402 -0.200 1
1 187 . 6 1 1 A 23 23 GLN CB C 23 30.345 30.416 -0.071 1
1 196 . 6 1 1 A 23 23 GLN C C 23 173.200 175.521 -2.321 1
1 197 . 6 1 1 A 24 24 TYR N N 24 115.157 116.368 -1.211 1
1 198 . 6 1 1 A 24 24 TYR H H 24 7.696 7.587 0.109 1
1 199 . 6 1 1 A 24 24 TYR CA C 24 55.303 56.780 -1.477 1
1 200 . 6 1 1 A 24 24 TYR HA H 24 4.847 5.271 -0.424 1
1 201 . 6 1 1 A 24 24 TYR CB C 24 43.087 42.112 0.975 1
1 212 . 6 1 1 A 24 24 TYR C C 24 173.829 176.031 -2.202 1
1 213 . 6 1 1 A 25 25 THR N N 25 118.997 119.320 -0.323 1
1 214 . 6 1 1 A 25 25 THR H H 25 8.697 9.014 -0.317 1
1 215 . 6 1 1 A 25 25 THR CA C 25 63.201 64.019 -0.818 1
1 216 . 6 1 1 A 25 25 THR HA H 25 4.483 4.559 -0.076 1
1 217 . 6 1 1 A 25 25 THR CB C 25 70.228 68.936 1.292 1
1 223 . 6 1 1 A 25 25 THR C C 25 173.214 174.098 -0.884 1
1 224 . 6 1 1 A 26 26 PHE N N 26 129.691 127.939 1.752 1
1 225 . 6 1 1 A 26 26 PHE H H 26 8.460 8.754 -0.294 1
1 226 . 6 1 1 A 26 26 PHE CA C 26 55.887 57.275 -1.388 1
1 227 . 6 1 1 A 26 26 PHE HA H 26 4.631 5.102 -0.471 1
1 228 . 6 1 1 A 26 26 PHE CB C 26 42.134 40.767 1.367 1
1 241 . 6 1 1 A 26 26 PHE C C 26 173.089 174.389 -1.300 1
1 242 . 6 1 1 A 27 27 LYS N N 27 129.755 125.233 4.522 1
1 243 . 6 1 1 A 27 27 LYS H H 27 7.879 7.171 0.708 1
1 244 . 6 1 1 A 27 27 LYS CA C 27 54.562 54.534 0.028 1
1 245 . 6 1 1 A 27 27 LYS HA H 27 4.023 4.631 -0.608 1
1 246 . 6 1 1 A 27 27 LYS CB C 27 32.490 35.439 -2.949 1
1 258 . 6 1 1 A 27 27 LYS C C 27 174.852 174.337 0.515 1
1 259 . 6 1 1 A 28 28 GLY N N 28 113.171 112.742 0.429 1
1 260 . 6 1 1 A 28 28 GLY H H 28 7.726 8.384 -0.658 1
1 261 . 6 1 1 A 28 28 GLY CA C 28 45.922 44.733 1.189 1
1 262 . 6 1 1 A 28 28 GLY HA2 H 28 3.151 4.315 -1.164 1
1 263 . 6 1 1 A 28 28 GLY HA3 H 28 3.619 4.526 -0.907 1
1 264 . 6 1 1 A 28 28 GLY C C 28 173.250 174.029 -0.779 1
1 265 . 6 1 1 A 29 29 ASP N N 29 121.578 121.713 -0.135 1
1 266 . 6 1 1 A 29 29 ASP H H 29 8.743 8.768 -0.025 1
1 267 . 6 1 1 A 29 29 ASP CA C 29 55.162 55.888 -0.726 1
1 268 . 6 1 1 A 29 29 ASP HA H 29 4.616 4.638 -0.022 1
1 269 . 6 1 1 A 29 29 ASP CB C 29 42.815 41.694 1.121 1
1 272 . 6 1 1 A 29 29 ASP C C 29 176.583 176.611 -0.028 1
1 273 . 6 1 1 A 30 30 LEU N N 30 119.139 120.455 -1.316 1
1 274 . 6 1 1 A 30 30 LEU H H 30 8.069 7.697 0.372 1
1 275 . 6 1 1 A 30 30 LEU CA C 30 54.174 55.078 -0.904 1
1 276 . 6 1 1 A 30 30 LEU HA H 30 4.585 4.255 0.330 1
1 277 . 6 1 1 A 30 30 LEU CB C 30 44.109 42.373 1.736 1
1 290 . 6 1 1 A 30 30 LEU C C 30 179.241 177.890 1.351 1
1 291 . 6 1 1 A 31 31 GLU N N 31 122.182 124.482 -2.300 1
1 292 . 6 1 1 A 31 31 GLU H H 31 8.905 9.114 -0.209 1
1 293 . 6 1 1 A 31 31 GLU CA C 31 59.392 60.262 -0.870 1
1 294 . 6 1 1 A 31 31 GLU HA H 31 4.151 3.913 0.238 1
1 295 . 6 1 1 A 31 31 GLU CB C 31 29.605 29.862 -0.257 1
1 301 . 6 1 1 A 31 31 GLU C C 31 177.520 178.221 -0.701 1
1 302 . 6 1 1 A 32 32 VAL N N 32 108.281 117.057 -8.776 1
1 303 . 6 1 1 A 32 32 VAL H H 32 7.186 7.974 -0.788 1
1 304 . 6 1 1 A 32 32 VAL CA C 32 61.950 65.304 -3.354 1
1 305 . 6 1 1 A 32 32 VAL HA H 32 4.365 3.984 0.381 1
1 306 . 6 1 1 A 32 32 VAL CB C 32 32.222 31.440 0.782 1
1 316 . 6 1 1 A 32 32 VAL C C 32 176.602 176.212 0.390 1
1 317 . 6 1 1 A 33 33 GLU N N 33 120.835 122.786 -1.951 1
1 318 . 6 1 1 A 33 33 GLU H H 33 7.751 7.955 -0.204 1
1 319 . 6 1 1 A 33 33 GLU CA C 33 55.560 56.039 -0.479 1
1 320 . 6 1 1 A 33 33 GLU HA H 33 5.106 4.742 0.364 1
1 321 . 6 1 1 A 33 33 GLU CB C 33 31.354 30.053 1.301 1
1 327 . 6 1 1 A 33 33 GLU C C 33 176.180 175.594 0.586 1
1 328 . 6 1 1 A 34 34 LEU N N 34 126.568 128.588 -2.020 1
1 329 . 6 1 1 A 34 34 LEU H H 34 9.073 8.803 0.270 1
1 330 . 6 1 1 A 34 34 LEU CA C 34 53.385 54.293 -0.908 1
1 331 . 6 1 1 A 34 34 LEU HA H 34 4.481 5.014 -0.533 1
1 332 . 6 1 1 A 34 34 LEU CB C 34 44.305 44.703 -0.398 1
1 345 . 6 1 1 A 34 34 LEU C C 34 173.373 175.026 -1.653 1
1 346 . 6 1 1 A 35 35 SER N N 35 116.987 123.119 -6.132 1
1 347 . 6 1 1 A 35 35 SER H H 35 7.561 8.835 -1.274 1
1 348 . 6 1 1 A 35 35 SER CA C 35 58.335 57.433 0.902 1
1 349 . 6 1 1 A 35 35 SER HA H 35 4.569 5.457 -0.888 1
1 350 . 6 1 1 A 35 35 SER CB C 35 64.536 65.689 -1.153 1
1 353 . 6 1 1 A 35 35 SER C C 35 174.513 173.597 0.916 1
1 354 . 6 1 1 A 36 36 PHE N N 36 117.028 120.462 -3.434 1
1 355 . 6 1 1 A 36 36 PHE H H 36 8.339 8.613 -0.274 1
1 356 . 6 1 1 A 36 36 PHE CA C 36 55.938 55.886 0.052 1
1 357 . 6 1 1 A 36 36 PHE HA H 36 4.647 5.237 -0.590 1
1 358 . 6 1 1 A 36 36 PHE CB C 36 39.959 41.239 -1.280 1
1 371 . 6 1 1 A 36 36 PHE C C 36 174.055 172.525 1.530 1
1 372 . 6 1 1 A 37 37 ARG N N 37 120.296 119.977 0.319 1
1 373 . 6 1 1 A 37 37 ARG H H 37 9.859 8.729 1.130 1
1 374 . 6 1 1 A 37 37 ARG CA C 37 53.915 54.228 -0.313 1
1 375 . 6 1 1 A 37 37 ARG HA H 37 4.929 5.030 -0.101 1
1 376 . 6 1 1 A 37 37 ARG CB C 37 32.735 32.846 -0.111 1
1 385 . 6 1 1 A 37 37 ARG C C 37 175.793 175.791 0.002 1
1 386 . 6 1 1 A 38 38 LYS N N 38 121.649 124.048 -2.399 1
1 387 . 6 1 1 A 38 38 LYS H H 38 7.938 8.669 -0.731 1
1 388 . 6 1 1 A 38 38 LYS CA C 38 58.880 58.232 0.648 1
1 389 . 6 1 1 A 38 38 LYS HA H 38 3.291 4.241 -0.950 1
1 390 . 6 1 1 A 38 38 LYS CB C 38 32.755 32.068 0.687 1
1 402 . 6 1 1 A 38 38 LYS C C 38 176.459 177.262 -0.803 1
1 403 . 6 1 1 A 39 39 GLY N N 39 114.431 114.863 -0.432 1
1 404 . 6 1 1 A 39 39 GLY H H 39 8.618 8.985 -0.367 1
1 405 . 6 1 1 A 39 39 GLY CA C 39 44.652 45.063 -0.411 1
1 406 . 6 1 1 A 39 39 GLY HA2 H 39 3.438 4.007 -0.569 1
1 407 . 6 1 1 A 39 39 GLY HA3 H 39 4.399 4.017 0.382 1
1 408 . 6 1 1 A 39 39 GLY C C 39 174.586 174.378 0.208 1
1 409 . 6 1 1 A 40 40 GLU N N 40 119.554 121.355 -1.801 1
1 410 . 6 1 1 A 40 40 GLU H H 40 7.931 7.959 -0.028 1
1 411 . 6 1 1 A 40 40 GLU CA C 40 59.197 57.408 1.789 1
1 412 . 6 1 1 A 40 40 GLU HA H 40 4.272 4.339 -0.067 1
1 413 . 6 1 1 A 40 40 GLU CB C 40 30.759 30.748 0.011 1
1 419 . 6 1 1 A 40 40 GLU C C 40 175.278 175.506 -0.228 1
1 420 . 6 1 1 A 41 41 HIS N N 41 121.677 120.534 1.143 1
1 421 . 6 1 1 A 41 41 HIS H H 41 8.837 9.007 -0.170 1
1 422 . 6 1 1 A 41 41 HIS CA C 41 56.432 54.582 1.850 1
1 423 . 6 1 1 A 41 41 HIS HA H 41 4.817 5.033 -0.216 1
1 424 . 6 1 1 A 41 41 HIS CB C 41 30.260 30.132 0.128 1
1 431 . 6 1 1 A 41 41 HIS C C 41 174.622 174.058 0.564 1
1 432 . 6 1 1 A 42 42 ILE N N 42 123.889 125.512 -1.623 1
1 433 . 6 1 1 A 42 42 ILE H H 42 8.753 8.921 -0.168 1
1 434 . 6 1 1 A 42 42 ILE CA C 42 60.433 60.184 0.249 1
1 435 . 6 1 1 A 42 42 ILE HA H 42 4.079 4.527 -0.448 1
1 436 . 6 1 1 A 42 42 ILE CB C 42 42.258 38.708 3.550 1
1 449 . 6 1 1 A 42 42 ILE C C 42 174.377 174.686 -0.309 1
1 450 . 6 1 1 A 43 43 CYS N N 43 127.431 127.785 -0.354 1
1 451 . 6 1 1 A 43 43 CYS H H 43 8.877 8.495 0.382 1
1 452 . 6 1 1 A 43 43 CYS CA C 43 57.909 58.495 -0.586 1
1 453 . 6 1 1 A 43 43 CYS HA H 43 4.654 4.916 -0.262 1
1 454 . 6 1 1 A 43 43 CYS CB C 43 26.650 28.506 -1.856 1
1 457 . 6 1 1 A 43 43 CYS C C 43 174.875 173.859 1.016 1
1 458 . 6 1 1 A 44 44 LEU N N 44 126.732 128.859 -2.127 1
1 459 . 6 1 1 A 44 44 LEU H H 44 7.724 8.307 -0.583 1
1 460 . 6 1 1 A 44 44 LEU CA C 44 53.741 55.078 -1.337 1
1 461 . 6 1 1 A 44 44 LEU HA H 44 4.546 4.404 0.142 1
1 462 . 6 1 1 A 44 44 LEU CB C 44 43.286 40.819 2.467 1
1 475 . 6 1 1 A 44 44 LEU C C 44 175.004 176.191 -1.187 1
1 476 . 6 1 1 A 45 45 ILE N N 45 125.519 127.131 -1.612 1
1 477 . 6 1 1 A 45 45 ILE H H 45 9.058 9.147 -0.089 1
1 478 . 6 1 1 A 45 45 ILE CA C 45 63.488 63.850 -0.362 1
1 479 . 6 1 1 A 45 45 ILE HA H 45 4.121 4.346 -0.225 1
1 480 . 6 1 1 A 45 45 ILE CB C 45 39.808 38.650 1.158 1
1 493 . 6 1 1 A 46 46 ARG N N 46 105.448 115.443 -9.995 1
1 494 . 6 1 1 A 46 46 ARG H H 46 7.377 7.302 0.075 1
1 495 . 6 1 1 A 46 46 ARG CA C 46 54.848 54.907 -0.059 1
1 496 . 6 1 1 A 46 46 ARG HA H 46 4.576 4.676 -0.100 1
1 497 . 6 1 1 A 46 46 ARG CB C 46 32.078 33.277 -1.199 1
1 508 . 6 1 1 A 46 46 ARG C C 46 174.353 174.925 -0.572 1
1 509 . 6 1 1 A 47 47 LYS N N 47 124.397 125.431 -1.034 1
1 510 . 6 1 1 A 47 47 LYS H H 47 9.254 8.658 0.596 1
1 511 . 6 1 1 A 47 47 LYS CA C 47 56.832 57.320 -0.488 1
1 512 . 6 1 1 A 47 47 LYS HA H 47 4.353 4.193 0.160 1
1 513 . 6 1 1 A 47 47 LYS CB C 47 32.868 33.212 -0.344 1
1 525 . 6 1 1 A 47 47 LYS C C 47 176.540 177.110 -0.570 1
1 526 . 6 1 1 A 48 48 VAL N N 48 126.203 128.134 -1.931 1
1 527 . 6 1 1 A 48 48 VAL H H 48 8.289 8.540 -0.251 1
1 528 . 6 1 1 A 48 48 VAL CA C 48 63.966 64.183 -0.217 1
1 529 . 6 1 1 A 48 48 VAL HA H 48 3.784 4.023 -0.239 1
1 530 . 6 1 1 A 48 48 VAL CB C 48 33.030 32.824 0.206 1
1 540 . 6 1 1 A 48 48 VAL C C 48 175.547 175.313 0.234 1
1 541 . 6 1 1 A 49 49 ASN N N 49 115.717 116.365 -0.648 1
1 542 . 6 1 1 A 49 49 ASN H H 49 8.167 7.646 0.521 1
1 543 . 6 1 1 A 49 49 ASN CA C 49 52.768 51.612 1.156 1
1 544 . 6 1 1 A 49 49 ASN HA H 49 4.428 5.070 -0.642 1
1 545 . 6 1 1 A 49 49 ASN CB C 49 37.683 42.351 -4.668 1
1 551 . 6 1 1 A 49 49 ASN C C 49 174.537 175.815 -1.278 1
1 552 . 6 1 1 A 50 50 GLU N N 50 114.361 120.961 -6.600 1
1 553 . 6 1 1 A 50 50 GLU H H 50 8.781 9.170 -0.389 1
1 554 . 6 1 1 A 50 50 GLU CA C 50 59.835 58.526 1.309 1
1 555 . 6 1 1 A 50 50 GLU HA H 50 3.947 4.039 -0.092 1
1 556 . 6 1 1 A 50 50 GLU CB C 50 29.534 28.988 0.546 1
1 562 . 6 1 1 A 50 50 GLU C C 50 176.796 176.581 0.215 1
1 563 . 6 1 1 A 51 51 ASN N N 51 112.673 116.274 -3.601 1
1 564 . 6 1 1 A 51 51 ASN H H 51 8.535 7.789 0.746 1
1 565 . 6 1 1 A 51 51 ASN CA C 51 53.328 54.180 -0.852 1
1 566 . 6 1 1 A 51 51 ASN HA H 51 4.968 4.822 0.146 1
1 567 . 6 1 1 A 51 51 ASN CB C 51 41.171 41.184 -0.013 1
1 573 . 6 1 1 A 51 51 ASN C C 51 174.756 175.253 -0.497 1
1 574 . 6 1 1 A 52 52 TRP N N 52 121.399 118.091 3.308 1
1 575 . 6 1 1 A 52 52 TRP H H 52 7.726 7.945 -0.219 1
1 576 . 6 1 1 A 52 52 TRP CA C 52 57.485 56.743 0.742 1
1 577 . 6 1 1 A 52 52 TRP HA H 52 5.072 4.897 0.175 1
1 578 . 6 1 1 A 52 52 TRP CB C 52 31.703 31.357 0.346 1
1 593 . 6 1 1 A 52 52 TRP C C 52 174.756 175.553 -0.797 1
1 594 . 6 1 1 A 53 53 TYR N N 53 118.564 119.445 -0.881 1
1 595 . 6 1 1 A 53 53 TYR H H 53 8.443 8.772 -0.329 1
1 596 . 6 1 1 A 53 53 TYR CA C 53 57.305 56.192 1.113 1
1 597 . 6 1 1 A 53 53 TYR HA H 53 4.978 5.181 -0.203 1
1 598 . 6 1 1 A 53 53 TYR CB C 53 44.030 43.039 0.991 1
1 609 . 6 1 1 A 53 53 TYR C C 53 174.045 173.858 0.187 1
1 610 . 6 1 1 A 54 54 GLU N N 54 117.557 121.354 -3.797 1
1 611 . 6 1 1 A 54 54 GLU H H 54 8.906 8.630 0.276 1
1 612 . 6 1 1 A 54 54 GLU CA C 54 54.986 55.262 -0.276 1
1 613 . 6 1 1 A 54 54 GLU HA H 54 5.059 5.122 -0.063 1
1 614 . 6 1 1 A 54 54 GLU CB C 54 32.458 32.536 -0.078 1
1 620 . 6 1 1 A 54 54 GLU C C 54 176.438 175.306 1.132 1
1 621 . 6 1 1 A 55 55 GLY N N 55 114.051 113.093 0.958 1
1 622 . 6 1 1 A 55 55 GLY H H 55 9.556 8.636 0.920 1
1 623 . 6 1 1 A 55 55 GLY CA C 55 45.816 45.312 0.504 1
1 624 . 6 1 1 A 55 55 GLY HA2 H 55 5.166 4.491 0.675 1
1 625 . 6 1 1 A 55 55 GLY HA3 H 55 3.929 4.644 -0.715 1
1 626 . 6 1 1 A 55 55 GLY C C 55 169.584 172.972 -3.388 1
1 627 . 6 1 1 A 56 56 ARG N N 56 116.523 118.113 -1.590 1
1 628 . 6 1 1 A 56 56 ARG H H 56 9.093 8.885 0.208 1
1 629 . 6 1 1 A 56 56 ARG CA C 56 53.977 54.110 -0.133 1
1 630 . 6 1 1 A 56 56 ARG HA H 56 5.528 5.347 0.181 1
1 631 . 6 1 1 A 56 56 ARG CB C 56 34.963 34.154 0.809 1
1 640 . 6 1 1 A 56 56 ARG C C 56 174.325 174.289 0.036 1
1 641 . 6 1 1 A 57 57 ILE N N 57 123.690 123.490 0.200 1
1 642 . 6 1 1 A 57 57 ILE H H 57 8.230 9.396 -1.166 1
1 643 . 6 1 1 A 57 57 ILE CA C 57 59.706 60.557 -0.851 1
1 644 . 6 1 1 A 57 57 ILE HA H 57 4.585 4.564 0.021 1
1 645 . 6 1 1 A 57 57 ILE CB C 57 35.623 37.925 -2.302 1
1 658 . 6 1 1 A 57 57 ILE C C 57 177.239 175.738 1.501 1
1 659 . 6 1 1 A 58 58 THR N N 58 112.797 123.483 -10.686 1
1 660 . 6 1 1 A 58 58 THR H H 58 8.805 8.641 0.164 1
1 661 . 6 1 1 A 58 58 THR CA C 58 65.598 63.749 1.849 1
1 662 . 6 1 1 A 58 58 THR HA H 58 3.857 4.128 -0.271 1
1 663 . 6 1 1 A 58 58 THR CB C 58 68.553 68.679 -0.126 1
1 669 . 6 1 1 A 59 59 GLY CA C 59 45.463 45.300 0.163 1
1 670 . 6 1 1 A 59 59 GLY HA2 H 59 3.834 4.008 -0.174 1
1 671 . 6 1 1 A 59 59 GLY HA3 H 59 4.266 4.010 0.256 1
1 672 . 6 1 1 A 59 59 GLY C C 59 174.543 174.551 -0.008 1
1 673 . 6 1 1 A 60 60 THR N N 60 108.632 112.183 -3.551 1
1 674 . 6 1 1 A 60 60 THR H H 60 7.779 7.818 -0.039 1
1 675 . 6 1 1 A 60 60 THR CA C 60 61.017 62.848 -1.831 1
1 676 . 6 1 1 A 60 60 THR HA H 60 4.892 4.417 0.475 1
1 677 . 6 1 1 A 60 60 THR CB C 60 72.426 70.450 1.976 1
1 683 . 6 1 1 A 60 60 THR C C 60 175.144 175.411 -0.267 1
1 684 . 6 1 1 A 61 61 GLY CA C 61 45.320 45.246 0.074 1
1 685 . 6 1 1 A 61 61 GLY HA2 H 61 3.930 4.058 -0.128 1
1 686 . 6 1 1 A 61 61 GLY HA3 H 61 4.183 4.060 0.123 1
1 687 . 6 1 1 A 61 61 GLY C C 61 174.641 174.573 0.068 1
1 688 . 6 1 1 A 62 62 ARG N N 62 121.575 121.463 0.112 1
1 689 . 6 1 1 A 62 62 ARG H H 62 8.229 7.540 0.689 1
1 690 . 6 1 1 A 62 62 ARG CA C 62 56.440 57.262 -0.822 1
1 691 . 6 1 1 A 62 62 ARG HA H 62 4.380 4.337 0.043 1
1 692 . 6 1 1 A 62 62 ARG CB C 62 30.667 31.266 -0.599 1
1 701 . 6 1 1 A 62 62 ARG C C 62 174.530 175.695 -1.165 1
1 702 . 6 1 1 A 63 63 GLN N N 63 124.206 122.839 1.367 1
1 703 . 6 1 1 A 63 63 GLN H H 63 8.473 8.556 -0.083 1
1 704 . 6 1 1 A 63 63 GLN CA C 63 54.768 55.271 -0.503 1
1 705 . 6 1 1 A 63 63 GLN HA H 63 5.449 5.159 0.290 1
1 706 . 6 1 1 A 63 63 GLN CB C 63 32.243 32.510 -0.267 1
1 715 . 6 1 1 A 63 63 GLN C C 63 174.555 174.752 -0.197 1
1 716 . 6 1 1 A 64 64 GLY N N 64 111.132 111.049 0.083 1
1 717 . 6 1 1 A 64 64 GLY H H 64 8.962 8.329 0.633 1
1 718 . 6 1 1 A 64 64 GLY CA C 64 45.780 46.191 -0.411 1
1 719 . 6 1 1 A 64 64 GLY HA2 H 64 4.498 4.345 0.153 1
1 720 . 6 1 1 A 64 64 GLY HA3 H 64 4.351 4.387 -0.036 1
1 721 . 6 1 1 A 64 64 GLY C C 64 172.117 172.306 -0.189 1
1 722 . 6 1 1 A 65 65 ILE N N 65 114.051 118.603 -4.552 1
1 723 . 6 1 1 A 65 65 ILE H H 65 8.824 9.077 -0.253 1
1 724 . 6 1 1 A 65 65 ILE CA C 65 59.949 58.571 1.378 1
1 725 . 6 1 1 A 65 65 ILE HA H 65 6.195 5.335 0.860 1
1 726 . 6 1 1 A 65 65 ILE CB C 65 41.669 41.872 -0.203 1
1 739 . 6 1 1 A 65 65 ILE C C 65 176.874 174.869 2.005 1
1 740 . 6 1 1 A 66 66 PHE N N 66 116.902 118.449 -1.547 1
1 741 . 6 1 1 A 66 66 PHE H H 66 8.770 8.266 0.504 1
1 742 . 6 1 1 A 66 66 PHE CA C 66 56.114 55.322 0.792 1
1 743 . 6 1 1 A 66 66 PHE HA H 66 4.952 4.819 0.133 1
1 744 . 6 1 1 A 66 66 PHE CB C 66 38.504 39.572 -1.068 1
1 757 . 6 1 1 A 66 66 PHE C C 66 170.992 171.520 -0.528 1
1 758 . 6 1 1 A 67 67 PRO CA C 67 61.161 62.545 -1.384 1
1 759 . 6 1 1 A 67 67 PRO HA H 67 3.678 4.166 -0.488 1
1 760 . 6 1 1 A 67 67 PRO CB C 67 30.788 31.491 -0.703 1
1 769 . 6 1 1 A 67 67 PRO C C 67 177.819 177.513 0.306 1
1 770 . 6 1 1 A 68 68 ALA N N 68 126.195 128.335 -2.140 1
1 771 . 6 1 1 A 68 68 ALA H H 68 8.458 8.327 0.131 1
1 772 . 6 1 1 A 68 68 ALA CA C 68 54.676 55.503 -0.827 1
1 773 . 6 1 1 A 68 68 ALA HA H 68 4.008 4.203 -0.195 1
1 774 . 6 1 1 A 68 68 ALA CB C 68 18.986 18.550 0.436 1
1 778 . 6 1 1 A 68 68 ALA C C 68 178.933 179.810 -0.877 1
1 779 . 6 1 1 A 69 69 SER N N 69 110.156 113.903 -3.747 1
1 780 . 6 1 1 A 69 69 SER H H 69 8.370 8.164 0.206 1
1 781 . 6 1 1 A 69 69 SER CA C 69 60.250 61.913 -1.663 1
1 782 . 6 1 1 A 69 69 SER HA H 69 4.265 4.181 0.084 1
1 783 . 6 1 1 A 69 69 SER CB C 69 62.718 63.239 -0.521 1
1 786 . 6 1 1 A 69 69 SER C C 69 175.748 175.968 -0.220 1
1 787 . 6 1 1 A 70 70 TYR N N 70 119.475 118.753 0.722 1
1 788 . 6 1 1 A 70 70 TYR H H 70 7.728 7.921 -0.193 1
1 789 . 6 1 1 A 70 70 TYR CA C 70 60.061 60.197 -0.136 1
1 790 . 6 1 1 A 70 70 TYR HA H 70 4.620 4.425 0.195 1
1 791 . 6 1 1 A 70 70 TYR CB C 70 39.039 39.416 -0.377 1
1 802 . 6 1 1 A 70 70 TYR C C 70 176.140 176.338 -0.198 1
1 803 . 6 1 1 A 71 71 VAL N N 71 110.320 116.280 -5.960 1
1 804 . 6 1 1 A 71 71 VAL H H 71 8.064 7.777 0.287 1
1 805 . 6 1 1 A 71 71 VAL CA C 71 58.737 60.189 -1.452 1
1 806 . 6 1 1 A 71 71 VAL HA H 71 5.073 4.501 0.572 1
1 807 . 6 1 1 A 71 71 VAL CB C 71 35.550 33.927 1.623 1
1 817 . 6 1 1 A 71 71 VAL C C 71 173.044 173.912 -0.868 1
1 818 . 6 1 1 A 72 72 GLN N N 72 119.621 121.726 -2.105 1
1 819 . 6 1 1 A 72 72 GLN H H 72 8.448 8.714 -0.266 1
1 820 . 6 1 1 A 72 72 GLN CA C 72 54.351 54.345 0.006 1
1 821 . 6 1 1 A 72 72 GLN HA H 72 4.724 4.849 -0.125 1
1 822 . 6 1 1 A 72 72 GLN CB C 72 30.373 31.748 -1.375 1
1 831 . 6 1 1 A 72 72 GLN C C 72 176.050 174.425 1.625 1
1 832 . 6 1 1 A 73 73 VAL N N 73 130.439 127.796 2.643 1
1 833 . 6 1 1 A 73 73 VAL H H 73 9.369 8.899 0.470 1
1 834 . 6 1 1 A 73 73 VAL CA C 73 63.957 62.645 1.312 1
1 835 . 6 1 1 A 73 73 VAL HA H 73 3.856 4.146 -0.290 1
1 836 . 6 1 1 A 73 73 VAL CB C 73 32.616 31.805 0.811 1
1 846 . 6 1 1 A 73 73 VAL C C 73 176.043 175.754 0.289 1
1 847 . 6 1 1 A 74 74 SER N N 74 123.766 122.398 1.368 1
1 848 . 6 1 1 A 74 74 SER H H 74 8.708 8.743 -0.035 1
1 849 . 6 1 1 A 74 74 SER CA C 74 58.930 59.371 -0.441 1
1 850 . 6 1 1 A 74 74 SER HA H 74 4.627 4.561 0.066 1
1 851 . 6 1 1 A 74 74 SER CB C 74 63.548 65.275 -1.727 1
1 854 . 6 1 1 A 74 74 SER C C 74 174.821 174.061 0.760 1
1 855 . 6 1 1 A 75 75 ARG N N 75 122.335 120.250 2.085 1
1 856 . 6 1 1 A 75 75 ARG H H 75 7.690 7.475 0.215 1
1 857 . 6 1 1 A 75 75 ARG CA C 75 56.185 54.867 1.318 1
1 858 . 6 1 1 A 75 75 ARG HA H 75 4.526 4.654 -0.128 1
1 859 . 6 1 1 A 75 75 ARG CB C 75 33.734 30.853 2.881 1
1 868 . 6 1 1 A 75 75 ARG C C 75 174.824 174.789 0.035 1
1 869 . 6 1 1 A 76 76 GLU N N 76 126.797 126.023 0.774 1
1 870 . 6 1 1 A 76 76 GLU H H 76 8.916 8.350 0.566 1
1 871 . 6 1 1 A 76 76 GLU CA C 76 54.874 55.494 -0.620 1
1 872 . 6 1 1 A 76 76 GLU HA H 76 4.561 4.339 0.222 1
1 873 . 6 1 1 A 76 76 GLU CB C 76 28.925 29.225 -0.300 1
1 879 . 6 1 1 A 76 76 GLU C C 76 175.557 174.957 0.600 1
1 880 . 6 1 1 A 77 77 PRO CA C 77 62.726 62.929 -0.203 1
1 881 . 6 1 1 A 77 77 PRO HA H 77 4.584 4.576 0.008 1
1 882 . 6 1 1 A 77 77 PRO CB C 77 32.153 32.053 0.100 1
1 891 . 6 1 1 A 78 78 ARG N N 78 120.959 122.035 -1.076 1
1 892 . 6 1 1 A 78 78 ARG H H 78 8.814 8.526 0.288 1
1 893 . 6 1 1 A 78 78 ARG CA C 78 55.491 55.835 -0.344 1
1 894 . 6 1 1 A 78 78 ARG HA H 78 4.743 4.656 0.087 1
1 895 . 6 1 1 A 78 78 ARG CB C 78 33.443 31.351 2.092 1
1 904 . 6 1 1 A 79 79 LEU N N 79 125.756 127.793 -2.037 1
1 905 . 6 1 1 A 79 79 LEU H H 79 8.789 9.092 -0.303 1
1 906 . 6 1 1 A 79 79 LEU CA C 79 54.346 56.043 -1.697 1
1 907 . 6 1 1 A 79 79 LEU HA H 79 5.007 4.388 0.619 1
1 908 . 6 1 1 A 79 79 LEU CB C 79 44.609 42.905 1.704 1
1 917 . 6 1 1 A 80 80 ARG N N 80 121.792 115.204 6.588 1
1 918 . 6 1 1 A 80 80 ARG H H 80 8.908 7.587 1.321 1
1 919 . 6 1 1 A 80 80 ARG CA C 80 54.966 55.661 -0.695 1
1 920 . 6 1 1 A 80 80 ARG HA H 80 4.611 4.656 -0.045 1
1 921 . 6 1 1 A 80 80 ARG CB C 80 32.686 33.221 -0.535 1
1 924 . 6 1 1 A 81 81 LEU N N 81 126.556 128.274 -1.718 1
1 925 . 6 1 1 A 81 81 LEU H H 81 8.702 8.757 -0.055 1
1 926 . 6 1 1 A 81 81 LEU CA C 81 55.199 54.669 0.530 1
1 927 . 6 1 1 A 81 81 LEU HA H 81 4.472 4.491 -0.019 1
1 928 . 6 1 1 A 81 81 LEU CB C 81 42.368 40.727 1.641 1
1 941 . 6 1 1 A 82 82 CYS N N 82 121.583 124.349 -2.766 1
1 942 . 6 1 1 A 82 82 CYS H H 82 8.466 8.124 0.342 1
1 943 . 6 1 1 A 82 82 CYS CA C 82 58.583 60.144 -1.561 1
1 944 . 6 1 1 A 82 82 CYS HA H 82 4.475 4.627 -0.152 1
1 945 . 6 1 1 A 82 82 CYS CB C 82 28.438 29.594 -1.156 1
1 948 . 6 1 1 A 83 83 ASP N N 83 122.639 120.158 2.481 1
1 949 . 6 1 1 A 83 83 ASP H H 83 8.400 7.869 0.531 1
1 950 . 6 1 1 A 83 83 ASP CA C 83 54.210 54.107 0.103 1
1 951 . 6 1 1 A 83 83 ASP HA H 83 4.654 4.505 0.149 1
1 952 . 6 1 1 A 83 83 ASP CB C 83 41.291 41.220 0.071 1
1 955 . 6 1 1 A 83 83 ASP C C 83 175.900 175.350 0.550 1
1 956 . 6 1 1 A 84 84 ASP N N 84 121.113 126.767 -5.654 1
1 957 . 6 1 1 A 84 84 ASP H H 84 8.310 8.540 -0.230 1
1 958 . 6 1 1 A 84 84 ASP CA C 84 54.330 54.029 0.301 1
1 959 . 6 1 1 A 84 84 ASP HA H 84 4.650 4.676 -0.026 1
1 960 . 6 1 1 A 84 84 ASP CB C 84 41.283 40.053 1.230 1
1 963 . 6 1 1 A 84 84 ASP C C 84 176.407 176.024 0.383 1
1 964 . 6 1 1 A 85 85 SER N N 85 116.212 116.888 -0.676 1
1 965 . 6 1 1 A 85 85 SER H H 85 8.332 8.410 -0.078 1
1 966 . 6 1 1 A 85 85 SER CA C 85 58.819 56.522 2.297 1
1 967 . 6 1 1 A 85 85 SER HA H 85 4.438 5.223 -0.785 1
1 968 . 6 1 1 A 85 85 SER CB C 85 63.961 66.327 -2.366 1
1 971 . 6 1 1 A 85 85 SER C C 85 174.867 173.674 1.193 1
1 972 . 6 1 1 A 86 86 GLY N N 86 110.652 107.472 3.180 1
1 973 . 6 1 1 A 86 86 GLY H H 86 8.251 8.412 -0.161 1
1 974 . 6 1 1 A 86 86 GLY CA C 86 44.758 44.948 -0.190 1
1 975 . 6 1 1 A 86 86 GLY HA2 H 86 4.109 4.313 -0.204 1
1 976 . 6 1 1 A 86 86 GLY HA3 H 86 4.109 4.314 -0.205 1
1 977 . 6 1 1 A 86 86 GLY C C 86 171.914 171.495 0.419 1
1 978 . 6 1 1 A 87 87 PRO CA C 87 63.192 62.704 0.488 1
1 979 . 6 1 1 A 87 87 PRO HA H 87 4.484 4.680 -0.196 1
1 980 . 6 1 1 A 87 87 PRO CB C 87 32.243 33.542 -1.299 1
1 989 . 6 1 1 A 87 87 PRO C C 87 177.470 174.981 2.489 1
1 990 . 6 1 1 A 88 88 SER N N 88 116.433 116.875 -0.442 1
1 991 . 6 1 1 A 88 88 SER H H 88 8.518 9.073 -0.555 1
1 992 . 6 1 1 A 88 88 SER CA C 88 58.330 56.895 1.435 1
1 993 . 6 1 1 A 88 88 SER HA H 88 4.571 4.862 -0.291 1
1 994 . 6 1 1 A 88 88 SER CB C 88 63.896 65.706 -1.810 1
1 997 . 6 1 1 A 88 88 SER C C 88 174.747 172.777 1.970 1
1 998 . 6 1 1 A 89 89 SER N N 89 117.882 118.896 -1.014 1
1 999 . 6 1 1 A 89 89 SER H H 89 8.335 8.283 0.052 1
1 1000 . 6 1 1 A 89 89 SER CA C 89 58.497 60.089 -1.592 1
1 1001 . 6 1 1 A 89 89 SER CB C 89 64.209 63.764 0.445 1
1 1004 . 6 1 1 A 89 89 SER C C 89 174.100 175.066 -0.966 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.146 44.681 0.465 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.966 4.224 -0.258 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.966 4.225 -0.259 1
1 4 . 7 1 1 A 7 7 GLY C C 7 173.687 172.161 1.526 1
1 5 . 7 1 1 A 8 8 LYS N N 8 122.140 125.572 -3.432 1
1 6 . 7 1 1 A 8 8 LYS H H 8 8.107 8.637 -0.530 1
1 7 . 7 1 1 A 8 8 LYS CA C 8 54.053 54.001 0.052 1
1 8 . 7 1 1 A 8 8 LYS HA H 8 4.620 4.622 -0.002 1
1 9 . 7 1 1 A 8 8 LYS CB C 8 32.649 31.885 0.764 1
1 21 . 7 1 1 A 8 8 LYS C C 8 174.270 174.520 -0.250 1
1 22 . 7 1 1 A 9 9 PRO CA C 9 61.632 61.696 -0.064 1
1 23 . 7 1 1 A 9 9 PRO HA H 9 4.687 4.614 0.073 1
1 24 . 7 1 1 A 9 9 PRO CB C 9 30.855 32.489 -1.634 1
1 33 . 7 1 1 A 10 10 PRO CA C 10 62.942 64.614 -1.672 1
1 34 . 7 1 1 A 10 10 PRO HA H 10 4.473 4.358 0.115 1
1 35 . 7 1 1 A 10 10 PRO CB C 10 32.197 31.971 0.226 1
1 44 . 7 1 1 A 11 11 THR N N 11 128.434 110.183 18.251 1
1 45 . 7 1 1 A 11 11 THR H H 11 8.172 7.482 0.690 1
1 46 . 7 1 1 A 11 11 THR CA C 11 61.644 59.633 2.011 1
1 47 . 7 1 1 A 11 11 THR HA H 11 4.357 4.740 -0.383 1
1 48 . 7 1 1 A 11 11 THR CB C 11 70.204 71.546 -1.342 1
1 54 . 7 1 1 A 12 12 TYR N N 12 120.312 127.210 -6.898 1
1 55 . 7 1 1 A 12 12 TYR H H 12 8.033 8.832 -0.799 1
1 56 . 7 1 1 A 12 12 TYR CA C 12 56.633 58.114 -1.481 1
1 57 . 7 1 1 A 12 12 TYR HA H 12 4.967 4.411 0.556 1
1 58 . 7 1 1 A 12 12 TYR CB C 12 40.403 38.603 1.800 1
1 69 . 7 1 1 A 13 13 GLN H H 13 8.634 8.311 0.323 1
1 70 . 7 1 1 A 13 13 GLN CA C 13 54.519 56.361 -1.842 1
1 71 . 7 1 1 A 13 13 GLN HA H 13 4.626 4.132 0.494 1
1 72 . 7 1 1 A 13 13 GLN CB C 13 31.183 29.426 1.757 1
1 81 . 7 1 1 A 14 14 VAL N N 14 124.270 127.821 -3.551 1
1 82 . 7 1 1 A 14 14 VAL H H 14 8.773 8.364 0.409 1
1 83 . 7 1 1 A 14 14 VAL CA C 14 62.977 63.810 -0.833 1
1 84 . 7 1 1 A 14 14 VAL HA H 14 4.018 3.987 0.031 1
1 85 . 7 1 1 A 14 14 VAL CB C 14 32.909 32.005 0.904 1
1 95 . 7 1 1 A 15 15 LEU N N 15 128.403 126.684 1.719 1
1 96 . 7 1 1 A 15 15 LEU H H 15 8.726 8.975 -0.249 1
1 97 . 7 1 1 A 15 15 LEU CA C 15 55.620 56.412 -0.792 1
1 98 . 7 1 1 A 15 15 LEU HA H 15 4.412 4.427 -0.015 1
1 99 . 7 1 1 A 15 15 LEU CB C 15 42.580 42.779 -0.199 1
1 112 . 7 1 1 A 16 16 GLU H H 16 8.687 7.898 0.789 1
1 113 . 7 1 1 A 16 16 GLU CA C 16 55.492 58.329 -2.837 1
1 114 . 7 1 1 A 16 16 GLU HA H 16 4.401 4.408 -0.007 1
1 115 . 7 1 1 A 16 16 GLU CB C 16 32.409 30.684 1.725 1
1 120 . 7 1 1 A 17 17 TYR N N 17 124.726 119.843 4.883 1
1 121 . 7 1 1 A 17 17 TYR H H 17 8.505 7.633 0.872 1
1 122 . 7 1 1 A 17 17 TYR CA C 17 58.490 59.134 -0.644 1
1 123 . 7 1 1 A 17 17 TYR HA H 17 4.598 4.485 0.113 1
1 124 . 7 1 1 A 17 17 TYR CB C 17 38.814 39.313 -0.499 1
1 135 . 7 1 1 A 18 18 GLY N N 18 106.652 111.396 -4.744 1
1 136 . 7 1 1 A 18 18 GLY H H 18 9.176 8.458 0.718 1
1 137 . 7 1 1 A 18 18 GLY CA C 18 43.947 44.533 -0.586 1
1 138 . 7 1 1 A 18 18 GLY HA2 H 18 3.646 4.144 -0.498 1
1 139 . 7 1 1 A 18 18 GLY HA3 H 18 4.287 4.154 0.133 1
1 140 . 7 1 1 A 19 19 GLU N N 19 122.571 121.684 0.887 1
1 141 . 7 1 1 A 19 19 GLU H H 19 9.450 8.847 0.603 1
1 142 . 7 1 1 A 19 19 GLU CA C 19 56.496 55.366 1.130 1
1 143 . 7 1 1 A 19 19 GLU HA H 19 5.218 5.204 0.014 1
1 144 . 7 1 1 A 19 19 GLU CB C 19 34.419 32.871 1.548 1
1 149 . 7 1 1 A 19 19 GLU C C 19 173.496 175.203 -1.707 1
1 150 . 7 1 1 A 20 20 ALA N N 20 125.442 127.744 -2.302 1
1 151 . 7 1 1 A 20 20 ALA H H 20 8.813 8.686 0.127 1
1 152 . 7 1 1 A 20 20 ALA CA C 20 50.154 51.299 -1.145 1
1 153 . 7 1 1 A 20 20 ALA HA H 20 5.132 5.104 0.028 1
1 154 . 7 1 1 A 20 20 ALA CB C 20 24.742 23.556 1.186 1
1 158 . 7 1 1 A 20 20 ALA C C 20 174.555 174.933 -0.378 1
1 159 . 7 1 1 A 21 21 VAL N N 21 117.729 119.746 -2.017 1
1 160 . 7 1 1 A 21 21 VAL H H 21 8.118 8.710 -0.592 1
1 161 . 7 1 1 A 21 21 VAL CA C 21 60.211 60.060 0.151 1
1 162 . 7 1 1 A 21 21 VAL HA H 21 4.478 4.449 0.029 1
1 163 . 7 1 1 A 21 21 VAL CB C 21 34.751 35.243 -0.492 1
1 173 . 7 1 1 A 21 21 VAL C C 21 176.351 175.091 1.260 1
1 174 . 7 1 1 A 22 22 ALA N N 22 130.024 129.208 0.816 1
1 175 . 7 1 1 A 22 22 ALA H H 22 8.689 8.301 0.388 1
1 176 . 7 1 1 A 22 22 ALA CA C 22 53.496 52.994 0.502 1
1 177 . 7 1 1 A 22 22 ALA HA H 22 4.170 4.162 0.008 1
1 178 . 7 1 1 A 22 22 ALA CB C 22 20.793 18.934 1.859 1
1 182 . 7 1 1 A 22 22 ALA C C 22 178.156 176.477 1.679 1
1 183 . 7 1 1 A 23 23 GLN N N 23 126.904 122.295 4.609 1
1 184 . 7 1 1 A 23 23 GLN H H 23 9.442 8.787 0.655 1
1 185 . 7 1 1 A 23 23 GLN CA C 23 55.611 56.967 -1.356 1
1 186 . 7 1 1 A 23 23 GLN HA H 23 4.202 4.443 -0.241 1
1 187 . 7 1 1 A 23 23 GLN CB C 23 30.345 30.544 -0.199 1
1 196 . 7 1 1 A 23 23 GLN C C 23 173.200 175.511 -2.311 1
1 197 . 7 1 1 A 24 24 TYR N N 24 115.157 116.759 -1.602 1
1 198 . 7 1 1 A 24 24 TYR H H 24 7.696 8.192 -0.496 1
1 199 . 7 1 1 A 24 24 TYR CA C 24 55.303 56.655 -1.352 1
1 200 . 7 1 1 A 24 24 TYR HA H 24 4.847 5.253 -0.406 1
1 201 . 7 1 1 A 24 24 TYR CB C 24 43.087 41.742 1.345 1
1 212 . 7 1 1 A 24 24 TYR C C 24 173.829 175.822 -1.993 1
1 213 . 7 1 1 A 25 25 THR N N 25 118.997 119.626 -0.629 1
1 214 . 7 1 1 A 25 25 THR H H 25 8.697 8.852 -0.155 1
1 215 . 7 1 1 A 25 25 THR CA C 25 63.201 63.786 -0.585 1
1 216 . 7 1 1 A 25 25 THR HA H 25 4.483 4.622 -0.139 1
1 217 . 7 1 1 A 25 25 THR CB C 25 70.228 69.711 0.517 1
1 223 . 7 1 1 A 25 25 THR C C 25 173.214 173.992 -0.778 1
1 224 . 7 1 1 A 26 26 PHE N N 26 129.691 126.142 3.549 1
1 225 . 7 1 1 A 26 26 PHE H H 26 8.460 8.393 0.067 1
1 226 . 7 1 1 A 26 26 PHE CA C 26 55.887 56.201 -0.314 1
1 227 . 7 1 1 A 26 26 PHE HA H 26 4.631 5.207 -0.576 1
1 228 . 7 1 1 A 26 26 PHE CB C 26 42.134 42.709 -0.575 1
1 241 . 7 1 1 A 26 26 PHE C C 26 173.089 173.296 -0.207 1
1 242 . 7 1 1 A 27 27 LYS N N 27 129.755 125.777 3.978 1
1 243 . 7 1 1 A 27 27 LYS H H 27 7.879 7.282 0.597 1
1 244 . 7 1 1 A 27 27 LYS CA C 27 54.562 54.396 0.166 1
1 245 . 7 1 1 A 27 27 LYS HA H 27 4.023 4.775 -0.752 1
1 246 . 7 1 1 A 27 27 LYS CB C 27 32.490 35.196 -2.706 1
1 258 . 7 1 1 A 27 27 LYS C C 27 174.852 174.427 0.425 1
1 259 . 7 1 1 A 28 28 GLY N N 28 113.171 114.458 -1.287 1
1 260 . 7 1 1 A 28 28 GLY H H 28 7.726 8.895 -1.169 1
1 261 . 7 1 1 A 28 28 GLY CA C 28 45.922 45.005 0.917 1
1 262 . 7 1 1 A 28 28 GLY HA2 H 28 3.151 4.299 -1.148 1
1 263 . 7 1 1 A 28 28 GLY HA3 H 28 3.619 4.494 -0.875 1
1 264 . 7 1 1 A 28 28 GLY C C 28 173.250 173.742 -0.492 1
1 265 . 7 1 1 A 29 29 ASP N N 29 121.578 125.758 -4.180 1
1 266 . 7 1 1 A 29 29 ASP H H 29 8.743 8.922 -0.179 1
1 267 . 7 1 1 A 29 29 ASP CA C 29 55.162 56.052 -0.890 1
1 268 . 7 1 1 A 29 29 ASP HA H 29 4.616 4.564 0.052 1
1 269 . 7 1 1 A 29 29 ASP CB C 29 42.815 41.060 1.755 1
1 272 . 7 1 1 A 29 29 ASP C C 29 176.583 176.282 0.301 1
1 273 . 7 1 1 A 30 30 LEU N N 30 119.139 120.796 -1.657 1
1 274 . 7 1 1 A 30 30 LEU H H 30 8.069 7.720 0.349 1
1 275 . 7 1 1 A 30 30 LEU CA C 30 54.174 54.284 -0.110 1
1 276 . 7 1 1 A 30 30 LEU HA H 30 4.585 4.402 0.183 1
1 277 . 7 1 1 A 30 30 LEU CB C 30 44.109 41.833 2.276 1
1 290 . 7 1 1 A 30 30 LEU C C 30 179.241 178.294 0.947 1
1 291 . 7 1 1 A 31 31 GLU N N 31 122.182 123.017 -0.835 1
1 292 . 7 1 1 A 31 31 GLU H H 31 8.905 9.041 -0.136 1
1 293 . 7 1 1 A 31 31 GLU CA C 31 59.392 59.258 0.134 1
1 294 . 7 1 1 A 31 31 GLU HA H 31 4.151 4.004 0.147 1
1 295 . 7 1 1 A 31 31 GLU CB C 31 29.605 29.660 -0.055 1
1 301 . 7 1 1 A 31 31 GLU C C 31 177.520 178.358 -0.838 1
1 302 . 7 1 1 A 32 32 VAL N N 32 108.281 117.816 -9.535 1
1 303 . 7 1 1 A 32 32 VAL H H 32 7.186 7.894 -0.708 1
1 304 . 7 1 1 A 32 32 VAL CA C 32 61.950 65.422 -3.472 1
1 305 . 7 1 1 A 32 32 VAL HA H 32 4.365 3.867 0.498 1
1 306 . 7 1 1 A 32 32 VAL CB C 32 32.222 31.460 0.762 1
1 316 . 7 1 1 A 32 32 VAL C C 32 176.602 176.391 0.211 1
1 317 . 7 1 1 A 33 33 GLU N N 33 120.835 122.588 -1.753 1
1 318 . 7 1 1 A 33 33 GLU H H 33 7.751 7.899 -0.148 1
1 319 . 7 1 1 A 33 33 GLU CA C 33 55.560 56.215 -0.655 1
1 320 . 7 1 1 A 33 33 GLU HA H 33 5.106 4.637 0.469 1
1 321 . 7 1 1 A 33 33 GLU CB C 33 31.354 30.347 1.007 1
1 327 . 7 1 1 A 33 33 GLU C C 33 176.180 175.564 0.616 1
1 328 . 7 1 1 A 34 34 LEU N N 34 126.568 128.594 -2.026 1
1 329 . 7 1 1 A 34 34 LEU H H 34 9.073 8.779 0.294 1
1 330 . 7 1 1 A 34 34 LEU CA C 34 53.385 54.102 -0.717 1
1 331 . 7 1 1 A 34 34 LEU HA H 34 4.481 5.014 -0.533 1
1 332 . 7 1 1 A 34 34 LEU CB C 34 44.305 44.744 -0.439 1
1 345 . 7 1 1 A 34 34 LEU C C 34 173.373 175.080 -1.707 1
1 346 . 7 1 1 A 35 35 SER N N 35 116.987 122.641 -5.654 1
1 347 . 7 1 1 A 35 35 SER H H 35 7.561 9.071 -1.510 1
1 348 . 7 1 1 A 35 35 SER CA C 35 58.335 56.719 1.616 1
1 349 . 7 1 1 A 35 35 SER HA H 35 4.569 5.394 -0.825 1
1 350 . 7 1 1 A 35 35 SER CB C 35 64.536 65.865 -1.329 1
1 353 . 7 1 1 A 35 35 SER C C 35 174.513 172.912 1.601 1
1 354 . 7 1 1 A 36 36 PHE N N 36 117.028 119.952 -2.924 1
1 355 . 7 1 1 A 36 36 PHE H H 36 8.339 8.483 -0.144 1
1 356 . 7 1 1 A 36 36 PHE CA C 36 55.938 56.652 -0.714 1
1 357 . 7 1 1 A 36 36 PHE HA H 36 4.647 5.094 -0.447 1
1 358 . 7 1 1 A 36 36 PHE CB C 36 39.959 40.710 -0.751 1
1 371 . 7 1 1 A 36 36 PHE C C 36 174.055 172.273 1.782 1
1 372 . 7 1 1 A 37 37 ARG N N 37 120.296 120.667 -0.371 1
1 373 . 7 1 1 A 37 37 ARG H H 37 9.859 8.362 1.497 1
1 374 . 7 1 1 A 37 37 ARG CA C 37 53.915 55.079 -1.164 1
1 375 . 7 1 1 A 37 37 ARG HA H 37 4.929 4.803 0.126 1
1 376 . 7 1 1 A 37 37 ARG CB C 37 32.735 31.927 0.808 1
1 385 . 7 1 1 A 37 37 ARG C C 37 175.793 176.150 -0.357 1
1 386 . 7 1 1 A 38 38 LYS N N 38 121.649 123.163 -1.514 1
1 387 . 7 1 1 A 38 38 LYS H H 38 7.938 8.699 -0.761 1
1 388 . 7 1 1 A 38 38 LYS CA C 38 58.880 58.292 0.588 1
1 389 . 7 1 1 A 38 38 LYS HA H 38 3.291 3.945 -0.654 1
1 390 . 7 1 1 A 38 38 LYS CB C 38 32.755 32.067 0.688 1
1 402 . 7 1 1 A 38 38 LYS C C 38 176.459 177.357 -0.898 1
1 403 . 7 1 1 A 39 39 GLY N N 39 114.431 114.895 -0.464 1
1 404 . 7 1 1 A 39 39 GLY H H 39 8.618 8.812 -0.194 1
1 405 . 7 1 1 A 39 39 GLY CA C 39 44.652 45.120 -0.468 1
1 406 . 7 1 1 A 39 39 GLY HA2 H 39 3.438 4.016 -0.578 1
1 407 . 7 1 1 A 39 39 GLY HA3 H 39 4.399 4.027 0.372 1
1 408 . 7 1 1 A 39 39 GLY C C 39 174.586 174.432 0.154 1
1 409 . 7 1 1 A 40 40 GLU N N 40 119.554 121.369 -1.815 1
1 410 . 7 1 1 A 40 40 GLU H H 40 7.931 7.781 0.150 1
1 411 . 7 1 1 A 40 40 GLU CA C 40 59.197 57.325 1.872 1
1 412 . 7 1 1 A 40 40 GLU HA H 40 4.272 4.361 -0.089 1
1 413 . 7 1 1 A 40 40 GLU CB C 40 30.759 30.764 -0.005 1
1 419 . 7 1 1 A 40 40 GLU C C 40 175.278 175.745 -0.467 1
1 420 . 7 1 1 A 41 41 HIS N N 41 121.677 120.458 1.219 1
1 421 . 7 1 1 A 41 41 HIS H H 41 8.837 9.035 -0.198 1
1 422 . 7 1 1 A 41 41 HIS CA C 41 56.432 54.845 1.587 1
1 423 . 7 1 1 A 41 41 HIS HA H 41 4.817 5.010 -0.193 1
1 424 . 7 1 1 A 41 41 HIS CB C 41 30.260 30.406 -0.146 1
1 431 . 7 1 1 A 41 41 HIS C C 41 174.622 174.171 0.451 1
1 432 . 7 1 1 A 42 42 ILE N N 42 123.889 124.368 -0.479 1
1 433 . 7 1 1 A 42 42 ILE H H 42 8.753 8.956 -0.203 1
1 434 . 7 1 1 A 42 42 ILE CA C 42 60.433 60.314 0.119 1
1 435 . 7 1 1 A 42 42 ILE HA H 42 4.079 4.521 -0.442 1
1 436 . 7 1 1 A 42 42 ILE CB C 42 42.258 39.868 2.390 1
1 449 . 7 1 1 A 42 42 ILE C C 42 174.377 174.732 -0.355 1
1 450 . 7 1 1 A 43 43 CYS N N 43 127.431 127.644 -0.213 1
1 451 . 7 1 1 A 43 43 CYS H H 43 8.877 8.617 0.260 1
1 452 . 7 1 1 A 43 43 CYS CA C 43 57.909 57.022 0.887 1
1 453 . 7 1 1 A 43 43 CYS HA H 43 4.654 5.074 -0.420 1
1 454 . 7 1 1 A 43 43 CYS CB C 43 26.650 30.301 -3.651 1
1 457 . 7 1 1 A 43 43 CYS C C 43 174.875 173.328 1.547 1
1 458 . 7 1 1 A 44 44 LEU N N 44 126.732 127.182 -0.450 1
1 459 . 7 1 1 A 44 44 LEU H H 44 7.724 8.760 -1.036 1
1 460 . 7 1 1 A 44 44 LEU CA C 44 53.741 54.508 -0.767 1
1 461 . 7 1 1 A 44 44 LEU HA H 44 4.546 4.523 0.023 1
1 462 . 7 1 1 A 44 44 LEU CB C 44 43.286 41.114 2.172 1
1 475 . 7 1 1 A 44 44 LEU C C 44 175.004 176.547 -1.543 1
1 476 . 7 1 1 A 45 45 ILE N N 45 125.519 126.807 -1.288 1
1 477 . 7 1 1 A 45 45 ILE H H 45 9.058 8.847 0.211 1
1 478 . 7 1 1 A 45 45 ILE CA C 45 63.488 62.863 0.625 1
1 479 . 7 1 1 A 45 45 ILE HA H 45 4.121 4.385 -0.264 1
1 480 . 7 1 1 A 45 45 ILE CB C 45 39.808 38.547 1.261 1
1 493 . 7 1 1 A 46 46 ARG N N 46 105.448 120.056 -14.608 1
1 494 . 7 1 1 A 46 46 ARG H H 46 7.377 7.477 -0.100 1
1 495 . 7 1 1 A 46 46 ARG CA C 46 54.848 55.393 -0.545 1
1 496 . 7 1 1 A 46 46 ARG HA H 46 4.576 4.757 -0.181 1
1 497 . 7 1 1 A 46 46 ARG CB C 46 32.078 32.931 -0.853 1
1 508 . 7 1 1 A 46 46 ARG C C 46 174.353 174.475 -0.122 1
1 509 . 7 1 1 A 47 47 LYS N N 47 124.397 127.638 -3.241 1
1 510 . 7 1 1 A 47 47 LYS H H 47 9.254 8.699 0.555 1
1 511 . 7 1 1 A 47 47 LYS CA C 47 56.832 56.498 0.334 1
1 512 . 7 1 1 A 47 47 LYS HA H 47 4.353 4.583 -0.230 1
1 513 . 7 1 1 A 47 47 LYS CB C 47 32.868 32.135 0.733 1
1 525 . 7 1 1 A 47 47 LYS C C 47 176.540 176.770 -0.230 1
1 526 . 7 1 1 A 48 48 VAL N N 48 126.203 126.513 -0.310 1
1 527 . 7 1 1 A 48 48 VAL H H 48 8.289 8.465 -0.176 1
1 528 . 7 1 1 A 48 48 VAL CA C 48 63.966 66.047 -2.081 1
1 529 . 7 1 1 A 48 48 VAL HA H 48 3.784 3.545 0.239 1
1 530 . 7 1 1 A 48 48 VAL CB C 48 33.030 32.035 0.995 1
1 540 . 7 1 1 A 48 48 VAL C C 48 175.547 176.343 -0.796 1
1 541 . 7 1 1 A 49 49 ASN N N 49 115.717 116.111 -0.394 1
1 542 . 7 1 1 A 49 49 ASN H H 49 8.167 7.384 0.783 1
1 543 . 7 1 1 A 49 49 ASN CA C 49 52.768 51.580 1.188 1
1 544 . 7 1 1 A 49 49 ASN HA H 49 4.428 5.046 -0.618 1
1 545 . 7 1 1 A 49 49 ASN CB C 49 37.683 42.334 -4.651 1
1 551 . 7 1 1 A 49 49 ASN C C 49 174.537 175.475 -0.938 1
1 552 . 7 1 1 A 50 50 GLU N N 50 114.361 120.592 -6.231 1
1 553 . 7 1 1 A 50 50 GLU H H 50 8.781 9.300 -0.519 1
1 554 . 7 1 1 A 50 50 GLU CA C 50 59.835 58.442 1.393 1
1 555 . 7 1 1 A 50 50 GLU HA H 50 3.947 4.019 -0.072 1
1 556 . 7 1 1 A 50 50 GLU CB C 50 29.534 28.752 0.782 1
1 562 . 7 1 1 A 50 50 GLU C C 50 176.796 176.150 0.646 1
1 563 . 7 1 1 A 51 51 ASN N N 51 112.673 116.379 -3.706 1
1 564 . 7 1 1 A 51 51 ASN H H 51 8.535 7.719 0.816 1
1 565 . 7 1 1 A 51 51 ASN CA C 51 53.328 53.874 -0.546 1
1 566 . 7 1 1 A 51 51 ASN HA H 51 4.968 4.760 0.208 1
1 567 . 7 1 1 A 51 51 ASN CB C 51 41.171 41.203 -0.032 1
1 573 . 7 1 1 A 51 51 ASN C C 51 174.756 174.926 -0.170 1
1 574 . 7 1 1 A 52 52 TRP N N 52 121.399 118.282 3.117 1
1 575 . 7 1 1 A 52 52 TRP H H 52 7.726 7.679 0.047 1
1 576 . 7 1 1 A 52 52 TRP CA C 52 57.485 55.486 1.999 1
1 577 . 7 1 1 A 52 52 TRP HA H 52 5.072 5.093 -0.021 1
1 578 . 7 1 1 A 52 52 TRP CB C 52 31.703 32.405 -0.702 1
1 593 . 7 1 1 A 52 52 TRP C C 52 174.756 174.839 -0.083 1
1 594 . 7 1 1 A 53 53 TYR N N 53 118.564 118.848 -0.284 1
1 595 . 7 1 1 A 53 53 TYR H H 53 8.443 8.484 -0.041 1
1 596 . 7 1 1 A 53 53 TYR CA C 53 57.305 56.246 1.059 1
1 597 . 7 1 1 A 53 53 TYR HA H 53 4.978 4.802 0.176 1
1 598 . 7 1 1 A 53 53 TYR CB C 53 44.030 42.658 1.372 1
1 609 . 7 1 1 A 53 53 TYR C C 53 174.045 173.830 0.215 1
1 610 . 7 1 1 A 54 54 GLU N N 54 117.557 124.107 -6.550 1
1 611 . 7 1 1 A 54 54 GLU H H 54 8.906 8.681 0.225 1
1 612 . 7 1 1 A 54 54 GLU CA C 54 54.986 54.905 0.081 1
1 613 . 7 1 1 A 54 54 GLU HA H 54 5.059 5.162 -0.103 1
1 614 . 7 1 1 A 54 54 GLU CB C 54 32.458 32.351 0.107 1
1 620 . 7 1 1 A 54 54 GLU C C 54 176.438 175.647 0.791 1
1 621 . 7 1 1 A 55 55 GLY N N 55 114.051 113.061 0.990 1
1 622 . 7 1 1 A 55 55 GLY H H 55 9.556 8.824 0.732 1
1 623 . 7 1 1 A 55 55 GLY CA C 55 45.816 45.471 0.345 1
1 624 . 7 1 1 A 55 55 GLY HA2 H 55 5.166 4.491 0.675 1
1 625 . 7 1 1 A 55 55 GLY HA3 H 55 3.929 4.623 -0.694 1
1 626 . 7 1 1 A 55 55 GLY C C 55 169.584 173.037 -3.453 1
1 627 . 7 1 1 A 56 56 ARG N N 56 116.523 116.856 -0.333 1
1 628 . 7 1 1 A 56 56 ARG H H 56 9.093 8.348 0.745 1
1 629 . 7 1 1 A 56 56 ARG CA C 56 53.977 54.281 -0.304 1
1 630 . 7 1 1 A 56 56 ARG HA H 56 5.528 5.181 0.347 1
1 631 . 7 1 1 A 56 56 ARG CB C 56 34.963 33.909 1.054 1
1 640 . 7 1 1 A 56 56 ARG C C 56 174.325 174.482 -0.157 1
1 641 . 7 1 1 A 57 57 ILE N N 57 123.690 124.460 -0.770 1
1 642 . 7 1 1 A 57 57 ILE H H 57 8.230 8.445 -0.215 1
1 643 . 7 1 1 A 57 57 ILE CA C 57 59.706 61.377 -1.671 1
1 644 . 7 1 1 A 57 57 ILE HA H 57 4.585 4.366 0.219 1
1 645 . 7 1 1 A 57 57 ILE CB C 57 35.623 37.365 -1.742 1
1 658 . 7 1 1 A 57 57 ILE C C 57 177.239 175.754 1.485 1
1 659 . 7 1 1 A 58 58 THR N N 58 112.797 123.593 -10.796 1
1 660 . 7 1 1 A 58 58 THR H H 58 8.805 8.188 0.617 1
1 661 . 7 1 1 A 58 58 THR CA C 58 65.598 63.761 1.837 1
1 662 . 7 1 1 A 58 58 THR HA H 58 3.857 4.117 -0.260 1
1 663 . 7 1 1 A 58 58 THR CB C 58 68.553 68.683 -0.130 1
1 669 . 7 1 1 A 59 59 GLY CA C 59 45.463 45.313 0.150 1
1 670 . 7 1 1 A 59 59 GLY HA2 H 59 3.834 4.007 -0.173 1
1 671 . 7 1 1 A 59 59 GLY HA3 H 59 4.266 4.009 0.257 1
1 672 . 7 1 1 A 59 59 GLY C C 59 174.543 174.522 0.021 1
1 673 . 7 1 1 A 60 60 THR N N 60 108.632 112.079 -3.447 1
1 674 . 7 1 1 A 60 60 THR H H 60 7.779 7.758 0.021 1
1 675 . 7 1 1 A 60 60 THR CA C 60 61.017 62.857 -1.840 1
1 676 . 7 1 1 A 60 60 THR HA H 60 4.892 4.385 0.507 1
1 677 . 7 1 1 A 60 60 THR CB C 60 72.426 70.359 2.067 1
1 683 . 7 1 1 A 60 60 THR C C 60 175.144 175.407 -0.263 1
1 684 . 7 1 1 A 61 61 GLY CA C 61 45.320 45.150 0.170 1
1 685 . 7 1 1 A 61 61 GLY HA2 H 61 3.930 4.060 -0.130 1
1 686 . 7 1 1 A 61 61 GLY HA3 H 61 4.183 4.061 0.122 1
1 687 . 7 1 1 A 61 61 GLY C C 61 174.641 174.537 0.104 1
1 688 . 7 1 1 A 62 62 ARG N N 62 121.575 120.947 0.628 1
1 689 . 7 1 1 A 62 62 ARG H H 62 8.229 7.715 0.514 1
1 690 . 7 1 1 A 62 62 ARG CA C 62 56.440 56.794 -0.354 1
1 691 . 7 1 1 A 62 62 ARG HA H 62 4.380 4.328 0.052 1
1 692 . 7 1 1 A 62 62 ARG CB C 62 30.667 31.675 -1.008 1
1 701 . 7 1 1 A 62 62 ARG C C 62 174.530 175.548 -1.018 1
1 702 . 7 1 1 A 63 63 GLN N N 63 124.206 121.714 2.492 1
1 703 . 7 1 1 A 63 63 GLN H H 63 8.473 8.647 -0.174 1
1 704 . 7 1 1 A 63 63 GLN CA C 63 54.768 55.477 -0.709 1
1 705 . 7 1 1 A 63 63 GLN HA H 63 5.449 5.062 0.387 1
1 706 . 7 1 1 A 63 63 GLN CB C 63 32.243 32.032 0.211 1
1 715 . 7 1 1 A 63 63 GLN C C 63 174.555 174.773 -0.218 1
1 716 . 7 1 1 A 64 64 GLY N N 64 111.132 110.488 0.644 1
1 717 . 7 1 1 A 64 64 GLY H H 64 8.962 8.547 0.415 1
1 718 . 7 1 1 A 64 64 GLY CA C 64 45.780 46.219 -0.439 1
1 719 . 7 1 1 A 64 64 GLY HA2 H 64 4.498 4.223 0.275 1
1 720 . 7 1 1 A 64 64 GLY HA3 H 64 4.351 4.268 0.083 1
1 721 . 7 1 1 A 64 64 GLY C C 64 172.117 172.125 -0.008 1
1 722 . 7 1 1 A 65 65 ILE N N 65 114.051 116.849 -2.798 1
1 723 . 7 1 1 A 65 65 ILE H H 65 8.824 9.078 -0.254 1
1 724 . 7 1 1 A 65 65 ILE CA C 65 59.949 59.061 0.888 1
1 725 . 7 1 1 A 65 65 ILE HA H 65 6.195 5.297 0.898 1
1 726 . 7 1 1 A 65 65 ILE CB C 65 41.669 40.339 1.330 1
1 739 . 7 1 1 A 65 65 ILE C C 65 176.874 175.213 1.661 1
1 740 . 7 1 1 A 66 66 PHE N N 66 116.902 118.623 -1.721 1
1 741 . 7 1 1 A 66 66 PHE H H 66 8.770 8.765 0.005 1
1 742 . 7 1 1 A 66 66 PHE CA C 66 56.114 55.312 0.802 1
1 743 . 7 1 1 A 66 66 PHE HA H 66 4.952 4.914 0.038 1
1 744 . 7 1 1 A 66 66 PHE CB C 66 38.504 39.657 -1.153 1
1 757 . 7 1 1 A 66 66 PHE C C 66 170.992 172.014 -1.022 1
1 758 . 7 1 1 A 67 67 PRO CA C 67 61.161 62.973 -1.812 1
1 759 . 7 1 1 A 67 67 PRO HA H 67 3.678 4.174 -0.496 1
1 760 . 7 1 1 A 67 67 PRO CB C 67 30.788 32.506 -1.718 1
1 769 . 7 1 1 A 67 67 PRO C C 67 177.819 177.343 0.476 1
1 770 . 7 1 1 A 68 68 ALA N N 68 126.195 127.495 -1.300 1
1 771 . 7 1 1 A 68 68 ALA H H 68 8.458 8.570 -0.112 1
1 772 . 7 1 1 A 68 68 ALA CA C 68 54.676 54.997 -0.321 1
1 773 . 7 1 1 A 68 68 ALA HA H 68 4.008 4.265 -0.257 1
1 774 . 7 1 1 A 68 68 ALA CB C 68 18.986 18.583 0.403 1
1 778 . 7 1 1 A 68 68 ALA C C 68 178.933 179.524 -0.591 1
1 779 . 7 1 1 A 69 69 SER N N 69 110.156 114.235 -4.079 1
1 780 . 7 1 1 A 69 69 SER H H 69 8.370 8.104 0.266 1
1 781 . 7 1 1 A 69 69 SER CA C 69 60.250 60.892 -0.642 1
1 782 . 7 1 1 A 69 69 SER HA H 69 4.265 4.268 -0.003 1
1 783 . 7 1 1 A 69 69 SER CB C 69 62.718 62.930 -0.212 1
1 786 . 7 1 1 A 69 69 SER C C 69 175.748 174.993 0.755 1
1 787 . 7 1 1 A 70 70 TYR N N 70 119.475 118.295 1.180 1
1 788 . 7 1 1 A 70 70 TYR H H 70 7.728 8.283 -0.555 1
1 789 . 7 1 1 A 70 70 TYR CA C 70 60.061 59.041 1.020 1
1 790 . 7 1 1 A 70 70 TYR HA H 70 4.620 4.879 -0.259 1
1 791 . 7 1 1 A 70 70 TYR CB C 70 39.039 40.604 -1.565 1
1 802 . 7 1 1 A 70 70 TYR C C 70 176.140 176.051 0.089 1
1 803 . 7 1 1 A 71 71 VAL N N 71 110.320 114.723 -4.403 1
1 804 . 7 1 1 A 71 71 VAL H H 71 8.064 7.588 0.476 1
1 805 . 7 1 1 A 71 71 VAL CA C 71 58.737 59.220 -0.483 1
1 806 . 7 1 1 A 71 71 VAL HA H 71 5.073 4.890 0.183 1
1 807 . 7 1 1 A 71 71 VAL CB C 71 35.550 34.769 0.781 1
1 817 . 7 1 1 A 71 71 VAL C C 71 173.044 173.671 -0.627 1
1 818 . 7 1 1 A 72 72 GLN N N 72 119.621 121.842 -2.221 1
1 819 . 7 1 1 A 72 72 GLN H H 72 8.448 9.095 -0.647 1
1 820 . 7 1 1 A 72 72 GLN CA C 72 54.351 54.277 0.074 1
1 821 . 7 1 1 A 72 72 GLN HA H 72 4.724 4.986 -0.262 1
1 822 . 7 1 1 A 72 72 GLN CB C 72 30.373 32.060 -1.687 1
1 831 . 7 1 1 A 72 72 GLN C C 72 176.050 174.495 1.555 1
1 832 . 7 1 1 A 73 73 VAL N N 73 130.439 127.814 2.625 1
1 833 . 7 1 1 A 73 73 VAL H H 73 9.369 8.936 0.433 1
1 834 . 7 1 1 A 73 73 VAL CA C 73 63.957 62.808 1.149 1
1 835 . 7 1 1 A 73 73 VAL HA H 73 3.856 4.026 -0.170 1
1 836 . 7 1 1 A 73 73 VAL CB C 73 32.616 31.448 1.168 1
1 846 . 7 1 1 A 73 73 VAL C C 73 176.043 176.060 -0.017 1
1 847 . 7 1 1 A 74 74 SER N N 74 123.766 122.704 1.062 1
1 848 . 7 1 1 A 74 74 SER H H 74 8.708 8.955 -0.247 1
1 849 . 7 1 1 A 74 74 SER CA C 74 58.930 59.572 -0.642 1
1 850 . 7 1 1 A 74 74 SER HA H 74 4.627 4.481 0.146 1
1 851 . 7 1 1 A 74 74 SER CB C 74 63.548 64.428 -0.880 1
1 854 . 7 1 1 A 74 74 SER C C 74 174.821 173.889 0.932 1
1 855 . 7 1 1 A 75 75 ARG N N 75 122.335 119.355 2.980 1
1 856 . 7 1 1 A 75 75 ARG H H 75 7.690 7.318 0.372 1
1 857 . 7 1 1 A 75 75 ARG CA C 75 56.185 55.463 0.722 1
1 858 . 7 1 1 A 75 75 ARG HA H 75 4.526 4.761 -0.235 1
1 859 . 7 1 1 A 75 75 ARG CB C 75 33.734 32.770 0.964 1
1 868 . 7 1 1 A 75 75 ARG C C 75 174.824 174.382 0.442 1
1 869 . 7 1 1 A 76 76 GLU N N 76 126.797 127.302 -0.505 1
1 870 . 7 1 1 A 76 76 GLU H H 76 8.916 8.445 0.471 1
1 871 . 7 1 1 A 76 76 GLU CA C 76 54.874 55.222 -0.348 1
1 872 . 7 1 1 A 76 76 GLU HA H 76 4.561 4.486 0.075 1
1 873 . 7 1 1 A 76 76 GLU CB C 76 28.925 28.856 0.069 1
1 879 . 7 1 1 A 76 76 GLU C C 76 175.557 174.760 0.797 1
1 880 . 7 1 1 A 77 77 PRO CA C 77 62.726 62.618 0.108 1
1 881 . 7 1 1 A 77 77 PRO HA H 77 4.584 4.916 -0.332 1
1 882 . 7 1 1 A 77 77 PRO CB C 77 32.153 32.504 -0.351 1
1 891 . 7 1 1 A 78 78 ARG N N 78 120.959 122.449 -1.490 1
1 892 . 7 1 1 A 78 78 ARG H H 78 8.814 8.576 0.238 1
1 893 . 7 1 1 A 78 78 ARG CA C 78 55.491 58.905 -3.414 1
1 894 . 7 1 1 A 78 78 ARG HA H 78 4.743 4.013 0.730 1
1 895 . 7 1 1 A 78 78 ARG CB C 78 33.443 30.221 3.222 1
1 904 . 7 1 1 A 79 79 LEU N N 79 125.756 120.354 5.402 1
1 905 . 7 1 1 A 79 79 LEU H H 79 8.789 7.412 1.377 1
1 906 . 7 1 1 A 79 79 LEU CA C 79 54.346 56.080 -1.734 1
1 907 . 7 1 1 A 79 79 LEU HA H 79 5.007 4.165 0.842 1
1 908 . 7 1 1 A 79 79 LEU CB C 79 44.609 42.112 2.497 1
1 917 . 7 1 1 A 80 80 ARG N N 80 121.792 123.811 -2.019 1
1 918 . 7 1 1 A 80 80 ARG H H 80 8.908 9.015 -0.107 1
1 919 . 7 1 1 A 80 80 ARG CA C 80 54.966 56.951 -1.985 1
1 920 . 7 1 1 A 80 80 ARG HA H 80 4.611 3.850 0.761 1
1 921 . 7 1 1 A 80 80 ARG CB C 80 32.686 28.002 4.684 1
1 924 . 7 1 1 A 81 81 LEU N N 81 126.556 117.269 9.287 1
1 925 . 7 1 1 A 81 81 LEU H H 81 8.702 8.026 0.676 1
1 926 . 7 1 1 A 81 81 LEU CA C 81 55.199 57.964 -2.765 1
1 927 . 7 1 1 A 81 81 LEU HA H 81 4.472 3.967 0.505 1
1 928 . 7 1 1 A 81 81 LEU CB C 81 42.368 41.326 1.042 1
1 941 . 7 1 1 A 82 82 CYS N N 82 121.583 120.439 1.144 1
1 942 . 7 1 1 A 82 82 CYS H H 82 8.466 7.518 0.948 1
1 943 . 7 1 1 A 82 82 CYS CA C 82 58.583 60.012 -1.429 1
1 944 . 7 1 1 A 82 82 CYS HA H 82 4.475 4.377 0.098 1
1 945 . 7 1 1 A 82 82 CYS CB C 82 28.438 28.036 0.402 1
1 948 . 7 1 1 A 83 83 ASP N N 83 122.639 124.306 -1.667 1
1 949 . 7 1 1 A 83 83 ASP H H 83 8.400 8.608 -0.208 1
1 950 . 7 1 1 A 83 83 ASP CA C 83 54.210 52.925 1.285 1
1 951 . 7 1 1 A 83 83 ASP HA H 83 4.654 5.057 -0.403 1
1 952 . 7 1 1 A 83 83 ASP CB C 83 41.291 42.706 -1.415 1
1 955 . 7 1 1 A 83 83 ASP C C 83 175.900 176.010 -0.110 1
1 956 . 7 1 1 A 84 84 ASP N N 84 121.113 126.627 -5.514 1
1 957 . 7 1 1 A 84 84 ASP H H 84 8.310 8.953 -0.643 1
1 958 . 7 1 1 A 84 84 ASP CA C 84 54.330 58.017 -3.687 1
1 959 . 7 1 1 A 84 84 ASP HA H 84 4.650 4.262 0.388 1
1 960 . 7 1 1 A 84 84 ASP CB C 84 41.283 40.944 0.339 1
1 963 . 7 1 1 A 84 84 ASP C C 84 176.407 176.306 0.101 1
1 964 . 7 1 1 A 85 85 SER N N 85 116.212 110.721 5.491 1
1 965 . 7 1 1 A 85 85 SER H H 85 8.332 7.678 0.654 1
1 966 . 7 1 1 A 85 85 SER CA C 85 58.819 59.083 -0.264 1
1 967 . 7 1 1 A 85 85 SER HA H 85 4.438 4.455 -0.017 1
1 968 . 7 1 1 A 85 85 SER CB C 85 63.961 63.722 0.239 1
1 971 . 7 1 1 A 85 85 SER C C 85 174.867 174.402 0.465 1
1 972 . 7 1 1 A 86 86 GLY N N 86 110.652 109.183 1.469 1
1 973 . 7 1 1 A 86 86 GLY H H 86 8.251 8.429 -0.178 1
1 974 . 7 1 1 A 86 86 GLY CA C 86 44.758 44.273 0.485 1
1 975 . 7 1 1 A 86 86 GLY HA2 H 86 4.109 4.111 -0.002 1
1 976 . 7 1 1 A 86 86 GLY HA3 H 86 4.109 4.111 -0.002 1
1 977 . 7 1 1 A 86 86 GLY C C 86 171.914 174.081 -2.167 1
1 978 . 7 1 1 A 87 87 PRO CA C 87 63.192 62.693 0.499 1
1 979 . 7 1 1 A 87 87 PRO HA H 87 4.484 4.593 -0.109 1
1 980 . 7 1 1 A 87 87 PRO CB C 87 32.243 31.985 0.258 1
1 989 . 7 1 1 A 87 87 PRO C C 87 177.470 176.229 1.241 1
1 990 . 7 1 1 A 88 88 SER N N 88 116.433 117.976 -1.543 1
1 991 . 7 1 1 A 88 88 SER H H 88 8.518 8.494 0.024 1
1 992 . 7 1 1 A 88 88 SER CA C 88 58.330 57.306 1.024 1
1 993 . 7 1 1 A 88 88 SER HA H 88 4.571 4.782 -0.211 1
1 994 . 7 1 1 A 88 88 SER CB C 88 63.896 63.630 0.266 1
1 997 . 7 1 1 A 88 88 SER C C 88 174.747 174.498 0.249 1
1 998 . 7 1 1 A 89 89 SER N N 89 117.882 124.984 -7.102 1
1 999 . 7 1 1 A 89 89 SER H H 89 8.335 8.625 -0.290 1
1 1000 . 7 1 1 A 89 89 SER CA C 89 58.497 58.966 -0.469 1
1 1001 . 7 1 1 A 89 89 SER CB C 89 64.209 64.209 0.000 1
1 1004 . 7 1 1 A 89 89 SER C C 89 174.100 174.418 -0.318 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.146 45.237 -0.091 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.966 4.166 -0.200 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.966 4.167 -0.201 1
1 4 . 8 1 1 A 7 7 GLY C C 7 173.687 174.089 -0.402 1
1 5 . 8 1 1 A 8 8 LYS N N 8 122.140 119.321 2.819 1
1 6 . 8 1 1 A 8 8 LYS H H 8 8.107 7.908 0.199 1
1 7 . 8 1 1 A 8 8 LYS CA C 8 54.053 53.024 1.029 1
1 8 . 8 1 1 A 8 8 LYS HA H 8 4.620 4.776 -0.156 1
1 9 . 8 1 1 A 8 8 LYS CB C 8 32.649 33.430 -0.781 1
1 21 . 8 1 1 A 8 8 LYS C C 8 174.270 174.071 0.199 1
1 22 . 8 1 1 A 9 9 PRO CA C 9 61.632 61.618 0.014 1
1 23 . 8 1 1 A 9 9 PRO HA H 9 4.687 4.629 0.058 1
1 24 . 8 1 1 A 9 9 PRO CB C 9 30.855 31.623 -0.768 1
1 33 . 8 1 1 A 10 10 PRO CA C 10 62.942 62.520 0.422 1
1 34 . 8 1 1 A 10 10 PRO HA H 10 4.473 4.605 -0.132 1
1 35 . 8 1 1 A 10 10 PRO CB C 10 32.197 33.543 -1.346 1
1 44 . 8 1 1 A 11 11 THR N N 11 128.434 109.077 19.357 1
1 45 . 8 1 1 A 11 11 THR H H 11 8.172 8.393 -0.221 1
1 46 . 8 1 1 A 11 11 THR CA C 11 61.644 62.156 -0.512 1
1 47 . 8 1 1 A 11 11 THR HA H 11 4.357 4.634 -0.277 1
1 48 . 8 1 1 A 11 11 THR CB C 11 70.204 70.291 -0.087 1
1 54 . 8 1 1 A 12 12 TYR N N 12 120.312 118.298 2.014 1
1 55 . 8 1 1 A 12 12 TYR H H 12 8.033 7.504 0.529 1
1 56 . 8 1 1 A 12 12 TYR CA C 12 56.633 57.031 -0.398 1
1 57 . 8 1 1 A 12 12 TYR HA H 12 4.967 4.885 0.082 1
1 58 . 8 1 1 A 12 12 TYR CB C 12 40.403 40.602 -0.199 1
1 69 . 8 1 1 A 13 13 GLN H H 13 8.634 8.474 0.160 1
1 70 . 8 1 1 A 13 13 GLN CA C 13 54.519 56.315 -1.796 1
1 71 . 8 1 1 A 13 13 GLN HA H 13 4.626 4.191 0.435 1
1 72 . 8 1 1 A 13 13 GLN CB C 13 31.183 28.980 2.203 1
1 81 . 8 1 1 A 14 14 VAL N N 14 124.270 122.327 1.943 1
1 82 . 8 1 1 A 14 14 VAL H H 14 8.773 8.408 0.365 1
1 83 . 8 1 1 A 14 14 VAL CA C 14 62.977 61.963 1.014 1
1 84 . 8 1 1 A 14 14 VAL HA H 14 4.018 4.162 -0.144 1
1 85 . 8 1 1 A 14 14 VAL CB C 14 32.909 30.817 2.092 1
1 95 . 8 1 1 A 15 15 LEU N N 15 128.403 123.294 5.109 1
1 96 . 8 1 1 A 15 15 LEU H H 15 8.726 8.751 -0.025 1
1 97 . 8 1 1 A 15 15 LEU CA C 15 55.620 54.834 0.786 1
1 98 . 8 1 1 A 15 15 LEU HA H 15 4.412 4.750 -0.338 1
1 99 . 8 1 1 A 15 15 LEU CB C 15 42.580 41.655 0.925 1
1 112 . 8 1 1 A 16 16 GLU H H 16 8.687 7.817 0.870 1
1 113 . 8 1 1 A 16 16 GLU CA C 16 55.492 55.899 -0.407 1
1 114 . 8 1 1 A 16 16 GLU HA H 16 4.401 4.485 -0.084 1
1 115 . 8 1 1 A 16 16 GLU CB C 16 32.409 28.307 4.102 1
1 120 . 8 1 1 A 17 17 TYR N N 17 124.726 122.939 1.787 1
1 121 . 8 1 1 A 17 17 TYR H H 17 8.505 8.551 -0.046 1
1 122 . 8 1 1 A 17 17 TYR CA C 17 58.490 56.482 2.008 1
1 123 . 8 1 1 A 17 17 TYR HA H 17 4.598 5.057 -0.459 1
1 124 . 8 1 1 A 17 17 TYR CB C 17 38.814 42.918 -4.104 1
1 135 . 8 1 1 A 18 18 GLY N N 18 106.652 109.204 -2.552 1
1 136 . 8 1 1 A 18 18 GLY H H 18 9.176 8.712 0.464 1
1 137 . 8 1 1 A 18 18 GLY CA C 18 43.947 45.096 -1.149 1
1 138 . 8 1 1 A 18 18 GLY HA2 H 18 3.646 4.090 -0.444 1
1 139 . 8 1 1 A 18 18 GLY HA3 H 18 4.287 4.107 0.180 1
1 140 . 8 1 1 A 19 19 GLU N N 19 122.571 121.857 0.714 1
1 141 . 8 1 1 A 19 19 GLU H H 19 9.450 8.295 1.155 1
1 142 . 8 1 1 A 19 19 GLU CA C 19 56.496 55.046 1.450 1
1 143 . 8 1 1 A 19 19 GLU HA H 19 5.218 5.209 0.009 1
1 144 . 8 1 1 A 19 19 GLU CB C 19 34.419 33.314 1.105 1
1 149 . 8 1 1 A 19 19 GLU C C 19 173.496 175.233 -1.737 1
1 150 . 8 1 1 A 20 20 ALA N N 20 125.442 127.801 -2.359 1
1 151 . 8 1 1 A 20 20 ALA H H 20 8.813 8.818 -0.005 1
1 152 . 8 1 1 A 20 20 ALA CA C 20 50.154 50.676 -0.522 1
1 153 . 8 1 1 A 20 20 ALA HA H 20 5.132 5.073 0.059 1
1 154 . 8 1 1 A 20 20 ALA CB C 20 24.742 24.289 0.453 1
1 158 . 8 1 1 A 20 20 ALA C C 20 174.555 174.973 -0.418 1
1 159 . 8 1 1 A 21 21 VAL N N 21 117.729 118.521 -0.792 1
1 160 . 8 1 1 A 21 21 VAL H H 21 8.118 8.851 -0.733 1
1 161 . 8 1 1 A 21 21 VAL CA C 21 60.211 60.261 -0.050 1
1 162 . 8 1 1 A 21 21 VAL HA H 21 4.478 4.377 0.101 1
1 163 . 8 1 1 A 21 21 VAL CB C 21 34.751 35.250 -0.499 1
1 173 . 8 1 1 A 21 21 VAL C C 21 176.351 174.927 1.424 1
1 174 . 8 1 1 A 22 22 ALA N N 22 130.024 129.103 0.921 1
1 175 . 8 1 1 A 22 22 ALA H H 22 8.689 8.180 0.509 1
1 176 . 8 1 1 A 22 22 ALA CA C 22 53.496 52.170 1.326 1
1 177 . 8 1 1 A 22 22 ALA HA H 22 4.170 4.179 -0.009 1
1 178 . 8 1 1 A 22 22 ALA CB C 22 20.793 18.456 2.337 1
1 182 . 8 1 1 A 22 22 ALA C C 22 178.156 177.161 0.995 1
1 183 . 8 1 1 A 23 23 GLN N N 23 126.904 123.900 3.004 1
1 184 . 8 1 1 A 23 23 GLN H H 23 9.442 8.623 0.819 1
1 185 . 8 1 1 A 23 23 GLN CA C 23 55.611 57.644 -2.033 1
1 186 . 8 1 1 A 23 23 GLN HA H 23 4.202 4.191 0.011 1
1 187 . 8 1 1 A 23 23 GLN CB C 23 30.345 29.862 0.483 1
1 196 . 8 1 1 A 23 23 GLN C C 23 173.200 175.691 -2.491 1
1 197 . 8 1 1 A 24 24 TYR N N 24 115.157 115.621 -0.464 1
1 198 . 8 1 1 A 24 24 TYR H H 24 7.696 8.219 -0.523 1
1 199 . 8 1 1 A 24 24 TYR CA C 24 55.303 56.887 -1.584 1
1 200 . 8 1 1 A 24 24 TYR HA H 24 4.847 5.338 -0.491 1
1 201 . 8 1 1 A 24 24 TYR CB C 24 43.087 42.114 0.973 1
1 212 . 8 1 1 A 24 24 TYR C C 24 173.829 175.990 -2.161 1
1 213 . 8 1 1 A 25 25 THR N N 25 118.997 118.959 0.038 1
1 214 . 8 1 1 A 25 25 THR H H 25 8.697 9.033 -0.336 1
1 215 . 8 1 1 A 25 25 THR CA C 25 63.201 63.360 -0.159 1
1 216 . 8 1 1 A 25 25 THR HA H 25 4.483 4.565 -0.082 1
1 217 . 8 1 1 A 25 25 THR CB C 25 70.228 68.850 1.378 1
1 223 . 8 1 1 A 25 25 THR C C 25 173.214 174.169 -0.955 1
1 224 . 8 1 1 A 26 26 PHE N N 26 129.691 127.526 2.165 1
1 225 . 8 1 1 A 26 26 PHE H H 26 8.460 8.635 -0.175 1
1 226 . 8 1 1 A 26 26 PHE CA C 26 55.887 57.614 -1.727 1
1 227 . 8 1 1 A 26 26 PHE HA H 26 4.631 4.948 -0.317 1
1 228 . 8 1 1 A 26 26 PHE CB C 26 42.134 40.364 1.770 1
1 241 . 8 1 1 A 26 26 PHE C C 26 173.089 174.117 -1.028 1
1 242 . 8 1 1 A 27 27 LYS N N 27 129.755 125.579 4.176 1
1 243 . 8 1 1 A 27 27 LYS H H 27 7.879 7.555 0.324 1
1 244 . 8 1 1 A 27 27 LYS CA C 27 54.562 54.417 0.145 1
1 245 . 8 1 1 A 27 27 LYS HA H 27 4.023 4.869 -0.846 1
1 246 . 8 1 1 A 27 27 LYS CB C 27 32.490 34.682 -2.192 1
1 258 . 8 1 1 A 27 27 LYS C C 27 174.852 174.979 -0.127 1
1 259 . 8 1 1 A 28 28 GLY N N 28 113.171 112.743 0.428 1
1 260 . 8 1 1 A 28 28 GLY H H 28 7.726 8.074 -0.348 1
1 261 . 8 1 1 A 28 28 GLY CA C 28 45.922 46.008 -0.086 1
1 262 . 8 1 1 A 28 28 GLY HA2 H 28 3.151 4.224 -1.073 1
1 263 . 8 1 1 A 28 28 GLY HA3 H 28 3.619 4.392 -0.773 1
1 264 . 8 1 1 A 28 28 GLY C C 28 173.250 173.128 0.122 1
1 265 . 8 1 1 A 29 29 ASP N N 29 121.578 121.343 0.235 1
1 266 . 8 1 1 A 29 29 ASP H H 29 8.743 8.664 0.079 1
1 267 . 8 1 1 A 29 29 ASP CA C 29 55.162 54.835 0.327 1
1 268 . 8 1 1 A 29 29 ASP HA H 29 4.616 4.852 -0.236 1
1 269 . 8 1 1 A 29 29 ASP CB C 29 42.815 43.785 -0.970 1
1 272 . 8 1 1 A 29 29 ASP C C 29 176.583 176.414 0.169 1
1 273 . 8 1 1 A 30 30 LEU N N 30 119.139 120.827 -1.688 1
1 274 . 8 1 1 A 30 30 LEU H H 30 8.069 7.525 0.544 1
1 275 . 8 1 1 A 30 30 LEU CA C 30 54.174 55.150 -0.976 1
1 276 . 8 1 1 A 30 30 LEU HA H 30 4.585 4.352 0.233 1
1 277 . 8 1 1 A 30 30 LEU CB C 30 44.109 42.849 1.260 1
1 290 . 8 1 1 A 30 30 LEU C C 30 179.241 178.330 0.911 1
1 291 . 8 1 1 A 31 31 GLU N N 31 122.182 121.263 0.919 1
1 292 . 8 1 1 A 31 31 GLU H H 31 8.905 8.985 -0.080 1
1 293 . 8 1 1 A 31 31 GLU CA C 31 59.392 59.456 -0.064 1
1 294 . 8 1 1 A 31 31 GLU HA H 31 4.151 4.127 0.024 1
1 295 . 8 1 1 A 31 31 GLU CB C 31 29.605 29.086 0.519 1
1 301 . 8 1 1 A 31 31 GLU C C 31 177.520 178.019 -0.499 1
1 302 . 8 1 1 A 32 32 VAL N N 32 108.281 116.944 -8.663 1
1 303 . 8 1 1 A 32 32 VAL H H 32 7.186 7.539 -0.353 1
1 304 . 8 1 1 A 32 32 VAL CA C 32 61.950 63.777 -1.827 1
1 305 . 8 1 1 A 32 32 VAL HA H 32 4.365 4.163 0.202 1
1 306 . 8 1 1 A 32 32 VAL CB C 32 32.222 31.892 0.330 1
1 316 . 8 1 1 A 32 32 VAL C C 32 176.602 176.414 0.188 1
1 317 . 8 1 1 A 33 33 GLU N N 33 120.835 120.332 0.503 1
1 318 . 8 1 1 A 33 33 GLU H H 33 7.751 7.941 -0.190 1
1 319 . 8 1 1 A 33 33 GLU CA C 33 55.560 55.573 -0.013 1
1 320 . 8 1 1 A 33 33 GLU HA H 33 5.106 4.781 0.325 1
1 321 . 8 1 1 A 33 33 GLU CB C 33 31.354 29.821 1.533 1
1 327 . 8 1 1 A 33 33 GLU C C 33 176.180 176.035 0.145 1
1 328 . 8 1 1 A 34 34 LEU N N 34 126.568 124.420 2.148 1
1 329 . 8 1 1 A 34 34 LEU H H 34 9.073 7.459 1.614 1
1 330 . 8 1 1 A 34 34 LEU CA C 34 53.385 56.210 -2.825 1
1 331 . 8 1 1 A 34 34 LEU HA H 34 4.481 4.263 0.218 1
1 332 . 8 1 1 A 34 34 LEU CB C 34 44.305 43.053 1.252 1
1 345 . 8 1 1 A 34 34 LEU C C 34 173.373 175.419 -2.046 1
1 346 . 8 1 1 A 35 35 SER N N 35 116.987 122.825 -5.838 1
1 347 . 8 1 1 A 35 35 SER H H 35 7.561 8.719 -1.158 1
1 348 . 8 1 1 A 35 35 SER CA C 35 58.335 56.986 1.349 1
1 349 . 8 1 1 A 35 35 SER HA H 35 4.569 5.343 -0.774 1
1 350 . 8 1 1 A 35 35 SER CB C 35 64.536 66.810 -2.274 1
1 353 . 8 1 1 A 35 35 SER C C 35 174.513 173.017 1.496 1
1 354 . 8 1 1 A 36 36 PHE N N 36 117.028 119.069 -2.041 1
1 355 . 8 1 1 A 36 36 PHE H H 36 8.339 8.450 -0.111 1
1 356 . 8 1 1 A 36 36 PHE CA C 36 55.938 56.088 -0.150 1
1 357 . 8 1 1 A 36 36 PHE HA H 36 4.647 5.079 -0.432 1
1 358 . 8 1 1 A 36 36 PHE CB C 36 39.959 41.095 -1.136 1
1 371 . 8 1 1 A 36 36 PHE C C 36 174.055 172.201 1.854 1
1 372 . 8 1 1 A 37 37 ARG N N 37 120.296 120.358 -0.062 1
1 373 . 8 1 1 A 37 37 ARG H H 37 9.859 8.598 1.261 1
1 374 . 8 1 1 A 37 37 ARG CA C 37 53.915 55.705 -1.790 1
1 375 . 8 1 1 A 37 37 ARG HA H 37 4.929 4.815 0.114 1
1 376 . 8 1 1 A 37 37 ARG CB C 37 32.735 31.807 0.928 1
1 385 . 8 1 1 A 37 37 ARG C C 37 175.793 176.002 -0.209 1
1 386 . 8 1 1 A 38 38 LYS N N 38 121.649 124.923 -3.274 1
1 387 . 8 1 1 A 38 38 LYS H H 38 7.938 8.758 -0.820 1
1 388 . 8 1 1 A 38 38 LYS CA C 38 58.880 58.334 0.546 1
1 389 . 8 1 1 A 38 38 LYS HA H 38 3.291 4.198 -0.907 1
1 390 . 8 1 1 A 38 38 LYS CB C 38 32.755 32.168 0.587 1
1 402 . 8 1 1 A 38 38 LYS C C 38 176.459 177.348 -0.889 1
1 403 . 8 1 1 A 39 39 GLY N N 39 114.431 115.114 -0.683 1
1 404 . 8 1 1 A 39 39 GLY H H 39 8.618 9.212 -0.594 1
1 405 . 8 1 1 A 39 39 GLY CA C 39 44.652 45.083 -0.431 1
1 406 . 8 1 1 A 39 39 GLY HA2 H 39 3.438 3.995 -0.557 1
1 407 . 8 1 1 A 39 39 GLY HA3 H 39 4.399 4.007 0.392 1
1 408 . 8 1 1 A 39 39 GLY C C 39 174.586 174.400 0.186 1
1 409 . 8 1 1 A 40 40 GLU N N 40 119.554 121.212 -1.658 1
1 410 . 8 1 1 A 40 40 GLU H H 40 7.931 8.102 -0.171 1
1 411 . 8 1 1 A 40 40 GLU CA C 40 59.197 57.170 2.027 1
1 412 . 8 1 1 A 40 40 GLU HA H 40 4.272 4.375 -0.103 1
1 413 . 8 1 1 A 40 40 GLU CB C 40 30.759 30.827 -0.068 1
1 419 . 8 1 1 A 40 40 GLU C C 40 175.278 175.223 0.055 1
1 420 . 8 1 1 A 41 41 HIS N N 41 121.677 119.281 2.396 1
1 421 . 8 1 1 A 41 41 HIS H H 41 8.837 9.132 -0.295 1
1 422 . 8 1 1 A 41 41 HIS CA C 41 56.432 54.664 1.768 1
1 423 . 8 1 1 A 41 41 HIS HA H 41 4.817 5.023 -0.206 1
1 424 . 8 1 1 A 41 41 HIS CB C 41 30.260 32.009 -1.749 1
1 431 . 8 1 1 A 41 41 HIS C C 41 174.622 174.319 0.303 1
1 432 . 8 1 1 A 42 42 ILE N N 42 123.889 122.194 1.695 1
1 433 . 8 1 1 A 42 42 ILE H H 42 8.753 9.013 -0.260 1
1 434 . 8 1 1 A 42 42 ILE CA C 42 60.433 59.532 0.901 1
1 435 . 8 1 1 A 42 42 ILE HA H 42 4.079 4.588 -0.509 1
1 436 . 8 1 1 A 42 42 ILE CB C 42 42.258 41.080 1.178 1
1 449 . 8 1 1 A 42 42 ILE C C 42 174.377 175.063 -0.686 1
1 450 . 8 1 1 A 43 43 CYS N N 43 127.431 127.190 0.241 1
1 451 . 8 1 1 A 43 43 CYS H H 43 8.877 8.428 0.449 1
1 452 . 8 1 1 A 43 43 CYS CA C 43 57.909 57.906 0.003 1
1 453 . 8 1 1 A 43 43 CYS HA H 43 4.654 4.742 -0.088 1
1 454 . 8 1 1 A 43 43 CYS CB C 43 26.650 28.010 -1.360 1
1 457 . 8 1 1 A 43 43 CYS C C 43 174.875 173.492 1.383 1
1 458 . 8 1 1 A 44 44 LEU N N 44 126.732 128.872 -2.140 1
1 459 . 8 1 1 A 44 44 LEU H H 44 7.724 8.238 -0.514 1
1 460 . 8 1 1 A 44 44 LEU CA C 44 53.741 55.068 -1.327 1
1 461 . 8 1 1 A 44 44 LEU HA H 44 4.546 4.528 0.018 1
1 462 . 8 1 1 A 44 44 LEU CB C 44 43.286 40.700 2.586 1
1 475 . 8 1 1 A 44 44 LEU C C 44 175.004 176.202 -1.198 1
1 476 . 8 1 1 A 45 45 ILE N N 45 125.519 127.069 -1.550 1
1 477 . 8 1 1 A 45 45 ILE H H 45 9.058 8.527 0.531 1
1 478 . 8 1 1 A 45 45 ILE CA C 45 63.488 64.075 -0.587 1
1 479 . 8 1 1 A 45 45 ILE HA H 45 4.121 4.325 -0.204 1
1 480 . 8 1 1 A 45 45 ILE CB C 45 39.808 38.355 1.453 1
1 493 . 8 1 1 A 46 46 ARG N N 46 105.448 119.298 -13.850 1
1 494 . 8 1 1 A 46 46 ARG H H 46 7.377 7.976 -0.599 1
1 495 . 8 1 1 A 46 46 ARG CA C 46 54.848 54.831 0.017 1
1 496 . 8 1 1 A 46 46 ARG HA H 46 4.576 4.863 -0.287 1
1 497 . 8 1 1 A 46 46 ARG CB C 46 32.078 32.931 -0.853 1
1 508 . 8 1 1 A 46 46 ARG C C 46 174.353 174.999 -0.646 1
1 509 . 8 1 1 A 47 47 LYS N N 47 124.397 127.906 -3.509 1
1 510 . 8 1 1 A 47 47 LYS H H 47 9.254 8.643 0.611 1
1 511 . 8 1 1 A 47 47 LYS CA C 47 56.832 56.727 0.105 1
1 512 . 8 1 1 A 47 47 LYS HA H 47 4.353 4.473 -0.120 1
1 513 . 8 1 1 A 47 47 LYS CB C 47 32.868 32.972 -0.104 1
1 525 . 8 1 1 A 47 47 LYS C C 47 176.540 176.555 -0.015 1
1 526 . 8 1 1 A 48 48 VAL N N 48 126.203 127.811 -1.608 1
1 527 . 8 1 1 A 48 48 VAL H H 48 8.289 8.728 -0.439 1
1 528 . 8 1 1 A 48 48 VAL CA C 48 63.966 64.713 -0.747 1
1 529 . 8 1 1 A 48 48 VAL HA H 48 3.784 3.792 -0.008 1
1 530 . 8 1 1 A 48 48 VAL CB C 48 33.030 32.033 0.997 1
1 540 . 8 1 1 A 48 48 VAL C C 48 175.547 176.114 -0.567 1
1 541 . 8 1 1 A 49 49 ASN N N 49 115.717 114.602 1.115 1
1 542 . 8 1 1 A 49 49 ASN H H 49 8.167 7.598 0.569 1
1 543 . 8 1 1 A 49 49 ASN CA C 49 52.768 52.000 0.768 1
1 544 . 8 1 1 A 49 49 ASN HA H 49 4.428 4.817 -0.389 1
1 545 . 8 1 1 A 49 49 ASN CB C 49 37.683 40.766 -3.083 1
1 551 . 8 1 1 A 49 49 ASN C C 49 174.537 175.025 -0.488 1
1 552 . 8 1 1 A 50 50 GLU N N 50 114.361 118.117 -3.756 1
1 553 . 8 1 1 A 50 50 GLU H H 50 8.781 8.953 -0.172 1
1 554 . 8 1 1 A 50 50 GLU CA C 50 59.835 58.448 1.387 1
1 555 . 8 1 1 A 50 50 GLU HA H 50 3.947 3.963 -0.016 1
1 556 . 8 1 1 A 50 50 GLU CB C 50 29.534 28.961 0.573 1
1 562 . 8 1 1 A 50 50 GLU C C 50 176.796 177.180 -0.384 1
1 563 . 8 1 1 A 51 51 ASN N N 51 112.673 116.384 -3.711 1
1 564 . 8 1 1 A 51 51 ASN H H 51 8.535 7.833 0.702 1
1 565 . 8 1 1 A 51 51 ASN CA C 51 53.328 54.736 -1.408 1
1 566 . 8 1 1 A 51 51 ASN HA H 51 4.968 4.734 0.234 1
1 567 . 8 1 1 A 51 51 ASN CB C 51 41.171 40.379 0.792 1
1 573 . 8 1 1 A 51 51 ASN C C 51 174.756 175.106 -0.350 1
1 574 . 8 1 1 A 52 52 TRP N N 52 121.399 116.583 4.816 1
1 575 . 8 1 1 A 52 52 TRP H H 52 7.726 8.173 -0.447 1
1 576 . 8 1 1 A 52 52 TRP CA C 52 57.485 55.176 2.309 1
1 577 . 8 1 1 A 52 52 TRP HA H 52 5.072 5.612 -0.540 1
1 578 . 8 1 1 A 52 52 TRP CB C 52 31.703 32.836 -1.133 1
1 593 . 8 1 1 A 52 52 TRP C C 52 174.756 174.741 0.015 1
1 594 . 8 1 1 A 53 53 TYR N N 53 118.564 122.381 -3.817 1
1 595 . 8 1 1 A 53 53 TYR H H 53 8.443 9.279 -0.836 1
1 596 . 8 1 1 A 53 53 TYR CA C 53 57.305 56.243 1.062 1
1 597 . 8 1 1 A 53 53 TYR HA H 53 4.978 4.843 0.135 1
1 598 . 8 1 1 A 53 53 TYR CB C 53 44.030 41.283 2.747 1
1 609 . 8 1 1 A 53 53 TYR C C 53 174.045 173.949 0.096 1
1 610 . 8 1 1 A 54 54 GLU N N 54 117.557 124.423 -6.866 1
1 611 . 8 1 1 A 54 54 GLU H H 54 8.906 8.903 0.003 1
1 612 . 8 1 1 A 54 54 GLU CA C 54 54.986 54.763 0.223 1
1 613 . 8 1 1 A 54 54 GLU HA H 54 5.059 5.124 -0.065 1
1 614 . 8 1 1 A 54 54 GLU CB C 54 32.458 32.153 0.305 1
1 620 . 8 1 1 A 54 54 GLU C C 54 176.438 175.673 0.765 1
1 621 . 8 1 1 A 55 55 GLY N N 55 114.051 112.791 1.260 1
1 622 . 8 1 1 A 55 55 GLY H H 55 9.556 8.663 0.893 1
1 623 . 8 1 1 A 55 55 GLY CA C 55 45.816 46.105 -0.289 1
1 624 . 8 1 1 A 55 55 GLY HA2 H 55 5.166 4.522 0.644 1
1 625 . 8 1 1 A 55 55 GLY HA3 H 55 3.929 4.666 -0.737 1
1 626 . 8 1 1 A 55 55 GLY C C 55 169.584 172.606 -3.022 1
1 627 . 8 1 1 A 56 56 ARG N N 56 116.523 118.149 -1.626 1
1 628 . 8 1 1 A 56 56 ARG H H 56 9.093 8.682 0.411 1
1 629 . 8 1 1 A 56 56 ARG CA C 56 53.977 54.338 -0.361 1
1 630 . 8 1 1 A 56 56 ARG HA H 56 5.528 5.238 0.290 1
1 631 . 8 1 1 A 56 56 ARG CB C 56 34.963 34.060 0.903 1
1 640 . 8 1 1 A 56 56 ARG C C 56 174.325 174.054 0.271 1
1 641 . 8 1 1 A 57 57 ILE N N 57 123.690 123.919 -0.229 1
1 642 . 8 1 1 A 57 57 ILE H H 57 8.230 9.313 -1.083 1
1 643 . 8 1 1 A 57 57 ILE CA C 57 59.706 60.798 -1.092 1
1 644 . 8 1 1 A 57 57 ILE HA H 57 4.585 4.576 0.009 1
1 645 . 8 1 1 A 57 57 ILE CB C 57 35.623 37.952 -2.329 1
1 658 . 8 1 1 A 57 57 ILE C C 57 177.239 175.544 1.695 1
1 659 . 8 1 1 A 58 58 THR N N 58 112.797 123.015 -10.218 1
1 660 . 8 1 1 A 58 58 THR H H 58 8.805 8.590 0.215 1
1 661 . 8 1 1 A 58 58 THR CA C 58 65.598 63.713 1.885 1
1 662 . 8 1 1 A 58 58 THR HA H 58 3.857 4.043 -0.186 1
1 663 . 8 1 1 A 58 58 THR CB C 58 68.553 68.860 -0.307 1
1 669 . 8 1 1 A 59 59 GLY CA C 59 45.463 45.592 -0.129 1
1 670 . 8 1 1 A 59 59 GLY HA2 H 59 3.834 3.970 -0.136 1
1 671 . 8 1 1 A 59 59 GLY HA3 H 59 4.266 3.972 0.294 1
1 672 . 8 1 1 A 59 59 GLY C C 59 174.543 174.652 -0.109 1
1 673 . 8 1 1 A 60 60 THR N N 60 108.632 112.132 -3.500 1
1 674 . 8 1 1 A 60 60 THR H H 60 7.779 7.799 -0.020 1
1 675 . 8 1 1 A 60 60 THR CA C 60 61.017 62.638 -1.621 1
1 676 . 8 1 1 A 60 60 THR HA H 60 4.892 4.493 0.399 1
1 677 . 8 1 1 A 60 60 THR CB C 60 72.426 70.763 1.663 1
1 683 . 8 1 1 A 60 60 THR C C 60 175.144 175.622 -0.478 1
1 684 . 8 1 1 A 61 61 GLY CA C 61 45.320 45.221 0.099 1
1 685 . 8 1 1 A 61 61 GLY HA2 H 61 3.930 4.041 -0.111 1
1 686 . 8 1 1 A 61 61 GLY HA3 H 61 4.183 4.043 0.140 1
1 687 . 8 1 1 A 61 61 GLY C C 61 174.641 174.590 0.051 1
1 688 . 8 1 1 A 62 62 ARG N N 62 121.575 121.438 0.137 1
1 689 . 8 1 1 A 62 62 ARG H H 62 8.229 7.925 0.304 1
1 690 . 8 1 1 A 62 62 ARG CA C 62 56.440 57.247 -0.807 1
1 691 . 8 1 1 A 62 62 ARG HA H 62 4.380 4.322 0.058 1
1 692 . 8 1 1 A 62 62 ARG CB C 62 30.667 31.248 -0.581 1
1 701 . 8 1 1 A 62 62 ARG C C 62 174.530 175.808 -1.278 1
1 702 . 8 1 1 A 63 63 GLN N N 63 124.206 122.740 1.466 1
1 703 . 8 1 1 A 63 63 GLN H H 63 8.473 8.496 -0.023 1
1 704 . 8 1 1 A 63 63 GLN CA C 63 54.768 55.301 -0.533 1
1 705 . 8 1 1 A 63 63 GLN HA H 63 5.449 5.021 0.428 1
1 706 . 8 1 1 A 63 63 GLN CB C 63 32.243 32.212 0.031 1
1 715 . 8 1 1 A 63 63 GLN C C 63 174.555 174.827 -0.272 1
1 716 . 8 1 1 A 64 64 GLY N N 64 111.132 111.897 -0.765 1
1 717 . 8 1 1 A 64 64 GLY H H 64 8.962 8.566 0.396 1
1 718 . 8 1 1 A 64 64 GLY CA C 64 45.780 46.167 -0.387 1
1 719 . 8 1 1 A 64 64 GLY HA2 H 64 4.498 4.295 0.203 1
1 720 . 8 1 1 A 64 64 GLY HA3 H 64 4.351 4.335 0.016 1
1 721 . 8 1 1 A 64 64 GLY C C 64 172.117 172.302 -0.185 1
1 722 . 8 1 1 A 65 65 ILE N N 65 114.051 117.963 -3.912 1
1 723 . 8 1 1 A 65 65 ILE H H 65 8.824 8.635 0.189 1
1 724 . 8 1 1 A 65 65 ILE CA C 65 59.949 59.349 0.600 1
1 725 . 8 1 1 A 65 65 ILE HA H 65 6.195 4.954 1.241 1
1 726 . 8 1 1 A 65 65 ILE CB C 65 41.669 39.897 1.772 1
1 739 . 8 1 1 A 65 65 ILE C C 65 176.874 175.405 1.469 1
1 740 . 8 1 1 A 66 66 PHE N N 66 116.902 118.583 -1.681 1
1 741 . 8 1 1 A 66 66 PHE H H 66 8.770 8.370 0.400 1
1 742 . 8 1 1 A 66 66 PHE CA C 66 56.114 55.276 0.838 1
1 743 . 8 1 1 A 66 66 PHE HA H 66 4.952 4.991 -0.039 1
1 744 . 8 1 1 A 66 66 PHE CB C 66 38.504 39.537 -1.033 1
1 757 . 8 1 1 A 66 66 PHE C C 66 170.992 171.616 -0.624 1
1 758 . 8 1 1 A 67 67 PRO CA C 67 61.161 62.551 -1.390 1
1 759 . 8 1 1 A 67 67 PRO HA H 67 3.678 4.105 -0.427 1
1 760 . 8 1 1 A 67 67 PRO CB C 67 30.788 31.842 -1.054 1
1 769 . 8 1 1 A 67 67 PRO C C 67 177.819 177.488 0.331 1
1 770 . 8 1 1 A 68 68 ALA N N 68 126.195 127.658 -1.463 1
1 771 . 8 1 1 A 68 68 ALA H H 68 8.458 8.918 -0.460 1
1 772 . 8 1 1 A 68 68 ALA CA C 68 54.676 54.200 0.476 1
1 773 . 8 1 1 A 68 68 ALA HA H 68 4.008 4.180 -0.172 1
1 774 . 8 1 1 A 68 68 ALA CB C 68 18.986 18.813 0.173 1
1 778 . 8 1 1 A 68 68 ALA C C 68 178.933 178.520 0.413 1
1 779 . 8 1 1 A 69 69 SER N N 69 110.156 112.536 -2.380 1
1 780 . 8 1 1 A 69 69 SER H H 69 8.370 7.827 0.543 1
1 781 . 8 1 1 A 69 69 SER CA C 69 60.250 59.150 1.100 1
1 782 . 8 1 1 A 69 69 SER HA H 69 4.265 4.372 -0.107 1
1 783 . 8 1 1 A 69 69 SER CB C 69 62.718 62.908 -0.190 1
1 786 . 8 1 1 A 69 69 SER C C 69 175.748 174.740 1.008 1
1 787 . 8 1 1 A 70 70 TYR N N 70 119.475 120.058 -0.583 1
1 788 . 8 1 1 A 70 70 TYR H H 70 7.728 7.853 -0.125 1
1 789 . 8 1 1 A 70 70 TYR CA C 70 60.061 59.044 1.017 1
1 790 . 8 1 1 A 70 70 TYR HA H 70 4.620 4.895 -0.275 1
1 791 . 8 1 1 A 70 70 TYR CB C 70 39.039 40.934 -1.895 1
1 802 . 8 1 1 A 70 70 TYR C C 70 176.140 176.016 0.124 1
1 803 . 8 1 1 A 71 71 VAL N N 71 110.320 114.507 -4.187 1
1 804 . 8 1 1 A 71 71 VAL H H 71 8.064 7.639 0.425 1
1 805 . 8 1 1 A 71 71 VAL CA C 71 58.737 59.240 -0.503 1
1 806 . 8 1 1 A 71 71 VAL HA H 71 5.073 4.845 0.228 1
1 807 . 8 1 1 A 71 71 VAL CB C 71 35.550 34.960 0.590 1
1 817 . 8 1 1 A 71 71 VAL C C 71 173.044 173.712 -0.668 1
1 818 . 8 1 1 A 72 72 GLN N N 72 119.621 121.592 -1.971 1
1 819 . 8 1 1 A 72 72 GLN H H 72 8.448 8.955 -0.507 1
1 820 . 8 1 1 A 72 72 GLN CA C 72 54.351 54.023 0.328 1
1 821 . 8 1 1 A 72 72 GLN HA H 72 4.724 5.079 -0.355 1
1 822 . 8 1 1 A 72 72 GLN CB C 72 30.373 32.096 -1.723 1
1 831 . 8 1 1 A 72 72 GLN C C 72 176.050 173.963 2.087 1
1 832 . 8 1 1 A 73 73 VAL N N 73 130.439 126.926 3.513 1
1 833 . 8 1 1 A 73 73 VAL H H 73 9.369 8.763 0.606 1
1 834 . 8 1 1 A 73 73 VAL CA C 73 63.957 60.339 3.618 1
1 835 . 8 1 1 A 73 73 VAL HA H 73 3.856 4.328 -0.472 1
1 836 . 8 1 1 A 73 73 VAL CB C 73 32.616 32.763 -0.147 1
1 846 . 8 1 1 A 73 73 VAL C C 73 176.043 175.872 0.171 1
1 847 . 8 1 1 A 74 74 SER N N 74 123.766 124.733 -0.967 1
1 848 . 8 1 1 A 74 74 SER H H 74 8.708 8.886 -0.178 1
1 849 . 8 1 1 A 74 74 SER CA C 74 58.930 60.159 -1.229 1
1 850 . 8 1 1 A 74 74 SER HA H 74 4.627 4.464 0.163 1
1 851 . 8 1 1 A 74 74 SER CB C 74 63.548 64.521 -0.973 1
1 854 . 8 1 1 A 74 74 SER C C 74 174.821 174.151 0.670 1
1 855 . 8 1 1 A 75 75 ARG N N 75 122.335 119.734 2.601 1
1 856 . 8 1 1 A 75 75 ARG H H 75 7.690 7.385 0.305 1
1 857 . 8 1 1 A 75 75 ARG CA C 75 56.185 54.891 1.294 1
1 858 . 8 1 1 A 75 75 ARG HA H 75 4.526 4.713 -0.187 1
1 859 . 8 1 1 A 75 75 ARG CB C 75 33.734 31.860 1.874 1
1 868 . 8 1 1 A 75 75 ARG C C 75 174.824 174.873 -0.049 1
1 869 . 8 1 1 A 76 76 GLU N N 76 126.797 126.700 0.097 1
1 870 . 8 1 1 A 76 76 GLU H H 76 8.916 8.503 0.413 1
1 871 . 8 1 1 A 76 76 GLU CA C 76 54.874 55.334 -0.460 1
1 872 . 8 1 1 A 76 76 GLU HA H 76 4.561 4.472 0.089 1
1 873 . 8 1 1 A 76 76 GLU CB C 76 28.925 29.154 -0.229 1
1 879 . 8 1 1 A 76 76 GLU C C 76 175.557 174.840 0.717 1
1 880 . 8 1 1 A 77 77 PRO CA C 77 62.726 62.753 -0.027 1
1 881 . 8 1 1 A 77 77 PRO HA H 77 4.584 4.592 -0.008 1
1 882 . 8 1 1 A 77 77 PRO CB C 77 32.153 32.089 0.064 1
1 891 . 8 1 1 A 78 78 ARG N N 78 120.959 121.704 -0.745 1
1 892 . 8 1 1 A 78 78 ARG H H 78 8.814 8.482 0.332 1
1 893 . 8 1 1 A 78 78 ARG CA C 78 55.491 55.513 -0.022 1
1 894 . 8 1 1 A 78 78 ARG HA H 78 4.743 4.582 0.161 1
1 895 . 8 1 1 A 78 78 ARG CB C 78 33.443 31.106 2.337 1
1 904 . 8 1 1 A 79 79 LEU N N 79 125.756 128.066 -2.310 1
1 905 . 8 1 1 A 79 79 LEU H H 79 8.789 8.744 0.045 1
1 906 . 8 1 1 A 79 79 LEU CA C 79 54.346 54.271 0.075 1
1 907 . 8 1 1 A 79 79 LEU HA H 79 5.007 4.669 0.338 1
1 908 . 8 1 1 A 79 79 LEU CB C 79 44.609 41.910 2.699 1
1 917 . 8 1 1 A 80 80 ARG N N 80 121.792 117.608 4.184 1
1 918 . 8 1 1 A 80 80 ARG H H 80 8.908 8.108 0.800 1
1 919 . 8 1 1 A 80 80 ARG CA C 80 54.966 56.952 -1.986 1
1 920 . 8 1 1 A 80 80 ARG HA H 80 4.611 4.003 0.608 1
1 921 . 8 1 1 A 80 80 ARG CB C 80 32.686 28.006 4.680 1
1 924 . 8 1 1 A 81 81 LEU N N 81 126.556 119.821 6.735 1
1 925 . 8 1 1 A 81 81 LEU H H 81 8.702 7.767 0.935 1
1 926 . 8 1 1 A 81 81 LEU CA C 81 55.199 57.818 -2.619 1
1 927 . 8 1 1 A 81 81 LEU HA H 81 4.472 3.990 0.482 1
1 928 . 8 1 1 A 81 81 LEU CB C 81 42.368 41.566 0.802 1
1 941 . 8 1 1 A 82 82 CYS N N 82 121.583 117.272 4.311 1
1 942 . 8 1 1 A 82 82 CYS H H 82 8.466 7.836 0.630 1
1 943 . 8 1 1 A 82 82 CYS CA C 82 58.583 58.978 -0.395 1
1 944 . 8 1 1 A 82 82 CYS HA H 82 4.475 4.396 0.079 1
1 945 . 8 1 1 A 82 82 CYS CB C 82 28.438 27.670 0.768 1
1 948 . 8 1 1 A 83 83 ASP N N 83 122.639 127.488 -4.849 1
1 949 . 8 1 1 A 83 83 ASP H H 83 8.400 8.726 -0.326 1
1 950 . 8 1 1 A 83 83 ASP CA C 83 54.210 57.518 -3.308 1
1 951 . 8 1 1 A 83 83 ASP HA H 83 4.654 4.325 0.329 1
1 952 . 8 1 1 A 83 83 ASP CB C 83 41.291 41.009 0.282 1
1 955 . 8 1 1 A 83 83 ASP C C 83 175.900 176.006 -0.106 1
1 956 . 8 1 1 A 84 84 ASP N N 84 121.113 115.768 5.345 1
1 957 . 8 1 1 A 84 84 ASP H H 84 8.310 7.755 0.555 1
1 958 . 8 1 1 A 84 84 ASP CA C 84 54.330 52.316 2.014 1
1 959 . 8 1 1 A 84 84 ASP HA H 84 4.650 5.180 -0.530 1
1 960 . 8 1 1 A 84 84 ASP CB C 84 41.283 43.837 -2.554 1
1 963 . 8 1 1 A 84 84 ASP C C 84 176.407 174.399 2.008 1
1 964 . 8 1 1 A 85 85 SER N N 85 116.212 119.403 -3.191 1
1 965 . 8 1 1 A 85 85 SER H H 85 8.332 8.709 -0.377 1
1 966 . 8 1 1 A 85 85 SER CA C 85 58.819 57.369 1.450 1
1 967 . 8 1 1 A 85 85 SER HA H 85 4.438 5.185 -0.747 1
1 968 . 8 1 1 A 85 85 SER CB C 85 63.961 64.606 -0.645 1
1 971 . 8 1 1 A 85 85 SER C C 85 174.867 174.349 0.518 1
1 972 . 8 1 1 A 86 86 GLY N N 86 110.652 111.719 -1.067 1
1 973 . 8 1 1 A 86 86 GLY H H 86 8.251 8.253 -0.002 1
1 974 . 8 1 1 A 86 86 GLY CA C 86 44.758 46.166 -1.408 1
1 975 . 8 1 1 A 86 86 GLY HA2 H 86 4.109 4.151 -0.042 1
1 976 . 8 1 1 A 86 86 GLY HA3 H 86 4.109 4.151 -0.042 1
1 977 . 8 1 1 A 86 86 GLY C C 86 171.914 174.037 -2.123 1
1 978 . 8 1 1 A 87 87 PRO CA C 87 63.192 64.566 -1.374 1
1 979 . 8 1 1 A 87 87 PRO HA H 87 4.484 4.391 0.093 1
1 980 . 8 1 1 A 87 87 PRO CB C 87 32.243 31.486 0.757 1
1 989 . 8 1 1 A 87 87 PRO C C 87 177.470 176.446 1.024 1
1 990 . 8 1 1 A 88 88 SER N N 88 116.433 115.562 0.871 1
1 991 . 8 1 1 A 88 88 SER H H 88 8.518 7.873 0.645 1
1 992 . 8 1 1 A 88 88 SER CA C 88 58.330 59.619 -1.289 1
1 993 . 8 1 1 A 88 88 SER HA H 88 4.571 4.506 0.065 1
1 994 . 8 1 1 A 88 88 SER CB C 88 63.896 64.062 -0.166 1
1 997 . 8 1 1 A 88 88 SER C C 88 174.747 174.275 0.472 1
1 998 . 8 1 1 A 89 89 SER N N 89 117.882 117.166 0.716 1
1 999 . 8 1 1 A 89 89 SER H H 89 8.335 8.498 -0.163 1
1 1000 . 8 1 1 A 89 89 SER CA C 89 58.497 58.393 0.104 1
1 1001 . 8 1 1 A 89 89 SER CB C 89 64.209 64.023 0.186 1
1 1004 . 8 1 1 A 89 89 SER C C 89 174.100 174.970 -0.870 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.146 45.670 -0.524 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.966 3.994 -0.028 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.966 3.995 -0.029 1
1 4 . 9 1 1 A 7 7 GLY C C 7 173.687 172.877 0.810 1
1 5 . 9 1 1 A 8 8 LYS N N 8 122.140 120.192 1.948 1
1 6 . 9 1 1 A 8 8 LYS H H 8 8.107 8.915 -0.808 1
1 7 . 9 1 1 A 8 8 LYS CA C 8 54.053 53.391 0.662 1
1 8 . 9 1 1 A 8 8 LYS HA H 8 4.620 5.060 -0.440 1
1 9 . 9 1 1 A 8 8 LYS CB C 8 32.649 35.484 -2.835 1
1 21 . 9 1 1 A 8 8 LYS C C 8 174.270 174.342 -0.072 1
1 22 . 9 1 1 A 9 9 PRO CA C 9 61.632 61.691 -0.059 1
1 23 . 9 1 1 A 9 9 PRO HA H 9 4.687 4.675 0.012 1
1 24 . 9 1 1 A 9 9 PRO CB C 9 30.855 32.292 -1.437 1
1 33 . 9 1 1 A 10 10 PRO CA C 10 62.942 65.075 -2.133 1
1 34 . 9 1 1 A 10 10 PRO HA H 10 4.473 4.341 0.132 1
1 35 . 9 1 1 A 10 10 PRO CB C 10 32.197 32.148 0.049 1
1 44 . 9 1 1 A 11 11 THR N N 11 128.434 109.457 18.977 1
1 45 . 9 1 1 A 11 11 THR H H 11 8.172 7.895 0.277 1
1 46 . 9 1 1 A 11 11 THR CA C 11 61.644 63.220 -1.576 1
1 47 . 9 1 1 A 11 11 THR HA H 11 4.357 4.523 -0.166 1
1 48 . 9 1 1 A 11 11 THR CB C 11 70.204 71.164 -0.960 1
1 54 . 9 1 1 A 12 12 TYR N N 12 120.312 115.711 4.601 1
1 55 . 9 1 1 A 12 12 TYR H H 12 8.033 7.561 0.472 1
1 56 . 9 1 1 A 12 12 TYR CA C 12 56.633 57.031 -0.398 1
1 57 . 9 1 1 A 12 12 TYR HA H 12 4.967 4.870 0.097 1
1 58 . 9 1 1 A 12 12 TYR CB C 12 40.403 40.462 -0.059 1
1 69 . 9 1 1 A 13 13 GLN H H 13 8.634 8.625 0.009 1
1 70 . 9 1 1 A 13 13 GLN CA C 13 54.519 56.867 -2.348 1
1 71 . 9 1 1 A 13 13 GLN HA H 13 4.626 4.125 0.501 1
1 72 . 9 1 1 A 13 13 GLN CB C 13 31.183 29.341 1.842 1
1 81 . 9 1 1 A 14 14 VAL N N 14 124.270 120.392 3.878 1
1 82 . 9 1 1 A 14 14 VAL H H 14 8.773 8.589 0.184 1
1 83 . 9 1 1 A 14 14 VAL CA C 14 62.977 61.456 1.521 1
1 84 . 9 1 1 A 14 14 VAL HA H 14 4.018 4.172 -0.154 1
1 85 . 9 1 1 A 14 14 VAL CB C 14 32.909 30.989 1.920 1
1 95 . 9 1 1 A 15 15 LEU N N 15 128.403 126.041 2.362 1
1 96 . 9 1 1 A 15 15 LEU H H 15 8.726 7.926 0.800 1
1 97 . 9 1 1 A 15 15 LEU CA C 15 55.620 55.886 -0.266 1
1 98 . 9 1 1 A 15 15 LEU HA H 15 4.412 4.161 0.251 1
1 99 . 9 1 1 A 15 15 LEU CB C 15 42.580 41.976 0.604 1
1 112 . 9 1 1 A 16 16 GLU H H 16 8.687 8.948 -0.261 1
1 113 . 9 1 1 A 16 16 GLU CA C 16 55.492 57.813 -2.321 1
1 114 . 9 1 1 A 16 16 GLU HA H 16 4.401 4.381 0.020 1
1 115 . 9 1 1 A 16 16 GLU CB C 16 32.409 30.553 1.856 1
1 120 . 9 1 1 A 17 17 TYR N N 17 124.726 117.612 7.114 1
1 121 . 9 1 1 A 17 17 TYR H H 17 8.505 7.960 0.545 1
1 122 . 9 1 1 A 17 17 TYR CA C 17 58.490 57.246 1.244 1
1 123 . 9 1 1 A 17 17 TYR HA H 17 4.598 4.519 0.079 1
1 124 . 9 1 1 A 17 17 TYR CB C 17 38.814 39.371 -0.557 1
1 135 . 9 1 1 A 18 18 GLY N N 18 106.652 111.114 -4.462 1
1 136 . 9 1 1 A 18 18 GLY H H 18 9.176 8.291 0.885 1
1 137 . 9 1 1 A 18 18 GLY CA C 18 43.947 44.525 -0.578 1
1 138 . 9 1 1 A 18 18 GLY HA2 H 18 3.646 4.062 -0.416 1
1 139 . 9 1 1 A 18 18 GLY HA3 H 18 4.287 4.067 0.220 1
1 140 . 9 1 1 A 19 19 GLU N N 19 122.571 121.234 1.337 1
1 141 . 9 1 1 A 19 19 GLU H H 19 9.450 8.658 0.792 1
1 142 . 9 1 1 A 19 19 GLU CA C 19 56.496 55.174 1.322 1
1 143 . 9 1 1 A 19 19 GLU HA H 19 5.218 5.305 -0.087 1
1 144 . 9 1 1 A 19 19 GLU CB C 19 34.419 33.419 1.000 1
1 149 . 9 1 1 A 19 19 GLU C C 19 173.496 175.166 -1.670 1
1 150 . 9 1 1 A 20 20 ALA N N 20 125.442 127.860 -2.418 1
1 151 . 9 1 1 A 20 20 ALA H H 20 8.813 8.757 0.056 1
1 152 . 9 1 1 A 20 20 ALA CA C 20 50.154 50.588 -0.434 1
1 153 . 9 1 1 A 20 20 ALA HA H 20 5.132 5.225 -0.093 1
1 154 . 9 1 1 A 20 20 ALA CB C 20 24.742 23.385 1.357 1
1 158 . 9 1 1 A 20 20 ALA C C 20 174.555 175.235 -0.680 1
1 159 . 9 1 1 A 21 21 VAL N N 21 117.729 119.793 -2.064 1
1 160 . 9 1 1 A 21 21 VAL H H 21 8.118 8.597 -0.479 1
1 161 . 9 1 1 A 21 21 VAL CA C 21 60.211 60.366 -0.155 1
1 162 . 9 1 1 A 21 21 VAL HA H 21 4.478 4.282 0.196 1
1 163 . 9 1 1 A 21 21 VAL CB C 21 34.751 35.076 -0.325 1
1 173 . 9 1 1 A 21 21 VAL C C 21 176.351 175.146 1.205 1
1 174 . 9 1 1 A 22 22 ALA N N 22 130.024 130.066 -0.042 1
1 175 . 9 1 1 A 22 22 ALA H H 22 8.689 8.299 0.390 1
1 176 . 9 1 1 A 22 22 ALA CA C 22 53.496 53.096 0.400 1
1 177 . 9 1 1 A 22 22 ALA HA H 22 4.170 4.214 -0.044 1
1 178 . 9 1 1 A 22 22 ALA CB C 22 20.793 19.267 1.526 1
1 182 . 9 1 1 A 22 22 ALA C C 22 178.156 176.519 1.637 1
1 183 . 9 1 1 A 23 23 GLN N N 23 126.904 122.163 4.741 1
1 184 . 9 1 1 A 23 23 GLN H H 23 9.442 8.561 0.881 1
1 185 . 9 1 1 A 23 23 GLN CA C 23 55.611 57.010 -1.399 1
1 186 . 9 1 1 A 23 23 GLN HA H 23 4.202 4.474 -0.272 1
1 187 . 9 1 1 A 23 23 GLN CB C 23 30.345 30.748 -0.403 1
1 196 . 9 1 1 A 23 23 GLN C C 23 173.200 175.520 -2.320 1
1 197 . 9 1 1 A 24 24 TYR N N 24 115.157 116.329 -1.172 1
1 198 . 9 1 1 A 24 24 TYR H H 24 7.696 7.763 -0.067 1
1 199 . 9 1 1 A 24 24 TYR CA C 24 55.303 56.652 -1.349 1
1 200 . 9 1 1 A 24 24 TYR HA H 24 4.847 5.238 -0.391 1
1 201 . 9 1 1 A 24 24 TYR CB C 24 43.087 41.636 1.451 1
1 212 . 9 1 1 A 24 24 TYR C C 24 173.829 175.908 -2.079 1
1 213 . 9 1 1 A 25 25 THR N N 25 118.997 119.648 -0.651 1
1 214 . 9 1 1 A 25 25 THR H H 25 8.697 8.981 -0.284 1
1 215 . 9 1 1 A 25 25 THR CA C 25 63.201 63.632 -0.431 1
1 216 . 9 1 1 A 25 25 THR HA H 25 4.483 4.375 0.108 1
1 217 . 9 1 1 A 25 25 THR CB C 25 70.228 69.000 1.228 1
1 223 . 9 1 1 A 25 25 THR C C 25 173.214 173.875 -0.661 1
1 224 . 9 1 1 A 26 26 PHE N N 26 129.691 126.900 2.791 1
1 225 . 9 1 1 A 26 26 PHE H H 26 8.460 8.218 0.242 1
1 226 . 9 1 1 A 26 26 PHE CA C 26 55.887 56.602 -0.715 1
1 227 . 9 1 1 A 26 26 PHE HA H 26 4.631 5.173 -0.542 1
1 228 . 9 1 1 A 26 26 PHE CB C 26 42.134 41.971 0.163 1
1 241 . 9 1 1 A 26 26 PHE C C 26 173.089 173.808 -0.719 1
1 242 . 9 1 1 A 27 27 LYS N N 27 129.755 126.351 3.404 1
1 243 . 9 1 1 A 27 27 LYS H H 27 7.879 7.806 0.073 1
1 244 . 9 1 1 A 27 27 LYS CA C 27 54.562 54.459 0.103 1
1 245 . 9 1 1 A 27 27 LYS HA H 27 4.023 4.997 -0.974 1
1 246 . 9 1 1 A 27 27 LYS CB C 27 32.490 34.934 -2.444 1
1 258 . 9 1 1 A 27 27 LYS C C 27 174.852 175.342 -0.490 1
1 259 . 9 1 1 A 28 28 GLY N N 28 113.171 113.751 -0.580 1
1 260 . 9 1 1 A 28 28 GLY H H 28 7.726 8.709 -0.983 1
1 261 . 9 1 1 A 28 28 GLY CA C 28 45.922 44.723 1.199 1
1 262 . 9 1 1 A 28 28 GLY HA2 H 28 3.151 4.483 -1.332 1
1 263 . 9 1 1 A 28 28 GLY HA3 H 28 3.619 4.718 -1.099 1
1 264 . 9 1 1 A 28 28 GLY C C 28 173.250 173.740 -0.490 1
1 265 . 9 1 1 A 29 29 ASP N N 29 121.578 121.428 0.150 1
1 266 . 9 1 1 A 29 29 ASP H H 29 8.743 8.738 0.005 1
1 267 . 9 1 1 A 29 29 ASP CA C 29 55.162 55.481 -0.319 1
1 268 . 9 1 1 A 29 29 ASP HA H 29 4.616 4.754 -0.138 1
1 269 . 9 1 1 A 29 29 ASP CB C 29 42.815 42.148 0.667 1
1 272 . 9 1 1 A 29 29 ASP C C 29 176.583 176.304 0.279 1
1 273 . 9 1 1 A 30 30 LEU N N 30 119.139 120.466 -1.327 1
1 274 . 9 1 1 A 30 30 LEU H H 30 8.069 7.713 0.356 1
1 275 . 9 1 1 A 30 30 LEU CA C 30 54.174 55.168 -0.994 1
1 276 . 9 1 1 A 30 30 LEU HA H 30 4.585 4.259 0.326 1
1 277 . 9 1 1 A 30 30 LEU CB C 30 44.109 42.203 1.906 1
1 290 . 9 1 1 A 30 30 LEU C C 30 179.241 177.903 1.338 1
1 291 . 9 1 1 A 31 31 GLU N N 31 122.182 124.656 -2.474 1
1 292 . 9 1 1 A 31 31 GLU H H 31 8.905 9.108 -0.203 1
1 293 . 9 1 1 A 31 31 GLU CA C 31 59.392 60.273 -0.881 1
1 294 . 9 1 1 A 31 31 GLU HA H 31 4.151 3.898 0.253 1
1 295 . 9 1 1 A 31 31 GLU CB C 31 29.605 29.839 -0.234 1
1 301 . 9 1 1 A 31 31 GLU C C 31 177.520 178.197 -0.677 1
1 302 . 9 1 1 A 32 32 VAL N N 32 108.281 117.882 -9.601 1
1 303 . 9 1 1 A 32 32 VAL H H 32 7.186 7.889 -0.703 1
1 304 . 9 1 1 A 32 32 VAL CA C 32 61.950 65.367 -3.417 1
1 305 . 9 1 1 A 32 32 VAL HA H 32 4.365 3.844 0.521 1
1 306 . 9 1 1 A 32 32 VAL CB C 32 32.222 31.393 0.829 1
1 316 . 9 1 1 A 32 32 VAL C C 32 176.602 176.679 -0.077 1
1 317 . 9 1 1 A 33 33 GLU N N 33 120.835 121.971 -1.136 1
1 318 . 9 1 1 A 33 33 GLU H H 33 7.751 7.958 -0.207 1
1 319 . 9 1 1 A 33 33 GLU CA C 33 55.560 56.397 -0.837 1
1 320 . 9 1 1 A 33 33 GLU HA H 33 5.106 4.523 0.583 1
1 321 . 9 1 1 A 33 33 GLU CB C 33 31.354 29.925 1.429 1
1 327 . 9 1 1 A 33 33 GLU C C 33 176.180 175.916 0.264 1
1 328 . 9 1 1 A 34 34 LEU N N 34 126.568 128.487 -1.919 1
1 329 . 9 1 1 A 34 34 LEU H H 34 9.073 8.816 0.257 1
1 330 . 9 1 1 A 34 34 LEU CA C 34 53.385 54.356 -0.971 1
1 331 . 9 1 1 A 34 34 LEU HA H 34 4.481 4.908 -0.427 1
1 332 . 9 1 1 A 34 34 LEU CB C 34 44.305 43.912 0.393 1
1 345 . 9 1 1 A 34 34 LEU C C 34 173.373 174.881 -1.508 1
1 346 . 9 1 1 A 35 35 SER N N 35 116.987 124.744 -7.757 1
1 347 . 9 1 1 A 35 35 SER H H 35 7.561 8.742 -1.181 1
1 348 . 9 1 1 A 35 35 SER CA C 35 58.335 57.600 0.735 1
1 349 . 9 1 1 A 35 35 SER HA H 35 4.569 5.212 -0.643 1
1 350 . 9 1 1 A 35 35 SER CB C 35 64.536 64.864 -0.328 1
1 353 . 9 1 1 A 35 35 SER C C 35 174.513 173.527 0.986 1
1 354 . 9 1 1 A 36 36 PHE N N 36 117.028 119.949 -2.921 1
1 355 . 9 1 1 A 36 36 PHE H H 36 8.339 8.441 -0.102 1
1 356 . 9 1 1 A 36 36 PHE CA C 36 55.938 55.996 -0.058 1
1 357 . 9 1 1 A 36 36 PHE HA H 36 4.647 5.109 -0.462 1
1 358 . 9 1 1 A 36 36 PHE CB C 36 39.959 41.116 -1.157 1
1 371 . 9 1 1 A 36 36 PHE C C 36 174.055 172.367 1.688 1
1 372 . 9 1 1 A 37 37 ARG N N 37 120.296 120.186 0.110 1
1 373 . 9 1 1 A 37 37 ARG H H 37 9.859 8.472 1.387 1
1 374 . 9 1 1 A 37 37 ARG CA C 37 53.915 54.490 -0.575 1
1 375 . 9 1 1 A 37 37 ARG HA H 37 4.929 4.831 0.098 1
1 376 . 9 1 1 A 37 37 ARG CB C 37 32.735 32.520 0.215 1
1 385 . 9 1 1 A 37 37 ARG C C 37 175.793 175.786 0.007 1
1 386 . 9 1 1 A 38 38 LYS N N 38 121.649 124.693 -3.044 1
1 387 . 9 1 1 A 38 38 LYS H H 38 7.938 8.712 -0.774 1
1 388 . 9 1 1 A 38 38 LYS CA C 38 58.880 58.371 0.509 1
1 389 . 9 1 1 A 38 38 LYS HA H 38 3.291 3.996 -0.705 1
1 390 . 9 1 1 A 38 38 LYS CB C 38 32.755 32.168 0.587 1
1 402 . 9 1 1 A 38 38 LYS C C 38 176.459 177.437 -0.978 1
1 403 . 9 1 1 A 39 39 GLY N N 39 114.431 115.010 -0.579 1
1 404 . 9 1 1 A 39 39 GLY H H 39 8.618 8.995 -0.377 1
1 405 . 9 1 1 A 39 39 GLY CA C 39 44.652 45.047 -0.395 1
1 406 . 9 1 1 A 39 39 GLY HA2 H 39 3.438 4.004 -0.566 1
1 407 . 9 1 1 A 39 39 GLY HA3 H 39 4.399 4.013 0.386 1
1 408 . 9 1 1 A 39 39 GLY C C 39 174.586 174.390 0.196 1
1 409 . 9 1 1 A 40 40 GLU N N 40 119.554 121.394 -1.840 1
1 410 . 9 1 1 A 40 40 GLU H H 40 7.931 7.954 -0.023 1
1 411 . 9 1 1 A 40 40 GLU CA C 40 59.197 57.556 1.641 1
1 412 . 9 1 1 A 40 40 GLU HA H 40 4.272 4.353 -0.081 1
1 413 . 9 1 1 A 40 40 GLU CB C 40 30.759 30.750 0.009 1
1 419 . 9 1 1 A 40 40 GLU C C 40 175.278 175.333 -0.055 1
1 420 . 9 1 1 A 41 41 HIS N N 41 121.677 119.949 1.728 1
1 421 . 9 1 1 A 41 41 HIS H H 41 8.837 9.031 -0.194 1
1 422 . 9 1 1 A 41 41 HIS CA C 41 56.432 54.468 1.964 1
1 423 . 9 1 1 A 41 41 HIS HA H 41 4.817 5.070 -0.253 1
1 424 . 9 1 1 A 41 41 HIS CB C 41 30.260 30.989 -0.729 1
1 431 . 9 1 1 A 41 41 HIS C C 41 174.622 174.179 0.443 1
1 432 . 9 1 1 A 42 42 ILE N N 42 123.889 125.069 -1.180 1
1 433 . 9 1 1 A 42 42 ILE H H 42 8.753 8.790 -0.037 1
1 434 . 9 1 1 A 42 42 ILE CA C 42 60.433 60.396 0.037 1
1 435 . 9 1 1 A 42 42 ILE HA H 42 4.079 4.257 -0.178 1
1 436 . 9 1 1 A 42 42 ILE CB C 42 42.258 38.172 4.086 1
1 449 . 9 1 1 A 42 42 ILE C C 42 174.377 174.728 -0.351 1
1 450 . 9 1 1 A 43 43 CYS N N 43 127.431 127.511 -0.080 1
1 451 . 9 1 1 A 43 43 CYS H H 43 8.877 8.769 0.108 1
1 452 . 9 1 1 A 43 43 CYS CA C 43 57.909 58.423 -0.514 1
1 453 . 9 1 1 A 43 43 CYS HA H 43 4.654 4.804 -0.150 1
1 454 . 9 1 1 A 43 43 CYS CB C 43 26.650 28.182 -1.532 1
1 457 . 9 1 1 A 43 43 CYS C C 43 174.875 173.577 1.298 1
1 458 . 9 1 1 A 44 44 LEU N N 44 126.732 129.173 -2.441 1
1 459 . 9 1 1 A 44 44 LEU H H 44 7.724 8.761 -1.037 1
1 460 . 9 1 1 A 44 44 LEU CA C 44 53.741 54.824 -1.083 1
1 461 . 9 1 1 A 44 44 LEU HA H 44 4.546 4.371 0.175 1
1 462 . 9 1 1 A 44 44 LEU CB C 44 43.286 40.714 2.572 1
1 475 . 9 1 1 A 44 44 LEU C C 44 175.004 176.255 -1.251 1
1 476 . 9 1 1 A 45 45 ILE N N 45 125.519 126.942 -1.423 1
1 477 . 9 1 1 A 45 45 ILE H H 45 9.058 8.591 0.467 1
1 478 . 9 1 1 A 45 45 ILE CA C 45 63.488 63.353 0.135 1
1 479 . 9 1 1 A 45 45 ILE HA H 45 4.121 4.303 -0.182 1
1 480 . 9 1 1 A 45 45 ILE CB C 45 39.808 38.265 1.543 1
1 493 . 9 1 1 A 46 46 ARG N N 46 105.448 120.055 -14.607 1
1 494 . 9 1 1 A 46 46 ARG H H 46 7.377 7.534 -0.157 1
1 495 . 9 1 1 A 46 46 ARG CA C 46 54.848 54.540 0.308 1
1 496 . 9 1 1 A 46 46 ARG HA H 46 4.576 4.591 -0.015 1
1 497 . 9 1 1 A 46 46 ARG CB C 46 32.078 32.292 -0.214 1
1 508 . 9 1 1 A 46 46 ARG C C 46 174.353 175.114 -0.761 1
1 509 . 9 1 1 A 47 47 LYS N N 47 124.397 126.943 -2.546 1
1 510 . 9 1 1 A 47 47 LYS H H 47 9.254 8.574 0.680 1
1 511 . 9 1 1 A 47 47 LYS CA C 47 56.832 56.500 0.332 1
1 512 . 9 1 1 A 47 47 LYS HA H 47 4.353 4.468 -0.115 1
1 513 . 9 1 1 A 47 47 LYS CB C 47 32.868 32.868 0.000 1
1 525 . 9 1 1 A 47 47 LYS C C 47 176.540 176.728 -0.188 1
1 526 . 9 1 1 A 48 48 VAL N N 48 126.203 126.971 -0.768 1
1 527 . 9 1 1 A 48 48 VAL H H 48 8.289 8.406 -0.117 1
1 528 . 9 1 1 A 48 48 VAL CA C 48 63.966 65.979 -2.013 1
1 529 . 9 1 1 A 48 48 VAL HA H 48 3.784 3.550 0.234 1
1 530 . 9 1 1 A 48 48 VAL CB C 48 33.030 32.020 1.010 1
1 540 . 9 1 1 A 48 48 VAL C C 48 175.547 176.348 -0.801 1
1 541 . 9 1 1 A 49 49 ASN N N 49 115.717 116.008 -0.291 1
1 542 . 9 1 1 A 49 49 ASN H H 49 8.167 7.728 0.439 1
1 543 . 9 1 1 A 49 49 ASN CA C 49 52.768 51.565 1.203 1
1 544 . 9 1 1 A 49 49 ASN HA H 49 4.428 4.983 -0.555 1
1 545 . 9 1 1 A 49 49 ASN CB C 49 37.683 42.179 -4.496 1
1 551 . 9 1 1 A 49 49 ASN C C 49 174.537 175.422 -0.885 1
1 552 . 9 1 1 A 50 50 GLU N N 50 114.361 120.716 -6.355 1
1 553 . 9 1 1 A 50 50 GLU H H 50 8.781 9.109 -0.328 1
1 554 . 9 1 1 A 50 50 GLU CA C 50 59.835 58.889 0.946 1
1 555 . 9 1 1 A 50 50 GLU HA H 50 3.947 4.085 -0.138 1
1 556 . 9 1 1 A 50 50 GLU CB C 50 29.534 29.015 0.519 1
1 562 . 9 1 1 A 50 50 GLU C C 50 176.796 177.399 -0.603 1
1 563 . 9 1 1 A 51 51 ASN N N 51 112.673 115.765 -3.092 1
1 564 . 9 1 1 A 51 51 ASN H H 51 8.535 7.651 0.884 1
1 565 . 9 1 1 A 51 51 ASN CA C 51 53.328 54.752 -1.424 1
1 566 . 9 1 1 A 51 51 ASN HA H 51 4.968 4.814 0.154 1
1 567 . 9 1 1 A 51 51 ASN CB C 51 41.171 40.275 0.896 1
1 573 . 9 1 1 A 51 51 ASN C C 51 174.756 175.382 -0.626 1
1 574 . 9 1 1 A 52 52 TRP N N 52 121.399 117.782 3.617 1
1 575 . 9 1 1 A 52 52 TRP H H 52 7.726 7.787 -0.061 1
1 576 . 9 1 1 A 52 52 TRP CA C 52 57.485 57.650 -0.165 1
1 577 . 9 1 1 A 52 52 TRP HA H 52 5.072 4.727 0.345 1
1 578 . 9 1 1 A 52 52 TRP CB C 52 31.703 30.834 0.869 1
1 593 . 9 1 1 A 52 52 TRP C C 52 174.756 175.919 -1.163 1
1 594 . 9 1 1 A 53 53 TYR N N 53 118.564 119.326 -0.762 1
1 595 . 9 1 1 A 53 53 TYR H H 53 8.443 8.596 -0.153 1
1 596 . 9 1 1 A 53 53 TYR CA C 53 57.305 55.954 1.351 1
1 597 . 9 1 1 A 53 53 TYR HA H 53 4.978 4.763 0.215 1
1 598 . 9 1 1 A 53 53 TYR CB C 53 44.030 42.217 1.813 1
1 609 . 9 1 1 A 53 53 TYR C C 53 174.045 173.884 0.161 1
1 610 . 9 1 1 A 54 54 GLU N N 54 117.557 123.975 -6.418 1
1 611 . 9 1 1 A 54 54 GLU H H 54 8.906 8.534 0.372 1
1 612 . 9 1 1 A 54 54 GLU CA C 54 54.986 55.723 -0.737 1
1 613 . 9 1 1 A 54 54 GLU HA H 54 5.059 5.131 -0.072 1
1 614 . 9 1 1 A 54 54 GLU CB C 54 32.458 30.822 1.636 1
1 620 . 9 1 1 A 54 54 GLU C C 54 176.438 175.890 0.548 1
1 621 . 9 1 1 A 55 55 GLY N N 55 114.051 113.201 0.850 1
1 622 . 9 1 1 A 55 55 GLY H H 55 9.556 8.768 0.788 1
1 623 . 9 1 1 A 55 55 GLY CA C 55 45.816 45.105 0.711 1
1 624 . 9 1 1 A 55 55 GLY HA2 H 55 5.166 4.368 0.798 1
1 625 . 9 1 1 A 55 55 GLY HA3 H 55 3.929 4.563 -0.634 1
1 626 . 9 1 1 A 55 55 GLY C C 55 169.584 173.028 -3.444 1
1 627 . 9 1 1 A 56 56 ARG N N 56 116.523 118.307 -1.784 1
1 628 . 9 1 1 A 56 56 ARG H H 56 9.093 8.828 0.265 1
1 629 . 9 1 1 A 56 56 ARG CA C 56 53.977 54.403 -0.426 1
1 630 . 9 1 1 A 56 56 ARG HA H 56 5.528 5.134 0.394 1
1 631 . 9 1 1 A 56 56 ARG CB C 56 34.963 34.303 0.660 1
1 640 . 9 1 1 A 56 56 ARG C C 56 174.325 174.182 0.143 1
1 641 . 9 1 1 A 57 57 ILE N N 57 123.690 122.451 1.239 1
1 642 . 9 1 1 A 57 57 ILE H H 57 8.230 8.588 -0.358 1
1 643 . 9 1 1 A 57 57 ILE CA C 57 59.706 60.728 -1.022 1
1 644 . 9 1 1 A 57 57 ILE HA H 57 4.585 4.531 0.054 1
1 645 . 9 1 1 A 57 57 ILE CB C 57 35.623 38.019 -2.396 1
1 658 . 9 1 1 A 57 57 ILE C C 57 177.239 175.573 1.666 1
1 659 . 9 1 1 A 58 58 THR N N 58 112.797 123.332 -10.535 1
1 660 . 9 1 1 A 58 58 THR H H 58 8.805 8.577 0.228 1
1 661 . 9 1 1 A 58 58 THR CA C 58 65.598 63.624 1.974 1
1 662 . 9 1 1 A 58 58 THR HA H 58 3.857 4.113 -0.256 1
1 663 . 9 1 1 A 58 58 THR CB C 58 68.553 68.498 0.055 1
1 669 . 9 1 1 A 59 59 GLY CA C 59 45.463 45.227 0.236 1
1 670 . 9 1 1 A 59 59 GLY HA2 H 59 3.834 4.004 -0.170 1
1 671 . 9 1 1 A 59 59 GLY HA3 H 59 4.266 4.005 0.261 1
1 672 . 9 1 1 A 59 59 GLY C C 59 174.543 173.815 0.728 1
1 673 . 9 1 1 A 60 60 THR N N 60 108.632 111.400 -2.768 1
1 674 . 9 1 1 A 60 60 THR H H 60 7.779 8.018 -0.239 1
1 675 . 9 1 1 A 60 60 THR CA C 60 61.017 59.365 1.652 1
1 676 . 9 1 1 A 60 60 THR HA H 60 4.892 4.691 0.201 1
1 677 . 9 1 1 A 60 60 THR CB C 60 72.426 71.839 0.587 1
1 683 . 9 1 1 A 60 60 THR C C 60 175.144 175.775 -0.631 1
1 684 . 9 1 1 A 61 61 GLY CA C 61 45.320 47.356 -2.036 1
1 685 . 9 1 1 A 61 61 GLY HA2 H 61 3.930 3.872 0.058 1
1 686 . 9 1 1 A 61 61 GLY HA3 H 61 4.183 3.874 0.309 1
1 687 . 9 1 1 A 61 61 GLY C C 61 174.641 175.128 -0.487 1
1 688 . 9 1 1 A 62 62 ARG N N 62 121.575 121.056 0.519 1
1 689 . 9 1 1 A 62 62 ARG H H 62 8.229 7.799 0.430 1
1 690 . 9 1 1 A 62 62 ARG CA C 62 56.440 57.149 -0.709 1
1 691 . 9 1 1 A 62 62 ARG HA H 62 4.380 4.264 0.116 1
1 692 . 9 1 1 A 62 62 ARG CB C 62 30.667 31.046 -0.379 1
1 701 . 9 1 1 A 62 62 ARG C C 62 174.530 176.094 -1.564 1
1 702 . 9 1 1 A 63 63 GLN N N 63 124.206 123.549 0.657 1
1 703 . 9 1 1 A 63 63 GLN H H 63 8.473 8.577 -0.104 1
1 704 . 9 1 1 A 63 63 GLN CA C 63 54.768 55.398 -0.630 1
1 705 . 9 1 1 A 63 63 GLN HA H 63 5.449 4.819 0.630 1
1 706 . 9 1 1 A 63 63 GLN CB C 63 32.243 32.049 0.194 1
1 715 . 9 1 1 A 63 63 GLN C C 63 174.555 174.858 -0.303 1
1 716 . 9 1 1 A 64 64 GLY N N 64 111.132 111.971 -0.839 1
1 717 . 9 1 1 A 64 64 GLY H H 64 8.962 8.565 0.397 1
1 718 . 9 1 1 A 64 64 GLY CA C 64 45.780 46.390 -0.610 1
1 719 . 9 1 1 A 64 64 GLY HA2 H 64 4.498 4.331 0.167 1
1 720 . 9 1 1 A 64 64 GLY HA3 H 64 4.351 4.354 -0.003 1
1 721 . 9 1 1 A 64 64 GLY C C 64 172.117 172.562 -0.445 1
1 722 . 9 1 1 A 65 65 ILE N N 65 114.051 120.560 -6.509 1
1 723 . 9 1 1 A 65 65 ILE H H 65 8.824 8.981 -0.157 1
1 724 . 9 1 1 A 65 65 ILE CA C 65 59.949 58.678 1.271 1
1 725 . 9 1 1 A 65 65 ILE HA H 65 6.195 5.433 0.762 1
1 726 . 9 1 1 A 65 65 ILE CB C 65 41.669 42.357 -0.688 1
1 739 . 9 1 1 A 65 65 ILE C C 65 176.874 174.751 2.123 1
1 740 . 9 1 1 A 66 66 PHE N N 66 116.902 118.605 -1.703 1
1 741 . 9 1 1 A 66 66 PHE H H 66 8.770 8.696 0.074 1
1 742 . 9 1 1 A 66 66 PHE CA C 66 56.114 55.424 0.690 1
1 743 . 9 1 1 A 66 66 PHE HA H 66 4.952 4.911 0.041 1
1 744 . 9 1 1 A 66 66 PHE CB C 66 38.504 39.691 -1.187 1
1 757 . 9 1 1 A 66 66 PHE C C 66 170.992 171.608 -0.616 1
1 758 . 9 1 1 A 67 67 PRO CA C 67 61.161 62.774 -1.613 1
1 759 . 9 1 1 A 67 67 PRO HA H 67 3.678 4.337 -0.659 1
1 760 . 9 1 1 A 67 67 PRO CB C 67 30.788 31.803 -1.015 1
1 769 . 9 1 1 A 67 67 PRO C C 67 177.819 177.614 0.205 1
1 770 . 9 1 1 A 68 68 ALA N N 68 126.195 128.344 -2.149 1
1 771 . 9 1 1 A 68 68 ALA H H 68 8.458 9.059 -0.601 1
1 772 . 9 1 1 A 68 68 ALA CA C 68 54.676 55.421 -0.745 1
1 773 . 9 1 1 A 68 68 ALA HA H 68 4.008 4.084 -0.076 1
1 774 . 9 1 1 A 68 68 ALA CB C 68 18.986 18.482 0.504 1
1 778 . 9 1 1 A 68 68 ALA C C 68 178.933 179.777 -0.844 1
1 779 . 9 1 1 A 69 69 SER N N 69 110.156 114.228 -4.072 1
1 780 . 9 1 1 A 69 69 SER H H 69 8.370 8.168 0.202 1
1 781 . 9 1 1 A 69 69 SER CA C 69 60.250 62.133 -1.883 1
1 782 . 9 1 1 A 69 69 SER HA H 69 4.265 4.192 0.073 1
1 783 . 9 1 1 A 69 69 SER CB C 69 62.718 63.406 -0.688 1
1 786 . 9 1 1 A 69 69 SER C C 69 175.748 176.068 -0.320 1
1 787 . 9 1 1 A 70 70 TYR N N 70 119.475 119.620 -0.145 1
1 788 . 9 1 1 A 70 70 TYR H H 70 7.728 7.990 -0.262 1
1 789 . 9 1 1 A 70 70 TYR CA C 70 60.061 60.298 -0.237 1
1 790 . 9 1 1 A 70 70 TYR HA H 70 4.620 4.444 0.176 1
1 791 . 9 1 1 A 70 70 TYR CB C 70 39.039 38.940 0.099 1
1 802 . 9 1 1 A 70 70 TYR C C 70 176.140 176.412 -0.272 1
1 803 . 9 1 1 A 71 71 VAL N N 71 110.320 115.991 -5.671 1
1 804 . 9 1 1 A 71 71 VAL H H 71 8.064 7.901 0.163 1
1 805 . 9 1 1 A 71 71 VAL CA C 71 58.737 59.867 -1.130 1
1 806 . 9 1 1 A 71 71 VAL HA H 71 5.073 4.658 0.415 1
1 807 . 9 1 1 A 71 71 VAL CB C 71 35.550 34.230 1.320 1
1 817 . 9 1 1 A 71 71 VAL C C 71 173.044 173.964 -0.920 1
1 818 . 9 1 1 A 72 72 GLN N N 72 119.621 121.767 -2.146 1
1 819 . 9 1 1 A 72 72 GLN H H 72 8.448 8.917 -0.469 1
1 820 . 9 1 1 A 72 72 GLN CA C 72 54.351 54.318 0.033 1
1 821 . 9 1 1 A 72 72 GLN HA H 72 4.724 4.908 -0.184 1
1 822 . 9 1 1 A 72 72 GLN CB C 72 30.373 31.997 -1.624 1
1 831 . 9 1 1 A 72 72 GLN C C 72 176.050 174.414 1.636 1
1 832 . 9 1 1 A 73 73 VAL N N 73 130.439 127.765 2.674 1
1 833 . 9 1 1 A 73 73 VAL H H 73 9.369 8.928 0.441 1
1 834 . 9 1 1 A 73 73 VAL CA C 73 63.957 62.809 1.148 1
1 835 . 9 1 1 A 73 73 VAL HA H 73 3.856 4.049 -0.193 1
1 836 . 9 1 1 A 73 73 VAL CB C 73 32.616 31.623 0.993 1
1 846 . 9 1 1 A 73 73 VAL C C 73 176.043 175.705 0.338 1
1 847 . 9 1 1 A 74 74 SER N N 74 123.766 122.595 1.171 1
1 848 . 9 1 1 A 74 74 SER H H 74 8.708 8.713 -0.005 1
1 849 . 9 1 1 A 74 74 SER CA C 74 58.930 59.563 -0.633 1
1 850 . 9 1 1 A 74 74 SER HA H 74 4.627 4.566 0.061 1
1 851 . 9 1 1 A 74 74 SER CB C 74 63.548 65.453 -1.905 1
1 854 . 9 1 1 A 74 74 SER C C 74 174.821 173.776 1.045 1
1 855 . 9 1 1 A 75 75 ARG N N 75 122.335 119.580 2.755 1
1 856 . 9 1 1 A 75 75 ARG H H 75 7.690 7.561 0.129 1
1 857 . 9 1 1 A 75 75 ARG CA C 75 56.185 55.085 1.100 1
1 858 . 9 1 1 A 75 75 ARG HA H 75 4.526 4.756 -0.230 1
1 859 . 9 1 1 A 75 75 ARG CB C 75 33.734 32.884 0.850 1
1 868 . 9 1 1 A 75 75 ARG C C 75 174.824 174.740 0.084 1
1 869 . 9 1 1 A 76 76 GLU N N 76 126.797 126.902 -0.105 1
1 870 . 9 1 1 A 76 76 GLU H H 76 8.916 8.574 0.342 1
1 871 . 9 1 1 A 76 76 GLU CA C 76 54.874 54.995 -0.121 1
1 872 . 9 1 1 A 76 76 GLU HA H 76 4.561 4.492 0.069 1
1 873 . 9 1 1 A 76 76 GLU CB C 76 28.925 29.178 -0.253 1
1 879 . 9 1 1 A 76 76 GLU C C 76 175.557 174.799 0.758 1
1 880 . 9 1 1 A 77 77 PRO CA C 77 62.726 62.436 0.290 1
1 881 . 9 1 1 A 77 77 PRO HA H 77 4.584 4.640 -0.056 1
1 882 . 9 1 1 A 77 77 PRO CB C 77 32.153 33.113 -0.960 1
1 891 . 9 1 1 A 78 78 ARG N N 78 120.959 122.291 -1.332 1
1 892 . 9 1 1 A 78 78 ARG H H 78 8.814 8.713 0.101 1
1 893 . 9 1 1 A 78 78 ARG CA C 78 55.491 55.206 0.285 1
1 894 . 9 1 1 A 78 78 ARG HA H 78 4.743 4.909 -0.166 1
1 895 . 9 1 1 A 78 78 ARG CB C 78 33.443 33.481 -0.038 1
1 904 . 9 1 1 A 79 79 LEU N N 79 125.756 126.745 -0.989 1
1 905 . 9 1 1 A 79 79 LEU H H 79 8.789 8.800 -0.011 1
1 906 . 9 1 1 A 79 79 LEU CA C 79 54.346 55.969 -1.623 1
1 907 . 9 1 1 A 79 79 LEU HA H 79 5.007 4.386 0.621 1
1 908 . 9 1 1 A 79 79 LEU CB C 79 44.609 42.798 1.811 1
1 917 . 9 1 1 A 80 80 ARG N N 80 121.792 116.789 5.003 1
1 918 . 9 1 1 A 80 80 ARG H H 80 8.908 7.668 1.240 1
1 919 . 9 1 1 A 80 80 ARG CA C 80 54.966 54.666 0.300 1
1 920 . 9 1 1 A 80 80 ARG HA H 80 4.611 4.659 -0.048 1
1 921 . 9 1 1 A 80 80 ARG CB C 80 32.686 30.791 1.895 1
1 924 . 9 1 1 A 81 81 LEU N N 81 126.556 115.971 10.585 1
1 925 . 9 1 1 A 81 81 LEU H H 81 8.702 7.877 0.825 1
1 926 . 9 1 1 A 81 81 LEU CA C 81 55.199 56.068 -0.869 1
1 927 . 9 1 1 A 81 81 LEU HA H 81 4.472 3.805 0.667 1
1 928 . 9 1 1 A 81 81 LEU CB C 81 42.368 40.792 1.576 1
1 941 . 9 1 1 A 82 82 CYS N N 82 121.583 117.072 4.511 1
1 942 . 9 1 1 A 82 82 CYS H H 82 8.466 7.885 0.581 1
1 943 . 9 1 1 A 82 82 CYS CA C 82 58.583 58.170 0.413 1
1 944 . 9 1 1 A 82 82 CYS HA H 82 4.475 4.740 -0.265 1
1 945 . 9 1 1 A 82 82 CYS CB C 82 28.438 30.367 -1.929 1
1 948 . 9 1 1 A 83 83 ASP N N 83 122.639 123.019 -0.380 1
1 949 . 9 1 1 A 83 83 ASP H H 83 8.400 8.615 -0.215 1
1 950 . 9 1 1 A 83 83 ASP CA C 83 54.210 53.528 0.682 1
1 951 . 9 1 1 A 83 83 ASP HA H 83 4.654 5.167 -0.513 1
1 952 . 9 1 1 A 83 83 ASP CB C 83 41.291 42.618 -1.327 1
1 955 . 9 1 1 A 83 83 ASP C C 83 175.900 174.703 1.197 1
1 956 . 9 1 1 A 84 84 ASP N N 84 121.113 125.080 -3.967 1
1 957 . 9 1 1 A 84 84 ASP H H 84 8.310 8.647 -0.337 1
1 958 . 9 1 1 A 84 84 ASP CA C 84 54.330 54.287 0.043 1
1 959 . 9 1 1 A 84 84 ASP HA H 84 4.650 5.150 -0.500 1
1 960 . 9 1 1 A 84 84 ASP CB C 84 41.283 43.853 -2.570 1
1 963 . 9 1 1 A 84 84 ASP C C 84 176.407 174.380 2.027 1
1 964 . 9 1 1 A 85 85 SER N N 85 116.212 122.505 -6.293 1
1 965 . 9 1 1 A 85 85 SER H H 85 8.332 8.740 -0.408 1
1 966 . 9 1 1 A 85 85 SER CA C 85 58.819 57.492 1.327 1
1 967 . 9 1 1 A 85 85 SER HA H 85 4.438 5.266 -0.828 1
1 968 . 9 1 1 A 85 85 SER CB C 85 63.961 64.942 -0.981 1
1 971 . 9 1 1 A 85 85 SER C C 85 174.867 173.955 0.912 1
1 972 . 9 1 1 A 86 86 GLY N N 86 110.652 113.610 -2.958 1
1 973 . 9 1 1 A 86 86 GLY H H 86 8.251 8.625 -0.374 1
1 974 . 9 1 1 A 86 86 GLY CA C 86 44.758 45.405 -0.647 1
1 975 . 9 1 1 A 86 86 GLY HA2 H 86 4.109 4.031 0.078 1
1 976 . 9 1 1 A 86 86 GLY HA3 H 86 4.109 4.035 0.074 1
1 977 . 9 1 1 A 86 86 GLY C C 86 171.914 173.899 -1.985 1
1 978 . 9 1 1 A 87 87 PRO CA C 87 63.192 62.417 0.775 1
1 979 . 9 1 1 A 87 87 PRO HA H 87 4.484 4.679 -0.195 1
1 980 . 9 1 1 A 87 87 PRO CB C 87 32.243 30.289 1.954 1
1 989 . 9 1 1 A 87 87 PRO C C 87 177.470 177.500 -0.030 1
1 990 . 9 1 1 A 88 88 SER N N 88 116.433 121.146 -4.713 1
1 991 . 9 1 1 A 88 88 SER H H 88 8.518 8.209 0.309 1
1 992 . 9 1 1 A 88 88 SER CA C 88 58.330 61.099 -2.769 1
1 993 . 9 1 1 A 88 88 SER HA H 88 4.571 4.350 0.221 1
1 994 . 9 1 1 A 88 88 SER CB C 88 63.896 63.614 0.282 1
1 997 . 9 1 1 A 88 88 SER C C 88 174.747 173.935 0.812 1
1 998 . 9 1 1 A 89 89 SER N N 89 117.882 113.990 3.892 1
1 999 . 9 1 1 A 89 89 SER H H 89 8.335 8.012 0.323 1
1 1000 . 9 1 1 A 89 89 SER CA C 89 58.497 56.699 1.798 1
1 1001 . 9 1 1 A 89 89 SER CB C 89 64.209 66.138 -1.929 1
1 1004 . 9 1 1 A 89 89 SER C C 89 174.100 173.166 0.934 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.146 45.653 -0.507 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.966 4.268 -0.302 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.966 4.268 -0.302 1
1 4 . 10 1 1 A 7 7 GLY C C 7 173.687 172.523 1.164 1
1 5 . 10 1 1 A 8 8 LYS N N 8 122.140 121.872 0.268 1
1 6 . 10 1 1 A 8 8 LYS H H 8 8.107 8.465 -0.358 1
1 7 . 10 1 1 A 8 8 LYS CA C 8 54.053 55.327 -1.274 1
1 8 . 10 1 1 A 8 8 LYS HA H 8 4.620 4.420 0.200 1
1 9 . 10 1 1 A 8 8 LYS CB C 8 32.649 31.766 0.883 1
1 21 . 10 1 1 A 8 8 LYS C C 8 174.270 174.726 -0.456 1
1 22 . 10 1 1 A 9 9 PRO CA C 9 61.632 61.554 0.078 1
1 23 . 10 1 1 A 9 9 PRO HA H 9 4.687 4.654 0.033 1
1 24 . 10 1 1 A 9 9 PRO CB C 9 30.855 31.578 -0.723 1
1 33 . 10 1 1 A 10 10 PRO CA C 10 62.942 62.462 0.480 1
1 34 . 10 1 1 A 10 10 PRO HA H 10 4.473 4.716 -0.243 1
1 35 . 10 1 1 A 10 10 PRO CB C 10 32.197 29.505 2.692 1
1 44 . 10 1 1 A 11 11 THR N N 11 128.434 117.976 10.458 1
1 45 . 10 1 1 A 11 11 THR H H 11 8.172 8.538 -0.366 1
1 46 . 10 1 1 A 11 11 THR CA C 11 61.644 61.156 0.488 1
1 47 . 10 1 1 A 11 11 THR HA H 11 4.357 4.909 -0.552 1
1 48 . 10 1 1 A 11 11 THR CB C 11 70.204 71.463 -1.259 1
1 54 . 10 1 1 A 12 12 TYR N N 12 120.312 127.999 -7.687 1
1 55 . 10 1 1 A 12 12 TYR H H 12 8.033 9.003 -0.970 1
1 56 . 10 1 1 A 12 12 TYR CA C 12 56.633 57.390 -0.757 1
1 57 . 10 1 1 A 12 12 TYR HA H 12 4.967 4.616 0.351 1
1 58 . 10 1 1 A 12 12 TYR CB C 12 40.403 38.156 2.247 1
1 69 . 10 1 1 A 13 13 GLN H H 13 8.634 8.268 0.366 1
1 70 . 10 1 1 A 13 13 GLN CA C 13 54.519 54.360 0.159 1
1 71 . 10 1 1 A 13 13 GLN HA H 13 4.626 4.347 0.279 1
1 72 . 10 1 1 A 13 13 GLN CB C 13 31.183 28.436 2.747 1
1 81 . 10 1 1 A 14 14 VAL N N 14 124.270 113.842 10.428 1
1 82 . 10 1 1 A 14 14 VAL H H 14 8.773 6.917 1.856 1
1 83 . 10 1 1 A 14 14 VAL CA C 14 62.977 62.951 0.026 1
1 84 . 10 1 1 A 14 14 VAL HA H 14 4.018 3.650 0.368 1
1 85 . 10 1 1 A 14 14 VAL CB C 14 32.909 29.184 3.725 1
1 95 . 10 1 1 A 15 15 LEU N N 15 128.403 118.933 9.470 1
1 96 . 10 1 1 A 15 15 LEU H H 15 8.726 8.039 0.687 1
1 97 . 10 1 1 A 15 15 LEU CA C 15 55.620 55.423 0.197 1
1 98 . 10 1 1 A 15 15 LEU HA H 15 4.412 4.647 -0.235 1
1 99 . 10 1 1 A 15 15 LEU CB C 15 42.580 43.453 -0.873 1
1 112 . 10 1 1 A 16 16 GLU H H 16 8.687 8.436 0.251 1
1 113 . 10 1 1 A 16 16 GLU CA C 16 55.492 58.931 -3.439 1
1 114 . 10 1 1 A 16 16 GLU HA H 16 4.401 4.217 0.184 1
1 115 . 10 1 1 A 16 16 GLU CB C 16 32.409 29.440 2.969 1
1 120 . 10 1 1 A 17 17 TYR N N 17 124.726 119.182 5.544 1
1 121 . 10 1 1 A 17 17 TYR H H 17 8.505 8.145 0.360 1
1 122 . 10 1 1 A 17 17 TYR CA C 17 58.490 57.377 1.113 1
1 123 . 10 1 1 A 17 17 TYR HA H 17 4.598 4.816 -0.218 1
1 124 . 10 1 1 A 17 17 TYR CB C 17 38.814 39.414 -0.600 1
1 135 . 10 1 1 A 18 18 GLY N N 18 106.652 111.787 -5.135 1
1 136 . 10 1 1 A 18 18 GLY H H 18 9.176 8.242 0.934 1
1 137 . 10 1 1 A 18 18 GLY CA C 18 43.947 44.445 -0.498 1
1 138 . 10 1 1 A 18 18 GLY HA2 H 18 3.646 4.064 -0.418 1
1 139 . 10 1 1 A 18 18 GLY HA3 H 18 4.287 4.087 0.200 1
1 140 . 10 1 1 A 19 19 GLU N N 19 122.571 120.148 2.423 1
1 141 . 10 1 1 A 19 19 GLU H H 19 9.450 8.164 1.286 1
1 142 . 10 1 1 A 19 19 GLU CA C 19 56.496 55.457 1.039 1
1 143 . 10 1 1 A 19 19 GLU HA H 19 5.218 4.991 0.227 1
1 144 . 10 1 1 A 19 19 GLU CB C 19 34.419 32.669 1.750 1
1 149 . 10 1 1 A 19 19 GLU C C 19 173.496 175.085 -1.589 1
1 150 . 10 1 1 A 20 20 ALA N N 20 125.442 129.330 -3.888 1
1 151 . 10 1 1 A 20 20 ALA H H 20 8.813 8.648 0.165 1
1 152 . 10 1 1 A 20 20 ALA CA C 20 50.154 50.043 0.111 1
1 153 . 10 1 1 A 20 20 ALA HA H 20 5.132 5.725 -0.593 1
1 154 . 10 1 1 A 20 20 ALA CB C 20 24.742 23.243 1.499 1
1 158 . 10 1 1 A 20 20 ALA C C 20 174.555 175.560 -1.005 1
1 159 . 10 1 1 A 21 21 VAL N N 21 117.729 120.133 -2.404 1
1 160 . 10 1 1 A 21 21 VAL H H 21 8.118 8.753 -0.635 1
1 161 . 10 1 1 A 21 21 VAL CA C 21 60.211 60.666 -0.455 1
1 162 . 10 1 1 A 21 21 VAL HA H 21 4.478 4.285 0.193 1
1 163 . 10 1 1 A 21 21 VAL CB C 21 34.751 35.123 -0.372 1
1 173 . 10 1 1 A 21 21 VAL C C 21 176.351 175.264 1.087 1
1 174 . 10 1 1 A 22 22 ALA N N 22 130.024 130.409 -0.385 1
1 175 . 10 1 1 A 22 22 ALA H H 22 8.689 8.186 0.503 1
1 176 . 10 1 1 A 22 22 ALA CA C 22 53.496 52.999 0.497 1
1 177 . 10 1 1 A 22 22 ALA HA H 22 4.170 4.225 -0.055 1
1 178 . 10 1 1 A 22 22 ALA CB C 22 20.793 19.106 1.687 1
1 182 . 10 1 1 A 22 22 ALA C C 22 178.156 176.673 1.483 1
1 183 . 10 1 1 A 23 23 GLN N N 23 126.904 122.859 4.045 1
1 184 . 10 1 1 A 23 23 GLN H H 23 9.442 8.667 0.775 1
1 185 . 10 1 1 A 23 23 GLN CA C 23 55.611 57.229 -1.618 1
1 186 . 10 1 1 A 23 23 GLN HA H 23 4.202 4.364 -0.162 1
1 187 . 10 1 1 A 23 23 GLN CB C 23 30.345 30.123 0.222 1
1 196 . 10 1 1 A 23 23 GLN C C 23 173.200 175.629 -2.429 1
1 197 . 10 1 1 A 24 24 TYR N N 24 115.157 115.958 -0.801 1
1 198 . 10 1 1 A 24 24 TYR H H 24 7.696 7.659 0.037 1
1 199 . 10 1 1 A 24 24 TYR CA C 24 55.303 56.768 -1.465 1
1 200 . 10 1 1 A 24 24 TYR HA H 24 4.847 5.237 -0.390 1
1 201 . 10 1 1 A 24 24 TYR CB C 24 43.087 41.530 1.557 1
1 212 . 10 1 1 A 24 24 TYR C C 24 173.829 175.946 -2.117 1
1 213 . 10 1 1 A 25 25 THR N N 25 118.997 119.636 -0.639 1
1 214 . 10 1 1 A 25 25 THR H H 25 8.697 8.929 -0.232 1
1 215 . 10 1 1 A 25 25 THR CA C 25 63.201 63.580 -0.379 1
1 216 . 10 1 1 A 25 25 THR HA H 25 4.483 4.448 0.035 1
1 217 . 10 1 1 A 25 25 THR CB C 25 70.228 68.956 1.272 1
1 223 . 10 1 1 A 25 25 THR C C 25 173.214 174.002 -0.788 1
1 224 . 10 1 1 A 26 26 PHE N N 26 129.691 126.935 2.756 1
1 225 . 10 1 1 A 26 26 PHE H H 26 8.460 8.221 0.239 1
1 226 . 10 1 1 A 26 26 PHE CA C 26 55.887 56.760 -0.873 1
1 227 . 10 1 1 A 26 26 PHE HA H 26 4.631 5.158 -0.527 1
1 228 . 10 1 1 A 26 26 PHE CB C 26 42.134 41.752 0.382 1
1 241 . 10 1 1 A 26 26 PHE C C 26 173.089 174.060 -0.971 1
1 242 . 10 1 1 A 27 27 LYS N N 27 129.755 125.349 4.406 1
1 243 . 10 1 1 A 27 27 LYS H H 27 7.879 7.442 0.437 1
1 244 . 10 1 1 A 27 27 LYS CA C 27 54.562 54.353 0.209 1
1 245 . 10 1 1 A 27 27 LYS HA H 27 4.023 4.965 -0.942 1
1 246 . 10 1 1 A 27 27 LYS CB C 27 32.490 35.316 -2.826 1
1 258 . 10 1 1 A 27 27 LYS C C 27 174.852 174.952 -0.100 1
1 259 . 10 1 1 A 28 28 GLY N N 28 113.171 112.911 0.260 1
1 260 . 10 1 1 A 28 28 GLY H H 28 7.726 8.299 -0.573 1
1 261 . 10 1 1 A 28 28 GLY CA C 28 45.922 45.277 0.645 1
1 262 . 10 1 1 A 28 28 GLY HA2 H 28 3.151 4.302 -1.151 1
1 263 . 10 1 1 A 28 28 GLY HA3 H 28 3.619 4.515 -0.896 1
1 264 . 10 1 1 A 28 28 GLY C C 28 173.250 173.505 -0.255 1
1 265 . 10 1 1 A 29 29 ASP N N 29 121.578 117.824 3.754 1
1 266 . 10 1 1 A 29 29 ASP H H 29 8.743 8.349 0.394 1
1 267 . 10 1 1 A 29 29 ASP CA C 29 55.162 54.888 0.274 1
1 268 . 10 1 1 A 29 29 ASP HA H 29 4.616 4.909 -0.293 1
1 269 . 10 1 1 A 29 29 ASP CB C 29 42.815 43.650 -0.835 1
1 272 . 10 1 1 A 29 29 ASP C C 29 176.583 176.336 0.247 1
1 273 . 10 1 1 A 30 30 LEU N N 30 119.139 120.938 -1.799 1
1 274 . 10 1 1 A 30 30 LEU H H 30 8.069 7.134 0.935 1
1 275 . 10 1 1 A 30 30 LEU CA C 30 54.174 55.284 -1.110 1
1 276 . 10 1 1 A 30 30 LEU HA H 30 4.585 4.294 0.291 1
1 277 . 10 1 1 A 30 30 LEU CB C 30 44.109 42.291 1.818 1
1 290 . 10 1 1 A 30 30 LEU C C 30 179.241 178.104 1.137 1
1 291 . 10 1 1 A 31 31 GLU N N 31 122.182 122.217 -0.035 1
1 292 . 10 1 1 A 31 31 GLU H H 31 8.905 8.871 0.034 1
1 293 . 10 1 1 A 31 31 GLU CA C 31 59.392 59.993 -0.601 1
1 294 . 10 1 1 A 31 31 GLU HA H 31 4.151 3.965 0.186 1
1 295 . 10 1 1 A 31 31 GLU CB C 31 29.605 29.610 -0.005 1
1 301 . 10 1 1 A 31 31 GLU C C 31 177.520 178.547 -1.027 1
1 302 . 10 1 1 A 32 32 VAL N N 32 108.281 116.378 -8.097 1
1 303 . 10 1 1 A 32 32 VAL H H 32 7.186 8.163 -0.977 1
1 304 . 10 1 1 A 32 32 VAL CA C 32 61.950 65.418 -3.468 1
1 305 . 10 1 1 A 32 32 VAL HA H 32 4.365 3.929 0.436 1
1 306 . 10 1 1 A 32 32 VAL CB C 32 32.222 31.430 0.792 1
1 316 . 10 1 1 A 32 32 VAL C C 32 176.602 176.498 0.104 1
1 317 . 10 1 1 A 33 33 GLU N N 33 120.835 122.450 -1.615 1
1 318 . 10 1 1 A 33 33 GLU H H 33 7.751 7.982 -0.231 1
1 319 . 10 1 1 A 33 33 GLU CA C 33 55.560 56.273 -0.713 1
1 320 . 10 1 1 A 33 33 GLU HA H 33 5.106 4.602 0.504 1
1 321 . 10 1 1 A 33 33 GLU CB C 33 31.354 29.770 1.584 1
1 327 . 10 1 1 A 33 33 GLU C C 33 176.180 175.651 0.529 1
1 328 . 10 1 1 A 34 34 LEU N N 34 126.568 128.020 -1.452 1
1 329 . 10 1 1 A 34 34 LEU H H 34 9.073 8.648 0.425 1
1 330 . 10 1 1 A 34 34 LEU CA C 34 53.385 53.996 -0.611 1
1 331 . 10 1 1 A 34 34 LEU HA H 34 4.481 5.115 -0.634 1
1 332 . 10 1 1 A 34 34 LEU CB C 34 44.305 44.365 -0.060 1
1 345 . 10 1 1 A 34 34 LEU C C 34 173.373 175.180 -1.807 1
1 346 . 10 1 1 A 35 35 SER N N 35 116.987 124.624 -7.637 1
1 347 . 10 1 1 A 35 35 SER H H 35 7.561 8.872 -1.311 1
1 348 . 10 1 1 A 35 35 SER CA C 35 58.335 58.082 0.253 1
1 349 . 10 1 1 A 35 35 SER HA H 35 4.569 5.117 -0.548 1
1 350 . 10 1 1 A 35 35 SER CB C 35 64.536 64.683 -0.147 1
1 353 . 10 1 1 A 35 35 SER C C 35 174.513 173.762 0.751 1
1 354 . 10 1 1 A 36 36 PHE N N 36 117.028 120.088 -3.060 1
1 355 . 10 1 1 A 36 36 PHE H H 36 8.339 8.399 -0.060 1
1 356 . 10 1 1 A 36 36 PHE CA C 36 55.938 55.838 0.100 1
1 357 . 10 1 1 A 36 36 PHE HA H 36 4.647 5.130 -0.483 1
1 358 . 10 1 1 A 36 36 PHE CB C 36 39.959 41.620 -1.661 1
1 371 . 10 1 1 A 36 36 PHE C C 36 174.055 172.238 1.817 1
1 372 . 10 1 1 A 37 37 ARG N N 37 120.296 120.185 0.111 1
1 373 . 10 1 1 A 37 37 ARG H H 37 9.859 8.546 1.313 1
1 374 . 10 1 1 A 37 37 ARG CA C 37 53.915 54.807 -0.892 1
1 375 . 10 1 1 A 37 37 ARG HA H 37 4.929 4.825 0.104 1
1 376 . 10 1 1 A 37 37 ARG CB C 37 32.735 32.057 0.678 1
1 385 . 10 1 1 A 37 37 ARG C C 37 175.793 176.019 -0.226 1
1 386 . 10 1 1 A 38 38 LYS N N 38 121.649 124.543 -2.894 1
1 387 . 10 1 1 A 38 38 LYS H H 38 7.938 8.230 -0.292 1
1 388 . 10 1 1 A 38 38 LYS CA C 38 58.880 58.288 0.592 1
1 389 . 10 1 1 A 38 38 LYS HA H 38 3.291 3.995 -0.704 1
1 390 . 10 1 1 A 38 38 LYS CB C 38 32.755 32.094 0.661 1
1 402 . 10 1 1 A 38 38 LYS C C 38 176.459 177.298 -0.839 1
1 403 . 10 1 1 A 39 39 GLY N N 39 114.431 114.753 -0.322 1
1 404 . 10 1 1 A 39 39 GLY H H 39 8.618 8.769 -0.151 1
1 405 . 10 1 1 A 39 39 GLY CA C 39 44.652 45.126 -0.474 1
1 406 . 10 1 1 A 39 39 GLY HA2 H 39 3.438 4.021 -0.583 1
1 407 . 10 1 1 A 39 39 GLY HA3 H 39 4.399 4.028 0.371 1
1 408 . 10 1 1 A 39 39 GLY C C 39 174.586 174.485 0.101 1
1 409 . 10 1 1 A 40 40 GLU N N 40 119.554 121.206 -1.652 1
1 410 . 10 1 1 A 40 40 GLU H H 40 7.931 8.002 -0.071 1
1 411 . 10 1 1 A 40 40 GLU CA C 40 59.197 57.311 1.886 1
1 412 . 10 1 1 A 40 40 GLU HA H 40 4.272 4.342 -0.070 1
1 413 . 10 1 1 A 40 40 GLU CB C 40 30.759 30.777 -0.018 1
1 419 . 10 1 1 A 40 40 GLU C C 40 175.278 175.561 -0.283 1
1 420 . 10 1 1 A 41 41 HIS N N 41 121.677 120.182 1.495 1
1 421 . 10 1 1 A 41 41 HIS H H 41 8.837 9.029 -0.192 1
1 422 . 10 1 1 A 41 41 HIS CA C 41 56.432 54.679 1.753 1
1 423 . 10 1 1 A 41 41 HIS HA H 41 4.817 5.072 -0.255 1
1 424 . 10 1 1 A 41 41 HIS CB C 41 30.260 30.482 -0.222 1
1 431 . 10 1 1 A 41 41 HIS C C 41 174.622 174.025 0.597 1
1 432 . 10 1 1 A 42 42 ILE N N 42 123.889 125.065 -1.176 1
1 433 . 10 1 1 A 42 42 ILE H H 42 8.753 8.579 0.174 1
1 434 . 10 1 1 A 42 42 ILE CA C 42 60.433 60.161 0.272 1
1 435 . 10 1 1 A 42 42 ILE HA H 42 4.079 4.465 -0.386 1
1 436 . 10 1 1 A 42 42 ILE CB C 42 42.258 38.772 3.486 1
1 449 . 10 1 1 A 42 42 ILE C C 42 174.377 174.977 -0.600 1
1 450 . 10 1 1 A 43 43 CYS N N 43 127.431 127.510 -0.079 1
1 451 . 10 1 1 A 43 43 CYS H H 43 8.877 8.843 0.034 1
1 452 . 10 1 1 A 43 43 CYS CA C 43 57.909 58.924 -1.015 1
1 453 . 10 1 1 A 43 43 CYS HA H 43 4.654 4.741 -0.087 1
1 454 . 10 1 1 A 43 43 CYS CB C 43 26.650 28.452 -1.802 1
1 457 . 10 1 1 A 43 43 CYS C C 43 174.875 173.817 1.058 1
1 458 . 10 1 1 A 44 44 LEU N N 44 126.732 127.193 -0.461 1
1 459 . 10 1 1 A 44 44 LEU H H 44 7.724 8.898 -1.174 1
1 460 . 10 1 1 A 44 44 LEU CA C 44 53.741 54.502 -0.761 1
1 461 . 10 1 1 A 44 44 LEU HA H 44 4.546 4.461 0.085 1
1 462 . 10 1 1 A 44 44 LEU CB C 44 43.286 40.844 2.442 1
1 475 . 10 1 1 A 44 44 LEU C C 44 175.004 176.121 -1.117 1
1 476 . 10 1 1 A 45 45 ILE N N 45 125.519 127.002 -1.483 1
1 477 . 10 1 1 A 45 45 ILE H H 45 9.058 8.510 0.548 1
1 478 . 10 1 1 A 45 45 ILE CA C 45 63.488 64.137 -0.649 1
1 479 . 10 1 1 A 45 45 ILE HA H 45 4.121 4.316 -0.195 1
1 480 . 10 1 1 A 45 45 ILE CB C 45 39.808 38.474 1.334 1
1 493 . 10 1 1 A 46 46 ARG N N 46 105.448 119.804 -14.356 1
1 494 . 10 1 1 A 46 46 ARG H H 46 7.377 7.471 -0.094 1
1 495 . 10 1 1 A 46 46 ARG CA C 46 54.848 54.415 0.433 1
1 496 . 10 1 1 A 46 46 ARG HA H 46 4.576 4.758 -0.182 1
1 497 . 10 1 1 A 46 46 ARG CB C 46 32.078 34.723 -2.645 1
1 508 . 10 1 1 A 46 46 ARG C C 46 174.353 174.248 0.105 1
1 509 . 10 1 1 A 47 47 LYS N N 47 124.397 125.284 -0.887 1
1 510 . 10 1 1 A 47 47 LYS H H 47 9.254 8.714 0.540 1
1 511 . 10 1 1 A 47 47 LYS CA C 47 56.832 56.641 0.191 1
1 512 . 10 1 1 A 47 47 LYS HA H 47 4.353 4.486 -0.133 1
1 513 . 10 1 1 A 47 47 LYS CB C 47 32.868 32.381 0.487 1
1 525 . 10 1 1 A 47 47 LYS C C 47 176.540 176.550 -0.010 1
1 526 . 10 1 1 A 48 48 VAL N N 48 126.203 127.258 -1.055 1
1 527 . 10 1 1 A 48 48 VAL H H 48 8.289 8.682 -0.393 1
1 528 . 10 1 1 A 48 48 VAL CA C 48 63.966 64.505 -0.539 1
1 529 . 10 1 1 A 48 48 VAL HA H 48 3.784 3.954 -0.170 1
1 530 . 10 1 1 A 48 48 VAL CB C 48 33.030 32.994 0.036 1
1 540 . 10 1 1 A 48 48 VAL C C 48 175.547 175.298 0.249 1
1 541 . 10 1 1 A 49 49 ASN N N 49 115.717 116.488 -0.771 1
1 542 . 10 1 1 A 49 49 ASN H H 49 8.167 7.669 0.498 1
1 543 . 10 1 1 A 49 49 ASN CA C 49 52.768 51.463 1.305 1
1 544 . 10 1 1 A 49 49 ASN HA H 49 4.428 5.056 -0.628 1
1 545 . 10 1 1 A 49 49 ASN CB C 49 37.683 42.510 -4.827 1
1 551 . 10 1 1 A 49 49 ASN C C 49 174.537 175.819 -1.282 1
1 552 . 10 1 1 A 50 50 GLU N N 50 114.361 120.742 -6.381 1
1 553 . 10 1 1 A 50 50 GLU H H 50 8.781 9.180 -0.399 1
1 554 . 10 1 1 A 50 50 GLU CA C 50 59.835 58.530 1.305 1
1 555 . 10 1 1 A 50 50 GLU HA H 50 3.947 4.056 -0.109 1
1 556 . 10 1 1 A 50 50 GLU CB C 50 29.534 28.940 0.594 1
1 562 . 10 1 1 A 50 50 GLU C C 50 176.796 176.031 0.765 1
1 563 . 10 1 1 A 51 51 ASN N N 51 112.673 116.397 -3.724 1
1 564 . 10 1 1 A 51 51 ASN H H 51 8.535 7.886 0.649 1
1 565 . 10 1 1 A 51 51 ASN CA C 51 53.328 54.407 -1.079 1
1 566 . 10 1 1 A 51 51 ASN HA H 51 4.968 4.828 0.140 1
1 567 . 10 1 1 A 51 51 ASN CB C 51 41.171 41.190 -0.019 1
1 573 . 10 1 1 A 51 51 ASN C C 51 174.756 175.124 -0.368 1
1 574 . 10 1 1 A 52 52 TRP N N 52 121.399 118.684 2.715 1
1 575 . 10 1 1 A 52 52 TRP H H 52 7.726 7.748 -0.022 1
1 576 . 10 1 1 A 52 52 TRP CA C 52 57.485 57.959 -0.474 1
1 577 . 10 1 1 A 52 52 TRP HA H 52 5.072 4.590 0.482 1
1 578 . 10 1 1 A 52 52 TRP CB C 52 31.703 30.152 1.551 1
1 593 . 10 1 1 A 52 52 TRP C C 52 174.756 176.084 -1.328 1
1 594 . 10 1 1 A 53 53 TYR N N 53 118.564 120.245 -1.681 1
1 595 . 10 1 1 A 53 53 TYR H H 53 8.443 8.717 -0.274 1
1 596 . 10 1 1 A 53 53 TYR CA C 53 57.305 56.189 1.116 1
1 597 . 10 1 1 A 53 53 TYR HA H 53 4.978 5.149 -0.171 1
1 598 . 10 1 1 A 53 53 TYR CB C 53 44.030 42.944 1.086 1
1 609 . 10 1 1 A 53 53 TYR C C 53 174.045 173.935 0.110 1
1 610 . 10 1 1 A 54 54 GLU N N 54 117.557 121.502 -3.945 1
1 611 . 10 1 1 A 54 54 GLU H H 54 8.906 8.436 0.470 1
1 612 . 10 1 1 A 54 54 GLU CA C 54 54.986 55.197 -0.211 1
1 613 . 10 1 1 A 54 54 GLU HA H 54 5.059 5.251 -0.192 1
1 614 . 10 1 1 A 54 54 GLU CB C 54 32.458 32.249 0.209 1
1 620 . 10 1 1 A 54 54 GLU C C 54 176.438 175.134 1.304 1
1 621 . 10 1 1 A 55 55 GLY N N 55 114.051 113.558 0.493 1
1 622 . 10 1 1 A 55 55 GLY H H 55 9.556 8.711 0.845 1
1 623 . 10 1 1 A 55 55 GLY CA C 55 45.816 44.837 0.979 1
1 624 . 10 1 1 A 55 55 GLY HA2 H 55 5.166 4.318 0.848 1
1 625 . 10 1 1 A 55 55 GLY HA3 H 55 3.929 4.462 -0.533 1
1 626 . 10 1 1 A 55 55 GLY C C 55 169.584 173.192 -3.608 1
1 627 . 10 1 1 A 56 56 ARG N N 56 116.523 118.423 -1.900 1
1 628 . 10 1 1 A 56 56 ARG H H 56 9.093 8.914 0.179 1
1 629 . 10 1 1 A 56 56 ARG CA C 56 53.977 54.418 -0.441 1
1 630 . 10 1 1 A 56 56 ARG HA H 56 5.528 5.284 0.244 1
1 631 . 10 1 1 A 56 56 ARG CB C 56 34.963 34.163 0.800 1
1 640 . 10 1 1 A 56 56 ARG C C 56 174.325 174.223 0.102 1
1 641 . 10 1 1 A 57 57 ILE N N 57 123.690 124.319 -0.629 1
1 642 . 10 1 1 A 57 57 ILE H H 57 8.230 9.361 -1.131 1
1 643 . 10 1 1 A 57 57 ILE CA C 57 59.706 60.706 -1.000 1
1 644 . 10 1 1 A 57 57 ILE HA H 57 4.585 4.555 0.030 1
1 645 . 10 1 1 A 57 57 ILE CB C 57 35.623 37.327 -1.704 1
1 658 . 10 1 1 A 57 57 ILE C C 57 177.239 175.454 1.785 1
1 659 . 10 1 1 A 58 58 THR N N 58 112.797 123.595 -10.798 1
1 660 . 10 1 1 A 58 58 THR H H 58 8.805 8.656 0.149 1
1 661 . 10 1 1 A 58 58 THR CA C 58 65.598 63.637 1.961 1
1 662 . 10 1 1 A 58 58 THR HA H 58 3.857 4.153 -0.296 1
1 663 . 10 1 1 A 58 58 THR CB C 58 68.553 68.529 0.024 1
1 669 . 10 1 1 A 59 59 GLY CA C 59 45.463 45.369 0.094 1
1 670 . 10 1 1 A 59 59 GLY HA2 H 59 3.834 3.962 -0.128 1
1 671 . 10 1 1 A 59 59 GLY HA3 H 59 4.266 3.965 0.301 1
1 672 . 10 1 1 A 59 59 GLY C C 59 174.543 174.639 -0.096 1
1 673 . 10 1 1 A 60 60 THR N N 60 108.632 111.904 -3.272 1
1 674 . 10 1 1 A 60 60 THR H H 60 7.779 7.955 -0.176 1
1 675 . 10 1 1 A 60 60 THR CA C 60 61.017 62.707 -1.690 1
1 676 . 10 1 1 A 60 60 THR HA H 60 4.892 4.507 0.385 1
1 677 . 10 1 1 A 60 60 THR CB C 60 72.426 71.064 1.362 1
1 683 . 10 1 1 A 60 60 THR C C 60 175.144 175.760 -0.616 1
1 684 . 10 1 1 A 61 61 GLY CA C 61 45.320 45.203 0.117 1
1 685 . 10 1 1 A 61 61 GLY HA2 H 61 3.930 4.042 -0.112 1
1 686 . 10 1 1 A 61 61 GLY HA3 H 61 4.183 4.045 0.138 1
1 687 . 10 1 1 A 61 61 GLY C C 61 174.641 174.525 0.116 1
1 688 . 10 1 1 A 62 62 ARG N N 62 121.575 121.423 0.152 1
1 689 . 10 1 1 A 62 62 ARG H H 62 8.229 7.942 0.287 1
1 690 . 10 1 1 A 62 62 ARG CA C 62 56.440 57.365 -0.925 1
1 691 . 10 1 1 A 62 62 ARG HA H 62 4.380 4.305 0.075 1
1 692 . 10 1 1 A 62 62 ARG CB C 62 30.667 31.067 -0.400 1
1 701 . 10 1 1 A 62 62 ARG C C 62 174.530 175.446 -0.916 1
1 702 . 10 1 1 A 63 63 GLN N N 63 124.206 122.871 1.335 1
1 703 . 10 1 1 A 63 63 GLN H H 63 8.473 8.581 -0.108 1
1 704 . 10 1 1 A 63 63 GLN CA C 63 54.768 54.973 -0.205 1
1 705 . 10 1 1 A 63 63 GLN HA H 63 5.449 5.279 0.170 1
1 706 . 10 1 1 A 63 63 GLN CB C 63 32.243 32.415 -0.172 1
1 715 . 10 1 1 A 63 63 GLN C C 63 174.555 174.950 -0.395 1
1 716 . 10 1 1 A 64 64 GLY N N 64 111.132 112.458 -1.326 1
1 717 . 10 1 1 A 64 64 GLY H H 64 8.962 8.215 0.747 1
1 718 . 10 1 1 A 64 64 GLY CA C 64 45.780 46.288 -0.508 1
1 719 . 10 1 1 A 64 64 GLY HA2 H 64 4.498 4.409 0.089 1
1 720 . 10 1 1 A 64 64 GLY HA3 H 64 4.351 4.446 -0.095 1
1 721 . 10 1 1 A 64 64 GLY C C 64 172.117 172.758 -0.641 1
1 722 . 10 1 1 A 65 65 ILE N N 65 114.051 119.247 -5.196 1
1 723 . 10 1 1 A 65 65 ILE H H 65 8.824 8.603 0.221 1
1 724 . 10 1 1 A 65 65 ILE CA C 65 59.949 58.624 1.325 1
1 725 . 10 1 1 A 65 65 ILE HA H 65 6.195 5.365 0.830 1
1 726 . 10 1 1 A 65 65 ILE CB C 65 41.669 42.331 -0.662 1
1 739 . 10 1 1 A 65 65 ILE C C 65 176.874 174.763 2.111 1
1 740 . 10 1 1 A 66 66 PHE N N 66 116.902 118.454 -1.552 1
1 741 . 10 1 1 A 66 66 PHE H H 66 8.770 8.332 0.438 1
1 742 . 10 1 1 A 66 66 PHE CA C 66 56.114 55.478 0.636 1
1 743 . 10 1 1 A 66 66 PHE HA H 66 4.952 4.976 -0.024 1
1 744 . 10 1 1 A 66 66 PHE CB C 66 38.504 39.691 -1.187 1
1 757 . 10 1 1 A 66 66 PHE C C 66 170.992 171.528 -0.536 1
1 758 . 10 1 1 A 67 67 PRO CA C 67 61.161 62.055 -0.894 1
1 759 . 10 1 1 A 67 67 PRO HA H 67 3.678 3.998 -0.320 1
1 760 . 10 1 1 A 67 67 PRO CB C 67 30.788 30.911 -0.123 1
1 769 . 10 1 1 A 67 67 PRO C C 67 177.819 177.763 0.056 1
1 770 . 10 1 1 A 68 68 ALA N N 68 126.195 129.009 -2.814 1
1 771 . 10 1 1 A 68 68 ALA H H 68 8.458 8.559 -0.101 1
1 772 . 10 1 1 A 68 68 ALA CA C 68 54.676 55.465 -0.789 1
1 773 . 10 1 1 A 68 68 ALA HA H 68 4.008 4.179 -0.171 1
1 774 . 10 1 1 A 68 68 ALA CB C 68 18.986 18.613 0.373 1
1 778 . 10 1 1 A 68 68 ALA C C 68 178.933 179.682 -0.749 1
1 779 . 10 1 1 A 69 69 SER N N 69 110.156 114.016 -3.860 1
1 780 . 10 1 1 A 69 69 SER H H 69 8.370 8.178 0.192 1
1 781 . 10 1 1 A 69 69 SER CA C 69 60.250 62.210 -1.960 1
1 782 . 10 1 1 A 69 69 SER HA H 69 4.265 4.220 0.045 1
1 783 . 10 1 1 A 69 69 SER CB C 69 62.718 63.083 -0.365 1
1 786 . 10 1 1 A 69 69 SER C C 69 175.748 176.272 -0.524 1
1 787 . 10 1 1 A 70 70 TYR N N 70 119.475 119.975 -0.500 1
1 788 . 10 1 1 A 70 70 TYR H H 70 7.728 7.666 0.062 1
1 789 . 10 1 1 A 70 70 TYR CA C 70 60.061 60.663 -0.602 1
1 790 . 10 1 1 A 70 70 TYR HA H 70 4.620 4.458 0.162 1
1 791 . 10 1 1 A 70 70 TYR CB C 70 39.039 38.792 0.247 1
1 802 . 10 1 1 A 70 70 TYR C C 70 176.140 176.403 -0.263 1
1 803 . 10 1 1 A 71 71 VAL N N 71 110.320 116.890 -6.570 1
1 804 . 10 1 1 A 71 71 VAL H H 71 8.064 7.867 0.197 1
1 805 . 10 1 1 A 71 71 VAL CA C 71 58.737 60.151 -1.414 1
1 806 . 10 1 1 A 71 71 VAL HA H 71 5.073 4.582 0.491 1
1 807 . 10 1 1 A 71 71 VAL CB C 71 35.550 34.178 1.372 1
1 817 . 10 1 1 A 71 71 VAL C C 71 173.044 173.981 -0.937 1
1 818 . 10 1 1 A 72 72 GLN N N 72 119.621 121.977 -2.356 1
1 819 . 10 1 1 A 72 72 GLN H H 72 8.448 8.939 -0.491 1
1 820 . 10 1 1 A 72 72 GLN CA C 72 54.351 54.322 0.029 1
1 821 . 10 1 1 A 72 72 GLN HA H 72 4.724 4.837 -0.113 1
1 822 . 10 1 1 A 72 72 GLN CB C 72 30.373 31.871 -1.498 1
1 831 . 10 1 1 A 72 72 GLN C C 72 176.050 174.573 1.477 1
1 832 . 10 1 1 A 73 73 VAL N N 73 130.439 127.880 2.559 1
1 833 . 10 1 1 A 73 73 VAL H H 73 9.369 8.958 0.411 1
1 834 . 10 1 1 A 73 73 VAL CA C 73 63.957 62.899 1.058 1
1 835 . 10 1 1 A 73 73 VAL HA H 73 3.856 4.010 -0.154 1
1 836 . 10 1 1 A 73 73 VAL CB C 73 32.616 31.599 1.017 1
1 846 . 10 1 1 A 73 73 VAL C C 73 176.043 175.728 0.315 1
1 847 . 10 1 1 A 74 74 SER N N 74 123.766 122.591 1.175 1
1 848 . 10 1 1 A 74 74 SER H H 74 8.708 8.878 -0.170 1
1 849 . 10 1 1 A 74 74 SER CA C 74 58.930 59.478 -0.548 1
1 850 . 10 1 1 A 74 74 SER HA H 74 4.627 4.558 0.069 1
1 851 . 10 1 1 A 74 74 SER CB C 74 63.548 65.408 -1.860 1
1 854 . 10 1 1 A 74 74 SER C C 74 174.821 173.009 1.812 1
1 855 . 10 1 1 A 75 75 ARG N N 75 122.335 119.646 2.689 1
1 856 . 10 1 1 A 75 75 ARG H H 75 7.690 7.328 0.362 1
1 857 . 10 1 1 A 75 75 ARG CA C 75 56.185 54.171 2.014 1
1 858 . 10 1 1 A 75 75 ARG HA H 75 4.526 4.705 -0.179 1
1 859 . 10 1 1 A 75 75 ARG CB C 75 33.734 33.077 0.657 1
1 868 . 10 1 1 A 75 75 ARG C C 75 174.824 175.435 -0.611 1
1 869 . 10 1 1 A 76 76 GLU N N 76 126.797 123.742 3.055 1
1 870 . 10 1 1 A 76 76 GLU H H 76 8.916 8.546 0.370 1
1 871 . 10 1 1 A 76 76 GLU CA C 76 54.874 54.579 0.295 1
1 872 . 10 1 1 A 76 76 GLU HA H 76 4.561 4.549 0.012 1
1 873 . 10 1 1 A 76 76 GLU CB C 76 28.925 29.402 -0.477 1
1 879 . 10 1 1 A 76 76 GLU C C 76 175.557 174.708 0.849 1
1 880 . 10 1 1 A 77 77 PRO CA C 77 62.726 62.849 -0.123 1
1 881 . 10 1 1 A 77 77 PRO HA H 77 4.584 4.707 -0.123 1
1 882 . 10 1 1 A 77 77 PRO CB C 77 32.153 32.602 -0.449 1
1 891 . 10 1 1 A 78 78 ARG N N 78 120.959 121.667 -0.708 1
1 892 . 10 1 1 A 78 78 ARG H H 78 8.814 8.716 0.098 1
1 893 . 10 1 1 A 78 78 ARG CA C 78 55.491 54.944 0.547 1
1 894 . 10 1 1 A 78 78 ARG HA H 78 4.743 4.738 0.005 1
1 895 . 10 1 1 A 78 78 ARG CB C 78 33.443 33.833 -0.390 1
1 904 . 10 1 1 A 79 79 LEU N N 79 125.756 125.964 -0.208 1
1 905 . 10 1 1 A 79 79 LEU H H 79 8.789 8.767 0.022 1
1 906 . 10 1 1 A 79 79 LEU CA C 79 54.346 54.190 0.156 1
1 907 . 10 1 1 A 79 79 LEU HA H 79 5.007 4.389 0.618 1
1 908 . 10 1 1 A 79 79 LEU CB C 79 44.609 40.987 3.622 1
1 917 . 10 1 1 A 80 80 ARG N N 80 121.792 117.137 4.655 1
1 918 . 10 1 1 A 80 80 ARG H H 80 8.908 8.005 0.903 1
1 919 . 10 1 1 A 80 80 ARG CA C 80 54.966 56.914 -1.948 1
1 920 . 10 1 1 A 80 80 ARG HA H 80 4.611 3.967 0.644 1
1 921 . 10 1 1 A 80 80 ARG CB C 80 32.686 28.043 4.643 1
1 924 . 10 1 1 A 81 81 LEU N N 81 126.556 119.789 6.767 1
1 925 . 10 1 1 A 81 81 LEU H H 81 8.702 8.031 0.671 1
1 926 . 10 1 1 A 81 81 LEU CA C 81 55.199 54.168 1.031 1
1 927 . 10 1 1 A 81 81 LEU HA H 81 4.472 4.517 -0.045 1
1 928 . 10 1 1 A 81 81 LEU CB C 81 42.368 41.441 0.927 1
1 941 . 10 1 1 A 82 82 CYS N N 82 121.583 120.315 1.268 1
1 942 . 10 1 1 A 82 82 CYS H H 82 8.466 7.377 1.089 1
1 943 . 10 1 1 A 82 82 CYS CA C 82 58.583 59.949 -1.366 1
1 944 . 10 1 1 A 82 82 CYS HA H 82 4.475 4.241 0.234 1
1 945 . 10 1 1 A 82 82 CYS CB C 82 28.438 28.133 0.305 1
1 948 . 10 1 1 A 83 83 ASP N N 83 122.639 126.508 -3.869 1
1 949 . 10 1 1 A 83 83 ASP H H 83 8.400 8.446 -0.046 1
1 950 . 10 1 1 A 83 83 ASP CA C 83 54.210 53.435 0.775 1
1 951 . 10 1 1 A 83 83 ASP HA H 83 4.654 5.022 -0.368 1
1 952 . 10 1 1 A 83 83 ASP CB C 83 41.291 41.565 -0.274 1
1 955 . 10 1 1 A 83 83 ASP C C 83 175.900 175.369 0.531 1
1 956 . 10 1 1 A 84 84 ASP N N 84 121.113 123.406 -2.293 1
1 957 . 10 1 1 A 84 84 ASP H H 84 8.310 8.868 -0.558 1
1 958 . 10 1 1 A 84 84 ASP CA C 84 54.330 54.691 -0.361 1
1 959 . 10 1 1 A 84 84 ASP HA H 84 4.650 4.476 0.174 1
1 960 . 10 1 1 A 84 84 ASP CB C 84 41.283 40.870 0.413 1
1 963 . 10 1 1 A 84 84 ASP C C 84 176.407 176.284 0.123 1
1 964 . 10 1 1 A 85 85 SER N N 85 116.212 115.800 0.412 1
1 965 . 10 1 1 A 85 85 SER H H 85 8.332 8.961 -0.629 1
1 966 . 10 1 1 A 85 85 SER CA C 85 58.819 58.910 -0.091 1
1 967 . 10 1 1 A 85 85 SER HA H 85 4.438 4.086 0.352 1
1 968 . 10 1 1 A 85 85 SER CB C 85 63.961 61.562 2.399 1
1 971 . 10 1 1 A 85 85 SER C C 85 174.867 174.038 0.829 1
1 972 . 10 1 1 A 86 86 GLY N N 86 110.652 108.937 1.715 1
1 973 . 10 1 1 A 86 86 GLY H H 86 8.251 8.116 0.135 1
1 974 . 10 1 1 A 86 86 GLY CA C 86 44.758 44.574 0.184 1
1 975 . 10 1 1 A 86 86 GLY HA2 H 86 4.109 4.023 0.086 1
1 976 . 10 1 1 A 86 86 GLY HA3 H 86 4.109 4.024 0.085 1
1 977 . 10 1 1 A 86 86 GLY C C 86 171.914 173.108 -1.194 1
1 978 . 10 1 1 A 87 87 PRO CA C 87 63.192 63.306 -0.114 1
1 979 . 10 1 1 A 87 87 PRO HA H 87 4.484 4.251 0.233 1
1 980 . 10 1 1 A 87 87 PRO CB C 87 32.243 32.336 -0.093 1
1 989 . 10 1 1 A 87 87 PRO C C 87 177.470 177.142 0.328 1
1 990 . 10 1 1 A 88 88 SER N N 88 116.433 118.070 -1.637 1
1 991 . 10 1 1 A 88 88 SER H H 88 8.518 8.915 -0.397 1
1 992 . 10 1 1 A 88 88 SER CA C 88 58.330 59.405 -1.075 1
1 993 . 10 1 1 A 88 88 SER HA H 88 4.571 4.120 0.451 1
1 994 . 10 1 1 A 88 88 SER CB C 88 63.896 62.421 1.475 1
1 997 . 10 1 1 A 88 88 SER C C 88 174.747 173.567 1.180 1
1 998 . 10 1 1 A 89 89 SER N N 89 117.882 113.446 4.436 1
1 999 . 10 1 1 A 89 89 SER H H 89 8.335 7.945 0.390 1
1 1000 . 10 1 1 A 89 89 SER CA C 89 58.497 57.289 1.208 1
1 1001 . 10 1 1 A 89 89 SER CB C 89 64.209 64.978 -0.769 1
1 1004 . 10 1 1 A 89 89 SER C C 89 174.100 174.191 -0.091 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.146 45.378 -0.232 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.966 3.867 0.099 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.966 3.867 0.099 1
1 4 . 11 1 1 A 7 7 GLY C C 7 173.687 173.651 0.036 1
1 5 . 11 1 1 A 8 8 LYS N N 8 122.140 119.092 3.048 1
1 6 . 11 1 1 A 8 8 LYS H H 8 8.107 8.099 0.008 1
1 7 . 11 1 1 A 8 8 LYS CA C 8 54.053 53.685 0.368 1
1 8 . 11 1 1 A 8 8 LYS HA H 8 4.620 4.995 -0.375 1
1 9 . 11 1 1 A 8 8 LYS CB C 8 32.649 34.853 -2.204 1
1 21 . 11 1 1 A 8 8 LYS C C 8 174.270 174.626 -0.356 1
1 22 . 11 1 1 A 9 9 PRO CA C 9 61.632 61.610 0.022 1
1 23 . 11 1 1 A 9 9 PRO HA H 9 4.687 4.670 0.017 1
1 24 . 11 1 1 A 9 9 PRO CB C 9 30.855 31.612 -0.757 1
1 33 . 11 1 1 A 10 10 PRO CA C 10 62.942 62.541 0.401 1
1 34 . 11 1 1 A 10 10 PRO HA H 10 4.473 4.619 -0.146 1
1 35 . 11 1 1 A 10 10 PRO CB C 10 32.197 33.055 -0.858 1
1 44 . 11 1 1 A 11 11 THR N N 11 128.434 112.246 16.188 1
1 45 . 11 1 1 A 11 11 THR H H 11 8.172 8.386 -0.214 1
1 46 . 11 1 1 A 11 11 THR CA C 11 61.644 60.246 1.398 1
1 47 . 11 1 1 A 11 11 THR HA H 11 4.357 4.973 -0.616 1
1 48 . 11 1 1 A 11 11 THR CB C 11 70.204 71.604 -1.400 1
1 54 . 11 1 1 A 12 12 TYR N N 12 120.312 126.080 -5.768 1
1 55 . 11 1 1 A 12 12 TYR H H 12 8.033 9.143 -1.110 1
1 56 . 11 1 1 A 12 12 TYR CA C 12 56.633 57.387 -0.754 1
1 57 . 11 1 1 A 12 12 TYR HA H 12 4.967 4.653 0.314 1
1 58 . 11 1 1 A 12 12 TYR CB C 12 40.403 38.177 2.226 1
1 69 . 11 1 1 A 13 13 GLN H H 13 8.634 8.322 0.312 1
1 70 . 11 1 1 A 13 13 GLN CA C 13 54.519 54.498 0.021 1
1 71 . 11 1 1 A 13 13 GLN HA H 13 4.626 4.738 -0.112 1
1 72 . 11 1 1 A 13 13 GLN CB C 13 31.183 29.495 1.688 1
1 81 . 11 1 1 A 14 14 VAL N N 14 124.270 122.342 1.928 1
1 82 . 11 1 1 A 14 14 VAL H H 14 8.773 7.849 0.924 1
1 83 . 11 1 1 A 14 14 VAL CA C 14 62.977 65.766 -2.789 1
1 84 . 11 1 1 A 14 14 VAL HA H 14 4.018 3.938 0.080 1
1 85 . 11 1 1 A 14 14 VAL CB C 14 32.909 31.691 1.218 1
1 95 . 11 1 1 A 15 15 LEU N N 15 128.403 119.269 9.134 1
1 96 . 11 1 1 A 15 15 LEU H H 15 8.726 8.209 0.517 1
1 97 . 11 1 1 A 15 15 LEU CA C 15 55.620 58.152 -2.532 1
1 98 . 11 1 1 A 15 15 LEU HA H 15 4.412 4.135 0.277 1
1 99 . 11 1 1 A 15 15 LEU CB C 15 42.580 41.847 0.733 1
1 112 . 11 1 1 A 16 16 GLU H H 16 8.687 8.053 0.634 1
1 113 . 11 1 1 A 16 16 GLU CA C 16 55.492 59.442 -3.950 1
1 114 . 11 1 1 A 16 16 GLU HA H 16 4.401 4.003 0.398 1
1 115 . 11 1 1 A 16 16 GLU CB C 16 32.409 29.768 2.641 1
1 120 . 11 1 1 A 17 17 TYR N N 17 124.726 117.828 6.898 1
1 121 . 11 1 1 A 17 17 TYR H H 17 8.505 7.703 0.802 1
1 122 . 11 1 1 A 17 17 TYR CA C 17 58.490 57.913 0.577 1
1 123 . 11 1 1 A 17 17 TYR HA H 17 4.598 4.521 0.077 1
1 124 . 11 1 1 A 17 17 TYR CB C 17 38.814 39.164 -0.350 1
1 135 . 11 1 1 A 18 18 GLY N N 18 106.652 110.830 -4.178 1
1 136 . 11 1 1 A 18 18 GLY H H 18 9.176 8.543 0.633 1
1 137 . 11 1 1 A 18 18 GLY CA C 18 43.947 44.532 -0.585 1
1 138 . 11 1 1 A 18 18 GLY HA2 H 18 3.646 4.084 -0.438 1
1 139 . 11 1 1 A 18 18 GLY HA3 H 18 4.287 4.089 0.198 1
1 140 . 11 1 1 A 19 19 GLU N N 19 122.571 121.126 1.445 1
1 141 . 11 1 1 A 19 19 GLU H H 19 9.450 8.445 1.005 1
1 142 . 11 1 1 A 19 19 GLU CA C 19 56.496 54.769 1.727 1
1 143 . 11 1 1 A 19 19 GLU HA H 19 5.218 5.223 -0.005 1
1 144 . 11 1 1 A 19 19 GLU CB C 19 34.419 33.453 0.966 1
1 149 . 11 1 1 A 19 19 GLU C C 19 173.496 174.970 -1.474 1
1 150 . 11 1 1 A 20 20 ALA N N 20 125.442 126.310 -0.868 1
1 151 . 11 1 1 A 20 20 ALA H H 20 8.813 8.580 0.233 1
1 152 . 11 1 1 A 20 20 ALA CA C 20 50.154 51.220 -1.066 1
1 153 . 11 1 1 A 20 20 ALA HA H 20 5.132 5.073 0.059 1
1 154 . 11 1 1 A 20 20 ALA CB C 20 24.742 23.518 1.224 1
1 158 . 11 1 1 A 20 20 ALA C C 20 174.555 175.145 -0.590 1
1 159 . 11 1 1 A 21 21 VAL N N 21 117.729 119.638 -1.909 1
1 160 . 11 1 1 A 21 21 VAL H H 21 8.118 8.349 -0.231 1
1 161 . 11 1 1 A 21 21 VAL CA C 21 60.211 60.134 0.077 1
1 162 . 11 1 1 A 21 21 VAL HA H 21 4.478 4.431 0.047 1
1 163 . 11 1 1 A 21 21 VAL CB C 21 34.751 34.917 -0.166 1
1 173 . 11 1 1 A 21 21 VAL C C 21 176.351 175.115 1.236 1
1 174 . 11 1 1 A 22 22 ALA N N 22 130.024 129.479 0.545 1
1 175 . 11 1 1 A 22 22 ALA H H 22 8.689 8.287 0.402 1
1 176 . 11 1 1 A 22 22 ALA CA C 22 53.496 52.951 0.545 1
1 177 . 11 1 1 A 22 22 ALA HA H 22 4.170 4.175 -0.005 1
1 178 . 11 1 1 A 22 22 ALA CB C 22 20.793 18.862 1.931 1
1 182 . 11 1 1 A 22 22 ALA C C 22 178.156 176.591 1.565 1
1 183 . 11 1 1 A 23 23 GLN N N 23 126.904 122.658 4.246 1
1 184 . 11 1 1 A 23 23 GLN H H 23 9.442 9.008 0.434 1
1 185 . 11 1 1 A 23 23 GLN CA C 23 55.611 57.248 -1.637 1
1 186 . 11 1 1 A 23 23 GLN HA H 23 4.202 4.344 -0.142 1
1 187 . 11 1 1 A 23 23 GLN CB C 23 30.345 30.085 0.260 1
1 196 . 11 1 1 A 23 23 GLN C C 23 173.200 175.660 -2.460 1
1 197 . 11 1 1 A 24 24 TYR N N 24 115.157 116.127 -0.970 1
1 198 . 11 1 1 A 24 24 TYR H H 24 7.696 7.576 0.120 1
1 199 . 11 1 1 A 24 24 TYR CA C 24 55.303 56.665 -1.362 1
1 200 . 11 1 1 A 24 24 TYR HA H 24 4.847 5.264 -0.417 1
1 201 . 11 1 1 A 24 24 TYR CB C 24 43.087 41.701 1.386 1
1 212 . 11 1 1 A 24 24 TYR C C 24 173.829 175.930 -2.101 1
1 213 . 11 1 1 A 25 25 THR N N 25 118.997 119.977 -0.980 1
1 214 . 11 1 1 A 25 25 THR H H 25 8.697 8.971 -0.274 1
1 215 . 11 1 1 A 25 25 THR CA C 25 63.201 64.060 -0.859 1
1 216 . 11 1 1 A 25 25 THR HA H 25 4.483 4.441 0.042 1
1 217 . 11 1 1 A 25 25 THR CB C 25 70.228 69.035 1.193 1
1 223 . 11 1 1 A 25 25 THR C C 25 173.214 174.219 -1.005 1
1 224 . 11 1 1 A 26 26 PHE N N 26 129.691 127.685 2.006 1
1 225 . 11 1 1 A 26 26 PHE H H 26 8.460 8.282 0.178 1
1 226 . 11 1 1 A 26 26 PHE CA C 26 55.887 57.995 -2.108 1
1 227 . 11 1 1 A 26 26 PHE HA H 26 4.631 4.958 -0.327 1
1 228 . 11 1 1 A 26 26 PHE CB C 26 42.134 40.594 1.540 1
1 241 . 11 1 1 A 26 26 PHE C C 26 173.089 174.496 -1.407 1
1 242 . 11 1 1 A 27 27 LYS N N 27 129.755 125.407 4.348 1
1 243 . 11 1 1 A 27 27 LYS H H 27 7.879 7.302 0.577 1
1 244 . 11 1 1 A 27 27 LYS CA C 27 54.562 54.477 0.085 1
1 245 . 11 1 1 A 27 27 LYS HA H 27 4.023 4.812 -0.789 1
1 246 . 11 1 1 A 27 27 LYS CB C 27 32.490 35.346 -2.856 1
1 258 . 11 1 1 A 27 27 LYS C C 27 174.852 174.583 0.269 1
1 259 . 11 1 1 A 28 28 GLY N N 28 113.171 113.400 -0.229 1
1 260 . 11 1 1 A 28 28 GLY H H 28 7.726 8.974 -1.248 1
1 261 . 11 1 1 A 28 28 GLY CA C 28 45.922 44.510 1.412 1
1 262 . 11 1 1 A 28 28 GLY HA2 H 28 3.151 4.463 -1.312 1
1 263 . 11 1 1 A 28 28 GLY HA3 H 28 3.619 4.694 -1.075 1
1 264 . 11 1 1 A 28 28 GLY C C 28 173.250 173.737 -0.487 1
1 265 . 11 1 1 A 29 29 ASP N N 29 121.578 120.515 1.063 1
1 266 . 11 1 1 A 29 29 ASP H H 29 8.743 8.905 -0.162 1
1 267 . 11 1 1 A 29 29 ASP CA C 29 55.162 54.955 0.207 1
1 268 . 11 1 1 A 29 29 ASP HA H 29 4.616 4.768 -0.152 1
1 269 . 11 1 1 A 29 29 ASP CB C 29 42.815 42.959 -0.144 1
1 272 . 11 1 1 A 29 29 ASP C C 29 176.583 176.464 0.119 1
1 273 . 11 1 1 A 30 30 LEU N N 30 119.139 120.270 -1.131 1
1 274 . 11 1 1 A 30 30 LEU H H 30 8.069 7.538 0.531 1
1 275 . 11 1 1 A 30 30 LEU CA C 30 54.174 54.912 -0.738 1
1 276 . 11 1 1 A 30 30 LEU HA H 30 4.585 4.356 0.229 1
1 277 . 11 1 1 A 30 30 LEU CB C 30 44.109 42.431 1.678 1
1 290 . 11 1 1 A 30 30 LEU C C 30 179.241 177.951 1.290 1
1 291 . 11 1 1 A 31 31 GLU N N 31 122.182 122.021 0.161 1
1 292 . 11 1 1 A 31 31 GLU H H 31 8.905 8.982 -0.077 1
1 293 . 11 1 1 A 31 31 GLU CA C 31 59.392 59.646 -0.254 1
1 294 . 11 1 1 A 31 31 GLU HA H 31 4.151 4.034 0.117 1
1 295 . 11 1 1 A 31 31 GLU CB C 31 29.605 29.598 0.007 1
1 301 . 11 1 1 A 31 31 GLU C C 31 177.520 178.745 -1.225 1
1 302 . 11 1 1 A 32 32 VAL N N 32 108.281 117.477 -9.196 1
1 303 . 11 1 1 A 32 32 VAL H H 32 7.186 7.807 -0.621 1
1 304 . 11 1 1 A 32 32 VAL CA C 32 61.950 65.313 -3.363 1
1 305 . 11 1 1 A 32 32 VAL HA H 32 4.365 3.812 0.553 1
1 306 . 11 1 1 A 32 32 VAL CB C 32 32.222 31.555 0.667 1
1 316 . 11 1 1 A 32 32 VAL C C 32 176.602 176.564 0.038 1
1 317 . 11 1 1 A 33 33 GLU N N 33 120.835 121.533 -0.698 1
1 318 . 11 1 1 A 33 33 GLU H H 33 7.751 7.912 -0.161 1
1 319 . 11 1 1 A 33 33 GLU CA C 33 55.560 56.172 -0.612 1
1 320 . 11 1 1 A 33 33 GLU HA H 33 5.106 4.548 0.558 1
1 321 . 11 1 1 A 33 33 GLU CB C 33 31.354 29.461 1.893 1
1 327 . 11 1 1 A 33 33 GLU C C 33 176.180 175.989 0.191 1
1 328 . 11 1 1 A 34 34 LEU N N 34 126.568 128.463 -1.895 1
1 329 . 11 1 1 A 34 34 LEU H H 34 9.073 8.755 0.318 1
1 330 . 11 1 1 A 34 34 LEU CA C 34 53.385 54.480 -1.095 1
1 331 . 11 1 1 A 34 34 LEU HA H 34 4.481 4.909 -0.428 1
1 332 . 11 1 1 A 34 34 LEU CB C 34 44.305 43.194 1.111 1
1 345 . 11 1 1 A 34 34 LEU C C 34 173.373 175.003 -1.630 1
1 346 . 11 1 1 A 35 35 SER N N 35 116.987 125.197 -8.210 1
1 347 . 11 1 1 A 35 35 SER H H 35 7.561 8.755 -1.194 1
1 348 . 11 1 1 A 35 35 SER CA C 35 58.335 58.301 0.034 1
1 349 . 11 1 1 A 35 35 SER HA H 35 4.569 5.078 -0.509 1
1 350 . 11 1 1 A 35 35 SER CB C 35 64.536 64.798 -0.262 1
1 353 . 11 1 1 A 35 35 SER C C 35 174.513 173.889 0.624 1
1 354 . 11 1 1 A 36 36 PHE N N 36 117.028 120.044 -3.016 1
1 355 . 11 1 1 A 36 36 PHE H H 36 8.339 8.305 0.034 1
1 356 . 11 1 1 A 36 36 PHE CA C 36 55.938 55.718 0.220 1
1 357 . 11 1 1 A 36 36 PHE HA H 36 4.647 5.245 -0.598 1
1 358 . 11 1 1 A 36 36 PHE CB C 36 39.959 41.566 -1.607 1
1 371 . 11 1 1 A 36 36 PHE C C 36 174.055 172.358 1.697 1
1 372 . 11 1 1 A 37 37 ARG N N 37 120.296 119.722 0.574 1
1 373 . 11 1 1 A 37 37 ARG H H 37 9.859 8.703 1.156 1
1 374 . 11 1 1 A 37 37 ARG CA C 37 53.915 54.514 -0.599 1
1 375 . 11 1 1 A 37 37 ARG HA H 37 4.929 4.930 -0.001 1
1 376 . 11 1 1 A 37 37 ARG CB C 37 32.735 32.479 0.256 1
1 385 . 11 1 1 A 37 37 ARG C C 37 175.793 175.727 0.066 1
1 386 . 11 1 1 A 38 38 LYS N N 38 121.649 124.233 -2.584 1
1 387 . 11 1 1 A 38 38 LYS H H 38 7.938 8.336 -0.398 1
1 388 . 11 1 1 A 38 38 LYS CA C 38 58.880 58.271 0.609 1
1 389 . 11 1 1 A 38 38 LYS HA H 38 3.291 3.969 -0.678 1
1 390 . 11 1 1 A 38 38 LYS CB C 38 32.755 32.118 0.637 1
1 402 . 11 1 1 A 38 38 LYS C C 38 176.459 177.272 -0.813 1
1 403 . 11 1 1 A 39 39 GLY N N 39 114.431 114.943 -0.512 1
1 404 . 11 1 1 A 39 39 GLY H H 39 8.618 9.320 -0.702 1
1 405 . 11 1 1 A 39 39 GLY CA C 39 44.652 45.154 -0.502 1
1 406 . 11 1 1 A 39 39 GLY HA2 H 39 3.438 4.014 -0.576 1
1 407 . 11 1 1 A 39 39 GLY HA3 H 39 4.399 4.032 0.367 1
1 408 . 11 1 1 A 39 39 GLY C C 39 174.586 174.389 0.197 1
1 409 . 11 1 1 A 40 40 GLU N N 40 119.554 121.066 -1.512 1
1 410 . 11 1 1 A 40 40 GLU H H 40 7.931 7.652 0.279 1
1 411 . 11 1 1 A 40 40 GLU CA C 40 59.197 57.577 1.620 1
1 412 . 11 1 1 A 40 40 GLU HA H 40 4.272 4.357 -0.085 1
1 413 . 11 1 1 A 40 40 GLU CB C 40 30.759 30.645 0.114 1
1 419 . 11 1 1 A 40 40 GLU C C 40 175.278 175.636 -0.358 1
1 420 . 11 1 1 A 41 41 HIS N N 41 121.677 120.152 1.525 1
1 421 . 11 1 1 A 41 41 HIS H H 41 8.837 8.994 -0.157 1
1 422 . 11 1 1 A 41 41 HIS CA C 41 56.432 54.569 1.863 1
1 423 . 11 1 1 A 41 41 HIS HA H 41 4.817 4.984 -0.167 1
1 424 . 11 1 1 A 41 41 HIS CB C 41 30.260 29.822 0.438 1
1 431 . 11 1 1 A 41 41 HIS C C 41 174.622 174.344 0.278 1
1 432 . 11 1 1 A 42 42 ILE N N 42 123.889 124.353 -0.464 1
1 433 . 11 1 1 A 42 42 ILE H H 42 8.753 8.568 0.185 1
1 434 . 11 1 1 A 42 42 ILE CA C 42 60.433 60.751 -0.318 1
1 435 . 11 1 1 A 42 42 ILE HA H 42 4.079 4.129 -0.050 1
1 436 . 11 1 1 A 42 42 ILE CB C 42 42.258 37.857 4.401 1
1 449 . 11 1 1 A 42 42 ILE C C 42 174.377 175.419 -1.042 1
1 450 . 11 1 1 A 43 43 CYS N N 43 127.431 126.841 0.590 1
1 451 . 11 1 1 A 43 43 CYS H H 43 8.877 8.313 0.564 1
1 452 . 11 1 1 A 43 43 CYS CA C 43 57.909 57.612 0.297 1
1 453 . 11 1 1 A 43 43 CYS HA H 43 4.654 4.909 -0.255 1
1 454 . 11 1 1 A 43 43 CYS CB C 43 26.650 29.633 -2.983 1
1 457 . 11 1 1 A 43 43 CYS C C 43 174.875 173.580 1.295 1
1 458 . 11 1 1 A 44 44 LEU N N 44 126.732 128.445 -1.713 1
1 459 . 11 1 1 A 44 44 LEU H H 44 7.724 8.654 -0.930 1
1 460 . 11 1 1 A 44 44 LEU CA C 44 53.741 54.450 -0.709 1
1 461 . 11 1 1 A 44 44 LEU HA H 44 4.546 4.496 0.050 1
1 462 . 11 1 1 A 44 44 LEU CB C 44 43.286 40.642 2.644 1
1 475 . 11 1 1 A 44 44 LEU C C 44 175.004 176.218 -1.214 1
1 476 . 11 1 1 A 45 45 ILE N N 45 125.519 126.928 -1.409 1
1 477 . 11 1 1 A 45 45 ILE H H 45 9.058 8.454 0.604 1
1 478 . 11 1 1 A 45 45 ILE CA C 45 63.488 64.131 -0.643 1
1 479 . 11 1 1 A 45 45 ILE HA H 45 4.121 3.601 0.520 1
1 480 . 11 1 1 A 45 45 ILE CB C 45 39.808 38.108 1.700 1
1 493 . 11 1 1 A 46 46 ARG N N 46 105.448 115.727 -10.279 1
1 494 . 11 1 1 A 46 46 ARG H H 46 7.377 7.270 0.107 1
1 495 . 11 1 1 A 46 46 ARG CA C 46 54.848 54.647 0.201 1
1 496 . 11 1 1 A 46 46 ARG HA H 46 4.576 4.876 -0.300 1
1 497 . 11 1 1 A 46 46 ARG CB C 46 32.078 33.387 -1.309 1
1 508 . 11 1 1 A 46 46 ARG C C 46 174.353 174.056 0.297 1
1 509 . 11 1 1 A 47 47 LYS N N 47 124.397 123.513 0.884 1
1 510 . 11 1 1 A 47 47 LYS H H 47 9.254 8.639 0.615 1
1 511 . 11 1 1 A 47 47 LYS CA C 47 56.832 55.872 0.960 1
1 512 . 11 1 1 A 47 47 LYS HA H 47 4.353 4.328 0.025 1
1 513 . 11 1 1 A 47 47 LYS CB C 47 32.868 32.136 0.732 1
1 525 . 11 1 1 A 47 47 LYS C C 47 176.540 176.020 0.520 1
1 526 . 11 1 1 A 48 48 VAL N N 48 126.203 126.855 -0.652 1
1 527 . 11 1 1 A 48 48 VAL H H 48 8.289 8.342 -0.053 1
1 528 . 11 1 1 A 48 48 VAL CA C 48 63.966 65.133 -1.167 1
1 529 . 11 1 1 A 48 48 VAL HA H 48 3.784 3.790 -0.006 1
1 530 . 11 1 1 A 48 48 VAL CB C 48 33.030 32.038 0.992 1
1 540 . 11 1 1 A 48 48 VAL C C 48 175.547 175.066 0.481 1
1 541 . 11 1 1 A 49 49 ASN N N 49 115.717 116.243 -0.526 1
1 542 . 11 1 1 A 49 49 ASN H H 49 8.167 7.639 0.528 1
1 543 . 11 1 1 A 49 49 ASN CA C 49 52.768 51.615 1.153 1
1 544 . 11 1 1 A 49 49 ASN HA H 49 4.428 5.071 -0.643 1
1 545 . 11 1 1 A 49 49 ASN CB C 49 37.683 42.412 -4.729 1
1 551 . 11 1 1 A 49 49 ASN C C 49 174.537 175.804 -1.267 1
1 552 . 11 1 1 A 50 50 GLU N N 50 114.361 121.060 -6.699 1
1 553 . 11 1 1 A 50 50 GLU H H 50 8.781 9.081 -0.300 1
1 554 . 11 1 1 A 50 50 GLU CA C 50 59.835 58.436 1.399 1
1 555 . 11 1 1 A 50 50 GLU HA H 50 3.947 4.025 -0.078 1
1 556 . 11 1 1 A 50 50 GLU CB C 50 29.534 28.953 0.581 1
1 562 . 11 1 1 A 50 50 GLU C C 50 176.796 176.361 0.435 1
1 563 . 11 1 1 A 51 51 ASN N N 51 112.673 116.521 -3.848 1
1 564 . 11 1 1 A 51 51 ASN H H 51 8.535 7.724 0.811 1
1 565 . 11 1 1 A 51 51 ASN CA C 51 53.328 54.156 -0.828 1
1 566 . 11 1 1 A 51 51 ASN HA H 51 4.968 4.793 0.175 1
1 567 . 11 1 1 A 51 51 ASN CB C 51 41.171 41.134 0.037 1
1 573 . 11 1 1 A 51 51 ASN C C 51 174.756 175.254 -0.498 1
1 574 . 11 1 1 A 52 52 TRP N N 52 121.399 118.449 2.950 1
1 575 . 11 1 1 A 52 52 TRP H H 52 7.726 7.798 -0.072 1
1 576 . 11 1 1 A 52 52 TRP CA C 52 57.485 58.002 -0.517 1
1 577 . 11 1 1 A 52 52 TRP HA H 52 5.072 4.644 0.428 1
1 578 . 11 1 1 A 52 52 TRP CB C 52 31.703 30.153 1.550 1
1 593 . 11 1 1 A 52 52 TRP C C 52 174.756 176.203 -1.447 1
1 594 . 11 1 1 A 53 53 TYR N N 53 118.564 120.502 -1.938 1
1 595 . 11 1 1 A 53 53 TYR H H 53 8.443 8.761 -0.318 1
1 596 . 11 1 1 A 53 53 TYR CA C 53 57.305 55.865 1.440 1
1 597 . 11 1 1 A 53 53 TYR HA H 53 4.978 4.919 0.059 1
1 598 . 11 1 1 A 53 53 TYR CB C 53 44.030 41.398 2.632 1
1 609 . 11 1 1 A 53 53 TYR C C 53 174.045 174.076 -0.031 1
1 610 . 11 1 1 A 54 54 GLU N N 54 117.557 124.797 -7.240 1
1 611 . 11 1 1 A 54 54 GLU H H 54 8.906 8.689 0.217 1
1 612 . 11 1 1 A 54 54 GLU CA C 54 54.986 55.714 -0.728 1
1 613 . 11 1 1 A 54 54 GLU HA H 54 5.059 4.886 0.173 1
1 614 . 11 1 1 A 54 54 GLU CB C 54 32.458 30.806 1.652 1
1 620 . 11 1 1 A 54 54 GLU C C 54 176.438 175.752 0.686 1
1 621 . 11 1 1 A 55 55 GLY N N 55 114.051 113.101 0.950 1
1 622 . 11 1 1 A 55 55 GLY H H 55 9.556 8.734 0.822 1
1 623 . 11 1 1 A 55 55 GLY CA C 55 45.816 44.998 0.818 1
1 624 . 11 1 1 A 55 55 GLY HA2 H 55 5.166 4.444 0.722 1
1 625 . 11 1 1 A 55 55 GLY HA3 H 55 3.929 4.628 -0.699 1
1 626 . 11 1 1 A 55 55 GLY C C 55 169.584 172.949 -3.365 1
1 627 . 11 1 1 A 56 56 ARG N N 56 116.523 116.057 0.466 1
1 628 . 11 1 1 A 56 56 ARG H H 56 9.093 8.350 0.743 1
1 629 . 11 1 1 A 56 56 ARG CA C 56 53.977 54.478 -0.501 1
1 630 . 11 1 1 A 56 56 ARG HA H 56 5.528 5.103 0.425 1
1 631 . 11 1 1 A 56 56 ARG CB C 56 34.963 33.708 1.255 1
1 640 . 11 1 1 A 56 56 ARG C C 56 174.325 174.721 -0.396 1
1 641 . 11 1 1 A 57 57 ILE N N 57 123.690 123.811 -0.121 1
1 642 . 11 1 1 A 57 57 ILE H H 57 8.230 8.678 -0.448 1
1 643 . 11 1 1 A 57 57 ILE CA C 57 59.706 61.863 -2.157 1
1 644 . 11 1 1 A 57 57 ILE HA H 57 4.585 4.093 0.492 1
1 645 . 11 1 1 A 57 57 ILE CB C 57 35.623 37.363 -1.740 1
1 658 . 11 1 1 A 57 57 ILE C C 57 177.239 176.271 0.968 1
1 659 . 11 1 1 A 58 58 THR N N 58 112.797 122.627 -9.830 1
1 660 . 11 1 1 A 58 58 THR H H 58 8.805 8.570 0.235 1
1 661 . 11 1 1 A 58 58 THR CA C 58 65.598 63.727 1.871 1
1 662 . 11 1 1 A 58 58 THR HA H 58 3.857 4.060 -0.203 1
1 663 . 11 1 1 A 58 58 THR CB C 58 68.553 68.719 -0.166 1
1 669 . 11 1 1 A 59 59 GLY CA C 59 45.463 45.458 0.005 1
1 670 . 11 1 1 A 59 59 GLY HA2 H 59 3.834 3.967 -0.133 1
1 671 . 11 1 1 A 59 59 GLY HA3 H 59 4.266 3.968 0.298 1
1 672 . 11 1 1 A 59 59 GLY C C 59 174.543 174.131 0.412 1
1 673 . 11 1 1 A 60 60 THR N N 60 108.632 112.039 -3.407 1
1 674 . 11 1 1 A 60 60 THR H H 60 7.779 7.695 0.084 1
1 675 . 11 1 1 A 60 60 THR CA C 60 61.017 60.415 0.602 1
1 676 . 11 1 1 A 60 60 THR HA H 60 4.892 4.649 0.243 1
1 677 . 11 1 1 A 60 60 THR CB C 60 72.426 71.602 0.824 1
1 683 . 11 1 1 A 60 60 THR C C 60 175.144 174.487 0.657 1
1 684 . 11 1 1 A 61 61 GLY CA C 61 45.320 46.361 -1.041 1
1 685 . 11 1 1 A 61 61 GLY HA2 H 61 3.930 3.839 0.091 1
1 686 . 11 1 1 A 61 61 GLY HA3 H 61 4.183 3.841 0.342 1
1 687 . 11 1 1 A 61 61 GLY C C 61 174.641 173.897 0.744 1
1 688 . 11 1 1 A 62 62 ARG N N 62 121.575 118.593 2.982 1
1 689 . 11 1 1 A 62 62 ARG H H 62 8.229 7.610 0.619 1
1 690 . 11 1 1 A 62 62 ARG CA C 62 56.440 55.045 1.395 1
1 691 . 11 1 1 A 62 62 ARG HA H 62 4.380 4.776 -0.396 1
1 692 . 11 1 1 A 62 62 ARG CB C 62 30.667 32.553 -1.886 1
1 701 . 11 1 1 A 62 62 ARG C C 62 174.530 175.177 -0.647 1
1 702 . 11 1 1 A 63 63 GLN N N 63 124.206 122.376 1.830 1
1 703 . 11 1 1 A 63 63 GLN H H 63 8.473 8.721 -0.248 1
1 704 . 11 1 1 A 63 63 GLN CA C 63 54.768 55.452 -0.684 1
1 705 . 11 1 1 A 63 63 GLN HA H 63 5.449 4.990 0.459 1
1 706 . 11 1 1 A 63 63 GLN CB C 63 32.243 32.035 0.208 1
1 715 . 11 1 1 A 63 63 GLN C C 63 174.555 174.699 -0.144 1
1 716 . 11 1 1 A 64 64 GLY N N 64 111.132 110.128 1.004 1
1 717 . 11 1 1 A 64 64 GLY H H 64 8.962 8.377 0.585 1
1 718 . 11 1 1 A 64 64 GLY CA C 64 45.780 45.941 -0.161 1
1 719 . 11 1 1 A 64 64 GLY HA2 H 64 4.498 4.222 0.276 1
1 720 . 11 1 1 A 64 64 GLY HA3 H 64 4.351 4.269 0.082 1
1 721 . 11 1 1 A 64 64 GLY C C 64 172.117 172.205 -0.088 1
1 722 . 11 1 1 A 65 65 ILE N N 65 114.051 116.378 -2.327 1
1 723 . 11 1 1 A 65 65 ILE H H 65 8.824 8.727 0.097 1
1 724 . 11 1 1 A 65 65 ILE CA C 65 59.949 59.256 0.693 1
1 725 . 11 1 1 A 65 65 ILE HA H 65 6.195 5.188 1.007 1
1 726 . 11 1 1 A 65 65 ILE CB C 65 41.669 40.123 1.546 1
1 739 . 11 1 1 A 65 65 ILE C C 65 176.874 175.364 1.510 1
1 740 . 11 1 1 A 66 66 PHE N N 66 116.902 118.659 -1.757 1
1 741 . 11 1 1 A 66 66 PHE H H 66 8.770 8.460 0.310 1
1 742 . 11 1 1 A 66 66 PHE CA C 66 56.114 55.317 0.797 1
1 743 . 11 1 1 A 66 66 PHE HA H 66 4.952 4.973 -0.021 1
1 744 . 11 1 1 A 66 66 PHE CB C 66 38.504 39.837 -1.333 1
1 757 . 11 1 1 A 66 66 PHE C C 66 170.992 171.828 -0.836 1
1 758 . 11 1 1 A 67 67 PRO CA C 67 61.161 62.311 -1.150 1
1 759 . 11 1 1 A 67 67 PRO HA H 67 3.678 4.303 -0.625 1
1 760 . 11 1 1 A 67 67 PRO CB C 67 30.788 31.256 -0.468 1
1 769 . 11 1 1 A 67 67 PRO C C 67 177.819 177.892 -0.073 1
1 770 . 11 1 1 A 68 68 ALA N N 68 126.195 128.826 -2.631 1
1 771 . 11 1 1 A 68 68 ALA H H 68 8.458 8.599 -0.141 1
1 772 . 11 1 1 A 68 68 ALA CA C 68 54.676 55.476 -0.800 1
1 773 . 11 1 1 A 68 68 ALA HA H 68 4.008 4.154 -0.146 1
1 774 . 11 1 1 A 68 68 ALA CB C 68 18.986 18.649 0.337 1
1 778 . 11 1 1 A 68 68 ALA C C 68 178.933 179.643 -0.710 1
1 779 . 11 1 1 A 69 69 SER N N 69 110.156 112.817 -2.661 1
1 780 . 11 1 1 A 69 69 SER H H 69 8.370 8.398 -0.028 1
1 781 . 11 1 1 A 69 69 SER CA C 69 60.250 61.440 -1.190 1
1 782 . 11 1 1 A 69 69 SER HA H 69 4.265 4.124 0.141 1
1 783 . 11 1 1 A 69 69 SER CB C 69 62.718 63.131 -0.413 1
1 786 . 11 1 1 A 69 69 SER C C 69 175.748 176.688 -0.940 1
1 787 . 11 1 1 A 70 70 TYR N N 70 119.475 120.113 -0.638 1
1 788 . 11 1 1 A 70 70 TYR H H 70 7.728 8.117 -0.389 1
1 789 . 11 1 1 A 70 70 TYR CA C 70 60.061 60.325 -0.264 1
1 790 . 11 1 1 A 70 70 TYR HA H 70 4.620 4.550 0.070 1
1 791 . 11 1 1 A 70 70 TYR CB C 70 39.039 38.188 0.851 1
1 802 . 11 1 1 A 70 70 TYR C C 70 176.140 176.470 -0.330 1
1 803 . 11 1 1 A 71 71 VAL N N 71 110.320 116.887 -6.567 1
1 804 . 11 1 1 A 71 71 VAL H H 71 8.064 7.844 0.220 1
1 805 . 11 1 1 A 71 71 VAL CA C 71 58.737 60.147 -1.410 1
1 806 . 11 1 1 A 71 71 VAL HA H 71 5.073 4.539 0.534 1
1 807 . 11 1 1 A 71 71 VAL CB C 71 35.550 34.118 1.432 1
1 817 . 11 1 1 A 71 71 VAL C C 71 173.044 174.044 -1.000 1
1 818 . 11 1 1 A 72 72 GLN N N 72 119.621 121.843 -2.222 1
1 819 . 11 1 1 A 72 72 GLN H H 72 8.448 8.798 -0.350 1
1 820 . 11 1 1 A 72 72 GLN CA C 72 54.351 54.280 0.071 1
1 821 . 11 1 1 A 72 72 GLN HA H 72 4.724 4.852 -0.128 1
1 822 . 11 1 1 A 72 72 GLN CB C 72 30.373 31.869 -1.496 1
1 831 . 11 1 1 A 72 72 GLN C C 72 176.050 174.426 1.624 1
1 832 . 11 1 1 A 73 73 VAL N N 73 130.439 127.732 2.707 1
1 833 . 11 1 1 A 73 73 VAL H H 73 9.369 8.920 0.449 1
1 834 . 11 1 1 A 73 73 VAL CA C 73 63.957 62.731 1.226 1
1 835 . 11 1 1 A 73 73 VAL HA H 73 3.856 4.035 -0.179 1
1 836 . 11 1 1 A 73 73 VAL CB C 73 32.616 31.430 1.186 1
1 846 . 11 1 1 A 73 73 VAL C C 73 176.043 175.898 0.145 1
1 847 . 11 1 1 A 74 74 SER N N 74 123.766 122.796 0.970 1
1 848 . 11 1 1 A 74 74 SER H H 74 8.708 8.603 0.105 1
1 849 . 11 1 1 A 74 74 SER CA C 74 58.930 59.683 -0.753 1
1 850 . 11 1 1 A 74 74 SER HA H 74 4.627 4.540 0.087 1
1 851 . 11 1 1 A 74 74 SER CB C 74 63.548 65.112 -1.564 1
1 854 . 11 1 1 A 74 74 SER C C 74 174.821 173.755 1.066 1
1 855 . 11 1 1 A 75 75 ARG N N 75 122.335 119.572 2.763 1
1 856 . 11 1 1 A 75 75 ARG H H 75 7.690 7.298 0.392 1
1 857 . 11 1 1 A 75 75 ARG CA C 75 56.185 55.054 1.131 1
1 858 . 11 1 1 A 75 75 ARG HA H 75 4.526 4.852 -0.326 1
1 859 . 11 1 1 A 75 75 ARG CB C 75 33.734 33.254 0.480 1
1 868 . 11 1 1 A 75 75 ARG C C 75 174.824 174.555 0.269 1
1 869 . 11 1 1 A 76 76 GLU N N 76 126.797 126.978 -0.181 1
1 870 . 11 1 1 A 76 76 GLU H H 76 8.916 8.540 0.376 1
1 871 . 11 1 1 A 76 76 GLU CA C 76 54.874 54.963 -0.089 1
1 872 . 11 1 1 A 76 76 GLU HA H 76 4.561 4.548 0.013 1
1 873 . 11 1 1 A 76 76 GLU CB C 76 28.925 29.263 -0.338 1
1 879 . 11 1 1 A 76 76 GLU C C 76 175.557 174.713 0.844 1
1 880 . 11 1 1 A 77 77 PRO CA C 77 62.726 62.575 0.151 1
1 881 . 11 1 1 A 77 77 PRO HA H 77 4.584 4.695 -0.111 1
1 882 . 11 1 1 A 77 77 PRO CB C 77 32.153 33.160 -1.007 1
1 891 . 11 1 1 A 78 78 ARG N N 78 120.959 122.181 -1.222 1
1 892 . 11 1 1 A 78 78 ARG H H 78 8.814 8.857 -0.043 1
1 893 . 11 1 1 A 78 78 ARG CA C 78 55.491 55.611 -0.120 1
1 894 . 11 1 1 A 78 78 ARG HA H 78 4.743 4.778 -0.035 1
1 895 . 11 1 1 A 78 78 ARG CB C 78 33.443 33.723 -0.280 1
1 904 . 11 1 1 A 79 79 LEU N N 79 125.756 126.876 -1.120 1
1 905 . 11 1 1 A 79 79 LEU H H 79 8.789 8.676 0.113 1
1 906 . 11 1 1 A 79 79 LEU CA C 79 54.346 56.023 -1.677 1
1 907 . 11 1 1 A 79 79 LEU HA H 79 5.007 4.376 0.631 1
1 908 . 11 1 1 A 79 79 LEU CB C 79 44.609 42.612 1.997 1
1 917 . 11 1 1 A 80 80 ARG N N 80 121.792 117.210 4.582 1
1 918 . 11 1 1 A 80 80 ARG H H 80 8.908 7.962 0.946 1
1 919 . 11 1 1 A 80 80 ARG CA C 80 54.966 54.756 0.210 1
1 920 . 11 1 1 A 80 80 ARG HA H 80 4.611 4.583 0.028 1
1 921 . 11 1 1 A 80 80 ARG CB C 80 32.686 30.960 1.726 1
1 924 . 11 1 1 A 81 81 LEU N N 81 126.556 122.672 3.884 1
1 925 . 11 1 1 A 81 81 LEU H H 81 8.702 7.601 1.101 1
1 926 . 11 1 1 A 81 81 LEU CA C 81 55.199 54.044 1.155 1
1 927 . 11 1 1 A 81 81 LEU HA H 81 4.472 4.636 -0.164 1
1 928 . 11 1 1 A 81 81 LEU CB C 81 42.368 42.026 0.342 1
1 941 . 11 1 1 A 82 82 CYS N N 82 121.583 120.132 1.451 1
1 942 . 11 1 1 A 82 82 CYS H H 82 8.466 7.435 1.031 1
1 943 . 11 1 1 A 82 82 CYS CA C 82 58.583 58.658 -0.075 1
1 944 . 11 1 1 A 82 82 CYS HA H 82 4.475 4.284 0.191 1
1 945 . 11 1 1 A 82 82 CYS CB C 82 28.438 27.723 0.715 1
1 948 . 11 1 1 A 83 83 ASP N N 83 122.639 125.278 -2.639 1
1 949 . 11 1 1 A 83 83 ASP H H 83 8.400 8.622 -0.222 1
1 950 . 11 1 1 A 83 83 ASP CA C 83 54.210 52.855 1.355 1
1 951 . 11 1 1 A 83 83 ASP HA H 83 4.654 5.143 -0.489 1
1 952 . 11 1 1 A 83 83 ASP CB C 83 41.291 41.366 -0.075 1
1 955 . 11 1 1 A 83 83 ASP C C 83 175.900 175.297 0.603 1
1 956 . 11 1 1 A 84 84 ASP N N 84 121.113 125.159 -4.046 1
1 957 . 11 1 1 A 84 84 ASP H H 84 8.310 8.527 -0.217 1
1 958 . 11 1 1 A 84 84 ASP CA C 84 54.330 55.104 -0.774 1
1 959 . 11 1 1 A 84 84 ASP HA H 84 4.650 4.487 0.163 1
1 960 . 11 1 1 A 84 84 ASP CB C 84 41.283 40.665 0.618 1
1 963 . 11 1 1 A 84 84 ASP C C 84 176.407 176.471 -0.064 1
1 964 . 11 1 1 A 85 85 SER N N 85 116.212 119.488 -3.276 1
1 965 . 11 1 1 A 85 85 SER H H 85 8.332 8.498 -0.166 1
1 966 . 11 1 1 A 85 85 SER CA C 85 58.819 58.514 0.305 1
1 967 . 11 1 1 A 85 85 SER HA H 85 4.438 4.747 -0.309 1
1 968 . 11 1 1 A 85 85 SER CB C 85 63.961 64.499 -0.538 1
1 971 . 11 1 1 A 85 85 SER C C 85 174.867 174.574 0.293 1
1 972 . 11 1 1 A 86 86 GLY N N 86 110.652 109.041 1.611 1
1 973 . 11 1 1 A 86 86 GLY H H 86 8.251 8.365 -0.114 1
1 974 . 11 1 1 A 86 86 GLY CA C 86 44.758 44.466 0.292 1
1 975 . 11 1 1 A 86 86 GLY HA2 H 86 4.109 4.177 -0.068 1
1 976 . 11 1 1 A 86 86 GLY HA3 H 86 4.109 4.177 -0.068 1
1 977 . 11 1 1 A 86 86 GLY C C 86 171.914 174.423 -2.509 1
1 978 . 11 1 1 A 87 87 PRO CA C 87 63.192 64.228 -1.036 1
1 979 . 11 1 1 A 87 87 PRO HA H 87 4.484 4.446 0.038 1
1 980 . 11 1 1 A 87 87 PRO CB C 87 32.243 31.880 0.363 1
1 989 . 11 1 1 A 87 87 PRO C C 87 177.470 176.367 1.103 1
1 990 . 11 1 1 A 88 88 SER N N 88 116.433 115.169 1.264 1
1 991 . 11 1 1 A 88 88 SER H H 88 8.518 7.801 0.717 1
1 992 . 11 1 1 A 88 88 SER CA C 88 58.330 58.114 0.216 1
1 993 . 11 1 1 A 88 88 SER HA H 88 4.571 4.403 0.168 1
1 994 . 11 1 1 A 88 88 SER CB C 88 63.896 64.188 -0.292 1
1 997 . 11 1 1 A 88 88 SER C C 88 174.747 174.587 0.160 1
1 998 . 11 1 1 A 89 89 SER N N 89 117.882 121.831 -3.949 1
1 999 . 11 1 1 A 89 89 SER H H 89 8.335 9.150 -0.815 1
1 1000 . 11 1 1 A 89 89 SER CA C 89 58.497 61.063 -2.566 1
1 1001 . 11 1 1 A 89 89 SER CB C 89 64.209 63.368 0.841 1
1 1004 . 11 1 1 A 89 89 SER C C 89 174.100 174.910 -0.810 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.146 44.325 0.821 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.966 4.161 -0.195 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.966 4.161 -0.195 1
1 4 . 12 1 1 A 7 7 GLY C C 7 173.687 172.780 0.907 1
1 5 . 12 1 1 A 8 8 LYS N N 8 122.140 117.592 4.548 1
1 6 . 12 1 1 A 8 8 LYS H H 8 8.107 8.464 -0.357 1
1 7 . 12 1 1 A 8 8 LYS CA C 8 54.053 53.846 0.207 1
1 8 . 12 1 1 A 8 8 LYS HA H 8 4.620 4.958 -0.338 1
1 9 . 12 1 1 A 8 8 LYS CB C 8 32.649 34.031 -1.382 1
1 21 . 12 1 1 A 8 8 LYS C C 8 174.270 174.869 -0.599 1
1 22 . 12 1 1 A 9 9 PRO CA C 9 61.632 61.610 0.022 1
1 23 . 12 1 1 A 9 9 PRO HA H 9 4.687 4.713 -0.026 1
1 24 . 12 1 1 A 9 9 PRO CB C 9 30.855 31.822 -0.967 1
1 33 . 12 1 1 A 10 10 PRO CA C 10 62.942 62.489 0.453 1
1 34 . 12 1 1 A 10 10 PRO HA H 10 4.473 4.724 -0.251 1
1 35 . 12 1 1 A 10 10 PRO CB C 10 32.197 29.529 2.668 1
1 44 . 12 1 1 A 11 11 THR N N 11 128.434 112.347 16.087 1
1 45 . 12 1 1 A 11 11 THR H H 11 8.172 8.283 -0.111 1
1 46 . 12 1 1 A 11 11 THR CA C 11 61.644 59.671 1.973 1
1 47 . 12 1 1 A 11 11 THR HA H 11 4.357 5.224 -0.867 1
1 48 . 12 1 1 A 11 11 THR CB C 11 70.204 72.030 -1.826 1
1 54 . 12 1 1 A 12 12 TYR N N 12 120.312 123.040 -2.728 1
1 55 . 12 1 1 A 12 12 TYR H H 12 8.033 8.990 -0.957 1
1 56 . 12 1 1 A 12 12 TYR CA C 12 56.633 57.395 -0.762 1
1 57 . 12 1 1 A 12 12 TYR HA H 12 4.967 4.635 0.332 1
1 58 . 12 1 1 A 12 12 TYR CB C 12 40.403 38.789 1.614 1
1 69 . 12 1 1 A 13 13 GLN H H 13 8.634 8.925 -0.291 1
1 70 . 12 1 1 A 13 13 GLN CA C 13 54.519 55.742 -1.223 1
1 71 . 12 1 1 A 13 13 GLN HA H 13 4.626 4.481 0.145 1
1 72 . 12 1 1 A 13 13 GLN CB C 13 31.183 29.938 1.245 1
1 81 . 12 1 1 A 14 14 VAL N N 14 124.270 112.932 11.338 1
1 82 . 12 1 1 A 14 14 VAL H H 14 8.773 6.868 1.905 1
1 83 . 12 1 1 A 14 14 VAL CA C 14 62.977 60.838 2.139 1
1 84 . 12 1 1 A 14 14 VAL HA H 14 4.018 4.199 -0.181 1
1 85 . 12 1 1 A 14 14 VAL CB C 14 32.909 31.283 1.626 1
1 95 . 12 1 1 A 15 15 LEU N N 15 128.403 122.507 5.896 1
1 96 . 12 1 1 A 15 15 LEU H H 15 8.726 7.904 0.822 1
1 97 . 12 1 1 A 15 15 LEU CA C 15 55.620 52.782 2.838 1
1 98 . 12 1 1 A 15 15 LEU HA H 15 4.412 5.283 -0.871 1
1 99 . 12 1 1 A 15 15 LEU CB C 15 42.580 45.794 -3.214 1
1 112 . 12 1 1 A 16 16 GLU H H 16 8.687 8.849 -0.162 1
1 113 . 12 1 1 A 16 16 GLU CA C 16 55.492 56.527 -1.035 1
1 114 . 12 1 1 A 16 16 GLU HA H 16 4.401 4.513 -0.112 1
1 115 . 12 1 1 A 16 16 GLU CB C 16 32.409 30.151 2.258 1
1 120 . 12 1 1 A 17 17 TYR N N 17 124.726 119.513 5.213 1
1 121 . 12 1 1 A 17 17 TYR H H 17 8.505 7.780 0.725 1
1 122 . 12 1 1 A 17 17 TYR CA C 17 58.490 56.065 2.425 1
1 123 . 12 1 1 A 17 17 TYR HA H 17 4.598 5.299 -0.701 1
1 124 . 12 1 1 A 17 17 TYR CB C 17 38.814 42.928 -4.114 1
1 135 . 12 1 1 A 18 18 GLY N N 18 106.652 110.964 -4.312 1
1 136 . 12 1 1 A 18 18 GLY H H 18 9.176 8.787 0.389 1
1 137 . 12 1 1 A 18 18 GLY CA C 18 43.947 45.083 -1.136 1
1 138 . 12 1 1 A 18 18 GLY HA2 H 18 3.646 4.111 -0.465 1
1 139 . 12 1 1 A 18 18 GLY HA3 H 18 4.287 4.127 0.160 1
1 140 . 12 1 1 A 19 19 GLU N N 19 122.571 122.240 0.331 1
1 141 . 12 1 1 A 19 19 GLU H H 19 9.450 8.435 1.015 1
1 142 . 12 1 1 A 19 19 GLU CA C 19 56.496 55.522 0.974 1
1 143 . 12 1 1 A 19 19 GLU HA H 19 5.218 4.997 0.221 1
1 144 . 12 1 1 A 19 19 GLU CB C 19 34.419 31.474 2.945 1
1 149 . 12 1 1 A 19 19 GLU C C 19 173.496 175.123 -1.627 1
1 150 . 12 1 1 A 20 20 ALA N N 20 125.442 128.088 -2.646 1
1 151 . 12 1 1 A 20 20 ALA H H 20 8.813 8.690 0.123 1
1 152 . 12 1 1 A 20 20 ALA CA C 20 50.154 51.541 -1.387 1
1 153 . 12 1 1 A 20 20 ALA HA H 20 5.132 5.166 -0.034 1
1 154 . 12 1 1 A 20 20 ALA CB C 20 24.742 22.823 1.919 1
1 158 . 12 1 1 A 20 20 ALA C C 20 174.555 175.654 -1.099 1
1 159 . 12 1 1 A 21 21 VAL N N 21 117.729 120.685 -2.956 1
1 160 . 12 1 1 A 21 21 VAL H H 21 8.118 8.848 -0.730 1
1 161 . 12 1 1 A 21 21 VAL CA C 21 60.211 60.151 0.060 1
1 162 . 12 1 1 A 21 21 VAL HA H 21 4.478 4.353 0.125 1
1 163 . 12 1 1 A 21 21 VAL CB C 21 34.751 34.335 0.416 1
1 173 . 12 1 1 A 21 21 VAL C C 21 176.351 175.051 1.300 1
1 174 . 12 1 1 A 22 22 ALA N N 22 130.024 128.133 1.891 1
1 175 . 12 1 1 A 22 22 ALA H H 22 8.689 8.316 0.373 1
1 176 . 12 1 1 A 22 22 ALA CA C 22 53.496 52.735 0.761 1
1 177 . 12 1 1 A 22 22 ALA HA H 22 4.170 4.215 -0.045 1
1 178 . 12 1 1 A 22 22 ALA CB C 22 20.793 18.810 1.983 1
1 182 . 12 1 1 A 22 22 ALA C C 22 178.156 176.504 1.652 1
1 183 . 12 1 1 A 23 23 GLN N N 23 126.904 122.366 4.538 1
1 184 . 12 1 1 A 23 23 GLN H H 23 9.442 8.868 0.574 1
1 185 . 12 1 1 A 23 23 GLN CA C 23 55.611 57.092 -1.481 1
1 186 . 12 1 1 A 23 23 GLN HA H 23 4.202 4.425 -0.223 1
1 187 . 12 1 1 A 23 23 GLN CB C 23 30.345 30.528 -0.183 1
1 196 . 12 1 1 A 23 23 GLN C C 23 173.200 175.566 -2.366 1
1 197 . 12 1 1 A 24 24 TYR N N 24 115.157 116.058 -0.901 1
1 198 . 12 1 1 A 24 24 TYR H H 24 7.696 7.652 0.044 1
1 199 . 12 1 1 A 24 24 TYR CA C 24 55.303 56.742 -1.439 1
1 200 . 12 1 1 A 24 24 TYR HA H 24 4.847 5.277 -0.430 1
1 201 . 12 1 1 A 24 24 TYR CB C 24 43.087 41.984 1.103 1
1 212 . 12 1 1 A 24 24 TYR C C 24 173.829 175.946 -2.117 1
1 213 . 12 1 1 A 25 25 THR N N 25 118.997 119.405 -0.408 1
1 214 . 12 1 1 A 25 25 THR H H 25 8.697 8.929 -0.232 1
1 215 . 12 1 1 A 25 25 THR CA C 25 63.201 63.683 -0.482 1
1 216 . 12 1 1 A 25 25 THR HA H 25 4.483 4.424 0.059 1
1 217 . 12 1 1 A 25 25 THR CB C 25 70.228 68.948 1.280 1
1 223 . 12 1 1 A 25 25 THR C C 25 173.214 173.886 -0.672 1
1 224 . 12 1 1 A 26 26 PHE N N 26 129.691 126.820 2.871 1
1 225 . 12 1 1 A 26 26 PHE H H 26 8.460 8.569 -0.109 1
1 226 . 12 1 1 A 26 26 PHE CA C 26 55.887 56.541 -0.654 1
1 227 . 12 1 1 A 26 26 PHE HA H 26 4.631 5.116 -0.485 1
1 228 . 12 1 1 A 26 26 PHE CB C 26 42.134 42.031 0.103 1
1 241 . 12 1 1 A 26 26 PHE C C 26 173.089 173.724 -0.635 1
1 242 . 12 1 1 A 27 27 LYS N N 27 129.755 126.019 3.736 1
1 243 . 12 1 1 A 27 27 LYS H H 27 7.879 7.648 0.231 1
1 244 . 12 1 1 A 27 27 LYS CA C 27 54.562 54.418 0.144 1
1 245 . 12 1 1 A 27 27 LYS HA H 27 4.023 4.885 -0.862 1
1 246 . 12 1 1 A 27 27 LYS CB C 27 32.490 35.743 -3.253 1
1 258 . 12 1 1 A 27 27 LYS C C 27 174.852 174.501 0.351 1
1 259 . 12 1 1 A 28 28 GLY N N 28 113.171 113.083 0.088 1
1 260 . 12 1 1 A 28 28 GLY H H 28 7.726 8.804 -1.078 1
1 261 . 12 1 1 A 28 28 GLY CA C 28 45.922 44.471 1.451 1
1 262 . 12 1 1 A 28 28 GLY HA2 H 28 3.151 4.420 -1.269 1
1 263 . 12 1 1 A 28 28 GLY HA3 H 28 3.619 4.640 -1.021 1
1 264 . 12 1 1 A 28 28 GLY C C 28 173.250 174.167 -0.917 1
1 265 . 12 1 1 A 29 29 ASP N N 29 121.578 120.962 0.616 1
1 266 . 12 1 1 A 29 29 ASP H H 29 8.743 8.652 0.091 1
1 267 . 12 1 1 A 29 29 ASP CA C 29 55.162 55.583 -0.421 1
1 268 . 12 1 1 A 29 29 ASP HA H 29 4.616 4.759 -0.143 1
1 269 . 12 1 1 A 29 29 ASP CB C 29 42.815 42.275 0.540 1
1 272 . 12 1 1 A 29 29 ASP C C 29 176.583 176.837 -0.254 1
1 273 . 12 1 1 A 30 30 LEU N N 30 119.139 120.244 -1.105 1
1 274 . 12 1 1 A 30 30 LEU H H 30 8.069 7.727 0.342 1
1 275 . 12 1 1 A 30 30 LEU CA C 30 54.174 55.181 -1.007 1
1 276 . 12 1 1 A 30 30 LEU HA H 30 4.585 4.288 0.297 1
1 277 . 12 1 1 A 30 30 LEU CB C 30 44.109 42.404 1.705 1
1 290 . 12 1 1 A 30 30 LEU C C 30 179.241 177.819 1.422 1
1 291 . 12 1 1 A 31 31 GLU N N 31 122.182 123.680 -1.498 1
1 292 . 12 1 1 A 31 31 GLU H H 31 8.905 9.020 -0.115 1
1 293 . 12 1 1 A 31 31 GLU CA C 31 59.392 60.080 -0.688 1
1 294 . 12 1 1 A 31 31 GLU HA H 31 4.151 4.010 0.141 1
1 295 . 12 1 1 A 31 31 GLU CB C 31 29.605 29.326 0.279 1
1 301 . 12 1 1 A 31 31 GLU C C 31 177.520 178.314 -0.794 1
1 302 . 12 1 1 A 32 32 VAL N N 32 108.281 114.921 -6.640 1
1 303 . 12 1 1 A 32 32 VAL H H 32 7.186 7.560 -0.374 1
1 304 . 12 1 1 A 32 32 VAL CA C 32 61.950 64.343 -2.393 1
1 305 . 12 1 1 A 32 32 VAL HA H 32 4.365 4.152 0.213 1
1 306 . 12 1 1 A 32 32 VAL CB C 32 32.222 31.529 0.693 1
1 316 . 12 1 1 A 32 32 VAL C C 32 176.602 176.120 0.482 1
1 317 . 12 1 1 A 33 33 GLU N N 33 120.835 122.595 -1.760 1
1 318 . 12 1 1 A 33 33 GLU H H 33 7.751 7.973 -0.222 1
1 319 . 12 1 1 A 33 33 GLU CA C 33 55.560 55.552 0.008 1
1 320 . 12 1 1 A 33 33 GLU HA H 33 5.106 4.677 0.429 1
1 321 . 12 1 1 A 33 33 GLU CB C 33 31.354 29.527 1.827 1
1 327 . 12 1 1 A 33 33 GLU C C 33 176.180 175.662 0.518 1
1 328 . 12 1 1 A 34 34 LEU N N 34 126.568 128.400 -1.832 1
1 329 . 12 1 1 A 34 34 LEU H H 34 9.073 8.797 0.276 1
1 330 . 12 1 1 A 34 34 LEU CA C 34 53.385 55.581 -2.196 1
1 331 . 12 1 1 A 34 34 LEU HA H 34 4.481 4.598 -0.117 1
1 332 . 12 1 1 A 34 34 LEU CB C 34 44.305 43.265 1.040 1
1 345 . 12 1 1 A 34 34 LEU C C 34 173.373 175.121 -1.748 1
1 346 . 12 1 1 A 35 35 SER N N 35 116.987 124.002 -7.015 1
1 347 . 12 1 1 A 35 35 SER H H 35 7.561 8.731 -1.170 1
1 348 . 12 1 1 A 35 35 SER CA C 35 58.335 57.609 0.726 1
1 349 . 12 1 1 A 35 35 SER HA H 35 4.569 5.462 -0.893 1
1 350 . 12 1 1 A 35 35 SER CB C 35 64.536 65.439 -0.903 1
1 353 . 12 1 1 A 35 35 SER C C 35 174.513 173.733 0.780 1
1 354 . 12 1 1 A 36 36 PHE N N 36 117.028 120.523 -3.495 1
1 355 . 12 1 1 A 36 36 PHE H H 36 8.339 8.564 -0.225 1
1 356 . 12 1 1 A 36 36 PHE CA C 36 55.938 55.625 0.313 1
1 357 . 12 1 1 A 36 36 PHE HA H 36 4.647 5.199 -0.552 1
1 358 . 12 1 1 A 36 36 PHE CB C 36 39.959 41.921 -1.962 1
1 371 . 12 1 1 A 36 36 PHE C C 36 174.055 172.426 1.629 1
1 372 . 12 1 1 A 37 37 ARG N N 37 120.296 120.033 0.263 1
1 373 . 12 1 1 A 37 37 ARG H H 37 9.859 8.760 1.099 1
1 374 . 12 1 1 A 37 37 ARG CA C 37 53.915 54.405 -0.490 1
1 375 . 12 1 1 A 37 37 ARG HA H 37 4.929 4.942 -0.013 1
1 376 . 12 1 1 A 37 37 ARG CB C 37 32.735 32.684 0.051 1
1 385 . 12 1 1 A 37 37 ARG C C 37 175.793 175.738 0.055 1
1 386 . 12 1 1 A 38 38 LYS N N 38 121.649 124.395 -2.746 1
1 387 . 12 1 1 A 38 38 LYS H H 38 7.938 8.698 -0.760 1
1 388 . 12 1 1 A 38 38 LYS CA C 38 58.880 58.340 0.540 1
1 389 . 12 1 1 A 38 38 LYS HA H 38 3.291 3.963 -0.672 1
1 390 . 12 1 1 A 38 38 LYS CB C 38 32.755 32.118 0.637 1
1 402 . 12 1 1 A 38 38 LYS C C 38 176.459 177.339 -0.880 1
1 403 . 12 1 1 A 39 39 GLY N N 39 114.431 114.976 -0.545 1
1 404 . 12 1 1 A 39 39 GLY H H 39 8.618 8.883 -0.265 1
1 405 . 12 1 1 A 39 39 GLY CA C 39 44.652 45.081 -0.429 1
1 406 . 12 1 1 A 39 39 GLY HA2 H 39 3.438 3.991 -0.553 1
1 407 . 12 1 1 A 39 39 GLY HA3 H 39 4.399 4.006 0.393 1
1 408 . 12 1 1 A 39 39 GLY C C 39 174.586 174.411 0.175 1
1 409 . 12 1 1 A 40 40 GLU N N 40 119.554 121.213 -1.659 1
1 410 . 12 1 1 A 40 40 GLU H H 40 7.931 7.913 0.018 1
1 411 . 12 1 1 A 40 40 GLU CA C 40 59.197 57.398 1.799 1
1 412 . 12 1 1 A 40 40 GLU HA H 40 4.272 4.373 -0.101 1
1 413 . 12 1 1 A 40 40 GLU CB C 40 30.759 30.762 -0.003 1
1 419 . 12 1 1 A 40 40 GLU C C 40 175.278 175.307 -0.029 1
1 420 . 12 1 1 A 41 41 HIS N N 41 121.677 119.981 1.696 1
1 421 . 12 1 1 A 41 41 HIS H H 41 8.837 9.031 -0.194 1
1 422 . 12 1 1 A 41 41 HIS CA C 41 56.432 54.592 1.840 1
1 423 . 12 1 1 A 41 41 HIS HA H 41 4.817 5.122 -0.305 1
1 424 . 12 1 1 A 41 41 HIS CB C 41 30.260 30.796 -0.536 1
1 431 . 12 1 1 A 41 41 HIS C C 41 174.622 174.093 0.529 1
1 432 . 12 1 1 A 42 42 ILE N N 42 123.889 125.305 -1.416 1
1 433 . 12 1 1 A 42 42 ILE H H 42 8.753 8.459 0.294 1
1 434 . 12 1 1 A 42 42 ILE CA C 42 60.433 60.240 0.193 1
1 435 . 12 1 1 A 42 42 ILE HA H 42 4.079 4.384 -0.305 1
1 436 . 12 1 1 A 42 42 ILE CB C 42 42.258 38.287 3.971 1
1 449 . 12 1 1 A 42 42 ILE C C 42 174.377 174.767 -0.390 1
1 450 . 12 1 1 A 43 43 CYS N N 43 127.431 127.593 -0.162 1
1 451 . 12 1 1 A 43 43 CYS H H 43 8.877 8.865 0.012 1
1 452 . 12 1 1 A 43 43 CYS CA C 43 57.909 57.926 -0.017 1
1 453 . 12 1 1 A 43 43 CYS HA H 43 4.654 4.901 -0.247 1
1 454 . 12 1 1 A 43 43 CYS CB C 43 26.650 29.078 -2.428 1
1 457 . 12 1 1 A 43 43 CYS C C 43 174.875 173.729 1.146 1
1 458 . 12 1 1 A 44 44 LEU N N 44 126.732 128.847 -2.115 1
1 459 . 12 1 1 A 44 44 LEU H H 44 7.724 8.793 -1.069 1
1 460 . 12 1 1 A 44 44 LEU CA C 44 53.741 54.643 -0.902 1
1 461 . 12 1 1 A 44 44 LEU HA H 44 4.546 4.400 0.146 1
1 462 . 12 1 1 A 44 44 LEU CB C 44 43.286 40.842 2.444 1
1 475 . 12 1 1 A 44 44 LEU C C 44 175.004 176.168 -1.164 1
1 476 . 12 1 1 A 45 45 ILE N N 45 125.519 126.782 -1.263 1
1 477 . 12 1 1 A 45 45 ILE H H 45 9.058 8.562 0.496 1
1 478 . 12 1 1 A 45 45 ILE CA C 45 63.488 64.020 -0.532 1
1 479 . 12 1 1 A 45 45 ILE HA H 45 4.121 4.059 0.062 1
1 480 . 12 1 1 A 45 45 ILE CB C 45 39.808 38.392 1.416 1
1 493 . 12 1 1 A 46 46 ARG N N 46 105.448 120.034 -14.586 1
1 494 . 12 1 1 A 46 46 ARG H H 46 7.377 7.919 -0.542 1
1 495 . 12 1 1 A 46 46 ARG CA C 46 54.848 54.345 0.503 1
1 496 . 12 1 1 A 46 46 ARG HA H 46 4.576 4.635 -0.059 1
1 497 . 12 1 1 A 46 46 ARG CB C 46 32.078 32.809 -0.731 1
1 508 . 12 1 1 A 46 46 ARG C C 46 174.353 174.928 -0.575 1
1 509 . 12 1 1 A 47 47 LYS N N 47 124.397 126.596 -2.199 1
1 510 . 12 1 1 A 47 47 LYS H H 47 9.254 8.637 0.617 1
1 511 . 12 1 1 A 47 47 LYS CA C 47 56.832 57.504 -0.672 1
1 512 . 12 1 1 A 47 47 LYS HA H 47 4.353 4.212 0.141 1
1 513 . 12 1 1 A 47 47 LYS CB C 47 32.868 33.152 -0.284 1
1 525 . 12 1 1 A 47 47 LYS C C 47 176.540 177.415 -0.875 1
1 526 . 12 1 1 A 48 48 VAL N N 48 126.203 127.786 -1.583 1
1 527 . 12 1 1 A 48 48 VAL H H 48 8.289 8.497 -0.208 1
1 528 . 12 1 1 A 48 48 VAL CA C 48 63.966 64.260 -0.294 1
1 529 . 12 1 1 A 48 48 VAL HA H 48 3.784 3.918 -0.134 1
1 530 . 12 1 1 A 48 48 VAL CB C 48 33.030 32.739 0.291 1
1 540 . 12 1 1 A 48 48 VAL C C 48 175.547 175.112 0.435 1
1 541 . 12 1 1 A 49 49 ASN N N 49 115.717 118.208 -2.491 1
1 542 . 12 1 1 A 49 49 ASN H H 49 8.167 7.582 0.585 1
1 543 . 12 1 1 A 49 49 ASN CA C 49 52.768 51.687 1.081 1
1 544 . 12 1 1 A 49 49 ASN HA H 49 4.428 4.980 -0.552 1
1 545 . 12 1 1 A 49 49 ASN CB C 49 37.683 41.554 -3.871 1
1 551 . 12 1 1 A 49 49 ASN C C 49 174.537 174.480 0.057 1
1 552 . 12 1 1 A 50 50 GLU N N 50 114.361 123.270 -8.909 1
1 553 . 12 1 1 A 50 50 GLU H H 50 8.781 8.800 -0.019 1
1 554 . 12 1 1 A 50 50 GLU CA C 50 59.835 59.206 0.629 1
1 555 . 12 1 1 A 50 50 GLU HA H 50 3.947 3.934 0.013 1
1 556 . 12 1 1 A 50 50 GLU CB C 50 29.534 29.468 0.066 1
1 562 . 12 1 1 A 50 50 GLU C C 50 176.796 177.340 -0.544 1
1 563 . 12 1 1 A 51 51 ASN N N 51 112.673 114.758 -2.085 1
1 564 . 12 1 1 A 51 51 ASN H H 51 8.535 7.646 0.889 1
1 565 . 12 1 1 A 51 51 ASN CA C 51 53.328 54.102 -0.774 1
1 566 . 12 1 1 A 51 51 ASN HA H 51 4.968 4.737 0.231 1
1 567 . 12 1 1 A 51 51 ASN CB C 51 41.171 40.848 0.323 1
1 573 . 12 1 1 A 51 51 ASN C C 51 174.756 175.397 -0.641 1
1 574 . 12 1 1 A 52 52 TRP N N 52 121.399 118.865 2.534 1
1 575 . 12 1 1 A 52 52 TRP H H 52 7.726 7.665 0.061 1
1 576 . 12 1 1 A 52 52 TRP CA C 52 57.485 57.916 -0.431 1
1 577 . 12 1 1 A 52 52 TRP HA H 52 5.072 4.625 0.447 1
1 578 . 12 1 1 A 52 52 TRP CB C 52 31.703 30.169 1.534 1
1 593 . 12 1 1 A 52 52 TRP C C 52 174.756 176.114 -1.358 1
1 594 . 12 1 1 A 53 53 TYR N N 53 118.564 120.092 -1.528 1
1 595 . 12 1 1 A 53 53 TYR H H 53 8.443 8.570 -0.127 1
1 596 . 12 1 1 A 53 53 TYR CA C 53 57.305 55.605 1.700 1
1 597 . 12 1 1 A 53 53 TYR HA H 53 4.978 5.036 -0.058 1
1 598 . 12 1 1 A 53 53 TYR CB C 53 44.030 41.699 2.331 1
1 609 . 12 1 1 A 53 53 TYR C C 53 174.045 174.012 0.033 1
1 610 . 12 1 1 A 54 54 GLU N N 54 117.557 124.312 -6.755 1
1 611 . 12 1 1 A 54 54 GLU H H 54 8.906 8.962 -0.056 1
1 612 . 12 1 1 A 54 54 GLU CA C 54 54.986 55.646 -0.660 1
1 613 . 12 1 1 A 54 54 GLU HA H 54 5.059 4.953 0.106 1
1 614 . 12 1 1 A 54 54 GLU CB C 54 32.458 30.694 1.764 1
1 620 . 12 1 1 A 54 54 GLU C C 54 176.438 175.857 0.581 1
1 621 . 12 1 1 A 55 55 GLY N N 55 114.051 113.464 0.587 1
1 622 . 12 1 1 A 55 55 GLY H H 55 9.556 8.898 0.658 1
1 623 . 12 1 1 A 55 55 GLY CA C 55 45.816 44.756 1.060 1
1 624 . 12 1 1 A 55 55 GLY HA2 H 55 5.166 4.526 0.640 1
1 625 . 12 1 1 A 55 55 GLY HA3 H 55 3.929 4.681 -0.752 1
1 626 . 12 1 1 A 55 55 GLY C C 55 169.584 172.961 -3.377 1
1 627 . 12 1 1 A 56 56 ARG N N 56 116.523 116.378 0.145 1
1 628 . 12 1 1 A 56 56 ARG H H 56 9.093 8.391 0.702 1
1 629 . 12 1 1 A 56 56 ARG CA C 56 53.977 54.310 -0.333 1
1 630 . 12 1 1 A 56 56 ARG HA H 56 5.528 5.068 0.460 1
1 631 . 12 1 1 A 56 56 ARG CB C 56 34.963 34.032 0.931 1
1 640 . 12 1 1 A 56 56 ARG C C 56 174.325 174.651 -0.326 1
1 641 . 12 1 1 A 57 57 ILE N N 57 123.690 124.454 -0.764 1
1 642 . 12 1 1 A 57 57 ILE H H 57 8.230 9.303 -1.073 1
1 643 . 12 1 1 A 57 57 ILE CA C 57 59.706 60.788 -1.082 1
1 644 . 12 1 1 A 57 57 ILE HA H 57 4.585 4.517 0.068 1
1 645 . 12 1 1 A 57 57 ILE CB C 57 35.623 37.423 -1.800 1
1 658 . 12 1 1 A 57 57 ILE C C 57 177.239 175.713 1.526 1
1 659 . 12 1 1 A 58 58 THR N N 58 112.797 123.771 -10.974 1
1 660 . 12 1 1 A 58 58 THR H H 58 8.805 8.647 0.158 1
1 661 . 12 1 1 A 58 58 THR CA C 58 65.598 63.668 1.930 1
1 662 . 12 1 1 A 58 58 THR HA H 58 3.857 4.147 -0.290 1
1 663 . 12 1 1 A 58 58 THR CB C 58 68.553 68.618 -0.065 1
1 669 . 12 1 1 A 59 59 GLY CA C 59 45.463 45.305 0.158 1
1 670 . 12 1 1 A 59 59 GLY HA2 H 59 3.834 4.002 -0.168 1
1 671 . 12 1 1 A 59 59 GLY HA3 H 59 4.266 4.006 0.260 1
1 672 . 12 1 1 A 59 59 GLY C C 59 174.543 174.574 -0.031 1
1 673 . 12 1 1 A 60 60 THR N N 60 108.632 112.169 -3.537 1
1 674 . 12 1 1 A 60 60 THR H H 60 7.779 7.824 -0.045 1
1 675 . 12 1 1 A 60 60 THR CA C 60 61.017 62.731 -1.714 1
1 676 . 12 1 1 A 60 60 THR HA H 60 4.892 4.436 0.456 1
1 677 . 12 1 1 A 60 60 THR CB C 60 72.426 70.489 1.937 1
1 683 . 12 1 1 A 60 60 THR C C 60 175.144 175.523 -0.379 1
1 684 . 12 1 1 A 61 61 GLY CA C 61 45.320 45.227 0.093 1
1 685 . 12 1 1 A 61 61 GLY HA2 H 61 3.930 4.078 -0.148 1
1 686 . 12 1 1 A 61 61 GLY HA3 H 61 4.183 4.080 0.103 1
1 687 . 12 1 1 A 61 61 GLY C C 61 174.641 174.619 0.022 1
1 688 . 12 1 1 A 62 62 ARG N N 62 121.575 121.423 0.152 1
1 689 . 12 1 1 A 62 62 ARG H H 62 8.229 7.949 0.280 1
1 690 . 12 1 1 A 62 62 ARG CA C 62 56.440 57.355 -0.915 1
1 691 . 12 1 1 A 62 62 ARG HA H 62 4.380 4.328 0.052 1
1 692 . 12 1 1 A 62 62 ARG CB C 62 30.667 31.285 -0.618 1
1 701 . 12 1 1 A 62 62 ARG C C 62 174.530 175.603 -1.073 1
1 702 . 12 1 1 A 63 63 GLN N N 63 124.206 122.607 1.599 1
1 703 . 12 1 1 A 63 63 GLN H H 63 8.473 8.477 -0.004 1
1 704 . 12 1 1 A 63 63 GLN CA C 63 54.768 55.270 -0.502 1
1 705 . 12 1 1 A 63 63 GLN HA H 63 5.449 5.183 0.266 1
1 706 . 12 1 1 A 63 63 GLN CB C 63 32.243 31.987 0.256 1
1 715 . 12 1 1 A 63 63 GLN C C 63 174.555 174.779 -0.224 1
1 716 . 12 1 1 A 64 64 GLY N N 64 111.132 112.362 -1.230 1
1 717 . 12 1 1 A 64 64 GLY H H 64 8.962 8.396 0.566 1
1 718 . 12 1 1 A 64 64 GLY CA C 64 45.780 46.080 -0.300 1
1 719 . 12 1 1 A 64 64 GLY HA2 H 64 4.498 4.416 0.082 1
1 720 . 12 1 1 A 64 64 GLY HA3 H 64 4.351 4.463 -0.112 1
1 721 . 12 1 1 A 64 64 GLY C C 64 172.117 172.461 -0.344 1
1 722 . 12 1 1 A 65 65 ILE N N 65 114.051 118.142 -4.091 1
1 723 . 12 1 1 A 65 65 ILE H H 65 8.824 8.701 0.123 1
1 724 . 12 1 1 A 65 65 ILE CA C 65 59.949 59.023 0.926 1
1 725 . 12 1 1 A 65 65 ILE HA H 65 6.195 5.329 0.866 1
1 726 . 12 1 1 A 65 65 ILE CB C 65 41.669 40.936 0.733 1
1 739 . 12 1 1 A 65 65 ILE C C 65 176.874 175.248 1.626 1
1 740 . 12 1 1 A 66 66 PHE N N 66 116.902 118.661 -1.759 1
1 741 . 12 1 1 A 66 66 PHE H H 66 8.770 8.375 0.395 1
1 742 . 12 1 1 A 66 66 PHE CA C 66 56.114 55.262 0.852 1
1 743 . 12 1 1 A 66 66 PHE HA H 66 4.952 4.947 0.005 1
1 744 . 12 1 1 A 66 66 PHE CB C 66 38.504 39.403 -0.899 1
1 757 . 12 1 1 A 66 66 PHE C C 66 170.992 171.639 -0.647 1
1 758 . 12 1 1 A 67 67 PRO CA C 67 61.161 62.413 -1.252 1
1 759 . 12 1 1 A 67 67 PRO HA H 67 3.678 4.222 -0.544 1
1 760 . 12 1 1 A 67 67 PRO CB C 67 30.788 31.416 -0.628 1
1 769 . 12 1 1 A 67 67 PRO C C 67 177.819 177.637 0.182 1
1 770 . 12 1 1 A 68 68 ALA N N 68 126.195 128.524 -2.329 1
1 771 . 12 1 1 A 68 68 ALA H H 68 8.458 8.578 -0.120 1
1 772 . 12 1 1 A 68 68 ALA CA C 68 54.676 55.447 -0.771 1
1 773 . 12 1 1 A 68 68 ALA HA H 68 4.008 4.171 -0.163 1
1 774 . 12 1 1 A 68 68 ALA CB C 68 18.986 18.536 0.450 1
1 778 . 12 1 1 A 68 68 ALA C C 68 178.933 179.775 -0.842 1
1 779 . 12 1 1 A 69 69 SER N N 69 110.156 114.166 -4.010 1
1 780 . 12 1 1 A 69 69 SER H H 69 8.370 8.147 0.223 1
1 781 . 12 1 1 A 69 69 SER CA C 69 60.250 61.893 -1.643 1
1 782 . 12 1 1 A 69 69 SER HA H 69 4.265 4.185 0.080 1
1 783 . 12 1 1 A 69 69 SER CB C 69 62.718 63.147 -0.429 1
1 786 . 12 1 1 A 69 69 SER C C 69 175.748 176.080 -0.332 1
1 787 . 12 1 1 A 70 70 TYR N N 70 119.475 118.698 0.777 1
1 788 . 12 1 1 A 70 70 TYR H H 70 7.728 7.593 0.135 1
1 789 . 12 1 1 A 70 70 TYR CA C 70 60.061 59.991 0.070 1
1 790 . 12 1 1 A 70 70 TYR HA H 70 4.620 4.485 0.135 1
1 791 . 12 1 1 A 70 70 TYR CB C 70 39.039 39.489 -0.450 1
1 802 . 12 1 1 A 70 70 TYR C C 70 176.140 176.174 -0.034 1
1 803 . 12 1 1 A 71 71 VAL N N 71 110.320 115.566 -5.246 1
1 804 . 12 1 1 A 71 71 VAL H H 71 8.064 7.912 0.152 1
1 805 . 12 1 1 A 71 71 VAL CA C 71 58.737 59.491 -0.754 1
1 806 . 12 1 1 A 71 71 VAL HA H 71 5.073 4.717 0.356 1
1 807 . 12 1 1 A 71 71 VAL CB C 71 35.550 34.143 1.407 1
1 817 . 12 1 1 A 71 71 VAL C C 71 173.044 174.054 -1.010 1
1 818 . 12 1 1 A 72 72 GLN N N 72 119.621 121.121 -1.500 1
1 819 . 12 1 1 A 72 72 GLN H H 72 8.448 9.060 -0.612 1
1 820 . 12 1 1 A 72 72 GLN CA C 72 54.351 54.073 0.278 1
1 821 . 12 1 1 A 72 72 GLN HA H 72 4.724 5.095 -0.371 1
1 822 . 12 1 1 A 72 72 GLN CB C 72 30.373 32.017 -1.644 1
1 831 . 12 1 1 A 72 72 GLN C C 72 176.050 173.708 2.342 1
1 832 . 12 1 1 A 73 73 VAL N N 73 130.439 127.210 3.229 1
1 833 . 12 1 1 A 73 73 VAL H H 73 9.369 8.842 0.527 1
1 834 . 12 1 1 A 73 73 VAL CA C 73 63.957 59.713 4.244 1
1 835 . 12 1 1 A 73 73 VAL HA H 73 3.856 4.743 -0.887 1
1 836 . 12 1 1 A 73 73 VAL CB C 73 32.616 34.073 -1.457 1
1 846 . 12 1 1 A 73 73 VAL C C 73 176.043 174.874 1.169 1
1 847 . 12 1 1 A 74 74 SER N N 74 123.766 123.279 0.487 1
1 848 . 12 1 1 A 74 74 SER H H 74 8.708 8.443 0.265 1
1 849 . 12 1 1 A 74 74 SER CA C 74 58.930 59.409 -0.479 1
1 850 . 12 1 1 A 74 74 SER HA H 74 4.627 4.613 0.014 1
1 851 . 12 1 1 A 74 74 SER CB C 74 63.548 64.581 -1.033 1
1 854 . 12 1 1 A 74 74 SER C C 74 174.821 174.913 -0.092 1
1 855 . 12 1 1 A 75 75 ARG N N 75 122.335 121.661 0.674 1
1 856 . 12 1 1 A 75 75 ARG H H 75 7.690 7.188 0.502 1
1 857 . 12 1 1 A 75 75 ARG CA C 75 56.185 54.890 1.295 1
1 858 . 12 1 1 A 75 75 ARG HA H 75 4.526 4.717 -0.191 1
1 859 . 12 1 1 A 75 75 ARG CB C 75 33.734 32.266 1.468 1
1 868 . 12 1 1 A 75 75 ARG C C 75 174.824 174.857 -0.033 1
1 869 . 12 1 1 A 76 76 GLU N N 76 126.797 126.504 0.293 1
1 870 . 12 1 1 A 76 76 GLU H H 76 8.916 8.525 0.391 1
1 871 . 12 1 1 A 76 76 GLU CA C 76 54.874 55.047 -0.173 1
1 872 . 12 1 1 A 76 76 GLU HA H 76 4.561 4.452 0.109 1
1 873 . 12 1 1 A 76 76 GLU CB C 76 28.925 29.141 -0.216 1
1 879 . 12 1 1 A 76 76 GLU C C 76 175.557 174.775 0.782 1
1 880 . 12 1 1 A 77 77 PRO CA C 77 62.726 62.351 0.375 1
1 881 . 12 1 1 A 77 77 PRO HA H 77 4.584 4.614 -0.030 1
1 882 . 12 1 1 A 77 77 PRO CB C 77 32.153 32.904 -0.751 1
1 891 . 12 1 1 A 78 78 ARG N N 78 120.959 121.524 -0.565 1
1 892 . 12 1 1 A 78 78 ARG H H 78 8.814 8.554 0.260 1
1 893 . 12 1 1 A 78 78 ARG CA C 78 55.491 55.026 0.465 1
1 894 . 12 1 1 A 78 78 ARG HA H 78 4.743 4.931 -0.188 1
1 895 . 12 1 1 A 78 78 ARG CB C 78 33.443 33.612 -0.169 1
1 904 . 12 1 1 A 79 79 LEU N N 79 125.756 126.966 -1.210 1
1 905 . 12 1 1 A 79 79 LEU H H 79 8.789 9.111 -0.322 1
1 906 . 12 1 1 A 79 79 LEU CA C 79 54.346 55.692 -1.346 1
1 907 . 12 1 1 A 79 79 LEU HA H 79 5.007 4.542 0.465 1
1 908 . 12 1 1 A 79 79 LEU CB C 79 44.609 43.836 0.773 1
1 917 . 12 1 1 A 80 80 ARG N N 80 121.792 117.803 3.989 1
1 918 . 12 1 1 A 80 80 ARG H H 80 8.908 7.653 1.255 1
1 919 . 12 1 1 A 80 80 ARG CA C 80 54.966 54.699 0.267 1
1 920 . 12 1 1 A 80 80 ARG HA H 80 4.611 4.658 -0.047 1
1 921 . 12 1 1 A 80 80 ARG CB C 80 32.686 32.407 0.279 1
1 924 . 12 1 1 A 81 81 LEU N N 81 126.556 126.435 0.121 1
1 925 . 12 1 1 A 81 81 LEU H H 81 8.702 8.711 -0.009 1
1 926 . 12 1 1 A 81 81 LEU CA C 81 55.199 54.749 0.450 1
1 927 . 12 1 1 A 81 81 LEU HA H 81 4.472 4.444 0.028 1
1 928 . 12 1 1 A 81 81 LEU CB C 81 42.368 40.664 1.704 1
1 941 . 12 1 1 A 82 82 CYS N N 82 121.583 124.903 -3.320 1
1 942 . 12 1 1 A 82 82 CYS H H 82 8.466 8.790 -0.324 1
1 943 . 12 1 1 A 82 82 CYS CA C 82 58.583 58.446 0.137 1
1 944 . 12 1 1 A 82 82 CYS HA H 82 4.475 4.857 -0.382 1
1 945 . 12 1 1 A 82 82 CYS CB C 82 28.438 28.253 0.185 1
1 948 . 12 1 1 A 83 83 ASP N N 83 122.639 118.345 4.294 1
1 949 . 12 1 1 A 83 83 ASP H H 83 8.400 7.735 0.665 1
1 950 . 12 1 1 A 83 83 ASP CA C 83 54.210 52.874 1.336 1
1 951 . 12 1 1 A 83 83 ASP HA H 83 4.654 5.240 -0.586 1
1 952 . 12 1 1 A 83 83 ASP CB C 83 41.291 44.628 -3.337 1
1 955 . 12 1 1 A 83 83 ASP C C 83 175.900 173.859 2.041 1
1 956 . 12 1 1 A 84 84 ASP N N 84 121.113 125.043 -3.930 1
1 957 . 12 1 1 A 84 84 ASP H H 84 8.310 8.776 -0.466 1
1 958 . 12 1 1 A 84 84 ASP CA C 84 54.330 52.483 1.847 1
1 959 . 12 1 1 A 84 84 ASP HA H 84 4.650 4.794 -0.144 1
1 960 . 12 1 1 A 84 84 ASP CB C 84 41.283 41.005 0.278 1
1 963 . 12 1 1 A 84 84 ASP C C 84 176.407 175.902 0.505 1
1 964 . 12 1 1 A 85 85 SER N N 85 116.212 121.537 -5.325 1
1 965 . 12 1 1 A 85 85 SER H H 85 8.332 9.071 -0.739 1
1 966 . 12 1 1 A 85 85 SER CA C 85 58.819 59.268 -0.449 1
1 967 . 12 1 1 A 85 85 SER HA H 85 4.438 4.059 0.379 1
1 968 . 12 1 1 A 85 85 SER CB C 85 63.961 62.175 1.786 1
1 971 . 12 1 1 A 85 85 SER C C 85 174.867 173.478 1.389 1
1 972 . 12 1 1 A 86 86 GLY N N 86 110.652 106.743 3.909 1
1 973 . 12 1 1 A 86 86 GLY H H 86 8.251 8.493 -0.242 1
1 974 . 12 1 1 A 86 86 GLY CA C 86 44.758 44.547 0.211 1
1 975 . 12 1 1 A 86 86 GLY HA2 H 86 4.109 4.039 0.070 1
1 976 . 12 1 1 A 86 86 GLY HA3 H 86 4.109 4.040 0.069 1
1 977 . 12 1 1 A 86 86 GLY C C 86 171.914 173.316 -1.402 1
1 978 . 12 1 1 A 87 87 PRO CA C 87 63.192 62.828 0.364 1
1 979 . 12 1 1 A 87 87 PRO HA H 87 4.484 4.730 -0.246 1
1 980 . 12 1 1 A 87 87 PRO CB C 87 32.243 31.619 0.624 1
1 989 . 12 1 1 A 87 87 PRO C C 87 177.470 176.041 1.429 1
1 990 . 12 1 1 A 88 88 SER N N 88 116.433 114.045 2.388 1
1 991 . 12 1 1 A 88 88 SER H H 88 8.518 8.487 0.031 1
1 992 . 12 1 1 A 88 88 SER CA C 88 58.330 57.455 0.875 1
1 993 . 12 1 1 A 88 88 SER HA H 88 4.571 5.019 -0.448 1
1 994 . 12 1 1 A 88 88 SER CB C 88 63.896 65.845 -1.949 1
1 997 . 12 1 1 A 88 88 SER C C 88 174.747 172.750 1.997 1
1 998 . 12 1 1 A 89 89 SER N N 89 117.882 117.224 0.658 1
1 999 . 12 1 1 A 89 89 SER H H 89 8.335 8.617 -0.282 1
1 1000 . 12 1 1 A 89 89 SER CA C 89 58.497 57.759 0.738 1
1 1001 . 12 1 1 A 89 89 SER CB C 89 64.209 65.990 -1.781 1
1 1004 . 12 1 1 A 89 89 SER C C 89 174.100 173.882 0.218 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.146 44.978 0.168 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.966 4.174 -0.208 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.966 4.175 -0.209 1
1 4 . 13 1 1 A 7 7 GLY C C 7 173.687 172.360 1.327 1
1 5 . 13 1 1 A 8 8 LYS N N 8 122.140 121.358 0.782 1
1 6 . 13 1 1 A 8 8 LYS H H 8 8.107 8.831 -0.724 1
1 7 . 13 1 1 A 8 8 LYS CA C 8 54.053 53.458 0.595 1
1 8 . 13 1 1 A 8 8 LYS HA H 8 4.620 5.015 -0.395 1
1 9 . 13 1 1 A 8 8 LYS CB C 8 32.649 35.622 -2.973 1
1 21 . 13 1 1 A 8 8 LYS C C 8 174.270 174.494 -0.224 1
1 22 . 13 1 1 A 9 9 PRO CA C 9 61.632 61.722 -0.090 1
1 23 . 13 1 1 A 9 9 PRO HA H 9 4.687 4.665 0.022 1
1 24 . 13 1 1 A 9 9 PRO CB C 9 30.855 32.492 -1.637 1
1 33 . 13 1 1 A 10 10 PRO CA C 10 62.942 64.227 -1.285 1
1 34 . 13 1 1 A 10 10 PRO HA H 10 4.473 4.430 0.043 1
1 35 . 13 1 1 A 10 10 PRO CB C 10 32.197 32.033 0.164 1
1 44 . 13 1 1 A 11 11 THR N N 11 128.434 110.846 17.588 1
1 45 . 13 1 1 A 11 11 THR H H 11 8.172 8.131 0.041 1
1 46 . 13 1 1 A 11 11 THR CA C 11 61.644 65.225 -3.581 1
1 47 . 13 1 1 A 11 11 THR HA H 11 4.357 4.070 0.287 1
1 48 . 13 1 1 A 11 11 THR CB C 11 70.204 68.462 1.742 1
1 54 . 13 1 1 A 12 12 TYR N N 12 120.312 121.918 -1.606 1
1 55 . 13 1 1 A 12 12 TYR H H 12 8.033 7.983 0.050 1
1 56 . 13 1 1 A 12 12 TYR CA C 12 56.633 56.209 0.424 1
1 57 . 13 1 1 A 12 12 TYR HA H 12 4.967 4.779 0.188 1
1 58 . 13 1 1 A 12 12 TYR CB C 12 40.403 38.760 1.643 1
1 69 . 13 1 1 A 13 13 GLN H H 13 8.634 8.352 0.282 1
1 70 . 13 1 1 A 13 13 GLN CA C 13 54.519 54.873 -0.354 1
1 71 . 13 1 1 A 13 13 GLN HA H 13 4.626 4.573 0.053 1
1 72 . 13 1 1 A 13 13 GLN CB C 13 31.183 26.597 4.586 1
1 81 . 13 1 1 A 14 14 VAL N N 14 124.270 118.158 6.112 1
1 82 . 13 1 1 A 14 14 VAL H H 14 8.773 8.486 0.287 1
1 83 . 13 1 1 A 14 14 VAL CA C 14 62.977 63.106 -0.129 1
1 84 . 13 1 1 A 14 14 VAL HA H 14 4.018 3.967 0.051 1
1 85 . 13 1 1 A 14 14 VAL CB C 14 32.909 29.984 2.925 1
1 95 . 13 1 1 A 15 15 LEU N N 15 128.403 122.835 5.568 1
1 96 . 13 1 1 A 15 15 LEU H H 15 8.726 7.650 1.076 1
1 97 . 13 1 1 A 15 15 LEU CA C 15 55.620 55.854 -0.234 1
1 98 . 13 1 1 A 15 15 LEU HA H 15 4.412 4.091 0.321 1
1 99 . 13 1 1 A 15 15 LEU CB C 15 42.580 42.064 0.516 1
1 112 . 13 1 1 A 16 16 GLU H H 16 8.687 9.054 -0.367 1
1 113 . 13 1 1 A 16 16 GLU CA C 16 55.492 55.806 -0.314 1
1 114 . 13 1 1 A 16 16 GLU HA H 16 4.401 4.595 -0.194 1
1 115 . 13 1 1 A 16 16 GLU CB C 16 32.409 29.125 3.284 1
1 120 . 13 1 1 A 17 17 TYR N N 17 124.726 120.881 3.845 1
1 121 . 13 1 1 A 17 17 TYR H H 17 8.505 7.747 0.758 1
1 122 . 13 1 1 A 17 17 TYR CA C 17 58.490 56.497 1.993 1
1 123 . 13 1 1 A 17 17 TYR HA H 17 4.598 4.951 -0.353 1
1 124 . 13 1 1 A 17 17 TYR CB C 17 38.814 42.247 -3.433 1
1 135 . 13 1 1 A 18 18 GLY N N 18 106.652 109.448 -2.796 1
1 136 . 13 1 1 A 18 18 GLY H H 18 9.176 8.229 0.947 1
1 137 . 13 1 1 A 18 18 GLY CA C 18 43.947 45.329 -1.382 1
1 138 . 13 1 1 A 18 18 GLY HA2 H 18 3.646 4.053 -0.407 1
1 139 . 13 1 1 A 18 18 GLY HA3 H 18 4.287 4.058 0.229 1
1 140 . 13 1 1 A 19 19 GLU N N 19 122.571 122.476 0.095 1
1 141 . 13 1 1 A 19 19 GLU H H 19 9.450 8.284 1.166 1
1 142 . 13 1 1 A 19 19 GLU CA C 19 56.496 55.414 1.082 1
1 143 . 13 1 1 A 19 19 GLU HA H 19 5.218 5.257 -0.039 1
1 144 . 13 1 1 A 19 19 GLU CB C 19 34.419 32.737 1.682 1
1 149 . 13 1 1 A 19 19 GLU C C 19 173.496 175.134 -1.638 1
1 150 . 13 1 1 A 20 20 ALA N N 20 125.442 127.644 -2.202 1
1 151 . 13 1 1 A 20 20 ALA H H 20 8.813 8.696 0.117 1
1 152 . 13 1 1 A 20 20 ALA CA C 20 50.154 51.102 -0.948 1
1 153 . 13 1 1 A 20 20 ALA HA H 20 5.132 5.094 0.038 1
1 154 . 13 1 1 A 20 20 ALA CB C 20 24.742 23.429 1.313 1
1 158 . 13 1 1 A 20 20 ALA C C 20 174.555 174.868 -0.313 1
1 159 . 13 1 1 A 21 21 VAL N N 21 117.729 119.586 -1.857 1
1 160 . 13 1 1 A 21 21 VAL H H 21 8.118 8.541 -0.423 1
1 161 . 13 1 1 A 21 21 VAL CA C 21 60.211 60.082 0.129 1
1 162 . 13 1 1 A 21 21 VAL HA H 21 4.478 4.445 0.033 1
1 163 . 13 1 1 A 21 21 VAL CB C 21 34.751 35.302 -0.551 1
1 173 . 13 1 1 A 21 21 VAL C C 21 176.351 174.879 1.472 1
1 174 . 13 1 1 A 22 22 ALA N N 22 130.024 129.218 0.806 1
1 175 . 13 1 1 A 22 22 ALA H H 22 8.689 8.272 0.417 1
1 176 . 13 1 1 A 22 22 ALA CA C 22 53.496 52.761 0.735 1
1 177 . 13 1 1 A 22 22 ALA HA H 22 4.170 4.127 0.043 1
1 178 . 13 1 1 A 22 22 ALA CB C 22 20.793 18.675 2.118 1
1 182 . 13 1 1 A 22 22 ALA C C 22 178.156 176.714 1.442 1
1 183 . 13 1 1 A 23 23 GLN N N 23 126.904 122.628 4.276 1
1 184 . 13 1 1 A 23 23 GLN H H 23 9.442 8.541 0.901 1
1 185 . 13 1 1 A 23 23 GLN CA C 23 55.611 57.292 -1.681 1
1 186 . 13 1 1 A 23 23 GLN HA H 23 4.202 4.307 -0.105 1
1 187 . 13 1 1 A 23 23 GLN CB C 23 30.345 30.055 0.290 1
1 196 . 13 1 1 A 23 23 GLN C C 23 173.200 175.595 -2.395 1
1 197 . 13 1 1 A 24 24 TYR N N 24 115.157 115.754 -0.597 1
1 198 . 13 1 1 A 24 24 TYR H H 24 7.696 7.547 0.149 1
1 199 . 13 1 1 A 24 24 TYR CA C 24 55.303 56.849 -1.546 1
1 200 . 13 1 1 A 24 24 TYR HA H 24 4.847 5.269 -0.422 1
1 201 . 13 1 1 A 24 24 TYR CB C 24 43.087 41.803 1.284 1
1 212 . 13 1 1 A 24 24 TYR C C 24 173.829 176.077 -2.248 1
1 213 . 13 1 1 A 25 25 THR N N 25 118.997 119.088 -0.091 1
1 214 . 13 1 1 A 25 25 THR H H 25 8.697 8.907 -0.210 1
1 215 . 13 1 1 A 25 25 THR CA C 25 63.201 63.724 -0.523 1
1 216 . 13 1 1 A 25 25 THR HA H 25 4.483 4.389 0.094 1
1 217 . 13 1 1 A 25 25 THR CB C 25 70.228 68.778 1.450 1
1 223 . 13 1 1 A 25 25 THR C C 25 173.214 173.993 -0.779 1
1 224 . 13 1 1 A 26 26 PHE N N 26 129.691 127.005 2.686 1
1 225 . 13 1 1 A 26 26 PHE H H 26 8.460 8.354 0.106 1
1 226 . 13 1 1 A 26 26 PHE CA C 26 55.887 56.777 -0.890 1
1 227 . 13 1 1 A 26 26 PHE HA H 26 4.631 5.174 -0.543 1
1 228 . 13 1 1 A 26 26 PHE CB C 26 42.134 41.852 0.282 1
1 241 . 13 1 1 A 26 26 PHE C C 26 173.089 174.005 -0.916 1
1 242 . 13 1 1 A 27 27 LYS N N 27 129.755 126.046 3.709 1
1 243 . 13 1 1 A 27 27 LYS H H 27 7.879 7.735 0.144 1
1 244 . 13 1 1 A 27 27 LYS CA C 27 54.562 54.514 0.048 1
1 245 . 13 1 1 A 27 27 LYS HA H 27 4.023 4.863 -0.840 1
1 246 . 13 1 1 A 27 27 LYS CB C 27 32.490 35.612 -3.122 1
1 258 . 13 1 1 A 27 27 LYS C C 27 174.852 174.296 0.556 1
1 259 . 13 1 1 A 28 28 GLY N N 28 113.171 113.566 -0.395 1
1 260 . 13 1 1 A 28 28 GLY H H 28 7.726 8.737 -1.011 1
1 261 . 13 1 1 A 28 28 GLY CA C 28 45.922 44.413 1.509 1
1 262 . 13 1 1 A 28 28 GLY HA2 H 28 3.151 4.377 -1.226 1
1 263 . 13 1 1 A 28 28 GLY HA3 H 28 3.619 4.600 -0.981 1
1 264 . 13 1 1 A 28 28 GLY C C 28 173.250 174.014 -0.764 1
1 265 . 13 1 1 A 29 29 ASP N N 29 121.578 121.807 -0.229 1
1 266 . 13 1 1 A 29 29 ASP H H 29 8.743 8.750 -0.007 1
1 267 . 13 1 1 A 29 29 ASP CA C 29 55.162 55.346 -0.184 1
1 268 . 13 1 1 A 29 29 ASP HA H 29 4.616 4.686 -0.070 1
1 269 . 13 1 1 A 29 29 ASP CB C 29 42.815 42.230 0.585 1
1 272 . 13 1 1 A 29 29 ASP C C 29 176.583 176.058 0.525 1
1 273 . 13 1 1 A 30 30 LEU N N 30 119.139 120.968 -1.829 1
1 274 . 13 1 1 A 30 30 LEU H H 30 8.069 7.716 0.353 1
1 275 . 13 1 1 A 30 30 LEU CA C 30 54.174 54.342 -0.168 1
1 276 . 13 1 1 A 30 30 LEU HA H 30 4.585 4.357 0.228 1
1 277 . 13 1 1 A 30 30 LEU CB C 30 44.109 42.225 1.884 1
1 290 . 13 1 1 A 30 30 LEU C C 30 179.241 177.822 1.419 1
1 291 . 13 1 1 A 31 31 GLU N N 31 122.182 123.703 -1.521 1
1 292 . 13 1 1 A 31 31 GLU H H 31 8.905 9.042 -0.137 1
1 293 . 13 1 1 A 31 31 GLU CA C 31 59.392 59.586 -0.194 1
1 294 . 13 1 1 A 31 31 GLU HA H 31 4.151 3.914 0.237 1
1 295 . 13 1 1 A 31 31 GLU CB C 31 29.605 29.889 -0.284 1
1 301 . 13 1 1 A 31 31 GLU C C 31 177.520 178.156 -0.636 1
1 302 . 13 1 1 A 32 32 VAL N N 32 108.281 118.804 -10.523 1
1 303 . 13 1 1 A 32 32 VAL H H 32 7.186 8.023 -0.837 1
1 304 . 13 1 1 A 32 32 VAL CA C 32 61.950 65.507 -3.557 1
1 305 . 13 1 1 A 32 32 VAL HA H 32 4.365 3.941 0.424 1
1 306 . 13 1 1 A 32 32 VAL CB C 32 32.222 31.365 0.857 1
1 316 . 13 1 1 A 32 32 VAL C C 32 176.602 176.511 0.091 1
1 317 . 13 1 1 A 33 33 GLU N N 33 120.835 122.471 -1.636 1
1 318 . 13 1 1 A 33 33 GLU H H 33 7.751 7.943 -0.192 1
1 319 . 13 1 1 A 33 33 GLU CA C 33 55.560 56.244 -0.684 1
1 320 . 13 1 1 A 33 33 GLU HA H 33 5.106 4.531 0.575 1
1 321 . 13 1 1 A 33 33 GLU CB C 33 31.354 30.092 1.262 1
1 327 . 13 1 1 A 33 33 GLU C C 33 176.180 175.381 0.799 1
1 328 . 13 1 1 A 34 34 LEU N N 34 126.568 128.414 -1.846 1
1 329 . 13 1 1 A 34 34 LEU H H 34 9.073 8.818 0.255 1
1 330 . 13 1 1 A 34 34 LEU CA C 34 53.385 55.049 -1.664 1
1 331 . 13 1 1 A 34 34 LEU HA H 34 4.481 4.771 -0.290 1
1 332 . 13 1 1 A 34 34 LEU CB C 34 44.305 43.632 0.673 1
1 345 . 13 1 1 A 34 34 LEU C C 34 173.373 175.301 -1.928 1
1 346 . 13 1 1 A 35 35 SER N N 35 116.987 121.734 -4.747 1
1 347 . 13 1 1 A 35 35 SER H H 35 7.561 8.638 -1.077 1
1 348 . 13 1 1 A 35 35 SER CA C 35 58.335 56.939 1.396 1
1 349 . 13 1 1 A 35 35 SER HA H 35 4.569 5.439 -0.870 1
1 350 . 13 1 1 A 35 35 SER CB C 35 64.536 66.320 -1.784 1
1 353 . 13 1 1 A 35 35 SER C C 35 174.513 173.564 0.949 1
1 354 . 13 1 1 A 36 36 PHE N N 36 117.028 120.301 -3.273 1
1 355 . 13 1 1 A 36 36 PHE H H 36 8.339 8.541 -0.202 1
1 356 . 13 1 1 A 36 36 PHE CA C 36 55.938 55.839 0.099 1
1 357 . 13 1 1 A 36 36 PHE HA H 36 4.647 5.174 -0.527 1
1 358 . 13 1 1 A 36 36 PHE CB C 36 39.959 41.605 -1.646 1
1 371 . 13 1 1 A 36 36 PHE C C 36 174.055 172.243 1.812 1
1 372 . 13 1 1 A 37 37 ARG N N 37 120.296 120.662 -0.366 1
1 373 . 13 1 1 A 37 37 ARG H H 37 9.859 8.701 1.158 1
1 374 . 13 1 1 A 37 37 ARG CA C 37 53.915 55.578 -1.663 1
1 375 . 13 1 1 A 37 37 ARG HA H 37 4.929 4.770 0.159 1
1 376 . 13 1 1 A 37 37 ARG CB C 37 32.735 31.944 0.791 1
1 385 . 13 1 1 A 37 37 ARG C C 37 175.793 176.139 -0.346 1
1 386 . 13 1 1 A 38 38 LYS N N 38 121.649 124.230 -2.581 1
1 387 . 13 1 1 A 38 38 LYS H H 38 7.938 8.745 -0.807 1
1 388 . 13 1 1 A 38 38 LYS CA C 38 58.880 58.283 0.597 1
1 389 . 13 1 1 A 38 38 LYS HA H 38 3.291 3.984 -0.693 1
1 390 . 13 1 1 A 38 38 LYS CB C 38 32.755 32.114 0.641 1
1 402 . 13 1 1 A 38 38 LYS C C 38 176.459 177.358 -0.899 1
1 403 . 13 1 1 A 39 39 GLY N N 39 114.431 115.076 -0.645 1
1 404 . 13 1 1 A 39 39 GLY H H 39 8.618 9.097 -0.479 1
1 405 . 13 1 1 A 39 39 GLY CA C 39 44.652 45.060 -0.408 1
1 406 . 13 1 1 A 39 39 GLY HA2 H 39 3.438 4.018 -0.580 1
1 407 . 13 1 1 A 39 39 GLY HA3 H 39 4.399 4.026 0.373 1
1 408 . 13 1 1 A 39 39 GLY C C 39 174.586 174.402 0.184 1
1 409 . 13 1 1 A 40 40 GLU N N 40 119.554 121.286 -1.732 1
1 410 . 13 1 1 A 40 40 GLU H H 40 7.931 8.186 -0.255 1
1 411 . 13 1 1 A 40 40 GLU CA C 40 59.197 56.936 2.261 1
1 412 . 13 1 1 A 40 40 GLU HA H 40 4.272 4.373 -0.101 1
1 413 . 13 1 1 A 40 40 GLU CB C 40 30.759 30.770 -0.011 1
1 419 . 13 1 1 A 40 40 GLU C C 40 175.278 175.439 -0.161 1
1 420 . 13 1 1 A 41 41 HIS N N 41 121.677 120.180 1.497 1
1 421 . 13 1 1 A 41 41 HIS H H 41 8.837 9.124 -0.287 1
1 422 . 13 1 1 A 41 41 HIS CA C 41 56.432 54.499 1.933 1
1 423 . 13 1 1 A 41 41 HIS HA H 41 4.817 5.077 -0.260 1
1 424 . 13 1 1 A 41 41 HIS CB C 41 30.260 30.319 -0.059 1
1 431 . 13 1 1 A 41 41 HIS C C 41 174.622 174.249 0.373 1
1 432 . 13 1 1 A 42 42 ILE N N 42 123.889 125.295 -1.406 1
1 433 . 13 1 1 A 42 42 ILE H H 42 8.753 8.774 -0.021 1
1 434 . 13 1 1 A 42 42 ILE CA C 42 60.433 60.159 0.274 1
1 435 . 13 1 1 A 42 42 ILE HA H 42 4.079 4.430 -0.351 1
1 436 . 13 1 1 A 42 42 ILE CB C 42 42.258 38.535 3.723 1
1 449 . 13 1 1 A 42 42 ILE C C 42 174.377 174.930 -0.553 1
1 450 . 13 1 1 A 43 43 CYS N N 43 127.431 127.918 -0.487 1
1 451 . 13 1 1 A 43 43 CYS H H 43 8.877 8.835 0.042 1
1 452 . 13 1 1 A 43 43 CYS CA C 43 57.909 59.564 -1.655 1
1 453 . 13 1 1 A 43 43 CYS HA H 43 4.654 4.656 -0.002 1
1 454 . 13 1 1 A 43 43 CYS CB C 43 26.650 27.927 -1.277 1
1 457 . 13 1 1 A 43 43 CYS C C 43 174.875 173.970 0.905 1
1 458 . 13 1 1 A 44 44 LEU N N 44 126.732 128.531 -1.799 1
1 459 . 13 1 1 A 44 44 LEU H H 44 7.724 8.643 -0.919 1
1 460 . 13 1 1 A 44 44 LEU CA C 44 53.741 54.600 -0.859 1
1 461 . 13 1 1 A 44 44 LEU HA H 44 4.546 4.538 0.008 1
1 462 . 13 1 1 A 44 44 LEU CB C 44 43.286 40.859 2.427 1
1 475 . 13 1 1 A 44 44 LEU C C 44 175.004 176.114 -1.110 1
1 476 . 13 1 1 A 45 45 ILE N N 45 125.519 126.954 -1.435 1
1 477 . 13 1 1 A 45 45 ILE H H 45 9.058 8.416 0.642 1
1 478 . 13 1 1 A 45 45 ILE CA C 45 63.488 64.081 -0.593 1
1 479 . 13 1 1 A 45 45 ILE HA H 45 4.121 4.241 -0.120 1
1 480 . 13 1 1 A 45 45 ILE CB C 45 39.808 38.312 1.496 1
1 493 . 13 1 1 A 46 46 ARG N N 46 105.448 119.812 -14.364 1
1 494 . 13 1 1 A 46 46 ARG H H 46 7.377 8.101 -0.724 1
1 495 . 13 1 1 A 46 46 ARG CA C 46 54.848 54.460 0.388 1
1 496 . 13 1 1 A 46 46 ARG HA H 46 4.576 4.593 -0.017 1
1 497 . 13 1 1 A 46 46 ARG CB C 46 32.078 32.347 -0.269 1
1 508 . 13 1 1 A 46 46 ARG C C 46 174.353 175.137 -0.784 1
1 509 . 13 1 1 A 47 47 LYS N N 47 124.397 127.279 -2.882 1
1 510 . 13 1 1 A 47 47 LYS H H 47 9.254 8.574 0.680 1
1 511 . 13 1 1 A 47 47 LYS CA C 47 56.832 56.649 0.183 1
1 512 . 13 1 1 A 47 47 LYS HA H 47 4.353 4.556 -0.203 1
1 513 . 13 1 1 A 47 47 LYS CB C 47 32.868 33.145 -0.277 1
1 525 . 13 1 1 A 47 47 LYS C C 47 176.540 176.401 0.139 1
1 526 . 13 1 1 A 48 48 VAL N N 48 126.203 127.496 -1.293 1
1 527 . 13 1 1 A 48 48 VAL H H 48 8.289 8.760 -0.471 1
1 528 . 13 1 1 A 48 48 VAL CA C 48 63.966 65.900 -1.934 1
1 529 . 13 1 1 A 48 48 VAL HA H 48 3.784 3.620 0.164 1
1 530 . 13 1 1 A 48 48 VAL CB C 48 33.030 31.986 1.044 1
1 540 . 13 1 1 A 48 48 VAL C C 48 175.547 176.120 -0.573 1
1 541 . 13 1 1 A 49 49 ASN N N 49 115.717 115.483 0.234 1
1 542 . 13 1 1 A 49 49 ASN H H 49 8.167 7.619 0.548 1
1 543 . 13 1 1 A 49 49 ASN CA C 49 52.768 51.356 1.412 1
1 544 . 13 1 1 A 49 49 ASN HA H 49 4.428 5.032 -0.604 1
1 545 . 13 1 1 A 49 49 ASN CB C 49 37.683 41.919 -4.236 1
1 551 . 13 1 1 A 49 49 ASN C C 49 174.537 175.774 -1.237 1
1 552 . 13 1 1 A 50 50 GLU N N 50 114.361 120.519 -6.158 1
1 553 . 13 1 1 A 50 50 GLU H H 50 8.781 9.261 -0.480 1
1 554 . 13 1 1 A 50 50 GLU CA C 50 59.835 58.434 1.401 1
1 555 . 13 1 1 A 50 50 GLU HA H 50 3.947 4.035 -0.088 1
1 556 . 13 1 1 A 50 50 GLU CB C 50 29.534 28.745 0.789 1
1 562 . 13 1 1 A 50 50 GLU C C 50 176.796 176.303 0.493 1
1 563 . 13 1 1 A 51 51 ASN N N 51 112.673 116.157 -3.484 1
1 564 . 13 1 1 A 51 51 ASN H H 51 8.535 7.909 0.626 1
1 565 . 13 1 1 A 51 51 ASN CA C 51 53.328 53.463 -0.135 1
1 566 . 13 1 1 A 51 51 ASN HA H 51 4.968 4.858 0.110 1
1 567 . 13 1 1 A 51 51 ASN CB C 51 41.171 40.864 0.307 1
1 573 . 13 1 1 A 51 51 ASN C C 51 174.756 174.531 0.225 1
1 574 . 13 1 1 A 52 52 TRP N N 52 121.399 119.690 1.709 1
1 575 . 13 1 1 A 52 52 TRP H H 52 7.726 7.563 0.163 1
1 576 . 13 1 1 A 52 52 TRP CA C 52 57.485 55.612 1.873 1
1 577 . 13 1 1 A 52 52 TRP HA H 52 5.072 5.321 -0.249 1
1 578 . 13 1 1 A 52 52 TRP CB C 52 31.703 32.865 -1.162 1
1 593 . 13 1 1 A 52 52 TRP C C 52 174.756 174.540 0.216 1
1 594 . 13 1 1 A 53 53 TYR N N 53 118.564 119.179 -0.615 1
1 595 . 13 1 1 A 53 53 TYR H H 53 8.443 8.609 -0.166 1
1 596 . 13 1 1 A 53 53 TYR CA C 53 57.305 56.043 1.262 1
1 597 . 13 1 1 A 53 53 TYR HA H 53 4.978 4.868 0.110 1
1 598 . 13 1 1 A 53 53 TYR CB C 53 44.030 42.591 1.439 1
1 609 . 13 1 1 A 53 53 TYR C C 53 174.045 173.951 0.094 1
1 610 . 13 1 1 A 54 54 GLU N N 54 117.557 123.145 -5.588 1
1 611 . 13 1 1 A 54 54 GLU H H 54 8.906 8.916 -0.010 1
1 612 . 13 1 1 A 54 54 GLU CA C 54 54.986 54.772 0.214 1
1 613 . 13 1 1 A 54 54 GLU HA H 54 5.059 4.849 0.210 1
1 614 . 13 1 1 A 54 54 GLU CB C 54 32.458 32.224 0.234 1
1 620 . 13 1 1 A 54 54 GLU C C 54 176.438 175.475 0.963 1
1 621 . 13 1 1 A 55 55 GLY N N 55 114.051 112.944 1.107 1
1 622 . 13 1 1 A 55 55 GLY H H 55 9.556 8.428 1.128 1
1 623 . 13 1 1 A 55 55 GLY CA C 55 45.816 44.943 0.873 1
1 624 . 13 1 1 A 55 55 GLY HA2 H 55 5.166 4.532 0.634 1
1 625 . 13 1 1 A 55 55 GLY HA3 H 55 3.929 4.672 -0.743 1
1 626 . 13 1 1 A 55 55 GLY C C 55 169.584 172.936 -3.352 1
1 627 . 13 1 1 A 56 56 ARG N N 56 116.523 116.436 0.087 1
1 628 . 13 1 1 A 56 56 ARG H H 56 9.093 8.867 0.226 1
1 629 . 13 1 1 A 56 56 ARG CA C 56 53.977 53.860 0.117 1
1 630 . 13 1 1 A 56 56 ARG HA H 56 5.528 5.175 0.353 1
1 631 . 13 1 1 A 56 56 ARG CB C 56 34.963 34.295 0.668 1
1 640 . 13 1 1 A 56 56 ARG C C 56 174.325 174.886 -0.561 1
1 641 . 13 1 1 A 57 57 ILE N N 57 123.690 123.429 0.261 1
1 642 . 13 1 1 A 57 57 ILE H H 57 8.230 9.229 -0.999 1
1 643 . 13 1 1 A 57 57 ILE CA C 57 59.706 60.395 -0.689 1
1 644 . 13 1 1 A 57 57 ILE HA H 57 4.585 4.600 -0.015 1
1 645 . 13 1 1 A 57 57 ILE CB C 57 35.623 38.118 -2.495 1
1 658 . 13 1 1 A 57 57 ILE C C 57 177.239 175.264 1.975 1
1 659 . 13 1 1 A 58 58 THR N N 58 112.797 120.157 -7.360 1
1 660 . 13 1 1 A 58 58 THR H H 58 8.805 8.147 0.658 1
1 661 . 13 1 1 A 58 58 THR CA C 58 65.598 64.912 0.686 1
1 662 . 13 1 1 A 58 58 THR HA H 58 3.857 3.924 -0.067 1
1 663 . 13 1 1 A 58 58 THR CB C 58 68.553 68.562 -0.009 1
1 669 . 13 1 1 A 59 59 GLY CA C 59 45.463 45.156 0.307 1
1 670 . 13 1 1 A 59 59 GLY HA2 H 59 3.834 4.008 -0.174 1
1 671 . 13 1 1 A 59 59 GLY HA3 H 59 4.266 4.012 0.254 1
1 672 . 13 1 1 A 59 59 GLY C C 59 174.543 174.650 -0.107 1
1 673 . 13 1 1 A 60 60 THR N N 60 108.632 112.500 -3.868 1
1 674 . 13 1 1 A 60 60 THR H H 60 7.779 8.086 -0.307 1
1 675 . 13 1 1 A 60 60 THR CA C 60 61.017 62.525 -1.508 1
1 676 . 13 1 1 A 60 60 THR HA H 60 4.892 4.518 0.374 1
1 677 . 13 1 1 A 60 60 THR CB C 60 72.426 71.172 1.254 1
1 683 . 13 1 1 A 60 60 THR C C 60 175.144 176.021 -0.877 1
1 684 . 13 1 1 A 61 61 GLY CA C 61 45.320 45.167 0.153 1
1 685 . 13 1 1 A 61 61 GLY HA2 H 61 3.930 3.959 -0.029 1
1 686 . 13 1 1 A 61 61 GLY HA3 H 61 4.183 3.961 0.222 1
1 687 . 13 1 1 A 61 61 GLY C C 61 174.641 174.295 0.346 1
1 688 . 13 1 1 A 62 62 ARG N N 62 121.575 120.150 1.425 1
1 689 . 13 1 1 A 62 62 ARG H H 62 8.229 7.332 0.897 1
1 690 . 13 1 1 A 62 62 ARG CA C 62 56.440 56.070 0.370 1
1 691 . 13 1 1 A 62 62 ARG HA H 62 4.380 4.367 0.013 1
1 692 . 13 1 1 A 62 62 ARG CB C 62 30.667 31.256 -0.589 1
1 701 . 13 1 1 A 62 62 ARG C C 62 174.530 175.028 -0.498 1
1 702 . 13 1 1 A 63 63 GLN N N 63 124.206 124.051 0.155 1
1 703 . 13 1 1 A 63 63 GLN H H 63 8.473 8.759 -0.286 1
1 704 . 13 1 1 A 63 63 GLN CA C 63 54.768 54.575 0.193 1
1 705 . 13 1 1 A 63 63 GLN HA H 63 5.449 5.472 -0.023 1
1 706 . 13 1 1 A 63 63 GLN CB C 63 32.243 32.599 -0.356 1
1 715 . 13 1 1 A 63 63 GLN C C 63 174.555 174.943 -0.388 1
1 716 . 13 1 1 A 64 64 GLY N N 64 111.132 112.255 -1.123 1
1 717 . 13 1 1 A 64 64 GLY H H 64 8.962 8.361 0.601 1
1 718 . 13 1 1 A 64 64 GLY CA C 64 45.780 45.589 0.191 1
1 719 . 13 1 1 A 64 64 GLY HA2 H 64 4.498 4.258 0.240 1
1 720 . 13 1 1 A 64 64 GLY HA3 H 64 4.351 4.299 0.052 1
1 721 . 13 1 1 A 64 64 GLY C C 64 172.117 172.453 -0.336 1
1 722 . 13 1 1 A 65 65 ILE N N 65 114.051 115.894 -1.843 1
1 723 . 13 1 1 A 65 65 ILE H H 65 8.824 9.030 -0.206 1
1 724 . 13 1 1 A 65 65 ILE CA C 65 59.949 59.899 0.050 1
1 725 . 13 1 1 A 65 65 ILE HA H 65 6.195 4.926 1.269 1
1 726 . 13 1 1 A 65 65 ILE CB C 65 41.669 39.586 2.083 1
1 739 . 13 1 1 A 65 65 ILE C C 65 176.874 175.645 1.229 1
1 740 . 13 1 1 A 66 66 PHE N N 66 116.902 118.450 -1.548 1
1 741 . 13 1 1 A 66 66 PHE H H 66 8.770 8.662 0.108 1
1 742 . 13 1 1 A 66 66 PHE CA C 66 56.114 55.386 0.728 1
1 743 . 13 1 1 A 66 66 PHE HA H 66 4.952 5.034 -0.082 1
1 744 . 13 1 1 A 66 66 PHE CB C 66 38.504 39.528 -1.024 1
1 757 . 13 1 1 A 66 66 PHE C C 66 170.992 171.819 -0.827 1
1 758 . 13 1 1 A 67 67 PRO CA C 67 61.161 62.466 -1.305 1
1 759 . 13 1 1 A 67 67 PRO HA H 67 3.678 4.279 -0.601 1
1 760 . 13 1 1 A 67 67 PRO CB C 67 30.788 31.587 -0.799 1
1 769 . 13 1 1 A 67 67 PRO C C 67 177.819 177.679 0.140 1
1 770 . 13 1 1 A 68 68 ALA N N 68 126.195 128.391 -2.196 1
1 771 . 13 1 1 A 68 68 ALA H H 68 8.458 8.677 -0.219 1
1 772 . 13 1 1 A 68 68 ALA CA C 68 54.676 55.169 -0.493 1
1 773 . 13 1 1 A 68 68 ALA HA H 68 4.008 4.269 -0.261 1
1 774 . 13 1 1 A 68 68 ALA CB C 68 18.986 18.245 0.741 1
1 778 . 13 1 1 A 68 68 ALA C C 68 178.933 179.851 -0.918 1
1 779 . 13 1 1 A 69 69 SER N N 69 110.156 113.944 -3.788 1
1 780 . 13 1 1 A 69 69 SER H H 69 8.370 8.084 0.286 1
1 781 . 13 1 1 A 69 69 SER CA C 69 60.250 60.980 -0.730 1
1 782 . 13 1 1 A 69 69 SER HA H 69 4.265 4.215 0.050 1
1 783 . 13 1 1 A 69 69 SER CB C 69 62.718 63.118 -0.400 1
1 786 . 13 1 1 A 69 69 SER C C 69 175.748 174.997 0.751 1
1 787 . 13 1 1 A 70 70 TYR N N 70 119.475 118.307 1.168 1
1 788 . 13 1 1 A 70 70 TYR H H 70 7.728 7.876 -0.148 1
1 789 . 13 1 1 A 70 70 TYR CA C 70 60.061 59.103 0.958 1
1 790 . 13 1 1 A 70 70 TYR HA H 70 4.620 4.679 -0.059 1
1 791 . 13 1 1 A 70 70 TYR CB C 70 39.039 40.407 -1.368 1
1 802 . 13 1 1 A 70 70 TYR C C 70 176.140 176.078 0.062 1
1 803 . 13 1 1 A 71 71 VAL N N 71 110.320 115.055 -4.735 1
1 804 . 13 1 1 A 71 71 VAL H H 71 8.064 7.051 1.013 1
1 805 . 13 1 1 A 71 71 VAL CA C 71 58.737 59.747 -1.010 1
1 806 . 13 1 1 A 71 71 VAL HA H 71 5.073 4.586 0.487 1
1 807 . 13 1 1 A 71 71 VAL CB C 71 35.550 34.101 1.449 1
1 817 . 13 1 1 A 71 71 VAL C C 71 173.044 173.894 -0.850 1
1 818 . 13 1 1 A 72 72 GLN N N 72 119.621 121.508 -1.887 1
1 819 . 13 1 1 A 72 72 GLN H H 72 8.448 8.980 -0.532 1
1 820 . 13 1 1 A 72 72 GLN CA C 72 54.351 54.313 0.038 1
1 821 . 13 1 1 A 72 72 GLN HA H 72 4.724 4.907 -0.183 1
1 822 . 13 1 1 A 72 72 GLN CB C 72 30.373 32.144 -1.771 1
1 831 . 13 1 1 A 72 72 GLN C C 72 176.050 174.368 1.682 1
1 832 . 13 1 1 A 73 73 VAL N N 73 130.439 127.772 2.667 1
1 833 . 13 1 1 A 73 73 VAL H H 73 9.369 8.911 0.458 1
1 834 . 13 1 1 A 73 73 VAL CA C 73 63.957 62.676 1.281 1
1 835 . 13 1 1 A 73 73 VAL HA H 73 3.856 4.063 -0.207 1
1 836 . 13 1 1 A 73 73 VAL CB C 73 32.616 31.741 0.875 1
1 846 . 13 1 1 A 73 73 VAL C C 73 176.043 175.577 0.466 1
1 847 . 13 1 1 A 74 74 SER N N 74 123.766 121.900 1.866 1
1 848 . 13 1 1 A 74 74 SER H H 74 8.708 8.608 0.100 1
1 849 . 13 1 1 A 74 74 SER CA C 74 58.930 59.557 -0.627 1
1 850 . 13 1 1 A 74 74 SER HA H 74 4.627 4.614 0.013 1
1 851 . 13 1 1 A 74 74 SER CB C 74 63.548 64.529 -0.981 1
1 854 . 13 1 1 A 74 74 SER C C 74 174.821 174.731 0.090 1
1 855 . 13 1 1 A 75 75 ARG N N 75 122.335 119.991 2.344 1
1 856 . 13 1 1 A 75 75 ARG H H 75 7.690 7.224 0.466 1
1 857 . 13 1 1 A 75 75 ARG CA C 75 56.185 55.215 0.970 1
1 858 . 13 1 1 A 75 75 ARG HA H 75 4.526 4.806 -0.280 1
1 859 . 13 1 1 A 75 75 ARG CB C 75 33.734 32.986 0.748 1
1 868 . 13 1 1 A 75 75 ARG C C 75 174.824 174.424 0.400 1
1 869 . 13 1 1 A 76 76 GLU N N 76 126.797 127.453 -0.656 1
1 870 . 13 1 1 A 76 76 GLU H H 76 8.916 8.535 0.381 1
1 871 . 13 1 1 A 76 76 GLU CA C 76 54.874 55.118 -0.244 1
1 872 . 13 1 1 A 76 76 GLU HA H 76 4.561 4.477 0.084 1
1 873 . 13 1 1 A 76 76 GLU CB C 76 28.925 29.227 -0.302 1
1 879 . 13 1 1 A 76 76 GLU C C 76 175.557 175.106 0.451 1
1 880 . 13 1 1 A 77 77 PRO CA C 77 62.726 62.323 0.403 1
1 881 . 13 1 1 A 77 77 PRO HA H 77 4.584 4.578 0.006 1
1 882 . 13 1 1 A 77 77 PRO CB C 77 32.153 32.960 -0.807 1
1 891 . 13 1 1 A 78 78 ARG N N 78 120.959 121.620 -0.661 1
1 892 . 13 1 1 A 78 78 ARG H H 78 8.814 8.615 0.199 1
1 893 . 13 1 1 A 78 78 ARG CA C 78 55.491 54.724 0.767 1
1 894 . 13 1 1 A 78 78 ARG HA H 78 4.743 4.962 -0.219 1
1 895 . 13 1 1 A 78 78 ARG CB C 78 33.443 34.094 -0.651 1
1 904 . 13 1 1 A 79 79 LEU N N 79 125.756 125.953 -0.197 1
1 905 . 13 1 1 A 79 79 LEU H H 79 8.789 8.859 -0.070 1
1 906 . 13 1 1 A 79 79 LEU CA C 79 54.346 55.734 -1.388 1
1 907 . 13 1 1 A 79 79 LEU HA H 79 5.007 4.526 0.481 1
1 908 . 13 1 1 A 79 79 LEU CB C 79 44.609 43.636 0.973 1
1 917 . 13 1 1 A 80 80 ARG N N 80 121.792 116.137 5.655 1
1 918 . 13 1 1 A 80 80 ARG H H 80 8.908 7.643 1.265 1
1 919 . 13 1 1 A 80 80 ARG CA C 80 54.966 55.621 -0.655 1
1 920 . 13 1 1 A 80 80 ARG HA H 80 4.611 4.653 -0.042 1
1 921 . 13 1 1 A 80 80 ARG CB C 80 32.686 32.490 0.196 1
1 924 . 13 1 1 A 81 81 LEU N N 81 126.556 127.876 -1.320 1
1 925 . 13 1 1 A 81 81 LEU H H 81 8.702 8.573 0.129 1
1 926 . 13 1 1 A 81 81 LEU CA C 81 55.199 54.137 1.062 1
1 927 . 13 1 1 A 81 81 LEU HA H 81 4.472 4.523 -0.051 1
1 928 . 13 1 1 A 81 81 LEU CB C 81 42.368 40.572 1.796 1
1 941 . 13 1 1 A 82 82 CYS N N 82 121.583 123.653 -2.070 1
1 942 . 13 1 1 A 82 82 CYS H H 82 8.466 8.580 -0.114 1
1 943 . 13 1 1 A 82 82 CYS CA C 82 58.583 60.211 -1.628 1
1 944 . 13 1 1 A 82 82 CYS HA H 82 4.475 3.998 0.477 1
1 945 . 13 1 1 A 82 82 CYS CB C 82 28.438 26.305 2.133 1
1 948 . 13 1 1 A 83 83 ASP N N 83 122.639 120.255 2.384 1
1 949 . 13 1 1 A 83 83 ASP H H 83 8.400 7.927 0.473 1
1 950 . 13 1 1 A 83 83 ASP CA C 83 54.210 54.382 -0.172 1
1 951 . 13 1 1 A 83 83 ASP HA H 83 4.654 4.452 0.202 1
1 952 . 13 1 1 A 83 83 ASP CB C 83 41.291 41.576 -0.285 1
1 955 . 13 1 1 A 83 83 ASP C C 83 175.900 175.241 0.659 1
1 956 . 13 1 1 A 84 84 ASP N N 84 121.113 128.193 -7.080 1
1 957 . 13 1 1 A 84 84 ASP H H 84 8.310 8.639 -0.329 1
1 958 . 13 1 1 A 84 84 ASP CA C 84 54.330 55.130 -0.800 1
1 959 . 13 1 1 A 84 84 ASP HA H 84 4.650 4.560 0.090 1
1 960 . 13 1 1 A 84 84 ASP CB C 84 41.283 40.869 0.414 1
1 963 . 13 1 1 A 84 84 ASP C C 84 176.407 175.445 0.962 1
1 964 . 13 1 1 A 85 85 SER N N 85 116.212 119.179 -2.967 1
1 965 . 13 1 1 A 85 85 SER H H 85 8.332 8.612 -0.280 1
1 966 . 13 1 1 A 85 85 SER CA C 85 58.819 56.609 2.210 1
1 967 . 13 1 1 A 85 85 SER HA H 85 4.438 5.069 -0.631 1
1 968 . 13 1 1 A 85 85 SER CB C 85 63.961 66.329 -2.368 1
1 971 . 13 1 1 A 85 85 SER C C 85 174.867 173.437 1.430 1
1 972 . 13 1 1 A 86 86 GLY N N 86 110.652 108.405 2.247 1
1 973 . 13 1 1 A 86 86 GLY H H 86 8.251 8.549 -0.298 1
1 974 . 13 1 1 A 86 86 GLY CA C 86 44.758 46.278 -1.520 1
1 975 . 13 1 1 A 86 86 GLY HA2 H 86 4.109 3.897 0.212 1
1 976 . 13 1 1 A 86 86 GLY HA3 H 86 4.109 3.897 0.212 1
1 977 . 13 1 1 A 86 86 GLY C C 86 171.914 173.470 -1.556 1
1 978 . 13 1 1 A 87 87 PRO CA C 87 63.192 62.929 0.263 1
1 979 . 13 1 1 A 87 87 PRO HA H 87 4.484 4.502 -0.018 1
1 980 . 13 1 1 A 87 87 PRO CB C 87 32.243 32.414 -0.171 1
1 989 . 13 1 1 A 87 87 PRO C C 87 177.470 175.841 1.629 1
1 990 . 13 1 1 A 88 88 SER N N 88 116.433 117.840 -1.407 1
1 991 . 13 1 1 A 88 88 SER H H 88 8.518 8.570 -0.052 1
1 992 . 13 1 1 A 88 88 SER CA C 88 58.330 57.009 1.321 1
1 993 . 13 1 1 A 88 88 SER HA H 88 4.571 4.753 -0.182 1
1 994 . 13 1 1 A 88 88 SER CB C 88 63.896 64.195 -0.299 1
1 997 . 13 1 1 A 88 88 SER C C 88 174.747 173.334 1.413 1
1 998 . 13 1 1 A 89 89 SER N N 89 117.882 121.868 -3.986 1
1 999 . 13 1 1 A 89 89 SER H H 89 8.335 8.737 -0.402 1
1 1000 . 13 1 1 A 89 89 SER CA C 89 58.497 59.685 -1.188 1
1 1001 . 13 1 1 A 89 89 SER CB C 89 64.209 62.700 1.509 1
1 1004 . 13 1 1 A 89 89 SER C C 89 174.100 175.130 -1.030 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.146 44.483 0.663 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.966 4.126 -0.160 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.966 4.127 -0.161 1
1 4 . 14 1 1 A 7 7 GLY C C 7 173.687 171.431 2.256 1
1 5 . 14 1 1 A 8 8 LYS N N 8 122.140 117.603 4.537 1
1 6 . 14 1 1 A 8 8 LYS H H 8 8.107 8.515 -0.408 1
1 7 . 14 1 1 A 8 8 LYS CA C 8 54.053 54.130 -0.077 1
1 8 . 14 1 1 A 8 8 LYS HA H 8 4.620 5.026 -0.406 1
1 9 . 14 1 1 A 8 8 LYS CB C 8 32.649 35.915 -3.266 1
1 21 . 14 1 1 A 8 8 LYS C C 8 174.270 173.679 0.591 1
1 22 . 14 1 1 A 9 9 PRO CA C 9 61.632 61.650 -0.018 1
1 23 . 14 1 1 A 9 9 PRO HA H 9 4.687 4.636 0.051 1
1 24 . 14 1 1 A 9 9 PRO CB C 9 30.855 31.642 -0.787 1
1 33 . 14 1 1 A 10 10 PRO CA C 10 62.942 62.688 0.254 1
1 34 . 14 1 1 A 10 10 PRO HA H 10 4.473 4.619 -0.146 1
1 35 . 14 1 1 A 10 10 PRO CB C 10 32.197 32.868 -0.671 1
1 44 . 14 1 1 A 11 11 THR N N 11 128.434 117.087 11.347 1
1 45 . 14 1 1 A 11 11 THR H H 11 8.172 8.598 -0.426 1
1 46 . 14 1 1 A 11 11 THR CA C 11 61.644 61.762 -0.118 1
1 47 . 14 1 1 A 11 11 THR HA H 11 4.357 4.770 -0.413 1
1 48 . 14 1 1 A 11 11 THR CB C 11 70.204 71.466 -1.262 1
1 54 . 14 1 1 A 12 12 TYR N N 12 120.312 128.140 -7.828 1
1 55 . 14 1 1 A 12 12 TYR H H 12 8.033 9.055 -1.022 1
1 56 . 14 1 1 A 12 12 TYR CA C 12 56.633 57.510 -0.877 1
1 57 . 14 1 1 A 12 12 TYR HA H 12 4.967 4.478 0.489 1
1 58 . 14 1 1 A 12 12 TYR CB C 12 40.403 38.113 2.290 1
1 69 . 14 1 1 A 13 13 GLN H H 13 8.634 8.181 0.453 1
1 70 . 14 1 1 A 13 13 GLN CA C 13 54.519 55.619 -1.100 1
1 71 . 14 1 1 A 13 13 GLN HA H 13 4.626 4.509 0.117 1
1 72 . 14 1 1 A 13 13 GLN CB C 13 31.183 29.762 1.421 1
1 81 . 14 1 1 A 14 14 VAL N N 14 124.270 118.166 6.104 1
1 82 . 14 1 1 A 14 14 VAL H H 14 8.773 7.406 1.367 1
1 83 . 14 1 1 A 14 14 VAL CA C 14 62.977 61.644 1.333 1
1 84 . 14 1 1 A 14 14 VAL HA H 14 4.018 4.295 -0.277 1
1 85 . 14 1 1 A 14 14 VAL CB C 14 32.909 30.919 1.990 1
1 95 . 14 1 1 A 15 15 LEU N N 15 128.403 123.939 4.464 1
1 96 . 14 1 1 A 15 15 LEU H H 15 8.726 7.201 1.525 1
1 97 . 14 1 1 A 15 15 LEU CA C 15 55.620 55.607 0.013 1
1 98 . 14 1 1 A 15 15 LEU HA H 15 4.412 4.434 -0.022 1
1 99 . 14 1 1 A 15 15 LEU CB C 15 42.580 42.476 0.104 1
1 112 . 14 1 1 A 16 16 GLU H H 16 8.687 9.043 -0.356 1
1 113 . 14 1 1 A 16 16 GLU CA C 16 55.492 55.935 -0.443 1
1 114 . 14 1 1 A 16 16 GLU HA H 16 4.401 4.623 -0.222 1
1 115 . 14 1 1 A 16 16 GLU CB C 16 32.409 29.132 3.277 1
1 120 . 14 1 1 A 17 17 TYR N N 17 124.726 121.309 3.417 1
1 121 . 14 1 1 A 17 17 TYR H H 17 8.505 8.033 0.472 1
1 122 . 14 1 1 A 17 17 TYR CA C 17 58.490 57.880 0.610 1
1 123 . 14 1 1 A 17 17 TYR HA H 17 4.598 4.551 0.047 1
1 124 . 14 1 1 A 17 17 TYR CB C 17 38.814 39.551 -0.737 1
1 135 . 14 1 1 A 18 18 GLY N N 18 106.652 109.551 -2.899 1
1 136 . 14 1 1 A 18 18 GLY H H 18 9.176 8.021 1.155 1
1 137 . 14 1 1 A 18 18 GLY CA C 18 43.947 44.539 -0.592 1
1 138 . 14 1 1 A 18 18 GLY HA2 H 18 3.646 4.091 -0.445 1
1 139 . 14 1 1 A 18 18 GLY HA3 H 18 4.287 4.109 0.178 1
1 140 . 14 1 1 A 19 19 GLU N N 19 122.571 121.514 1.057 1
1 141 . 14 1 1 A 19 19 GLU H H 19 9.450 8.259 1.191 1
1 142 . 14 1 1 A 19 19 GLU CA C 19 56.496 55.107 1.389 1
1 143 . 14 1 1 A 19 19 GLU HA H 19 5.218 5.128 0.090 1
1 144 . 14 1 1 A 19 19 GLU CB C 19 34.419 32.892 1.527 1
1 149 . 14 1 1 A 19 19 GLU C C 19 173.496 175.103 -1.607 1
1 150 . 14 1 1 A 20 20 ALA N N 20 125.442 129.066 -3.624 1
1 151 . 14 1 1 A 20 20 ALA H H 20 8.813 8.325 0.488 1
1 152 . 14 1 1 A 20 20 ALA CA C 20 50.154 50.995 -0.841 1
1 153 . 14 1 1 A 20 20 ALA HA H 20 5.132 5.320 -0.188 1
1 154 . 14 1 1 A 20 20 ALA CB C 20 24.742 22.603 2.139 1
1 158 . 14 1 1 A 20 20 ALA C C 20 174.555 175.662 -1.107 1
1 159 . 14 1 1 A 21 21 VAL N N 21 117.729 121.732 -4.003 1
1 160 . 14 1 1 A 21 21 VAL H H 21 8.118 8.337 -0.219 1
1 161 . 14 1 1 A 21 21 VAL CA C 21 60.211 60.695 -0.484 1
1 162 . 14 1 1 A 21 21 VAL HA H 21 4.478 4.357 0.121 1
1 163 . 14 1 1 A 21 21 VAL CB C 21 34.751 33.884 0.867 1
1 173 . 14 1 1 A 21 21 VAL C C 21 176.351 175.499 0.852 1
1 174 . 14 1 1 A 22 22 ALA N N 22 130.024 129.929 0.095 1
1 175 . 14 1 1 A 22 22 ALA H H 22 8.689 8.245 0.444 1
1 176 . 14 1 1 A 22 22 ALA CA C 22 53.496 52.638 0.858 1
1 177 . 14 1 1 A 22 22 ALA HA H 22 4.170 3.930 0.240 1
1 178 . 14 1 1 A 22 22 ALA CB C 22 20.793 19.004 1.789 1
1 182 . 14 1 1 A 22 22 ALA C C 22 178.156 176.773 1.383 1
1 183 . 14 1 1 A 23 23 GLN N N 23 126.904 120.465 6.439 1
1 184 . 14 1 1 A 23 23 GLN H H 23 9.442 8.586 0.856 1
1 185 . 14 1 1 A 23 23 GLN CA C 23 55.611 56.492 -0.881 1
1 186 . 14 1 1 A 23 23 GLN HA H 23 4.202 4.509 -0.307 1
1 187 . 14 1 1 A 23 23 GLN CB C 23 30.345 31.362 -1.017 1
1 196 . 14 1 1 A 23 23 GLN C C 23 173.200 175.597 -2.397 1
1 197 . 14 1 1 A 24 24 TYR N N 24 115.157 116.968 -1.811 1
1 198 . 14 1 1 A 24 24 TYR H H 24 7.696 7.620 0.076 1
1 199 . 14 1 1 A 24 24 TYR CA C 24 55.303 56.679 -1.376 1
1 200 . 14 1 1 A 24 24 TYR HA H 24 4.847 5.313 -0.466 1
1 201 . 14 1 1 A 24 24 TYR CB C 24 43.087 42.252 0.835 1
1 212 . 14 1 1 A 24 24 TYR C C 24 173.829 175.994 -2.165 1
1 213 . 14 1 1 A 25 25 THR N N 25 118.997 119.647 -0.650 1
1 214 . 14 1 1 A 25 25 THR H H 25 8.697 9.128 -0.431 1
1 215 . 14 1 1 A 25 25 THR CA C 25 63.201 63.616 -0.415 1
1 216 . 14 1 1 A 25 25 THR HA H 25 4.483 4.660 -0.177 1
1 217 . 14 1 1 A 25 25 THR CB C 25 70.228 68.847 1.381 1
1 223 . 14 1 1 A 25 25 THR C C 25 173.214 174.071 -0.857 1
1 224 . 14 1 1 A 26 26 PHE N N 26 129.691 127.970 1.721 1
1 225 . 14 1 1 A 26 26 PHE H H 26 8.460 8.487 -0.027 1
1 226 . 14 1 1 A 26 26 PHE CA C 26 55.887 57.223 -1.336 1
1 227 . 14 1 1 A 26 26 PHE HA H 26 4.631 5.059 -0.428 1
1 228 . 14 1 1 A 26 26 PHE CB C 26 42.134 40.989 1.145 1
1 241 . 14 1 1 A 26 26 PHE C C 26 173.089 174.395 -1.306 1
1 242 . 14 1 1 A 27 27 LYS N N 27 129.755 125.441 4.314 1
1 243 . 14 1 1 A 27 27 LYS H H 27 7.879 7.306 0.573 1
1 244 . 14 1 1 A 27 27 LYS CA C 27 54.562 54.724 -0.162 1
1 245 . 14 1 1 A 27 27 LYS HA H 27 4.023 4.904 -0.881 1
1 246 . 14 1 1 A 27 27 LYS CB C 27 32.490 35.746 -3.256 1
1 258 . 14 1 1 A 27 27 LYS C C 27 174.852 174.923 -0.071 1
1 259 . 14 1 1 A 28 28 GLY N N 28 113.171 112.835 0.336 1
1 260 . 14 1 1 A 28 28 GLY H H 28 7.726 8.588 -0.862 1
1 261 . 14 1 1 A 28 28 GLY CA C 28 45.922 44.925 0.997 1
1 262 . 14 1 1 A 28 28 GLY HA2 H 28 3.151 4.540 -1.389 1
1 263 . 14 1 1 A 28 28 GLY HA3 H 28 3.619 4.702 -1.083 1
1 264 . 14 1 1 A 28 28 GLY C C 28 173.250 174.125 -0.875 1
1 265 . 14 1 1 A 29 29 ASP N N 29 121.578 119.596 1.982 1
1 266 . 14 1 1 A 29 29 ASP H H 29 8.743 8.708 0.035 1
1 267 . 14 1 1 A 29 29 ASP CA C 29 55.162 54.830 0.332 1
1 268 . 14 1 1 A 29 29 ASP HA H 29 4.616 4.902 -0.286 1
1 269 . 14 1 1 A 29 29 ASP CB C 29 42.815 42.984 -0.169 1
1 272 . 14 1 1 A 29 29 ASP C C 29 176.583 176.461 0.122 1
1 273 . 14 1 1 A 30 30 LEU N N 30 119.139 120.157 -1.018 1
1 274 . 14 1 1 A 30 30 LEU H H 30 8.069 7.748 0.321 1
1 275 . 14 1 1 A 30 30 LEU CA C 30 54.174 54.438 -0.264 1
1 276 . 14 1 1 A 30 30 LEU HA H 30 4.585 4.328 0.257 1
1 277 . 14 1 1 A 30 30 LEU CB C 30 44.109 42.353 1.756 1
1 290 . 14 1 1 A 30 30 LEU C C 30 179.241 178.128 1.113 1
1 291 . 14 1 1 A 31 31 GLU N N 31 122.182 123.411 -1.229 1
1 292 . 14 1 1 A 31 31 GLU H H 31 8.905 8.978 -0.073 1
1 293 . 14 1 1 A 31 31 GLU CA C 31 59.392 60.106 -0.714 1
1 294 . 14 1 1 A 31 31 GLU HA H 31 4.151 3.983 0.168 1
1 295 . 14 1 1 A 31 31 GLU CB C 31 29.605 29.239 0.366 1
1 301 . 14 1 1 A 31 31 GLU C C 31 177.520 178.272 -0.752 1
1 302 . 14 1 1 A 32 32 VAL N N 32 108.281 117.731 -9.450 1
1 303 . 14 1 1 A 32 32 VAL H H 32 7.186 7.642 -0.456 1
1 304 . 14 1 1 A 32 32 VAL CA C 32 61.950 65.171 -3.221 1
1 305 . 14 1 1 A 32 32 VAL HA H 32 4.365 3.811 0.554 1
1 306 . 14 1 1 A 32 32 VAL CB C 32 32.222 31.507 0.715 1
1 316 . 14 1 1 A 32 32 VAL C C 32 176.602 176.456 0.146 1
1 317 . 14 1 1 A 33 33 GLU N N 33 120.835 122.185 -1.350 1
1 318 . 14 1 1 A 33 33 GLU H H 33 7.751 7.884 -0.133 1
1 319 . 14 1 1 A 33 33 GLU CA C 33 55.560 56.184 -0.624 1
1 320 . 14 1 1 A 33 33 GLU HA H 33 5.106 4.483 0.623 1
1 321 . 14 1 1 A 33 33 GLU CB C 33 31.354 29.816 1.538 1
1 327 . 14 1 1 A 33 33 GLU C C 33 176.180 175.707 0.473 1
1 328 . 14 1 1 A 34 34 LEU N N 34 126.568 128.627 -2.059 1
1 329 . 14 1 1 A 34 34 LEU H H 34 9.073 8.784 0.289 1
1 330 . 14 1 1 A 34 34 LEU CA C 34 53.385 54.332 -0.947 1
1 331 . 14 1 1 A 34 34 LEU HA H 34 4.481 4.935 -0.454 1
1 332 . 14 1 1 A 34 34 LEU CB C 34 44.305 44.247 0.058 1
1 345 . 14 1 1 A 34 34 LEU C C 34 173.373 175.856 -2.483 1
1 346 . 14 1 1 A 35 35 SER N N 35 116.987 120.329 -3.342 1
1 347 . 14 1 1 A 35 35 SER H H 35 7.561 8.885 -1.324 1
1 348 . 14 1 1 A 35 35 SER CA C 35 58.335 55.742 2.593 1
1 349 . 14 1 1 A 35 35 SER HA H 35 4.569 5.174 -0.605 1
1 350 . 14 1 1 A 35 35 SER CB C 35 64.536 66.029 -1.493 1
1 353 . 14 1 1 A 35 35 SER C C 35 174.513 173.798 0.715 1
1 354 . 14 1 1 A 36 36 PHE N N 36 117.028 116.963 0.065 1
1 355 . 14 1 1 A 36 36 PHE H H 36 8.339 8.512 -0.173 1
1 356 . 14 1 1 A 36 36 PHE CA C 36 55.938 56.210 -0.272 1
1 357 . 14 1 1 A 36 36 PHE HA H 36 4.647 5.184 -0.537 1
1 358 . 14 1 1 A 36 36 PHE CB C 36 39.959 40.613 -0.654 1
1 371 . 14 1 1 A 36 36 PHE C C 36 174.055 172.305 1.750 1
1 372 . 14 1 1 A 37 37 ARG N N 37 120.296 119.877 0.419 1
1 373 . 14 1 1 A 37 37 ARG H H 37 9.859 8.673 1.186 1
1 374 . 14 1 1 A 37 37 ARG CA C 37 53.915 54.540 -0.625 1
1 375 . 14 1 1 A 37 37 ARG HA H 37 4.929 4.881 0.048 1
1 376 . 14 1 1 A 37 37 ARG CB C 37 32.735 32.905 -0.170 1
1 385 . 14 1 1 A 37 37 ARG C C 37 175.793 175.735 0.058 1
1 386 . 14 1 1 A 38 38 LYS N N 38 121.649 124.947 -3.298 1
1 387 . 14 1 1 A 38 38 LYS H H 38 7.938 8.734 -0.796 1
1 388 . 14 1 1 A 38 38 LYS CA C 38 58.880 58.271 0.609 1
1 389 . 14 1 1 A 38 38 LYS HA H 38 3.291 3.945 -0.654 1
1 390 . 14 1 1 A 38 38 LYS CB C 38 32.755 32.044 0.711 1
1 402 . 14 1 1 A 38 38 LYS C C 38 176.459 177.336 -0.877 1
1 403 . 14 1 1 A 39 39 GLY N N 39 114.431 115.043 -0.612 1
1 404 . 14 1 1 A 39 39 GLY H H 39 8.618 9.141 -0.523 1
1 405 . 14 1 1 A 39 39 GLY CA C 39 44.652 45.075 -0.423 1
1 406 . 14 1 1 A 39 39 GLY HA2 H 39 3.438 3.968 -0.530 1
1 407 . 14 1 1 A 39 39 GLY HA3 H 39 4.399 3.994 0.405 1
1 408 . 14 1 1 A 39 39 GLY C C 39 174.586 174.408 0.178 1
1 409 . 14 1 1 A 40 40 GLU N N 40 119.554 121.226 -1.672 1
1 410 . 14 1 1 A 40 40 GLU H H 40 7.931 8.302 -0.371 1
1 411 . 14 1 1 A 40 40 GLU CA C 40 59.197 57.392 1.805 1
1 412 . 14 1 1 A 40 40 GLU HA H 40 4.272 4.374 -0.102 1
1 413 . 14 1 1 A 40 40 GLU CB C 40 30.759 30.868 -0.109 1
1 419 . 14 1 1 A 40 40 GLU C C 40 175.278 175.648 -0.370 1
1 420 . 14 1 1 A 41 41 HIS N N 41 121.677 119.744 1.933 1
1 421 . 14 1 1 A 41 41 HIS H H 41 8.837 9.035 -0.198 1
1 422 . 14 1 1 A 41 41 HIS CA C 41 56.432 55.476 0.956 1
1 423 . 14 1 1 A 41 41 HIS HA H 41 4.817 5.042 -0.225 1
1 424 . 14 1 1 A 41 41 HIS CB C 41 30.260 31.667 -1.407 1
1 431 . 14 1 1 A 41 41 HIS C C 41 174.622 174.613 0.009 1
1 432 . 14 1 1 A 42 42 ILE N N 42 123.889 123.138 0.751 1
1 433 . 14 1 1 A 42 42 ILE H H 42 8.753 8.900 -0.147 1
1 434 . 14 1 1 A 42 42 ILE CA C 42 60.433 59.895 0.538 1
1 435 . 14 1 1 A 42 42 ILE HA H 42 4.079 4.675 -0.596 1
1 436 . 14 1 1 A 42 42 ILE CB C 42 42.258 40.727 1.531 1
1 449 . 14 1 1 A 42 42 ILE C C 42 174.377 174.577 -0.200 1
1 450 . 14 1 1 A 43 43 CYS N N 43 127.431 127.478 -0.047 1
1 451 . 14 1 1 A 43 43 CYS H H 43 8.877 9.043 -0.166 1
1 452 . 14 1 1 A 43 43 CYS CA C 43 57.909 57.953 -0.044 1
1 453 . 14 1 1 A 43 43 CYS HA H 43 4.654 5.031 -0.377 1
1 454 . 14 1 1 A 43 43 CYS CB C 43 26.650 29.735 -3.085 1
1 457 . 14 1 1 A 43 43 CYS C C 43 174.875 173.951 0.924 1
1 458 . 14 1 1 A 44 44 LEU N N 44 126.732 127.812 -1.080 1
1 459 . 14 1 1 A 44 44 LEU H H 44 7.724 8.545 -0.821 1
1 460 . 14 1 1 A 44 44 LEU CA C 44 53.741 55.012 -1.271 1
1 461 . 14 1 1 A 44 44 LEU HA H 44 4.546 4.673 -0.127 1
1 462 . 14 1 1 A 44 44 LEU CB C 44 43.286 41.055 2.231 1
1 475 . 14 1 1 A 44 44 LEU C C 44 175.004 176.172 -1.168 1
1 476 . 14 1 1 A 45 45 ILE N N 45 125.519 126.796 -1.277 1
1 477 . 14 1 1 A 45 45 ILE H H 45 9.058 9.273 -0.215 1
1 478 . 14 1 1 A 45 45 ILE CA C 45 63.488 63.708 -0.220 1
1 479 . 14 1 1 A 45 45 ILE HA H 45 4.121 4.102 0.019 1
1 480 . 14 1 1 A 45 45 ILE CB C 45 39.808 38.456 1.352 1
1 493 . 14 1 1 A 46 46 ARG N N 46 105.448 117.896 -12.448 1
1 494 . 14 1 1 A 46 46 ARG H H 46 7.377 7.721 -0.344 1
1 495 . 14 1 1 A 46 46 ARG CA C 46 54.848 55.390 -0.542 1
1 496 . 14 1 1 A 46 46 ARG HA H 46 4.576 4.592 -0.016 1
1 497 . 14 1 1 A 46 46 ARG CB C 46 32.078 32.885 -0.807 1
1 508 . 14 1 1 A 46 46 ARG C C 46 174.353 174.780 -0.427 1
1 509 . 14 1 1 A 47 47 LYS N N 47 124.397 128.273 -3.876 1
1 510 . 14 1 1 A 47 47 LYS H H 47 9.254 8.628 0.626 1
1 511 . 14 1 1 A 47 47 LYS CA C 47 56.832 57.618 -0.786 1
1 512 . 14 1 1 A 47 47 LYS HA H 47 4.353 4.374 -0.021 1
1 513 . 14 1 1 A 47 47 LYS CB C 47 32.868 33.220 -0.352 1
1 525 . 14 1 1 A 47 47 LYS C C 47 176.540 176.991 -0.451 1
1 526 . 14 1 1 A 48 48 VAL N N 48 126.203 127.747 -1.544 1
1 527 . 14 1 1 A 48 48 VAL H H 48 8.289 8.714 -0.425 1
1 528 . 14 1 1 A 48 48 VAL CA C 48 63.966 65.104 -1.138 1
1 529 . 14 1 1 A 48 48 VAL HA H 48 3.784 3.779 0.005 1
1 530 . 14 1 1 A 48 48 VAL CB C 48 33.030 32.207 0.823 1
1 540 . 14 1 1 A 48 48 VAL C C 48 175.547 176.106 -0.559 1
1 541 . 14 1 1 A 49 49 ASN N N 49 115.717 115.566 0.151 1
1 542 . 14 1 1 A 49 49 ASN H H 49 8.167 7.841 0.326 1
1 543 . 14 1 1 A 49 49 ASN CA C 49 52.768 51.559 1.209 1
1 544 . 14 1 1 A 49 49 ASN HA H 49 4.428 5.059 -0.631 1
1 545 . 14 1 1 A 49 49 ASN CB C 49 37.683 42.182 -4.499 1
1 551 . 14 1 1 A 49 49 ASN C C 49 174.537 175.944 -1.407 1
1 552 . 14 1 1 A 50 50 GLU N N 50 114.361 120.674 -6.313 1
1 553 . 14 1 1 A 50 50 GLU H H 50 8.781 9.245 -0.464 1
1 554 . 14 1 1 A 50 50 GLU CA C 50 59.835 58.450 1.385 1
1 555 . 14 1 1 A 50 50 GLU HA H 50 3.947 4.033 -0.086 1
1 556 . 14 1 1 A 50 50 GLU CB C 50 29.534 28.839 0.695 1
1 562 . 14 1 1 A 50 50 GLU C C 50 176.796 175.850 0.946 1
1 563 . 14 1 1 A 51 51 ASN N N 51 112.673 116.455 -3.782 1
1 564 . 14 1 1 A 51 51 ASN H H 51 8.535 7.842 0.693 1
1 565 . 14 1 1 A 51 51 ASN CA C 51 53.328 54.128 -0.800 1
1 566 . 14 1 1 A 51 51 ASN HA H 51 4.968 4.817 0.151 1
1 567 . 14 1 1 A 51 51 ASN CB C 51 41.171 41.149 0.022 1
1 573 . 14 1 1 A 51 51 ASN C C 51 174.756 174.970 -0.214 1
1 574 . 14 1 1 A 52 52 TRP N N 52 121.399 118.214 3.185 1
1 575 . 14 1 1 A 52 52 TRP H H 52 7.726 7.732 -0.006 1
1 576 . 14 1 1 A 52 52 TRP CA C 52 57.485 57.833 -0.348 1
1 577 . 14 1 1 A 52 52 TRP HA H 52 5.072 4.704 0.368 1
1 578 . 14 1 1 A 52 52 TRP CB C 52 31.703 30.337 1.366 1
1 593 . 14 1 1 A 52 52 TRP C C 52 174.756 175.795 -1.039 1
1 594 . 14 1 1 A 53 53 TYR N N 53 118.564 119.999 -1.435 1
1 595 . 14 1 1 A 53 53 TYR H H 53 8.443 8.745 -0.302 1
1 596 . 14 1 1 A 53 53 TYR CA C 53 57.305 56.261 1.044 1
1 597 . 14 1 1 A 53 53 TYR HA H 53 4.978 5.236 -0.258 1
1 598 . 14 1 1 A 53 53 TYR CB C 53 44.030 43.454 0.576 1
1 609 . 14 1 1 A 53 53 TYR C C 53 174.045 173.904 0.141 1
1 610 . 14 1 1 A 54 54 GLU N N 54 117.557 120.794 -3.237 1
1 611 . 14 1 1 A 54 54 GLU H H 54 8.906 8.587 0.319 1
1 612 . 14 1 1 A 54 54 GLU CA C 54 54.986 55.112 -0.126 1
1 613 . 14 1 1 A 54 54 GLU HA H 54 5.059 4.866 0.193 1
1 614 . 14 1 1 A 54 54 GLU CB C 54 32.458 33.053 -0.595 1
1 620 . 14 1 1 A 54 54 GLU C C 54 176.438 175.474 0.964 1
1 621 . 14 1 1 A 55 55 GLY N N 55 114.051 112.469 1.582 1
1 622 . 14 1 1 A 55 55 GLY H H 55 9.556 8.516 1.040 1
1 623 . 14 1 1 A 55 55 GLY CA C 55 45.816 45.700 0.116 1
1 624 . 14 1 1 A 55 55 GLY HA2 H 55 5.166 4.543 0.623 1
1 625 . 14 1 1 A 55 55 GLY HA3 H 55 3.929 4.725 -0.796 1
1 626 . 14 1 1 A 55 55 GLY C C 55 169.584 172.688 -3.104 1
1 627 . 14 1 1 A 56 56 ARG N N 56 116.523 117.213 -0.690 1
1 628 . 14 1 1 A 56 56 ARG H H 56 9.093 8.863 0.230 1
1 629 . 14 1 1 A 56 56 ARG CA C 56 53.977 54.137 -0.160 1
1 630 . 14 1 1 A 56 56 ARG HA H 56 5.528 5.330 0.198 1
1 631 . 14 1 1 A 56 56 ARG CB C 56 34.963 34.919 0.044 1
1 640 . 14 1 1 A 56 56 ARG C C 56 174.325 174.594 -0.269 1
1 641 . 14 1 1 A 57 57 ILE N N 57 123.690 122.139 1.551 1
1 642 . 14 1 1 A 57 57 ILE H H 57 8.230 8.701 -0.471 1
1 643 . 14 1 1 A 57 57 ILE CA C 57 59.706 60.519 -0.813 1
1 644 . 14 1 1 A 57 57 ILE HA H 57 4.585 4.684 -0.099 1
1 645 . 14 1 1 A 57 57 ILE CB C 57 35.623 39.001 -3.378 1
1 658 . 14 1 1 A 57 57 ILE C C 57 177.239 175.230 2.009 1
1 659 . 14 1 1 A 58 58 THR N N 58 112.797 120.450 -7.653 1
1 660 . 14 1 1 A 58 58 THR H H 58 8.805 8.180 0.625 1
1 661 . 14 1 1 A 58 58 THR CA C 58 65.598 64.999 0.599 1
1 662 . 14 1 1 A 58 58 THR HA H 58 3.857 3.886 -0.029 1
1 663 . 14 1 1 A 58 58 THR CB C 58 68.553 68.584 -0.031 1
1 669 . 14 1 1 A 59 59 GLY CA C 59 45.463 45.196 0.267 1
1 670 . 14 1 1 A 59 59 GLY HA2 H 59 3.834 4.053 -0.219 1
1 671 . 14 1 1 A 59 59 GLY HA3 H 59 4.266 4.056 0.210 1
1 672 . 14 1 1 A 59 59 GLY C C 59 174.543 173.574 0.969 1
1 673 . 14 1 1 A 60 60 THR N N 60 108.632 109.604 -0.972 1
1 674 . 14 1 1 A 60 60 THR H H 60 7.779 7.532 0.247 1
1 675 . 14 1 1 A 60 60 THR CA C 60 61.017 59.621 1.396 1
1 676 . 14 1 1 A 60 60 THR HA H 60 4.892 4.790 0.102 1
1 677 . 14 1 1 A 60 60 THR CB C 60 72.426 72.408 0.018 1
1 683 . 14 1 1 A 60 60 THR C C 60 175.144 175.164 -0.020 1
1 684 . 14 1 1 A 61 61 GLY CA C 61 45.320 46.105 -0.785 1
1 685 . 14 1 1 A 61 61 GLY HA2 H 61 3.930 3.908 0.022 1
1 686 . 14 1 1 A 61 61 GLY HA3 H 61 4.183 3.910 0.273 1
1 687 . 14 1 1 A 61 61 GLY C C 61 174.641 174.397 0.244 1
1 688 . 14 1 1 A 62 62 ARG N N 62 121.575 120.767 0.808 1
1 689 . 14 1 1 A 62 62 ARG H H 62 8.229 7.856 0.373 1
1 690 . 14 1 1 A 62 62 ARG CA C 62 56.440 56.725 -0.285 1
1 691 . 14 1 1 A 62 62 ARG HA H 62 4.380 4.372 0.008 1
1 692 . 14 1 1 A 62 62 ARG CB C 62 30.667 31.176 -0.509 1
1 701 . 14 1 1 A 62 62 ARG C C 62 174.530 176.144 -1.614 1
1 702 . 14 1 1 A 63 63 GLN N N 63 124.206 123.418 0.788 1
1 703 . 14 1 1 A 63 63 GLN H H 63 8.473 8.601 -0.128 1
1 704 . 14 1 1 A 63 63 GLN CA C 63 54.768 55.533 -0.765 1
1 705 . 14 1 1 A 63 63 GLN HA H 63 5.449 4.903 0.546 1
1 706 . 14 1 1 A 63 63 GLN CB C 63 32.243 31.793 0.450 1
1 715 . 14 1 1 A 63 63 GLN C C 63 174.555 174.818 -0.263 1
1 716 . 14 1 1 A 64 64 GLY N N 64 111.132 111.964 -0.832 1
1 717 . 14 1 1 A 64 64 GLY H H 64 8.962 8.157 0.805 1
1 718 . 14 1 1 A 64 64 GLY CA C 64 45.780 46.095 -0.315 1
1 719 . 14 1 1 A 64 64 GLY HA2 H 64 4.498 4.253 0.245 1
1 720 . 14 1 1 A 64 64 GLY HA3 H 64 4.351 4.274 0.077 1
1 721 . 14 1 1 A 64 64 GLY C C 64 172.117 172.098 0.019 1
1 722 . 14 1 1 A 65 65 ILE N N 65 114.051 118.782 -4.731 1
1 723 . 14 1 1 A 65 65 ILE H H 65 8.824 8.694 0.130 1
1 724 . 14 1 1 A 65 65 ILE CA C 65 59.949 59.214 0.735 1
1 725 . 14 1 1 A 65 65 ILE HA H 65 6.195 5.046 1.149 1
1 726 . 14 1 1 A 65 65 ILE CB C 65 41.669 39.745 1.924 1
1 739 . 14 1 1 A 65 65 ILE C C 65 176.874 175.262 1.612 1
1 740 . 14 1 1 A 66 66 PHE N N 66 116.902 118.344 -1.442 1
1 741 . 14 1 1 A 66 66 PHE H H 66 8.770 8.298 0.472 1
1 742 . 14 1 1 A 66 66 PHE CA C 66 56.114 55.316 0.798 1
1 743 . 14 1 1 A 66 66 PHE HA H 66 4.952 5.001 -0.049 1
1 744 . 14 1 1 A 66 66 PHE CB C 66 38.504 39.523 -1.019 1
1 757 . 14 1 1 A 66 66 PHE C C 66 170.992 171.724 -0.732 1
1 758 . 14 1 1 A 67 67 PRO CA C 67 61.161 62.763 -1.602 1
1 759 . 14 1 1 A 67 67 PRO HA H 67 3.678 4.384 -0.706 1
1 760 . 14 1 1 A 67 67 PRO CB C 67 30.788 31.733 -0.945 1
1 769 . 14 1 1 A 67 67 PRO C C 67 177.819 177.731 0.088 1
1 770 . 14 1 1 A 68 68 ALA N N 68 126.195 128.470 -2.275 1
1 771 . 14 1 1 A 68 68 ALA H H 68 8.458 8.386 0.072 1
1 772 . 14 1 1 A 68 68 ALA CA C 68 54.676 55.542 -0.866 1
1 773 . 14 1 1 A 68 68 ALA HA H 68 4.008 4.233 -0.225 1
1 774 . 14 1 1 A 68 68 ALA CB C 68 18.986 18.595 0.391 1
1 778 . 14 1 1 A 68 68 ALA C C 68 178.933 179.819 -0.886 1
1 779 . 14 1 1 A 69 69 SER N N 69 110.156 114.119 -3.963 1
1 780 . 14 1 1 A 69 69 SER H H 69 8.370 8.177 0.193 1
1 781 . 14 1 1 A 69 69 SER CA C 69 60.250 61.908 -1.658 1
1 782 . 14 1 1 A 69 69 SER HA H 69 4.265 4.170 0.095 1
1 783 . 14 1 1 A 69 69 SER CB C 69 62.718 63.228 -0.510 1
1 786 . 14 1 1 A 69 69 SER C C 69 175.748 175.923 -0.175 1
1 787 . 14 1 1 A 70 70 TYR N N 70 119.475 118.960 0.515 1
1 788 . 14 1 1 A 70 70 TYR H H 70 7.728 7.594 0.134 1
1 789 . 14 1 1 A 70 70 TYR CA C 70 60.061 60.176 -0.115 1
1 790 . 14 1 1 A 70 70 TYR HA H 70 4.620 4.423 0.197 1
1 791 . 14 1 1 A 70 70 TYR CB C 70 39.039 39.430 -0.391 1
1 802 . 14 1 1 A 70 70 TYR C C 70 176.140 176.333 -0.193 1
1 803 . 14 1 1 A 71 71 VAL N N 71 110.320 116.169 -5.849 1
1 804 . 14 1 1 A 71 71 VAL H H 71 8.064 7.729 0.335 1
1 805 . 14 1 1 A 71 71 VAL CA C 71 58.737 59.808 -1.071 1
1 806 . 14 1 1 A 71 71 VAL HA H 71 5.073 4.474 0.599 1
1 807 . 14 1 1 A 71 71 VAL CB C 71 35.550 33.969 1.581 1
1 817 . 14 1 1 A 71 71 VAL C C 71 173.044 174.022 -0.978 1
1 818 . 14 1 1 A 72 72 GLN N N 72 119.621 121.625 -2.004 1
1 819 . 14 1 1 A 72 72 GLN H H 72 8.448 8.831 -0.383 1
1 820 . 14 1 1 A 72 72 GLN CA C 72 54.351 54.275 0.076 1
1 821 . 14 1 1 A 72 72 GLN HA H 72 4.724 5.048 -0.324 1
1 822 . 14 1 1 A 72 72 GLN CB C 72 30.373 31.591 -1.218 1
1 831 . 14 1 1 A 72 72 GLN C C 72 176.050 174.612 1.438 1
1 832 . 14 1 1 A 73 73 VAL N N 73 130.439 126.776 3.663 1
1 833 . 14 1 1 A 73 73 VAL H H 73 9.369 8.890 0.479 1
1 834 . 14 1 1 A 73 73 VAL CA C 73 63.957 61.814 2.143 1
1 835 . 14 1 1 A 73 73 VAL HA H 73 3.856 4.238 -0.382 1
1 836 . 14 1 1 A 73 73 VAL CB C 73 32.616 32.300 0.316 1
1 846 . 14 1 1 A 73 73 VAL C C 73 176.043 175.491 0.552 1
1 847 . 14 1 1 A 74 74 SER N N 74 123.766 121.928 1.838 1
1 848 . 14 1 1 A 74 74 SER H H 74 8.708 8.578 0.130 1
1 849 . 14 1 1 A 74 74 SER CA C 74 58.930 59.496 -0.566 1
1 850 . 14 1 1 A 74 74 SER HA H 74 4.627 4.618 0.009 1
1 851 . 14 1 1 A 74 74 SER CB C 74 63.548 64.471 -0.923 1
1 854 . 14 1 1 A 74 74 SER C C 74 174.821 174.712 0.109 1
1 855 . 14 1 1 A 75 75 ARG N N 75 122.335 119.982 2.353 1
1 856 . 14 1 1 A 75 75 ARG H H 75 7.690 7.306 0.384 1
1 857 . 14 1 1 A 75 75 ARG CA C 75 56.185 55.335 0.850 1
1 858 . 14 1 1 A 75 75 ARG HA H 75 4.526 4.833 -0.307 1
1 859 . 14 1 1 A 75 75 ARG CB C 75 33.734 33.051 0.683 1
1 868 . 14 1 1 A 75 75 ARG C C 75 174.824 174.414 0.410 1
1 869 . 14 1 1 A 76 76 GLU N N 76 126.797 127.300 -0.503 1
1 870 . 14 1 1 A 76 76 GLU H H 76 8.916 8.509 0.407 1
1 871 . 14 1 1 A 76 76 GLU CA C 76 54.874 55.404 -0.530 1
1 872 . 14 1 1 A 76 76 GLU HA H 76 4.561 4.378 0.183 1
1 873 . 14 1 1 A 76 76 GLU CB C 76 28.925 29.122 -0.197 1
1 879 . 14 1 1 A 76 76 GLU C C 76 175.557 174.729 0.828 1
1 880 . 14 1 1 A 77 77 PRO CA C 77 62.726 62.760 -0.034 1
1 881 . 14 1 1 A 77 77 PRO HA H 77 4.584 4.667 -0.083 1
1 882 . 14 1 1 A 77 77 PRO CB C 77 32.153 32.846 -0.693 1
1 891 . 14 1 1 A 78 78 ARG N N 78 120.959 122.365 -1.406 1
1 892 . 14 1 1 A 78 78 ARG H H 78 8.814 8.640 0.174 1
1 893 . 14 1 1 A 78 78 ARG CA C 78 55.491 55.196 0.295 1
1 894 . 14 1 1 A 78 78 ARG HA H 78 4.743 4.743 0.000 1
1 895 . 14 1 1 A 78 78 ARG CB C 78 33.443 33.861 -0.418 1
1 904 . 14 1 1 A 79 79 LEU N N 79 125.756 123.270 2.486 1
1 905 . 14 1 1 A 79 79 LEU H H 79 8.789 8.789 0.000 1
1 906 . 14 1 1 A 79 79 LEU CA C 79 54.346 55.035 -0.689 1
1 907 . 14 1 1 A 79 79 LEU HA H 79 5.007 4.551 0.456 1
1 908 . 14 1 1 A 79 79 LEU CB C 79 44.609 43.184 1.425 1
1 917 . 14 1 1 A 80 80 ARG N N 80 121.792 119.193 2.599 1
1 918 . 14 1 1 A 80 80 ARG H H 80 8.908 7.637 1.271 1
1 919 . 14 1 1 A 80 80 ARG CA C 80 54.966 55.630 -0.664 1
1 920 . 14 1 1 A 80 80 ARG HA H 80 4.611 4.637 -0.026 1
1 921 . 14 1 1 A 80 80 ARG CB C 80 32.686 32.592 0.094 1
1 924 . 14 1 1 A 81 81 LEU N N 81 126.556 127.222 -0.666 1
1 925 . 14 1 1 A 81 81 LEU H H 81 8.702 8.616 0.086 1
1 926 . 14 1 1 A 81 81 LEU CA C 81 55.199 55.854 -0.655 1
1 927 . 14 1 1 A 81 81 LEU HA H 81 4.472 4.216 0.256 1
1 928 . 14 1 1 A 81 81 LEU CB C 81 42.368 41.265 1.103 1
1 941 . 14 1 1 A 82 82 CYS N N 82 121.583 123.330 -1.747 1
1 942 . 14 1 1 A 82 82 CYS H H 82 8.466 8.684 -0.218 1
1 943 . 14 1 1 A 82 82 CYS CA C 82 58.583 57.333 1.250 1
1 944 . 14 1 1 A 82 82 CYS HA H 82 4.475 5.488 -1.013 1
1 945 . 14 1 1 A 82 82 CYS CB C 82 28.438 30.155 -1.717 1
1 948 . 14 1 1 A 83 83 ASP N N 83 122.639 122.306 0.333 1
1 949 . 14 1 1 A 83 83 ASP H H 83 8.400 8.609 -0.209 1
1 950 . 14 1 1 A 83 83 ASP CA C 83 54.210 53.419 0.791 1
1 951 . 14 1 1 A 83 83 ASP HA H 83 4.654 5.061 -0.407 1
1 952 . 14 1 1 A 83 83 ASP CB C 83 41.291 44.829 -3.538 1
1 955 . 14 1 1 A 83 83 ASP C C 83 175.900 175.007 0.893 1
1 956 . 14 1 1 A 84 84 ASP N N 84 121.113 122.821 -1.708 1
1 957 . 14 1 1 A 84 84 ASP H H 84 8.310 9.157 -0.847 1
1 958 . 14 1 1 A 84 84 ASP CA C 84 54.330 55.779 -1.449 1
1 959 . 14 1 1 A 84 84 ASP HA H 84 4.650 4.770 -0.120 1
1 960 . 14 1 1 A 84 84 ASP CB C 84 41.283 43.464 -2.181 1
1 963 . 14 1 1 A 84 84 ASP C C 84 176.407 175.493 0.914 1
1 964 . 14 1 1 A 85 85 SER N N 85 116.212 113.095 3.117 1
1 965 . 14 1 1 A 85 85 SER H H 85 8.332 7.771 0.561 1
1 966 . 14 1 1 A 85 85 SER CA C 85 58.819 57.035 1.784 1
1 967 . 14 1 1 A 85 85 SER HA H 85 4.438 4.852 -0.414 1
1 968 . 14 1 1 A 85 85 SER CB C 85 63.961 65.633 -1.672 1
1 971 . 14 1 1 A 85 85 SER C C 85 174.867 172.866 2.001 1
1 972 . 14 1 1 A 86 86 GLY N N 86 110.652 113.899 -3.247 1
1 973 . 14 1 1 A 86 86 GLY H H 86 8.251 9.077 -0.826 1
1 974 . 14 1 1 A 86 86 GLY CA C 86 44.758 44.154 0.604 1
1 975 . 14 1 1 A 86 86 GLY HA2 H 86 4.109 4.364 -0.255 1
1 976 . 14 1 1 A 86 86 GLY HA3 H 86 4.109 4.365 -0.256 1
1 977 . 14 1 1 A 86 86 GLY C C 86 171.914 172.357 -0.443 1
1 978 . 14 1 1 A 87 87 PRO CA C 87 63.192 62.765 0.427 1
1 979 . 14 1 1 A 87 87 PRO HA H 87 4.484 4.662 -0.178 1
1 980 . 14 1 1 A 87 87 PRO CB C 87 32.243 31.591 0.652 1
1 989 . 14 1 1 A 87 87 PRO C C 87 177.470 176.592 0.878 1
1 990 . 14 1 1 A 88 88 SER N N 88 116.433 118.703 -2.270 1
1 991 . 14 1 1 A 88 88 SER H H 88 8.518 8.550 -0.032 1
1 992 . 14 1 1 A 88 88 SER CA C 88 58.330 58.068 0.262 1
1 993 . 14 1 1 A 88 88 SER HA H 88 4.571 4.470 0.101 1
1 994 . 14 1 1 A 88 88 SER CB C 88 63.896 63.416 0.480 1
1 997 . 14 1 1 A 88 88 SER C C 88 174.747 174.953 -0.206 1
1 998 . 14 1 1 A 89 89 SER N N 89 117.882 123.162 -5.280 1
1 999 . 14 1 1 A 89 89 SER H H 89 8.335 8.973 -0.638 1
1 1000 . 14 1 1 A 89 89 SER CA C 89 58.497 59.001 -0.504 1
1 1001 . 14 1 1 A 89 89 SER CB C 89 64.209 61.843 2.366 1
1 1004 . 14 1 1 A 89 89 SER C C 89 174.100 173.918 0.182 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.146 45.668 -0.522 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.966 4.100 -0.134 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.966 4.102 -0.136 1
1 4 . 15 1 1 A 7 7 GLY C C 7 173.687 173.366 0.321 1
1 5 . 15 1 1 A 8 8 LYS N N 8 122.140 117.932 4.208 1
1 6 . 15 1 1 A 8 8 LYS H H 8 8.107 7.489 0.618 1
1 7 . 15 1 1 A 8 8 LYS CA C 8 54.053 55.132 -1.079 1
1 8 . 15 1 1 A 8 8 LYS HA H 8 4.620 4.478 0.142 1
1 9 . 15 1 1 A 8 8 LYS CB C 8 32.649 32.358 0.291 1
1 21 . 15 1 1 A 8 8 LYS C C 8 174.270 175.918 -1.648 1
1 22 . 15 1 1 A 9 9 PRO CA C 9 61.632 61.505 0.127 1
1 23 . 15 1 1 A 9 9 PRO HA H 9 4.687 4.705 -0.018 1
1 24 . 15 1 1 A 9 9 PRO CB C 9 30.855 31.431 -0.576 1
1 33 . 15 1 1 A 10 10 PRO CA C 10 62.942 62.330 0.612 1
1 34 . 15 1 1 A 10 10 PRO HA H 10 4.473 4.581 -0.108 1
1 35 . 15 1 1 A 10 10 PRO CB C 10 32.197 33.285 -1.088 1
1 44 . 15 1 1 A 11 11 THR N N 11 128.434 113.270 15.164 1
1 45 . 15 1 1 A 11 11 THR H H 11 8.172 8.643 -0.471 1
1 46 . 15 1 1 A 11 11 THR CA C 11 61.644 63.030 -1.386 1
1 47 . 15 1 1 A 11 11 THR HA H 11 4.357 4.530 -0.173 1
1 48 . 15 1 1 A 11 11 THR CB C 11 70.204 70.379 -0.175 1
1 54 . 15 1 1 A 12 12 TYR N N 12 120.312 115.270 5.042 1
1 55 . 15 1 1 A 12 12 TYR H H 12 8.033 7.452 0.581 1
1 56 . 15 1 1 A 12 12 TYR CA C 12 56.633 56.880 -0.247 1
1 57 . 15 1 1 A 12 12 TYR HA H 12 4.967 4.862 0.105 1
1 58 . 15 1 1 A 12 12 TYR CB C 12 40.403 40.308 0.095 1
1 69 . 15 1 1 A 13 13 GLN H H 13 8.634 8.351 0.283 1
1 70 . 15 1 1 A 13 13 GLN CA C 13 54.519 56.134 -1.615 1
1 71 . 15 1 1 A 13 13 GLN HA H 13 4.626 4.204 0.422 1
1 72 . 15 1 1 A 13 13 GLN CB C 13 31.183 28.959 2.224 1
1 81 . 15 1 1 A 14 14 VAL N N 14 124.270 119.251 5.019 1
1 82 . 15 1 1 A 14 14 VAL H H 14 8.773 8.442 0.331 1
1 83 . 15 1 1 A 14 14 VAL CA C 14 62.977 61.797 1.180 1
1 84 . 15 1 1 A 14 14 VAL HA H 14 4.018 4.477 -0.459 1
1 85 . 15 1 1 A 14 14 VAL CB C 14 32.909 30.956 1.953 1
1 95 . 15 1 1 A 15 15 LEU N N 15 128.403 129.048 -0.645 1
1 96 . 15 1 1 A 15 15 LEU H H 15 8.726 7.925 0.801 1
1 97 . 15 1 1 A 15 15 LEU CA C 15 55.620 55.767 -0.147 1
1 98 . 15 1 1 A 15 15 LEU HA H 15 4.412 4.178 0.234 1
1 99 . 15 1 1 A 15 15 LEU CB C 15 42.580 42.045 0.535 1
1 112 . 15 1 1 A 16 16 GLU H H 16 8.687 8.812 -0.125 1
1 113 . 15 1 1 A 16 16 GLU CA C 16 55.492 59.371 -3.879 1
1 114 . 15 1 1 A 16 16 GLU HA H 16 4.401 3.951 0.450 1
1 115 . 15 1 1 A 16 16 GLU CB C 16 32.409 29.327 3.082 1
1 120 . 15 1 1 A 17 17 TYR N N 17 124.726 117.977 6.749 1
1 121 . 15 1 1 A 17 17 TYR H H 17 8.505 7.680 0.825 1
1 122 . 15 1 1 A 17 17 TYR CA C 17 58.490 57.870 0.620 1
1 123 . 15 1 1 A 17 17 TYR HA H 17 4.598 4.558 0.040 1
1 124 . 15 1 1 A 17 17 TYR CB C 17 38.814 39.558 -0.744 1
1 135 . 15 1 1 A 18 18 GLY N N 18 106.652 109.817 -3.165 1
1 136 . 15 1 1 A 18 18 GLY H H 18 9.176 8.218 0.958 1
1 137 . 15 1 1 A 18 18 GLY CA C 18 43.947 45.563 -1.616 1
1 138 . 15 1 1 A 18 18 GLY HA2 H 18 3.646 4.030 -0.384 1
1 139 . 15 1 1 A 18 18 GLY HA3 H 18 4.287 4.039 0.248 1
1 140 . 15 1 1 A 19 19 GLU N N 19 122.571 122.138 0.433 1
1 141 . 15 1 1 A 19 19 GLU H H 19 9.450 8.526 0.924 1
1 142 . 15 1 1 A 19 19 GLU CA C 19 56.496 55.017 1.479 1
1 143 . 15 1 1 A 19 19 GLU HA H 19 5.218 5.122 0.096 1
1 144 . 15 1 1 A 19 19 GLU CB C 19 34.419 33.323 1.096 1
1 149 . 15 1 1 A 19 19 GLU C C 19 173.496 175.241 -1.745 1
1 150 . 15 1 1 A 20 20 ALA N N 20 125.442 127.856 -2.414 1
1 151 . 15 1 1 A 20 20 ALA H H 20 8.813 8.820 -0.007 1
1 152 . 15 1 1 A 20 20 ALA CA C 20 50.154 50.708 -0.554 1
1 153 . 15 1 1 A 20 20 ALA HA H 20 5.132 5.213 -0.081 1
1 154 . 15 1 1 A 20 20 ALA CB C 20 24.742 23.765 0.977 1
1 158 . 15 1 1 A 20 20 ALA C C 20 174.555 174.938 -0.383 1
1 159 . 15 1 1 A 21 21 VAL N N 21 117.729 119.377 -1.648 1
1 160 . 15 1 1 A 21 21 VAL H H 21 8.118 8.505 -0.387 1
1 161 . 15 1 1 A 21 21 VAL CA C 21 60.211 60.234 -0.023 1
1 162 . 15 1 1 A 21 21 VAL HA H 21 4.478 4.392 0.086 1
1 163 . 15 1 1 A 21 21 VAL CB C 21 34.751 35.205 -0.454 1
1 173 . 15 1 1 A 21 21 VAL C C 21 176.351 175.171 1.180 1
1 174 . 15 1 1 A 22 22 ALA N N 22 130.024 129.504 0.520 1
1 175 . 15 1 1 A 22 22 ALA H H 22 8.689 8.312 0.377 1
1 176 . 15 1 1 A 22 22 ALA CA C 22 53.496 52.641 0.855 1
1 177 . 15 1 1 A 22 22 ALA HA H 22 4.170 4.123 0.047 1
1 178 . 15 1 1 A 22 22 ALA CB C 22 20.793 18.861 1.932 1
1 182 . 15 1 1 A 22 22 ALA C C 22 178.156 176.957 1.199 1
1 183 . 15 1 1 A 23 23 GLN N N 23 126.904 123.834 3.070 1
1 184 . 15 1 1 A 23 23 GLN H H 23 9.442 8.569 0.873 1
1 185 . 15 1 1 A 23 23 GLN CA C 23 55.611 57.456 -1.845 1
1 186 . 15 1 1 A 23 23 GLN HA H 23 4.202 4.266 -0.064 1
1 187 . 15 1 1 A 23 23 GLN CB C 23 30.345 29.970 0.375 1
1 196 . 15 1 1 A 23 23 GLN C C 23 173.200 175.655 -2.455 1
1 197 . 15 1 1 A 24 24 TYR N N 24 115.157 115.738 -0.581 1
1 198 . 15 1 1 A 24 24 TYR H H 24 7.696 7.967 -0.271 1
1 199 . 15 1 1 A 24 24 TYR CA C 24 55.303 56.645 -1.342 1
1 200 . 15 1 1 A 24 24 TYR HA H 24 4.847 5.236 -0.389 1
1 201 . 15 1 1 A 24 24 TYR CB C 24 43.087 41.476 1.611 1
1 212 . 15 1 1 A 24 24 TYR C C 24 173.829 176.068 -2.239 1
1 213 . 15 1 1 A 25 25 THR N N 25 118.997 119.398 -0.401 1
1 214 . 15 1 1 A 25 25 THR H H 25 8.697 8.822 -0.125 1
1 215 . 15 1 1 A 25 25 THR CA C 25 63.201 63.733 -0.532 1
1 216 . 15 1 1 A 25 25 THR HA H 25 4.483 4.531 -0.048 1
1 217 . 15 1 1 A 25 25 THR CB C 25 70.228 69.779 0.449 1
1 223 . 15 1 1 A 25 25 THR C C 25 173.214 174.027 -0.813 1
1 224 . 15 1 1 A 26 26 PHE N N 26 129.691 126.373 3.318 1
1 225 . 15 1 1 A 26 26 PHE H H 26 8.460 8.376 0.084 1
1 226 . 15 1 1 A 26 26 PHE CA C 26 55.887 56.251 -0.364 1
1 227 . 15 1 1 A 26 26 PHE HA H 26 4.631 5.256 -0.625 1
1 228 . 15 1 1 A 26 26 PHE CB C 26 42.134 42.727 -0.593 1
1 241 . 15 1 1 A 26 26 PHE C C 26 173.089 173.322 -0.233 1
1 242 . 15 1 1 A 27 27 LYS N N 27 129.755 125.906 3.849 1
1 243 . 15 1 1 A 27 27 LYS H H 27 7.879 7.640 0.239 1
1 244 . 15 1 1 A 27 27 LYS CA C 27 54.562 54.535 0.027 1
1 245 . 15 1 1 A 27 27 LYS HA H 27 4.023 5.077 -1.054 1
1 246 . 15 1 1 A 27 27 LYS CB C 27 32.490 36.168 -3.678 1
1 258 . 15 1 1 A 27 27 LYS C C 27 174.852 174.597 0.255 1
1 259 . 15 1 1 A 28 28 GLY N N 28 113.171 112.050 1.121 1
1 260 . 15 1 1 A 28 28 GLY H H 28 7.726 8.035 -0.309 1
1 261 . 15 1 1 A 28 28 GLY CA C 28 45.922 45.178 0.744 1
1 262 . 15 1 1 A 28 28 GLY HA2 H 28 3.151 4.282 -1.131 1
1 263 . 15 1 1 A 28 28 GLY HA3 H 28 3.619 4.424 -0.805 1
1 264 . 15 1 1 A 28 28 GLY C C 28 173.250 174.102 -0.852 1
1 265 . 15 1 1 A 29 29 ASP N N 29 121.578 121.296 0.282 1
1 266 . 15 1 1 A 29 29 ASP H H 29 8.743 8.556 0.187 1
1 267 . 15 1 1 A 29 29 ASP CA C 29 55.162 55.812 -0.650 1
1 268 . 15 1 1 A 29 29 ASP HA H 29 4.616 4.670 -0.054 1
1 269 . 15 1 1 A 29 29 ASP CB C 29 42.815 42.032 0.783 1
1 272 . 15 1 1 A 29 29 ASP C C 29 176.583 176.938 -0.355 1
1 273 . 15 1 1 A 30 30 LEU N N 30 119.139 119.968 -0.829 1
1 274 . 15 1 1 A 30 30 LEU H H 30 8.069 7.661 0.408 1
1 275 . 15 1 1 A 30 30 LEU CA C 30 54.174 54.981 -0.807 1
1 276 . 15 1 1 A 30 30 LEU HA H 30 4.585 4.251 0.334 1
1 277 . 15 1 1 A 30 30 LEU CB C 30 44.109 42.022 2.087 1
1 290 . 15 1 1 A 30 30 LEU C C 30 179.241 177.936 1.305 1
1 291 . 15 1 1 A 31 31 GLU N N 31 122.182 125.376 -3.194 1
1 292 . 15 1 1 A 31 31 GLU H H 31 8.905 9.146 -0.241 1
1 293 . 15 1 1 A 31 31 GLU CA C 31 59.392 60.497 -1.105 1
1 294 . 15 1 1 A 31 31 GLU HA H 31 4.151 3.943 0.208 1
1 295 . 15 1 1 A 31 31 GLU CB C 31 29.605 29.757 -0.152 1
1 301 . 15 1 1 A 31 31 GLU C C 31 177.520 178.193 -0.673 1
1 302 . 15 1 1 A 32 32 VAL N N 32 108.281 118.388 -10.107 1
1 303 . 15 1 1 A 32 32 VAL H H 32 7.186 7.990 -0.804 1
1 304 . 15 1 1 A 32 32 VAL CA C 32 61.950 65.487 -3.537 1
1 305 . 15 1 1 A 32 32 VAL HA H 32 4.365 3.904 0.461 1
1 306 . 15 1 1 A 32 32 VAL CB C 32 32.222 31.039 1.183 1
1 316 . 15 1 1 A 32 32 VAL C C 32 176.602 176.803 -0.201 1
1 317 . 15 1 1 A 33 33 GLU N N 33 120.835 120.670 0.165 1
1 318 . 15 1 1 A 33 33 GLU H H 33 7.751 7.777 -0.026 1
1 319 . 15 1 1 A 33 33 GLU CA C 33 55.560 56.100 -0.540 1
1 320 . 15 1 1 A 33 33 GLU HA H 33 5.106 4.648 0.458 1
1 321 . 15 1 1 A 33 33 GLU CB C 33 31.354 28.932 2.422 1
1 327 . 15 1 1 A 33 33 GLU C C 33 176.180 175.930 0.250 1
1 328 . 15 1 1 A 34 34 LEU N N 34 126.568 128.676 -2.108 1
1 329 . 15 1 1 A 34 34 LEU H H 34 9.073 8.984 0.089 1
1 330 . 15 1 1 A 34 34 LEU CA C 34 53.385 55.934 -2.549 1
1 331 . 15 1 1 A 34 34 LEU HA H 34 4.481 4.560 -0.079 1
1 332 . 15 1 1 A 34 34 LEU CB C 34 44.305 43.024 1.281 1
1 345 . 15 1 1 A 34 34 LEU C C 34 173.373 175.411 -2.038 1
1 346 . 15 1 1 A 35 35 SER N N 35 116.987 124.610 -7.623 1
1 347 . 15 1 1 A 35 35 SER H H 35 7.561 8.709 -1.148 1
1 348 . 15 1 1 A 35 35 SER CA C 35 58.335 56.781 1.554 1
1 349 . 15 1 1 A 35 35 SER HA H 35 4.569 5.439 -0.870 1
1 350 . 15 1 1 A 35 35 SER CB C 35 64.536 66.462 -1.926 1
1 353 . 15 1 1 A 35 35 SER C C 35 174.513 173.325 1.188 1
1 354 . 15 1 1 A 36 36 PHE N N 36 117.028 119.555 -2.527 1
1 355 . 15 1 1 A 36 36 PHE H H 36 8.339 8.520 -0.181 1
1 356 . 15 1 1 A 36 36 PHE CA C 36 55.938 56.520 -0.582 1
1 357 . 15 1 1 A 36 36 PHE HA H 36 4.647 5.083 -0.436 1
1 358 . 15 1 1 A 36 36 PHE CB C 36 39.959 41.207 -1.248 1
1 371 . 15 1 1 A 36 36 PHE C C 36 174.055 172.075 1.980 1
1 372 . 15 1 1 A 37 37 ARG N N 37 120.296 120.454 -0.158 1
1 373 . 15 1 1 A 37 37 ARG H H 37 9.859 8.632 1.227 1
1 374 . 15 1 1 A 37 37 ARG CA C 37 53.915 54.761 -0.846 1
1 375 . 15 1 1 A 37 37 ARG HA H 37 4.929 4.809 0.120 1
1 376 . 15 1 1 A 37 37 ARG CB C 37 32.735 32.070 0.665 1
1 385 . 15 1 1 A 37 37 ARG C C 37 175.793 176.046 -0.253 1
1 386 . 15 1 1 A 38 38 LYS N N 38 121.649 124.524 -2.875 1
1 387 . 15 1 1 A 38 38 LYS H H 38 7.938 8.753 -0.815 1
1 388 . 15 1 1 A 38 38 LYS CA C 38 58.880 58.291 0.589 1
1 389 . 15 1 1 A 38 38 LYS HA H 38 3.291 4.341 -1.050 1
1 390 . 15 1 1 A 38 38 LYS CB C 38 32.755 32.097 0.658 1
1 402 . 15 1 1 A 38 38 LYS C C 38 176.459 177.284 -0.825 1
1 403 . 15 1 1 A 39 39 GLY N N 39 114.431 114.887 -0.456 1
1 404 . 15 1 1 A 39 39 GLY H H 39 8.618 9.164 -0.546 1
1 405 . 15 1 1 A 39 39 GLY CA C 39 44.652 45.065 -0.413 1
1 406 . 15 1 1 A 39 39 GLY HA2 H 39 3.438 4.009 -0.571 1
1 407 . 15 1 1 A 39 39 GLY HA3 H 39 4.399 4.011 0.388 1
1 408 . 15 1 1 A 39 39 GLY C C 39 174.586 174.414 0.172 1
1 409 . 15 1 1 A 40 40 GLU N N 40 119.554 121.147 -1.593 1
1 410 . 15 1 1 A 40 40 GLU H H 40 7.931 8.131 -0.200 1
1 411 . 15 1 1 A 40 40 GLU CA C 40 59.197 57.334 1.863 1
1 412 . 15 1 1 A 40 40 GLU HA H 40 4.272 4.307 -0.035 1
1 413 . 15 1 1 A 40 40 GLU CB C 40 30.759 30.802 -0.043 1
1 419 . 15 1 1 A 40 40 GLU C C 40 175.278 175.223 0.055 1
1 420 . 15 1 1 A 41 41 HIS N N 41 121.677 119.488 2.189 1
1 421 . 15 1 1 A 41 41 HIS H H 41 8.837 8.977 -0.140 1
1 422 . 15 1 1 A 41 41 HIS CA C 41 56.432 54.401 2.031 1
1 423 . 15 1 1 A 41 41 HIS HA H 41 4.817 5.007 -0.190 1
1 424 . 15 1 1 A 41 41 HIS CB C 41 30.260 30.632 -0.372 1
1 431 . 15 1 1 A 41 41 HIS C C 41 174.622 174.316 0.306 1
1 432 . 15 1 1 A 42 42 ILE N N 42 123.889 124.821 -0.932 1
1 433 . 15 1 1 A 42 42 ILE H H 42 8.753 8.763 -0.010 1
1 434 . 15 1 1 A 42 42 ILE CA C 42 60.433 60.784 -0.351 1
1 435 . 15 1 1 A 42 42 ILE HA H 42 4.079 4.193 -0.114 1
1 436 . 15 1 1 A 42 42 ILE CB C 42 42.258 37.908 4.350 1
1 449 . 15 1 1 A 42 42 ILE C C 42 174.377 175.394 -1.017 1
1 450 . 15 1 1 A 43 43 CYS N N 43 127.431 126.754 0.677 1
1 451 . 15 1 1 A 43 43 CYS H H 43 8.877 8.569 0.308 1
1 452 . 15 1 1 A 43 43 CYS CA C 43 57.909 57.314 0.595 1
1 453 . 15 1 1 A 43 43 CYS HA H 43 4.654 4.986 -0.332 1
1 454 . 15 1 1 A 43 43 CYS CB C 43 26.650 28.932 -2.282 1
1 457 . 15 1 1 A 43 43 CYS C C 43 174.875 173.377 1.498 1
1 458 . 15 1 1 A 44 44 LEU N N 44 126.732 129.382 -2.650 1
1 459 . 15 1 1 A 44 44 LEU H H 44 7.724 8.395 -0.671 1
1 460 . 15 1 1 A 44 44 LEU CA C 44 53.741 54.683 -0.942 1
1 461 . 15 1 1 A 44 44 LEU HA H 44 4.546 4.444 0.102 1
1 462 . 15 1 1 A 44 44 LEU CB C 44 43.286 40.468 2.818 1
1 475 . 15 1 1 A 44 44 LEU C C 44 175.004 176.213 -1.209 1
1 476 . 15 1 1 A 45 45 ILE N N 45 125.519 126.883 -1.364 1
1 477 . 15 1 1 A 45 45 ILE H H 45 9.058 8.539 0.519 1
1 478 . 15 1 1 A 45 45 ILE CA C 45 63.488 63.825 -0.337 1
1 479 . 15 1 1 A 45 45 ILE HA H 45 4.121 3.191 0.930 1
1 480 . 15 1 1 A 45 45 ILE CB C 45 39.808 37.818 1.990 1
1 493 . 15 1 1 A 46 46 ARG N N 46 105.448 114.901 -9.453 1
1 494 . 15 1 1 A 46 46 ARG H H 46 7.377 7.486 -0.109 1
1 495 . 15 1 1 A 46 46 ARG CA C 46 54.848 54.787 0.061 1
1 496 . 15 1 1 A 46 46 ARG HA H 46 4.576 4.649 -0.073 1
1 497 . 15 1 1 A 46 46 ARG CB C 46 32.078 33.479 -1.401 1
1 508 . 15 1 1 A 46 46 ARG C C 46 174.353 174.672 -0.319 1
1 509 . 15 1 1 A 47 47 LYS N N 47 124.397 125.342 -0.945 1
1 510 . 15 1 1 A 47 47 LYS H H 47 9.254 8.677 0.577 1
1 511 . 15 1 1 A 47 47 LYS CA C 47 56.832 57.144 -0.312 1
1 512 . 15 1 1 A 47 47 LYS HA H 47 4.353 4.354 -0.001 1
1 513 . 15 1 1 A 47 47 LYS CB C 47 32.868 32.876 -0.008 1
1 525 . 15 1 1 A 47 47 LYS C C 47 176.540 177.038 -0.498 1
1 526 . 15 1 1 A 48 48 VAL N N 48 126.203 127.188 -0.985 1
1 527 . 15 1 1 A 48 48 VAL H H 48 8.289 8.774 -0.485 1
1 528 . 15 1 1 A 48 48 VAL CA C 48 63.966 63.783 0.183 1
1 529 . 15 1 1 A 48 48 VAL HA H 48 3.784 4.115 -0.331 1
1 530 . 15 1 1 A 48 48 VAL CB C 48 33.030 33.175 -0.145 1
1 540 . 15 1 1 A 48 48 VAL C C 48 175.547 175.312 0.235 1
1 541 . 15 1 1 A 49 49 ASN N N 49 115.717 116.911 -1.194 1
1 542 . 15 1 1 A 49 49 ASN H H 49 8.167 7.244 0.923 1
1 543 . 15 1 1 A 49 49 ASN CA C 49 52.768 51.974 0.794 1
1 544 . 15 1 1 A 49 49 ASN HA H 49 4.428 5.052 -0.624 1
1 545 . 15 1 1 A 49 49 ASN CB C 49 37.683 42.463 -4.780 1
1 551 . 15 1 1 A 49 49 ASN C C 49 174.537 175.302 -0.765 1
1 552 . 15 1 1 A 50 50 GLU N N 50 114.361 121.362 -7.001 1
1 553 . 15 1 1 A 50 50 GLU H H 50 8.781 8.958 -0.177 1
1 554 . 15 1 1 A 50 50 GLU CA C 50 59.835 58.444 1.391 1
1 555 . 15 1 1 A 50 50 GLU HA H 50 3.947 4.009 -0.062 1
1 556 . 15 1 1 A 50 50 GLU CB C 50 29.534 28.873 0.661 1
1 562 . 15 1 1 A 50 50 GLU C C 50 176.796 176.167 0.629 1
1 563 . 15 1 1 A 51 51 ASN N N 51 112.673 116.390 -3.717 1
1 564 . 15 1 1 A 51 51 ASN H H 51 8.535 7.683 0.852 1
1 565 . 15 1 1 A 51 51 ASN CA C 51 53.328 54.018 -0.690 1
1 566 . 15 1 1 A 51 51 ASN HA H 51 4.968 4.720 0.248 1
1 567 . 15 1 1 A 51 51 ASN CB C 51 41.171 40.974 0.197 1
1 573 . 15 1 1 A 51 51 ASN C C 51 174.756 174.996 -0.240 1
1 574 . 15 1 1 A 52 52 TRP N N 52 121.399 117.850 3.549 1
1 575 . 15 1 1 A 52 52 TRP H H 52 7.726 7.750 -0.024 1
1 576 . 15 1 1 A 52 52 TRP CA C 52 57.485 57.369 0.116 1
1 577 . 15 1 1 A 52 52 TRP HA H 52 5.072 4.749 0.323 1
1 578 . 15 1 1 A 52 52 TRP CB C 52 31.703 30.777 0.926 1
1 593 . 15 1 1 A 52 52 TRP C C 52 174.756 175.849 -1.093 1
1 594 . 15 1 1 A 53 53 TYR N N 53 118.564 119.573 -1.009 1
1 595 . 15 1 1 A 53 53 TYR H H 53 8.443 9.179 -0.736 1
1 596 . 15 1 1 A 53 53 TYR CA C 53 57.305 55.476 1.829 1
1 597 . 15 1 1 A 53 53 TYR HA H 53 4.978 4.938 0.040 1
1 598 . 15 1 1 A 53 53 TYR CB C 53 44.030 41.828 2.202 1
1 609 . 15 1 1 A 53 53 TYR C C 53 174.045 173.588 0.457 1
1 610 . 15 1 1 A 54 54 GLU N N 54 117.557 124.498 -6.941 1
1 611 . 15 1 1 A 54 54 GLU H H 54 8.906 8.947 -0.041 1
1 612 . 15 1 1 A 54 54 GLU CA C 54 54.986 55.297 -0.311 1
1 613 . 15 1 1 A 54 54 GLU HA H 54 5.059 4.852 0.207 1
1 614 . 15 1 1 A 54 54 GLU CB C 54 32.458 31.565 0.893 1
1 620 . 15 1 1 A 54 54 GLU C C 54 176.438 175.760 0.678 1
1 621 . 15 1 1 A 55 55 GLY N N 55 114.051 113.142 0.909 1
1 622 . 15 1 1 A 55 55 GLY H H 55 9.556 8.638 0.918 1
1 623 . 15 1 1 A 55 55 GLY CA C 55 45.816 45.391 0.425 1
1 624 . 15 1 1 A 55 55 GLY HA2 H 55 5.166 4.415 0.751 1
1 625 . 15 1 1 A 55 55 GLY HA3 H 55 3.929 4.618 -0.689 1
1 626 . 15 1 1 A 55 55 GLY C C 55 169.584 172.843 -3.259 1
1 627 . 15 1 1 A 56 56 ARG N N 56 116.523 118.274 -1.751 1
1 628 . 15 1 1 A 56 56 ARG H H 56 9.093 8.850 0.243 1
1 629 . 15 1 1 A 56 56 ARG CA C 56 53.977 54.257 -0.280 1
1 630 . 15 1 1 A 56 56 ARG HA H 56 5.528 5.266 0.262 1
1 631 . 15 1 1 A 56 56 ARG CB C 56 34.963 34.139 0.824 1
1 640 . 15 1 1 A 56 56 ARG C C 56 174.325 174.244 0.081 1
1 641 . 15 1 1 A 57 57 ILE N N 57 123.690 124.504 -0.814 1
1 642 . 15 1 1 A 57 57 ILE H H 57 8.230 8.907 -0.677 1
1 643 . 15 1 1 A 57 57 ILE CA C 57 59.706 60.396 -0.690 1
1 644 . 15 1 1 A 57 57 ILE HA H 57 4.585 4.609 -0.024 1
1 645 . 15 1 1 A 57 57 ILE CB C 57 35.623 37.318 -1.695 1
1 658 . 15 1 1 A 57 57 ILE C C 57 177.239 176.108 1.131 1
1 659 . 15 1 1 A 58 58 THR N N 58 112.797 120.065 -7.268 1
1 660 . 15 1 1 A 58 58 THR H H 58 8.805 8.126 0.679 1
1 661 . 15 1 1 A 58 58 THR CA C 58 65.598 66.472 -0.874 1
1 662 . 15 1 1 A 58 58 THR HA H 58 3.857 3.910 -0.053 1
1 663 . 15 1 1 A 58 58 THR CB C 58 68.553 68.683 -0.130 1
1 669 . 15 1 1 A 59 59 GLY CA C 59 45.463 47.215 -1.752 1
1 670 . 15 1 1 A 59 59 GLY HA2 H 59 3.834 3.850 -0.016 1
1 671 . 15 1 1 A 59 59 GLY HA3 H 59 4.266 3.854 0.412 1
1 672 . 15 1 1 A 59 59 GLY C C 59 174.543 175.892 -1.349 1
1 673 . 15 1 1 A 60 60 THR N N 60 108.632 111.551 -2.919 1
1 674 . 15 1 1 A 60 60 THR H H 60 7.779 8.172 -0.393 1
1 675 . 15 1 1 A 60 60 THR CA C 60 61.017 62.638 -1.621 1
1 676 . 15 1 1 A 60 60 THR HA H 60 4.892 4.505 0.387 1
1 677 . 15 1 1 A 60 60 THR CB C 60 72.426 70.876 1.550 1
1 683 . 15 1 1 A 60 60 THR C C 60 175.144 175.944 -0.800 1
1 684 . 15 1 1 A 61 61 GLY CA C 61 45.320 45.131 0.189 1
1 685 . 15 1 1 A 61 61 GLY HA2 H 61 3.930 4.068 -0.138 1
1 686 . 15 1 1 A 61 61 GLY HA3 H 61 4.183 4.073 0.110 1
1 687 . 15 1 1 A 61 61 GLY C C 61 174.641 173.903 0.738 1
1 688 . 15 1 1 A 62 62 ARG N N 62 121.575 119.377 2.198 1
1 689 . 15 1 1 A 62 62 ARG H H 62 8.229 7.463 0.766 1
1 690 . 15 1 1 A 62 62 ARG CA C 62 56.440 54.850 1.590 1
1 691 . 15 1 1 A 62 62 ARG HA H 62 4.380 4.761 -0.381 1
1 692 . 15 1 1 A 62 62 ARG CB C 62 30.667 32.538 -1.871 1
1 701 . 15 1 1 A 62 62 ARG C C 62 174.530 174.950 -0.420 1
1 702 . 15 1 1 A 63 63 GLN N N 63 124.206 120.688 3.518 1
1 703 . 15 1 1 A 63 63 GLN H H 63 8.473 8.672 -0.199 1
1 704 . 15 1 1 A 63 63 GLN CA C 63 54.768 55.386 -0.618 1
1 705 . 15 1 1 A 63 63 GLN HA H 63 5.449 4.975 0.474 1
1 706 . 15 1 1 A 63 63 GLN CB C 63 32.243 32.298 -0.055 1
1 715 . 15 1 1 A 63 63 GLN C C 63 174.555 174.757 -0.202 1
1 716 . 15 1 1 A 64 64 GLY N N 64 111.132 110.427 0.705 1
1 717 . 15 1 1 A 64 64 GLY H H 64 8.962 8.255 0.707 1
1 718 . 15 1 1 A 64 64 GLY CA C 64 45.780 46.206 -0.426 1
1 719 . 15 1 1 A 64 64 GLY HA2 H 64 4.498 4.197 0.301 1
1 720 . 15 1 1 A 64 64 GLY HA3 H 64 4.351 4.246 0.105 1
1 721 . 15 1 1 A 64 64 GLY C C 64 172.117 172.127 -0.010 1
1 722 . 15 1 1 A 65 65 ILE N N 65 114.051 116.759 -2.708 1
1 723 . 15 1 1 A 65 65 ILE H H 65 8.824 8.892 -0.068 1
1 724 . 15 1 1 A 65 65 ILE CA C 65 59.949 59.089 0.860 1
1 725 . 15 1 1 A 65 65 ILE HA H 65 6.195 5.154 1.041 1
1 726 . 15 1 1 A 65 65 ILE CB C 65 41.669 40.111 1.558 1
1 739 . 15 1 1 A 65 65 ILE C C 65 176.874 175.334 1.540 1
1 740 . 15 1 1 A 66 66 PHE N N 66 116.902 118.542 -1.640 1
1 741 . 15 1 1 A 66 66 PHE H H 66 8.770 8.492 0.278 1
1 742 . 15 1 1 A 66 66 PHE CA C 66 56.114 55.461 0.653 1
1 743 . 15 1 1 A 66 66 PHE HA H 66 4.952 4.974 -0.022 1
1 744 . 15 1 1 A 66 66 PHE CB C 66 38.504 39.611 -1.107 1
1 757 . 15 1 1 A 66 66 PHE C C 66 170.992 171.769 -0.777 1
1 758 . 15 1 1 A 67 67 PRO CA C 67 61.161 62.938 -1.777 1
1 759 . 15 1 1 A 67 67 PRO HA H 67 3.678 4.248 -0.570 1
1 760 . 15 1 1 A 67 67 PRO CB C 67 30.788 32.214 -1.426 1
1 769 . 15 1 1 A 67 67 PRO C C 67 177.819 177.236 0.583 1
1 770 . 15 1 1 A 68 68 ALA N N 68 126.195 127.224 -1.029 1
1 771 . 15 1 1 A 68 68 ALA H H 68 8.458 8.386 0.072 1
1 772 . 15 1 1 A 68 68 ALA CA C 68 54.676 54.280 0.396 1
1 773 . 15 1 1 A 68 68 ALA HA H 68 4.008 4.317 -0.309 1
1 774 . 15 1 1 A 68 68 ALA CB C 68 18.986 18.925 0.061 1
1 778 . 15 1 1 A 68 68 ALA C C 68 178.933 178.474 0.459 1
1 779 . 15 1 1 A 69 69 SER N N 69 110.156 112.408 -2.252 1
1 780 . 15 1 1 A 69 69 SER H H 69 8.370 7.935 0.435 1
1 781 . 15 1 1 A 69 69 SER CA C 69 60.250 58.810 1.440 1
1 782 . 15 1 1 A 69 69 SER HA H 69 4.265 4.483 -0.218 1
1 783 . 15 1 1 A 69 69 SER CB C 69 62.718 63.141 -0.423 1
1 786 . 15 1 1 A 69 69 SER C C 69 175.748 174.943 0.805 1
1 787 . 15 1 1 A 70 70 TYR N N 70 119.475 121.395 -1.920 1
1 788 . 15 1 1 A 70 70 TYR H H 70 7.728 7.989 -0.261 1
1 789 . 15 1 1 A 70 70 TYR CA C 70 60.061 59.084 0.977 1
1 790 . 15 1 1 A 70 70 TYR HA H 70 4.620 4.831 -0.211 1
1 791 . 15 1 1 A 70 70 TYR CB C 70 39.039 40.916 -1.877 1
1 802 . 15 1 1 A 70 70 TYR C C 70 176.140 175.950 0.190 1
1 803 . 15 1 1 A 71 71 VAL N N 71 110.320 113.943 -3.623 1
1 804 . 15 1 1 A 71 71 VAL H H 71 8.064 7.560 0.504 1
1 805 . 15 1 1 A 71 71 VAL CA C 71 58.737 59.269 -0.532 1
1 806 . 15 1 1 A 71 71 VAL HA H 71 5.073 4.804 0.269 1
1 807 . 15 1 1 A 71 71 VAL CB C 71 35.550 34.492 1.058 1
1 817 . 15 1 1 A 71 71 VAL C C 71 173.044 173.628 -0.584 1
1 818 . 15 1 1 A 72 72 GLN N N 72 119.621 121.786 -2.165 1
1 819 . 15 1 1 A 72 72 GLN H H 72 8.448 8.975 -0.527 1
1 820 . 15 1 1 A 72 72 GLN CA C 72 54.351 54.325 0.026 1
1 821 . 15 1 1 A 72 72 GLN HA H 72 4.724 4.831 -0.107 1
1 822 . 15 1 1 A 72 72 GLN CB C 72 30.373 31.521 -1.148 1
1 831 . 15 1 1 A 72 72 GLN C C 72 176.050 174.488 1.562 1
1 832 . 15 1 1 A 73 73 VAL N N 73 130.439 127.722 2.717 1
1 833 . 15 1 1 A 73 73 VAL H H 73 9.369 8.903 0.466 1
1 834 . 15 1 1 A 73 73 VAL CA C 73 63.957 62.439 1.518 1
1 835 . 15 1 1 A 73 73 VAL HA H 73 3.856 4.081 -0.225 1
1 836 . 15 1 1 A 73 73 VAL CB C 73 32.616 31.503 1.113 1
1 846 . 15 1 1 A 73 73 VAL C C 73 176.043 176.530 -0.487 1
1 847 . 15 1 1 A 74 74 SER N N 74 123.766 120.397 3.369 1
1 848 . 15 1 1 A 74 74 SER H H 74 8.708 8.886 -0.178 1
1 849 . 15 1 1 A 74 74 SER CA C 74 58.930 58.605 0.325 1
1 850 . 15 1 1 A 74 74 SER HA H 74 4.627 4.561 0.066 1
1 851 . 15 1 1 A 74 74 SER CB C 74 63.548 63.890 -0.342 1
1 854 . 15 1 1 A 74 74 SER C C 74 174.821 174.085 0.736 1
1 855 . 15 1 1 A 75 75 ARG N N 75 122.335 120.811 1.524 1
1 856 . 15 1 1 A 75 75 ARG H H 75 7.690 7.430 0.260 1
1 857 . 15 1 1 A 75 75 ARG CA C 75 56.185 55.071 1.114 1
1 858 . 15 1 1 A 75 75 ARG HA H 75 4.526 4.731 -0.205 1
1 859 . 15 1 1 A 75 75 ARG CB C 75 33.734 32.581 1.153 1
1 868 . 15 1 1 A 75 75 ARG C C 75 174.824 174.741 0.083 1
1 869 . 15 1 1 A 76 76 GLU N N 76 126.797 127.202 -0.405 1
1 870 . 15 1 1 A 76 76 GLU H H 76 8.916 8.591 0.325 1
1 871 . 15 1 1 A 76 76 GLU CA C 76 54.874 55.468 -0.594 1
1 872 . 15 1 1 A 76 76 GLU HA H 76 4.561 4.319 0.242 1
1 873 . 15 1 1 A 76 76 GLU CB C 76 28.925 29.073 -0.148 1
1 879 . 15 1 1 A 76 76 GLU C C 76 175.557 175.025 0.532 1
1 880 . 15 1 1 A 77 77 PRO CA C 77 62.726 62.924 -0.198 1
1 881 . 15 1 1 A 77 77 PRO HA H 77 4.584 4.769 -0.185 1
1 882 . 15 1 1 A 77 77 PRO CB C 77 32.153 31.875 0.278 1
1 891 . 15 1 1 A 78 78 ARG N N 78 120.959 122.811 -1.852 1
1 892 . 15 1 1 A 78 78 ARG H H 78 8.814 8.625 0.189 1
1 893 . 15 1 1 A 78 78 ARG CA C 78 55.491 55.270 0.221 1
1 894 . 15 1 1 A 78 78 ARG HA H 78 4.743 4.900 -0.157 1
1 895 . 15 1 1 A 78 78 ARG CB C 78 33.443 32.498 0.945 1
1 904 . 15 1 1 A 79 79 LEU N N 79 125.756 126.889 -1.133 1
1 905 . 15 1 1 A 79 79 LEU H H 79 8.789 9.041 -0.252 1
1 906 . 15 1 1 A 79 79 LEU CA C 79 54.346 56.068 -1.722 1
1 907 . 15 1 1 A 79 79 LEU HA H 79 5.007 4.506 0.501 1
1 908 . 15 1 1 A 79 79 LEU CB C 79 44.609 43.112 1.497 1
1 917 . 15 1 1 A 80 80 ARG N N 80 121.792 114.276 7.516 1
1 918 . 15 1 1 A 80 80 ARG H H 80 8.908 7.855 1.053 1
1 919 . 15 1 1 A 80 80 ARG CA C 80 54.966 55.268 -0.302 1
1 920 . 15 1 1 A 80 80 ARG HA H 80 4.611 4.557 0.054 1
1 921 . 15 1 1 A 80 80 ARG CB C 80 32.686 30.285 2.401 1
1 924 . 15 1 1 A 81 81 LEU N N 81 126.556 121.839 4.717 1
1 925 . 15 1 1 A 81 81 LEU H H 81 8.702 7.636 1.066 1
1 926 . 15 1 1 A 81 81 LEU CA C 81 55.199 54.058 1.141 1
1 927 . 15 1 1 A 81 81 LEU HA H 81 4.472 4.511 -0.039 1
1 928 . 15 1 1 A 81 81 LEU CB C 81 42.368 40.415 1.953 1
1 941 . 15 1 1 A 82 82 CYS N N 82 121.583 118.770 2.813 1
1 942 . 15 1 1 A 82 82 CYS H H 82 8.466 7.780 0.686 1
1 943 . 15 1 1 A 82 82 CYS CA C 82 58.583 57.980 0.603 1
1 944 . 15 1 1 A 82 82 CYS HA H 82 4.475 4.812 -0.337 1
1 945 . 15 1 1 A 82 82 CYS CB C 82 28.438 28.550 -0.112 1
1 948 . 15 1 1 A 83 83 ASP N N 83 122.639 125.496 -2.857 1
1 949 . 15 1 1 A 83 83 ASP H H 83 8.400 8.577 -0.177 1
1 950 . 15 1 1 A 83 83 ASP CA C 83 54.210 54.367 -0.157 1
1 951 . 15 1 1 A 83 83 ASP HA H 83 4.654 4.612 0.042 1
1 952 . 15 1 1 A 83 83 ASP CB C 83 41.291 41.514 -0.223 1
1 955 . 15 1 1 A 83 83 ASP C C 83 175.900 176.024 -0.124 1
1 956 . 15 1 1 A 84 84 ASP N N 84 121.113 128.200 -7.087 1
1 957 . 15 1 1 A 84 84 ASP H H 84 8.310 8.956 -0.646 1
1 958 . 15 1 1 A 84 84 ASP CA C 84 54.330 56.403 -2.073 1
1 959 . 15 1 1 A 84 84 ASP HA H 84 4.650 4.561 0.089 1
1 960 . 15 1 1 A 84 84 ASP CB C 84 41.283 41.357 -0.074 1
1 963 . 15 1 1 A 84 84 ASP C C 84 176.407 175.319 1.088 1
1 964 . 15 1 1 A 85 85 SER N N 85 116.212 110.900 5.312 1
1 965 . 15 1 1 A 85 85 SER H H 85 8.332 7.732 0.600 1
1 966 . 15 1 1 A 85 85 SER CA C 85 58.819 57.462 1.357 1
1 967 . 15 1 1 A 85 85 SER HA H 85 4.438 4.914 -0.476 1
1 968 . 15 1 1 A 85 85 SER CB C 85 63.961 67.948 -3.987 1
1 971 . 15 1 1 A 85 85 SER C C 85 174.867 173.175 1.692 1
1 972 . 15 1 1 A 86 86 GLY N N 86 110.652 109.085 1.567 1
1 973 . 15 1 1 A 86 86 GLY H H 86 8.251 8.334 -0.083 1
1 974 . 15 1 1 A 86 86 GLY CA C 86 44.758 45.616 -0.858 1
1 975 . 15 1 1 A 86 86 GLY HA2 H 86 4.109 4.138 -0.029 1
1 976 . 15 1 1 A 86 86 GLY HA3 H 86 4.109 4.138 -0.029 1
1 977 . 15 1 1 A 86 86 GLY C C 86 171.914 170.997 0.917 1
1 978 . 15 1 1 A 87 87 PRO CA C 87 63.192 62.696 0.496 1
1 979 . 15 1 1 A 87 87 PRO HA H 87 4.484 4.620 -0.136 1
1 980 . 15 1 1 A 87 87 PRO CB C 87 32.243 33.142 -0.899 1
1 989 . 15 1 1 A 87 87 PRO C C 87 177.470 175.179 2.291 1
1 990 . 15 1 1 A 88 88 SER N N 88 116.433 116.849 -0.416 1
1 991 . 15 1 1 A 88 88 SER H H 88 8.518 8.491 0.027 1
1 992 . 15 1 1 A 88 88 SER CA C 88 58.330 58.038 0.292 1
1 993 . 15 1 1 A 88 88 SER HA H 88 4.571 5.001 -0.430 1
1 994 . 15 1 1 A 88 88 SER CB C 88 63.896 65.011 -1.115 1
1 997 . 15 1 1 A 88 88 SER C C 88 174.747 173.514 1.233 1
1 998 . 15 1 1 A 89 89 SER N N 89 117.882 121.383 -3.501 1
1 999 . 15 1 1 A 89 89 SER H H 89 8.335 8.785 -0.450 1
1 1000 . 15 1 1 A 89 89 SER CA C 89 58.497 57.249 1.248 1
1 1001 . 15 1 1 A 89 89 SER CB C 89 64.209 66.117 -1.908 1
1 1004 . 15 1 1 A 89 89 SER C C 89 174.100 175.129 -1.029 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.146 47.441 -2.295 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.966 3.874 0.092 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.966 3.876 0.090 1
1 4 . 16 1 1 A 7 7 GLY C C 7 173.687 173.456 0.231 1
1 5 . 16 1 1 A 8 8 LYS N N 8 122.140 123.802 -1.662 1
1 6 . 16 1 1 A 8 8 LYS H H 8 8.107 8.419 -0.312 1
1 7 . 16 1 1 A 8 8 LYS CA C 8 54.053 53.110 0.943 1
1 8 . 16 1 1 A 8 8 LYS HA H 8 4.620 4.843 -0.223 1
1 9 . 16 1 1 A 8 8 LYS CB C 8 32.649 33.380 -0.731 1
1 21 . 16 1 1 A 8 8 LYS C C 8 174.270 174.003 0.267 1
1 22 . 16 1 1 A 9 9 PRO CA C 9 61.632 61.603 0.029 1
1 23 . 16 1 1 A 9 9 PRO HA H 9 4.687 4.648 0.039 1
1 24 . 16 1 1 A 9 9 PRO CB C 9 30.855 31.591 -0.736 1
1 33 . 16 1 1 A 10 10 PRO CA C 10 62.942 62.695 0.247 1
1 34 . 16 1 1 A 10 10 PRO HA H 10 4.473 4.672 -0.199 1
1 35 . 16 1 1 A 10 10 PRO CB C 10 32.197 32.070 0.127 1
1 44 . 16 1 1 A 11 11 THR N N 11 128.434 117.502 10.932 1
1 45 . 16 1 1 A 11 11 THR H H 11 8.172 8.839 -0.667 1
1 46 . 16 1 1 A 11 11 THR CA C 11 61.644 63.623 -1.979 1
1 47 . 16 1 1 A 11 11 THR HA H 11 4.357 4.579 -0.222 1
1 48 . 16 1 1 A 11 11 THR CB C 11 70.204 71.695 -1.491 1
1 54 . 16 1 1 A 12 12 TYR N N 12 120.312 114.955 5.357 1
1 55 . 16 1 1 A 12 12 TYR H H 12 8.033 8.165 -0.132 1
1 56 . 16 1 1 A 12 12 TYR CA C 12 56.633 56.015 0.618 1
1 57 . 16 1 1 A 12 12 TYR HA H 12 4.967 4.936 0.031 1
1 58 . 16 1 1 A 12 12 TYR CB C 12 40.403 41.008 -0.605 1
1 69 . 16 1 1 A 13 13 GLN H H 13 8.634 8.651 -0.017 1
1 70 . 16 1 1 A 13 13 GLN CA C 13 54.519 55.196 -0.677 1
1 71 . 16 1 1 A 13 13 GLN HA H 13 4.626 4.289 0.337 1
1 72 . 16 1 1 A 13 13 GLN CB C 13 31.183 27.483 3.700 1
1 81 . 16 1 1 A 14 14 VAL N N 14 124.270 116.947 7.323 1
1 82 . 16 1 1 A 14 14 VAL H H 14 8.773 7.348 1.425 1
1 83 . 16 1 1 A 14 14 VAL CA C 14 62.977 63.297 -0.320 1
1 84 . 16 1 1 A 14 14 VAL HA H 14 4.018 4.194 -0.176 1
1 85 . 16 1 1 A 14 14 VAL CB C 14 32.909 29.671 3.238 1
1 95 . 16 1 1 A 15 15 LEU N N 15 128.403 123.290 5.113 1
1 96 . 16 1 1 A 15 15 LEU H H 15 8.726 8.112 0.614 1
1 97 . 16 1 1 A 15 15 LEU CA C 15 55.620 56.733 -1.113 1
1 98 . 16 1 1 A 15 15 LEU HA H 15 4.412 4.211 0.201 1
1 99 . 16 1 1 A 15 15 LEU CB C 15 42.580 41.311 1.269 1
1 112 . 16 1 1 A 16 16 GLU H H 16 8.687 8.031 0.656 1
1 113 . 16 1 1 A 16 16 GLU CA C 16 55.492 59.049 -3.557 1
1 114 . 16 1 1 A 16 16 GLU HA H 16 4.401 4.218 0.183 1
1 115 . 16 1 1 A 16 16 GLU CB C 16 32.409 29.994 2.415 1
1 120 . 16 1 1 A 17 17 TYR N N 17 124.726 117.628 7.098 1
1 121 . 16 1 1 A 17 17 TYR H H 17 8.505 8.197 0.308 1
1 122 . 16 1 1 A 17 17 TYR CA C 17 58.490 57.083 1.407 1
1 123 . 16 1 1 A 17 17 TYR HA H 17 4.598 4.617 -0.019 1
1 124 . 16 1 1 A 17 17 TYR CB C 17 38.814 39.905 -1.091 1
1 135 . 16 1 1 A 18 18 GLY N N 18 106.652 110.717 -4.065 1
1 136 . 16 1 1 A 18 18 GLY H H 18 9.176 8.556 0.620 1
1 137 . 16 1 1 A 18 18 GLY CA C 18 43.947 44.390 -0.443 1
1 138 . 16 1 1 A 18 18 GLY HA2 H 18 3.646 4.144 -0.498 1
1 139 . 16 1 1 A 18 18 GLY HA3 H 18 4.287 4.154 0.133 1
1 140 . 16 1 1 A 19 19 GLU N N 19 122.571 120.640 1.931 1
1 141 . 16 1 1 A 19 19 GLU H H 19 9.450 8.259 1.191 1
1 142 . 16 1 1 A 19 19 GLU CA C 19 56.496 54.981 1.515 1
1 143 . 16 1 1 A 19 19 GLU HA H 19 5.218 5.218 0.000 1
1 144 . 16 1 1 A 19 19 GLU CB C 19 34.419 33.260 1.159 1
1 149 . 16 1 1 A 19 19 GLU C C 19 173.496 175.269 -1.773 1
1 150 . 16 1 1 A 20 20 ALA N N 20 125.442 127.480 -2.038 1
1 151 . 16 1 1 A 20 20 ALA H H 20 8.813 8.755 0.058 1
1 152 . 16 1 1 A 20 20 ALA CA C 20 50.154 50.946 -0.792 1
1 153 . 16 1 1 A 20 20 ALA HA H 20 5.132 5.206 -0.074 1
1 154 . 16 1 1 A 20 20 ALA CB C 20 24.742 24.217 0.525 1
1 158 . 16 1 1 A 20 20 ALA C C 20 174.555 174.911 -0.356 1
1 159 . 16 1 1 A 21 21 VAL N N 21 117.729 119.059 -1.330 1
1 160 . 16 1 1 A 21 21 VAL H H 21 8.118 8.635 -0.517 1
1 161 . 16 1 1 A 21 21 VAL CA C 21 60.211 60.191 0.020 1
1 162 . 16 1 1 A 21 21 VAL HA H 21 4.478 4.390 0.088 1
1 163 . 16 1 1 A 21 21 VAL CB C 21 34.751 35.449 -0.698 1
1 173 . 16 1 1 A 21 21 VAL C C 21 176.351 174.846 1.505 1
1 174 . 16 1 1 A 22 22 ALA N N 22 130.024 128.824 1.200 1
1 175 . 16 1 1 A 22 22 ALA H H 22 8.689 8.195 0.494 1
1 176 . 16 1 1 A 22 22 ALA CA C 22 53.496 52.614 0.882 1
1 177 . 16 1 1 A 22 22 ALA HA H 22 4.170 4.149 0.021 1
1 178 . 16 1 1 A 22 22 ALA CB C 22 20.793 18.614 2.179 1
1 182 . 16 1 1 A 22 22 ALA C C 22 178.156 176.527 1.629 1
1 183 . 16 1 1 A 23 23 GLN N N 23 126.904 122.544 4.360 1
1 184 . 16 1 1 A 23 23 GLN H H 23 9.442 8.519 0.923 1
1 185 . 16 1 1 A 23 23 GLN CA C 23 55.611 57.096 -1.485 1
1 186 . 16 1 1 A 23 23 GLN HA H 23 4.202 4.373 -0.171 1
1 187 . 16 1 1 A 23 23 GLN CB C 23 30.345 30.151 0.194 1
1 196 . 16 1 1 A 23 23 GLN C C 23 173.200 175.561 -2.361 1
1 197 . 16 1 1 A 24 24 TYR N N 24 115.157 115.892 -0.735 1
1 198 . 16 1 1 A 24 24 TYR H H 24 7.696 7.542 0.154 1
1 199 . 16 1 1 A 24 24 TYR CA C 24 55.303 56.850 -1.547 1
1 200 . 16 1 1 A 24 24 TYR HA H 24 4.847 5.304 -0.457 1
1 201 . 16 1 1 A 24 24 TYR CB C 24 43.087 42.157 0.930 1
1 212 . 16 1 1 A 24 24 TYR C C 24 173.829 175.967 -2.138 1
1 213 . 16 1 1 A 25 25 THR N N 25 118.997 119.140 -0.143 1
1 214 . 16 1 1 A 25 25 THR H H 25 8.697 8.977 -0.280 1
1 215 . 16 1 1 A 25 25 THR CA C 25 63.201 63.654 -0.453 1
1 216 . 16 1 1 A 25 25 THR HA H 25 4.483 4.453 0.030 1
1 217 . 16 1 1 A 25 25 THR CB C 25 70.228 69.327 0.901 1
1 223 . 16 1 1 A 25 25 THR C C 25 173.214 173.990 -0.776 1
1 224 . 16 1 1 A 26 26 PHE N N 26 129.691 126.566 3.125 1
1 225 . 16 1 1 A 26 26 PHE H H 26 8.460 8.127 0.333 1
1 226 . 16 1 1 A 26 26 PHE CA C 26 55.887 56.645 -0.758 1
1 227 . 16 1 1 A 26 26 PHE HA H 26 4.631 5.191 -0.560 1
1 228 . 16 1 1 A 26 26 PHE CB C 26 42.134 42.065 0.069 1
1 241 . 16 1 1 A 26 26 PHE C C 26 173.089 173.811 -0.722 1
1 242 . 16 1 1 A 27 27 LYS N N 27 129.755 125.986 3.769 1
1 243 . 16 1 1 A 27 27 LYS H H 27 7.879 7.817 0.062 1
1 244 . 16 1 1 A 27 27 LYS CA C 27 54.562 54.355 0.207 1
1 245 . 16 1 1 A 27 27 LYS HA H 27 4.023 5.020 -0.997 1
1 246 . 16 1 1 A 27 27 LYS CB C 27 32.490 35.763 -3.273 1
1 258 . 16 1 1 A 27 27 LYS C C 27 174.852 174.691 0.161 1
1 259 . 16 1 1 A 28 28 GLY N N 28 113.171 112.482 0.689 1
1 260 . 16 1 1 A 28 28 GLY H H 28 7.726 8.260 -0.534 1
1 261 . 16 1 1 A 28 28 GLY CA C 28 45.922 44.558 1.364 1
1 262 . 16 1 1 A 28 28 GLY HA2 H 28 3.151 4.336 -1.185 1
1 263 . 16 1 1 A 28 28 GLY HA3 H 28 3.619 4.435 -0.816 1
1 264 . 16 1 1 A 28 28 GLY C C 28 173.250 173.374 -0.124 1
1 265 . 16 1 1 A 29 29 ASP N N 29 121.578 122.436 -0.858 1
1 266 . 16 1 1 A 29 29 ASP H H 29 8.743 8.726 0.017 1
1 267 . 16 1 1 A 29 29 ASP CA C 29 55.162 53.823 1.339 1
1 268 . 16 1 1 A 29 29 ASP HA H 29 4.616 4.768 -0.152 1
1 269 . 16 1 1 A 29 29 ASP CB C 29 42.815 42.870 -0.055 1
1 272 . 16 1 1 A 29 29 ASP C C 29 176.583 176.036 0.547 1
1 273 . 16 1 1 A 30 30 LEU N N 30 119.139 121.911 -2.772 1
1 274 . 16 1 1 A 30 30 LEU H H 30 8.069 7.618 0.451 1
1 275 . 16 1 1 A 30 30 LEU CA C 30 54.174 54.294 -0.120 1
1 276 . 16 1 1 A 30 30 LEU HA H 30 4.585 4.361 0.224 1
1 277 . 16 1 1 A 30 30 LEU CB C 30 44.109 41.918 2.191 1
1 290 . 16 1 1 A 30 30 LEU C C 30 179.241 178.287 0.954 1
1 291 . 16 1 1 A 31 31 GLU N N 31 122.182 122.700 -0.518 1
1 292 . 16 1 1 A 31 31 GLU H H 31 8.905 8.980 -0.075 1
1 293 . 16 1 1 A 31 31 GLU CA C 31 59.392 58.847 0.545 1
1 294 . 16 1 1 A 31 31 GLU HA H 31 4.151 4.010 0.141 1
1 295 . 16 1 1 A 31 31 GLU CB C 31 29.605 29.748 -0.143 1
1 301 . 16 1 1 A 31 31 GLU C C 31 177.520 178.327 -0.807 1
1 302 . 16 1 1 A 32 32 VAL N N 32 108.281 118.097 -9.816 1
1 303 . 16 1 1 A 32 32 VAL H H 32 7.186 7.930 -0.744 1
1 304 . 16 1 1 A 32 32 VAL CA C 32 61.950 65.317 -3.367 1
1 305 . 16 1 1 A 32 32 VAL HA H 32 4.365 3.863 0.502 1
1 306 . 16 1 1 A 32 32 VAL CB C 32 32.222 31.396 0.826 1
1 316 . 16 1 1 A 32 32 VAL C C 32 176.602 176.701 -0.099 1
1 317 . 16 1 1 A 33 33 GLU N N 33 120.835 123.067 -2.232 1
1 318 . 16 1 1 A 33 33 GLU H H 33 7.751 7.957 -0.206 1
1 319 . 16 1 1 A 33 33 GLU CA C 33 55.560 56.942 -1.382 1
1 320 . 16 1 1 A 33 33 GLU HA H 33 5.106 4.570 0.536 1
1 321 . 16 1 1 A 33 33 GLU CB C 33 31.354 30.627 0.727 1
1 327 . 16 1 1 A 33 33 GLU C C 33 176.180 175.782 0.398 1
1 328 . 16 1 1 A 34 34 LEU N N 34 126.568 128.599 -2.031 1
1 329 . 16 1 1 A 34 34 LEU H H 34 9.073 9.302 -0.229 1
1 330 . 16 1 1 A 34 34 LEU CA C 34 53.385 53.792 -0.407 1
1 331 . 16 1 1 A 34 34 LEU HA H 34 4.481 5.225 -0.744 1
1 332 . 16 1 1 A 34 34 LEU CB C 34 44.305 45.328 -1.023 1
1 345 . 16 1 1 A 34 34 LEU C C 34 173.373 175.573 -2.200 1
1 346 . 16 1 1 A 35 35 SER N N 35 116.987 124.531 -7.544 1
1 347 . 16 1 1 A 35 35 SER H H 35 7.561 8.771 -1.210 1
1 348 . 16 1 1 A 35 35 SER CA C 35 58.335 57.995 0.340 1
1 349 . 16 1 1 A 35 35 SER HA H 35 4.569 4.800 -0.231 1
1 350 . 16 1 1 A 35 35 SER CB C 35 64.536 64.485 0.051 1
1 353 . 16 1 1 A 35 35 SER C C 35 174.513 173.348 1.165 1
1 354 . 16 1 1 A 36 36 PHE N N 36 117.028 118.583 -1.555 1
1 355 . 16 1 1 A 36 36 PHE H H 36 8.339 8.322 0.017 1
1 356 . 16 1 1 A 36 36 PHE CA C 36 55.938 56.131 -0.193 1
1 357 . 16 1 1 A 36 36 PHE HA H 36 4.647 5.181 -0.534 1
1 358 . 16 1 1 A 36 36 PHE CB C 36 39.959 40.635 -0.676 1
1 371 . 16 1 1 A 36 36 PHE C C 36 174.055 172.218 1.837 1
1 372 . 16 1 1 A 37 37 ARG N N 37 120.296 119.898 0.398 1
1 373 . 16 1 1 A 37 37 ARG H H 37 9.859 8.656 1.203 1
1 374 . 16 1 1 A 37 37 ARG CA C 37 53.915 55.205 -1.290 1
1 375 . 16 1 1 A 37 37 ARG HA H 37 4.929 4.806 0.123 1
1 376 . 16 1 1 A 37 37 ARG CB C 37 32.735 31.800 0.935 1
1 385 . 16 1 1 A 37 37 ARG C C 37 175.793 176.110 -0.317 1
1 386 . 16 1 1 A 38 38 LYS N N 38 121.649 125.198 -3.549 1
1 387 . 16 1 1 A 38 38 LYS H H 38 7.938 8.741 -0.803 1
1 388 . 16 1 1 A 38 38 LYS CA C 38 58.880 58.351 0.529 1
1 389 . 16 1 1 A 38 38 LYS HA H 38 3.291 4.004 -0.713 1
1 390 . 16 1 1 A 38 38 LYS CB C 38 32.755 32.078 0.677 1
1 402 . 16 1 1 A 38 38 LYS C C 38 176.459 177.355 -0.896 1
1 403 . 16 1 1 A 39 39 GLY N N 39 114.431 115.027 -0.596 1
1 404 . 16 1 1 A 39 39 GLY H H 39 8.618 8.837 -0.219 1
1 405 . 16 1 1 A 39 39 GLY CA C 39 44.652 45.063 -0.411 1
1 406 . 16 1 1 A 39 39 GLY HA2 H 39 3.438 3.994 -0.556 1
1 407 . 16 1 1 A 39 39 GLY HA3 H 39 4.399 4.006 0.393 1
1 408 . 16 1 1 A 39 39 GLY C C 39 174.586 174.397 0.189 1
1 409 . 16 1 1 A 40 40 GLU N N 40 119.554 121.352 -1.798 1
1 410 . 16 1 1 A 40 40 GLU H H 40 7.931 8.270 -0.339 1
1 411 . 16 1 1 A 40 40 GLU CA C 40 59.197 57.166 2.031 1
1 412 . 16 1 1 A 40 40 GLU HA H 40 4.272 4.355 -0.083 1
1 413 . 16 1 1 A 40 40 GLU CB C 40 30.759 30.723 0.036 1
1 419 . 16 1 1 A 40 40 GLU C C 40 175.278 175.418 -0.140 1
1 420 . 16 1 1 A 41 41 HIS N N 41 121.677 120.201 1.476 1
1 421 . 16 1 1 A 41 41 HIS H H 41 8.837 9.099 -0.262 1
1 422 . 16 1 1 A 41 41 HIS CA C 41 56.432 54.715 1.717 1
1 423 . 16 1 1 A 41 41 HIS HA H 41 4.817 5.088 -0.271 1
1 424 . 16 1 1 A 41 41 HIS CB C 41 30.260 31.127 -0.867 1
1 431 . 16 1 1 A 41 41 HIS C C 41 174.622 173.907 0.715 1
1 432 . 16 1 1 A 42 42 ILE N N 42 123.889 124.244 -0.355 1
1 433 . 16 1 1 A 42 42 ILE H H 42 8.753 9.008 -0.255 1
1 434 . 16 1 1 A 42 42 ILE CA C 42 60.433 59.988 0.445 1
1 435 . 16 1 1 A 42 42 ILE HA H 42 4.079 4.432 -0.353 1
1 436 . 16 1 1 A 42 42 ILE CB C 42 42.258 39.254 3.004 1
1 449 . 16 1 1 A 42 42 ILE C C 42 174.377 174.716 -0.339 1
1 450 . 16 1 1 A 43 43 CYS N N 43 127.431 127.480 -0.049 1
1 451 . 16 1 1 A 43 43 CYS H H 43 8.877 8.970 -0.093 1
1 452 . 16 1 1 A 43 43 CYS CA C 43 57.909 58.474 -0.565 1
1 453 . 16 1 1 A 43 43 CYS HA H 43 4.654 4.868 -0.214 1
1 454 . 16 1 1 A 43 43 CYS CB C 43 26.650 29.095 -2.445 1
1 457 . 16 1 1 A 43 43 CYS C C 43 174.875 173.834 1.041 1
1 458 . 16 1 1 A 44 44 LEU N N 44 126.732 128.061 -1.329 1
1 459 . 16 1 1 A 44 44 LEU H H 44 7.724 8.447 -0.723 1
1 460 . 16 1 1 A 44 44 LEU CA C 44 53.741 54.553 -0.812 1
1 461 . 16 1 1 A 44 44 LEU HA H 44 4.546 4.514 0.032 1
1 462 . 16 1 1 A 44 44 LEU CB C 44 43.286 41.036 2.250 1
1 475 . 16 1 1 A 44 44 LEU C C 44 175.004 176.317 -1.313 1
1 476 . 16 1 1 A 45 45 ILE N N 45 125.519 127.247 -1.728 1
1 477 . 16 1 1 A 45 45 ILE H H 45 9.058 8.651 0.407 1
1 478 . 16 1 1 A 45 45 ILE CA C 45 63.488 64.111 -0.623 1
1 479 . 16 1 1 A 45 45 ILE HA H 45 4.121 4.190 -0.069 1
1 480 . 16 1 1 A 45 45 ILE CB C 45 39.808 38.496 1.312 1
1 493 . 16 1 1 A 46 46 ARG N N 46 105.448 120.030 -14.582 1
1 494 . 16 1 1 A 46 46 ARG H H 46 7.377 7.378 -0.001 1
1 495 . 16 1 1 A 46 46 ARG CA C 46 54.848 54.693 0.155 1
1 496 . 16 1 1 A 46 46 ARG HA H 46 4.576 4.816 -0.240 1
1 497 . 16 1 1 A 46 46 ARG CB C 46 32.078 34.916 -2.838 1
1 508 . 16 1 1 A 46 46 ARG C C 46 174.353 173.990 0.363 1
1 509 . 16 1 1 A 47 47 LYS N N 47 124.397 123.330 1.067 1
1 510 . 16 1 1 A 47 47 LYS H H 47 9.254 8.641 0.613 1
1 511 . 16 1 1 A 47 47 LYS CA C 47 56.832 55.794 1.038 1
1 512 . 16 1 1 A 47 47 LYS HA H 47 4.353 4.340 0.013 1
1 513 . 16 1 1 A 47 47 LYS CB C 47 32.868 32.007 0.861 1
1 525 . 16 1 1 A 47 47 LYS C C 47 176.540 175.966 0.574 1
1 526 . 16 1 1 A 48 48 VAL N N 48 126.203 126.960 -0.757 1
1 527 . 16 1 1 A 48 48 VAL H H 48 8.289 8.410 -0.121 1
1 528 . 16 1 1 A 48 48 VAL CA C 48 63.966 65.161 -1.195 1
1 529 . 16 1 1 A 48 48 VAL HA H 48 3.784 3.808 -0.024 1
1 530 . 16 1 1 A 48 48 VAL CB C 48 33.030 32.021 1.009 1
1 540 . 16 1 1 A 48 48 VAL C C 48 175.547 175.147 0.400 1
1 541 . 16 1 1 A 49 49 ASN N N 49 115.717 116.278 -0.561 1
1 542 . 16 1 1 A 49 49 ASN H H 49 8.167 7.343 0.824 1
1 543 . 16 1 1 A 49 49 ASN CA C 49 52.768 51.607 1.161 1
1 544 . 16 1 1 A 49 49 ASN HA H 49 4.428 5.117 -0.689 1
1 545 . 16 1 1 A 49 49 ASN CB C 49 37.683 42.662 -4.979 1
1 551 . 16 1 1 A 49 49 ASN C C 49 174.537 175.386 -0.849 1
1 552 . 16 1 1 A 50 50 GLU N N 50 114.361 120.444 -6.083 1
1 553 . 16 1 1 A 50 50 GLU H H 50 8.781 9.174 -0.393 1
1 554 . 16 1 1 A 50 50 GLU CA C 50 59.835 58.012 1.823 1
1 555 . 16 1 1 A 50 50 GLU HA H 50 3.947 4.021 -0.074 1
1 556 . 16 1 1 A 50 50 GLU CB C 50 29.534 28.532 1.002 1
1 562 . 16 1 1 A 50 50 GLU C C 50 176.796 175.729 1.067 1
1 563 . 16 1 1 A 51 51 ASN N N 51 112.673 116.208 -3.535 1
1 564 . 16 1 1 A 51 51 ASN H H 51 8.535 7.818 0.717 1
1 565 . 16 1 1 A 51 51 ASN CA C 51 53.328 54.060 -0.732 1
1 566 . 16 1 1 A 51 51 ASN HA H 51 4.968 4.813 0.155 1
1 567 . 16 1 1 A 51 51 ASN CB C 51 41.171 41.569 -0.398 1
1 573 . 16 1 1 A 51 51 ASN C C 51 174.756 174.712 0.044 1
1 574 . 16 1 1 A 52 52 TRP N N 52 121.399 117.841 3.558 1
1 575 . 16 1 1 A 52 52 TRP H H 52 7.726 7.761 -0.035 1
1 576 . 16 1 1 A 52 52 TRP CA C 52 57.485 55.658 1.827 1
1 577 . 16 1 1 A 52 52 TRP HA H 52 5.072 5.343 -0.271 1
1 578 . 16 1 1 A 52 52 TRP CB C 52 31.703 31.689 0.014 1
1 593 . 16 1 1 A 52 52 TRP C C 52 174.756 174.785 -0.029 1
1 594 . 16 1 1 A 53 53 TYR N N 53 118.564 119.653 -1.089 1
1 595 . 16 1 1 A 53 53 TYR H H 53 8.443 9.143 -0.700 1
1 596 . 16 1 1 A 53 53 TYR CA C 53 57.305 55.422 1.883 1
1 597 . 16 1 1 A 53 53 TYR HA H 53 4.978 5.034 -0.056 1
1 598 . 16 1 1 A 53 53 TYR CB C 53 44.030 41.568 2.462 1
1 609 . 16 1 1 A 53 53 TYR C C 53 174.045 173.986 0.059 1
1 610 . 16 1 1 A 54 54 GLU N N 54 117.557 124.218 -6.661 1
1 611 . 16 1 1 A 54 54 GLU H H 54 8.906 8.549 0.357 1
1 612 . 16 1 1 A 54 54 GLU CA C 54 54.986 55.622 -0.636 1
1 613 . 16 1 1 A 54 54 GLU HA H 54 5.059 4.558 0.501 1
1 614 . 16 1 1 A 54 54 GLU CB C 54 32.458 30.667 1.791 1
1 620 . 16 1 1 A 54 54 GLU C C 54 176.438 176.138 0.300 1
1 621 . 16 1 1 A 55 55 GLY N N 55 114.051 113.722 0.329 1
1 622 . 16 1 1 A 55 55 GLY H H 55 9.556 8.863 0.693 1
1 623 . 16 1 1 A 55 55 GLY CA C 55 45.816 44.808 1.008 1
1 624 . 16 1 1 A 55 55 GLY HA2 H 55 5.166 4.331 0.835 1
1 625 . 16 1 1 A 55 55 GLY HA3 H 55 3.929 4.607 -0.678 1
1 626 . 16 1 1 A 55 55 GLY C C 55 169.584 173.373 -3.789 1
1 627 . 16 1 1 A 56 56 ARG N N 56 116.523 118.804 -2.281 1
1 628 . 16 1 1 A 56 56 ARG H H 56 9.093 8.988 0.105 1
1 629 . 16 1 1 A 56 56 ARG CA C 56 53.977 54.523 -0.546 1
1 630 . 16 1 1 A 56 56 ARG HA H 56 5.528 5.259 0.269 1
1 631 . 16 1 1 A 56 56 ARG CB C 56 34.963 34.268 0.695 1
1 640 . 16 1 1 A 56 56 ARG C C 56 174.325 173.849 0.476 1
1 641 . 16 1 1 A 57 57 ILE N N 57 123.690 122.246 1.444 1
1 642 . 16 1 1 A 57 57 ILE H H 57 8.230 8.395 -0.165 1
1 643 . 16 1 1 A 57 57 ILE CA C 57 59.706 60.504 -0.798 1
1 644 . 16 1 1 A 57 57 ILE HA H 57 4.585 4.673 -0.088 1
1 645 . 16 1 1 A 57 57 ILE CB C 57 35.623 39.007 -3.384 1
1 658 . 16 1 1 A 57 57 ILE C C 57 177.239 174.724 2.515 1
1 659 . 16 1 1 A 58 58 THR N N 58 112.797 123.696 -10.899 1
1 660 . 16 1 1 A 58 58 THR H H 58 8.805 8.860 -0.055 1
1 661 . 16 1 1 A 58 58 THR CA C 58 65.598 62.081 3.517 1
1 662 . 16 1 1 A 58 58 THR HA H 58 3.857 4.451 -0.594 1
1 663 . 16 1 1 A 58 58 THR CB C 58 68.553 68.389 0.164 1
1 669 . 16 1 1 A 59 59 GLY CA C 59 45.463 45.483 -0.020 1
1 670 . 16 1 1 A 59 59 GLY HA2 H 59 3.834 4.022 -0.188 1
1 671 . 16 1 1 A 59 59 GLY HA3 H 59 4.266 4.025 0.241 1
1 672 . 16 1 1 A 59 59 GLY C C 59 174.543 174.695 -0.152 1
1 673 . 16 1 1 A 60 60 THR N N 60 108.632 110.837 -2.205 1
1 674 . 16 1 1 A 60 60 THR H H 60 7.779 7.664 0.115 1
1 675 . 16 1 1 A 60 60 THR CA C 60 61.017 61.925 -0.908 1
1 676 . 16 1 1 A 60 60 THR HA H 60 4.892 4.576 0.316 1
1 677 . 16 1 1 A 60 60 THR CB C 60 72.426 70.510 1.916 1
1 683 . 16 1 1 A 60 60 THR C C 60 175.144 175.487 -0.343 1
1 684 . 16 1 1 A 61 61 GLY CA C 61 45.320 45.961 -0.641 1
1 685 . 16 1 1 A 61 61 GLY HA2 H 61 3.930 3.977 -0.047 1
1 686 . 16 1 1 A 61 61 GLY HA3 H 61 4.183 3.980 0.203 1
1 687 . 16 1 1 A 61 61 GLY C C 61 174.641 173.993 0.648 1
1 688 . 16 1 1 A 62 62 ARG N N 62 121.575 117.386 4.189 1
1 689 . 16 1 1 A 62 62 ARG H H 62 8.229 7.360 0.869 1
1 690 . 16 1 1 A 62 62 ARG CA C 62 56.440 55.469 0.971 1
1 691 . 16 1 1 A 62 62 ARG HA H 62 4.380 4.754 -0.374 1
1 692 . 16 1 1 A 62 62 ARG CB C 62 30.667 31.897 -1.230 1
1 701 . 16 1 1 A 62 62 ARG C C 62 174.530 175.096 -0.566 1
1 702 . 16 1 1 A 63 63 GLN N N 63 124.206 122.978 1.228 1
1 703 . 16 1 1 A 63 63 GLN H H 63 8.473 8.760 -0.287 1
1 704 . 16 1 1 A 63 63 GLN CA C 63 54.768 54.603 0.165 1
1 705 . 16 1 1 A 63 63 GLN HA H 63 5.449 5.051 0.398 1
1 706 . 16 1 1 A 63 63 GLN CB C 63 32.243 31.146 1.097 1
1 715 . 16 1 1 A 63 63 GLN C C 63 174.555 174.991 -0.436 1
1 716 . 16 1 1 A 64 64 GLY N N 64 111.132 107.946 3.186 1
1 717 . 16 1 1 A 64 64 GLY H H 64 8.962 8.035 0.927 1
1 718 . 16 1 1 A 64 64 GLY CA C 64 45.780 44.369 1.411 1
1 719 . 16 1 1 A 64 64 GLY HA2 H 64 4.498 4.234 0.264 1
1 720 . 16 1 1 A 64 64 GLY HA3 H 64 4.351 4.290 0.061 1
1 721 . 16 1 1 A 64 64 GLY C C 64 172.117 172.749 -0.632 1
1 722 . 16 1 1 A 65 65 ILE N N 65 114.051 116.090 -2.039 1
1 723 . 16 1 1 A 65 65 ILE H H 65 8.824 8.657 0.167 1
1 724 . 16 1 1 A 65 65 ILE CA C 65 59.949 59.012 0.937 1
1 725 . 16 1 1 A 65 65 ILE HA H 65 6.195 5.207 0.988 1
1 726 . 16 1 1 A 65 65 ILE CB C 65 41.669 40.643 1.026 1
1 739 . 16 1 1 A 65 65 ILE C C 65 176.874 175.233 1.641 1
1 740 . 16 1 1 A 66 66 PHE N N 66 116.902 118.421 -1.519 1
1 741 . 16 1 1 A 66 66 PHE H H 66 8.770 8.455 0.315 1
1 742 . 16 1 1 A 66 66 PHE CA C 66 56.114 55.441 0.673 1
1 743 . 16 1 1 A 66 66 PHE HA H 66 4.952 5.033 -0.081 1
1 744 . 16 1 1 A 66 66 PHE CB C 66 38.504 39.553 -1.049 1
1 757 . 16 1 1 A 66 66 PHE C C 66 170.992 171.570 -0.578 1
1 758 . 16 1 1 A 67 67 PRO CA C 67 61.161 62.499 -1.338 1
1 759 . 16 1 1 A 67 67 PRO HA H 67 3.678 3.938 -0.260 1
1 760 . 16 1 1 A 67 67 PRO CB C 67 30.788 31.661 -0.873 1
1 769 . 16 1 1 A 67 67 PRO C C 67 177.819 177.508 0.311 1
1 770 . 16 1 1 A 68 68 ALA N N 68 126.195 127.802 -1.607 1
1 771 . 16 1 1 A 68 68 ALA H H 68 8.458 8.783 -0.325 1
1 772 . 16 1 1 A 68 68 ALA CA C 68 54.676 55.168 -0.492 1
1 773 . 16 1 1 A 68 68 ALA HA H 68 4.008 4.202 -0.194 1
1 774 . 16 1 1 A 68 68 ALA CB C 68 18.986 18.373 0.613 1
1 778 . 16 1 1 A 68 68 ALA C C 68 178.933 179.533 -0.600 1
1 779 . 16 1 1 A 69 69 SER N N 69 110.156 113.278 -3.122 1
1 780 . 16 1 1 A 69 69 SER H H 69 8.370 8.031 0.339 1
1 781 . 16 1 1 A 69 69 SER CA C 69 60.250 60.292 -0.042 1
1 782 . 16 1 1 A 69 69 SER HA H 69 4.265 4.344 -0.079 1
1 783 . 16 1 1 A 69 69 SER CB C 69 62.718 62.758 -0.040 1
1 786 . 16 1 1 A 69 69 SER C C 69 175.748 175.595 0.153 1
1 787 . 16 1 1 A 70 70 TYR N N 70 119.475 119.283 0.192 1
1 788 . 16 1 1 A 70 70 TYR H H 70 7.728 7.614 0.114 1
1 789 . 16 1 1 A 70 70 TYR CA C 70 60.061 59.195 0.866 1
1 790 . 16 1 1 A 70 70 TYR HA H 70 4.620 4.641 -0.021 1
1 791 . 16 1 1 A 70 70 TYR CB C 70 39.039 40.263 -1.224 1
1 802 . 16 1 1 A 70 70 TYR C C 70 176.140 176.072 0.068 1
1 803 . 16 1 1 A 71 71 VAL N N 71 110.320 115.649 -5.329 1
1 804 . 16 1 1 A 71 71 VAL H H 71 8.064 7.049 1.015 1
1 805 . 16 1 1 A 71 71 VAL CA C 71 58.737 59.567 -0.830 1
1 806 . 16 1 1 A 71 71 VAL HA H 71 5.073 4.668 0.405 1
1 807 . 16 1 1 A 71 71 VAL CB C 71 35.550 34.153 1.397 1
1 817 . 16 1 1 A 71 71 VAL C C 71 173.044 173.956 -0.912 1
1 818 . 16 1 1 A 72 72 GLN N N 72 119.621 121.071 -1.450 1
1 819 . 16 1 1 A 72 72 GLN H H 72 8.448 8.854 -0.406 1
1 820 . 16 1 1 A 72 72 GLN CA C 72 54.351 53.997 0.354 1
1 821 . 16 1 1 A 72 72 GLN HA H 72 4.724 5.092 -0.368 1
1 822 . 16 1 1 A 72 72 GLN CB C 72 30.373 31.976 -1.603 1
1 831 . 16 1 1 A 72 72 GLN C C 72 176.050 173.902 2.148 1
1 832 . 16 1 1 A 73 73 VAL N N 73 130.439 126.943 3.496 1
1 833 . 16 1 1 A 73 73 VAL H H 73 9.369 8.843 0.526 1
1 834 . 16 1 1 A 73 73 VAL CA C 73 63.957 60.537 3.420 1
1 835 . 16 1 1 A 73 73 VAL HA H 73 3.856 4.544 -0.688 1
1 836 . 16 1 1 A 73 73 VAL CB C 73 32.616 32.762 -0.146 1
1 846 . 16 1 1 A 73 73 VAL C C 73 176.043 174.802 1.241 1
1 847 . 16 1 1 A 74 74 SER N N 74 123.766 122.340 1.426 1
1 848 . 16 1 1 A 74 74 SER H H 74 8.708 8.852 -0.144 1
1 849 . 16 1 1 A 74 74 SER CA C 74 58.930 59.953 -1.023 1
1 850 . 16 1 1 A 74 74 SER HA H 74 4.627 4.572 0.055 1
1 851 . 16 1 1 A 74 74 SER CB C 74 63.548 64.115 -0.567 1
1 854 . 16 1 1 A 74 74 SER C C 74 174.821 175.136 -0.315 1
1 855 . 16 1 1 A 75 75 ARG N N 75 122.335 121.051 1.284 1
1 856 . 16 1 1 A 75 75 ARG H H 75 7.690 7.346 0.344 1
1 857 . 16 1 1 A 75 75 ARG CA C 75 56.185 54.714 1.471 1
1 858 . 16 1 1 A 75 75 ARG HA H 75 4.526 4.608 -0.082 1
1 859 . 16 1 1 A 75 75 ARG CB C 75 33.734 30.647 3.087 1
1 868 . 16 1 1 A 75 75 ARG C C 75 174.824 174.675 0.149 1
1 869 . 16 1 1 A 76 76 GLU N N 76 126.797 126.284 0.513 1
1 870 . 16 1 1 A 76 76 GLU H H 76 8.916 8.490 0.426 1
1 871 . 16 1 1 A 76 76 GLU CA C 76 54.874 55.506 -0.632 1
1 872 . 16 1 1 A 76 76 GLU HA H 76 4.561 4.253 0.308 1
1 873 . 16 1 1 A 76 76 GLU CB C 76 28.925 29.231 -0.306 1
1 879 . 16 1 1 A 76 76 GLU C C 76 175.557 174.936 0.621 1
1 880 . 16 1 1 A 77 77 PRO CA C 77 62.726 62.840 -0.114 1
1 881 . 16 1 1 A 77 77 PRO HA H 77 4.584 4.704 -0.120 1
1 882 . 16 1 1 A 77 77 PRO CB C 77 32.153 32.634 -0.481 1
1 891 . 16 1 1 A 78 78 ARG N N 78 120.959 122.303 -1.344 1
1 892 . 16 1 1 A 78 78 ARG H H 78 8.814 8.682 0.132 1
1 893 . 16 1 1 A 78 78 ARG CA C 78 55.491 55.152 0.339 1
1 894 . 16 1 1 A 78 78 ARG HA H 78 4.743 4.805 -0.062 1
1 895 . 16 1 1 A 78 78 ARG CB C 78 33.443 33.625 -0.182 1
1 904 . 16 1 1 A 79 79 LEU N N 79 125.756 127.501 -1.745 1
1 905 . 16 1 1 A 79 79 LEU H H 79 8.789 8.891 -0.102 1
1 906 . 16 1 1 A 79 79 LEU CA C 79 54.346 55.836 -1.490 1
1 907 . 16 1 1 A 79 79 LEU HA H 79 5.007 4.449 0.558 1
1 908 . 16 1 1 A 79 79 LEU CB C 79 44.609 43.035 1.574 1
1 917 . 16 1 1 A 80 80 ARG N N 80 121.792 117.651 4.141 1
1 918 . 16 1 1 A 80 80 ARG H H 80 8.908 7.644 1.264 1
1 919 . 16 1 1 A 80 80 ARG CA C 80 54.966 54.392 0.574 1
1 920 . 16 1 1 A 80 80 ARG HA H 80 4.611 4.633 -0.022 1
1 921 . 16 1 1 A 80 80 ARG CB C 80 32.686 32.044 0.642 1
1 924 . 16 1 1 A 81 81 LEU N N 81 126.556 126.791 -0.235 1
1 925 . 16 1 1 A 81 81 LEU H H 81 8.702 8.793 -0.091 1
1 926 . 16 1 1 A 81 81 LEU CA C 81 55.199 54.581 0.618 1
1 927 . 16 1 1 A 81 81 LEU HA H 81 4.472 4.565 -0.093 1
1 928 . 16 1 1 A 81 81 LEU CB C 81 42.368 40.281 2.087 1
1 941 . 16 1 1 A 82 82 CYS N N 82 121.583 123.354 -1.771 1
1 942 . 16 1 1 A 82 82 CYS H H 82 8.466 8.427 0.039 1
1 943 . 16 1 1 A 82 82 CYS CA C 82 58.583 57.360 1.223 1
1 944 . 16 1 1 A 82 82 CYS HA H 82 4.475 5.289 -0.814 1
1 945 . 16 1 1 A 82 82 CYS CB C 82 28.438 31.973 -3.535 1
1 948 . 16 1 1 A 83 83 ASP N N 83 122.639 121.113 1.526 1
1 949 . 16 1 1 A 83 83 ASP H H 83 8.400 8.782 -0.382 1
1 950 . 16 1 1 A 83 83 ASP CA C 83 54.210 52.348 1.862 1
1 951 . 16 1 1 A 83 83 ASP HA H 83 4.654 5.424 -0.770 1
1 952 . 16 1 1 A 83 83 ASP CB C 83 41.291 42.279 -0.988 1
1 955 . 16 1 1 A 83 83 ASP C C 83 175.900 174.661 1.239 1
1 956 . 16 1 1 A 84 84 ASP N N 84 121.113 123.853 -2.740 1
1 957 . 16 1 1 A 84 84 ASP H H 84 8.310 8.732 -0.422 1
1 958 . 16 1 1 A 84 84 ASP CA C 84 54.330 53.348 0.982 1
1 959 . 16 1 1 A 84 84 ASP HA H 84 4.650 5.029 -0.379 1
1 960 . 16 1 1 A 84 84 ASP CB C 84 41.283 39.986 1.297 1
1 963 . 16 1 1 A 84 84 ASP C C 84 176.407 176.161 0.246 1
1 964 . 16 1 1 A 85 85 SER N N 85 116.212 120.510 -4.298 1
1 965 . 16 1 1 A 85 85 SER H H 85 8.332 8.550 -0.218 1
1 966 . 16 1 1 A 85 85 SER CA C 85 58.819 62.160 -3.341 1
1 967 . 16 1 1 A 85 85 SER HA H 85 4.438 4.009 0.429 1
1 968 . 16 1 1 A 85 85 SER CB C 85 63.961 63.006 0.955 1
1 971 . 16 1 1 A 85 85 SER C C 85 174.867 175.213 -0.346 1
1 972 . 16 1 1 A 86 86 GLY N N 86 110.652 107.307 3.345 1
1 973 . 16 1 1 A 86 86 GLY H H 86 8.251 7.758 0.493 1
1 974 . 16 1 1 A 86 86 GLY CA C 86 44.758 44.602 0.156 1
1 975 . 16 1 1 A 86 86 GLY HA2 H 86 4.109 4.120 -0.011 1
1 976 . 16 1 1 A 86 86 GLY HA3 H 86 4.109 4.120 -0.011 1
1 977 . 16 1 1 A 86 86 GLY C C 86 171.914 173.674 -1.760 1
1 978 . 16 1 1 A 87 87 PRO CA C 87 63.192 62.538 0.654 1
1 979 . 16 1 1 A 87 87 PRO HA H 87 4.484 4.607 -0.123 1
1 980 . 16 1 1 A 87 87 PRO CB C 87 32.243 32.847 -0.604 1
1 989 . 16 1 1 A 87 87 PRO C C 87 177.470 175.794 1.676 1
1 990 . 16 1 1 A 88 88 SER N N 88 116.433 113.708 2.725 1
1 991 . 16 1 1 A 88 88 SER H H 88 8.518 8.524 -0.006 1
1 992 . 16 1 1 A 88 88 SER CA C 88 58.330 56.956 1.374 1
1 993 . 16 1 1 A 88 88 SER HA H 88 4.571 5.334 -0.763 1
1 994 . 16 1 1 A 88 88 SER CB C 88 63.896 64.769 -0.873 1
1 997 . 16 1 1 A 88 88 SER C C 88 174.747 173.417 1.330 1
1 998 . 16 1 1 A 89 89 SER N N 89 117.882 119.682 -1.800 1
1 999 . 16 1 1 A 89 89 SER H H 89 8.335 8.864 -0.529 1
1 1000 . 16 1 1 A 89 89 SER CA C 89 58.497 57.793 0.704 1
1 1001 . 16 1 1 A 89 89 SER CB C 89 64.209 66.911 -2.702 1
1 1004 . 16 1 1 A 89 89 SER C C 89 174.100 173.474 0.626 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.146 45.943 -0.797 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.966 4.210 -0.244 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.966 4.211 -0.245 1
1 4 . 17 1 1 A 7 7 GLY C C 7 173.687 171.531 2.156 1
1 5 . 17 1 1 A 8 8 LYS N N 8 122.140 124.455 -2.315 1
1 6 . 17 1 1 A 8 8 LYS H H 8 8.107 8.518 -0.411 1
1 7 . 17 1 1 A 8 8 LYS CA C 8 54.053 53.132 0.921 1
1 8 . 17 1 1 A 8 8 LYS HA H 8 4.620 4.908 -0.288 1
1 9 . 17 1 1 A 8 8 LYS CB C 8 32.649 36.001 -3.352 1
1 21 . 17 1 1 A 8 8 LYS C C 8 174.270 174.522 -0.252 1
1 22 . 17 1 1 A 9 9 PRO CA C 9 61.632 61.699 -0.067 1
1 23 . 17 1 1 A 9 9 PRO HA H 9 4.687 4.684 0.003 1
1 24 . 17 1 1 A 9 9 PRO CB C 9 30.855 32.370 -1.515 1
1 33 . 17 1 1 A 10 10 PRO CA C 10 62.942 64.727 -1.785 1
1 34 . 17 1 1 A 10 10 PRO HA H 10 4.473 4.395 0.078 1
1 35 . 17 1 1 A 10 10 PRO CB C 10 32.197 32.145 0.052 1
1 44 . 17 1 1 A 11 11 THR N N 11 128.434 106.956 21.478 1
1 45 . 17 1 1 A 11 11 THR H H 11 8.172 7.403 0.769 1
1 46 . 17 1 1 A 11 11 THR CA C 11 61.644 60.574 1.070 1
1 47 . 17 1 1 A 11 11 THR HA H 11 4.357 4.685 -0.328 1
1 48 . 17 1 1 A 11 11 THR CB C 11 70.204 71.275 -1.071 1
1 54 . 17 1 1 A 12 12 TYR N N 12 120.312 124.225 -3.913 1
1 55 . 17 1 1 A 12 12 TYR H H 12 8.033 8.918 -0.885 1
1 56 . 17 1 1 A 12 12 TYR CA C 12 56.633 58.257 -1.624 1
1 57 . 17 1 1 A 12 12 TYR HA H 12 4.967 4.457 0.510 1
1 58 . 17 1 1 A 12 12 TYR CB C 12 40.403 38.510 1.893 1
1 69 . 17 1 1 A 13 13 GLN H H 13 8.634 8.457 0.177 1
1 70 . 17 1 1 A 13 13 GLN CA C 13 54.519 56.214 -1.695 1
1 71 . 17 1 1 A 13 13 GLN HA H 13 4.626 4.072 0.554 1
1 72 . 17 1 1 A 13 13 GLN CB C 13 31.183 28.890 2.293 1
1 81 . 17 1 1 A 14 14 VAL N N 14 124.270 122.058 2.212 1
1 82 . 17 1 1 A 14 14 VAL H H 14 8.773 8.446 0.327 1
1 83 . 17 1 1 A 14 14 VAL CA C 14 62.977 62.998 -0.021 1
1 84 . 17 1 1 A 14 14 VAL HA H 14 4.018 4.247 -0.229 1
1 85 . 17 1 1 A 14 14 VAL CB C 14 32.909 31.783 1.126 1
1 95 . 17 1 1 A 15 15 LEU N N 15 128.403 129.415 -1.012 1
1 96 . 17 1 1 A 15 15 LEU H H 15 8.726 9.092 -0.366 1
1 97 . 17 1 1 A 15 15 LEU CA C 15 55.620 53.470 2.150 1
1 98 . 17 1 1 A 15 15 LEU HA H 15 4.412 4.908 -0.496 1
1 99 . 17 1 1 A 15 15 LEU CB C 15 42.580 43.764 -1.184 1
1 112 . 17 1 1 A 16 16 GLU H H 16 8.687 8.972 -0.285 1
1 113 . 17 1 1 A 16 16 GLU CA C 16 55.492 56.395 -0.903 1
1 114 . 17 1 1 A 16 16 GLU HA H 16 4.401 4.466 -0.065 1
1 115 . 17 1 1 A 16 16 GLU CB C 16 32.409 29.078 3.331 1
1 120 . 17 1 1 A 17 17 TYR N N 17 124.726 120.559 4.167 1
1 121 . 17 1 1 A 17 17 TYR H H 17 8.505 7.791 0.714 1
1 122 . 17 1 1 A 17 17 TYR CA C 17 58.490 56.233 2.257 1
1 123 . 17 1 1 A 17 17 TYR HA H 17 4.598 5.139 -0.541 1
1 124 . 17 1 1 A 17 17 TYR CB C 17 38.814 42.630 -3.816 1
1 135 . 17 1 1 A 18 18 GLY N N 18 106.652 110.196 -3.544 1
1 136 . 17 1 1 A 18 18 GLY H H 18 9.176 8.336 0.840 1
1 137 . 17 1 1 A 18 18 GLY CA C 18 43.947 44.595 -0.648 1
1 138 . 17 1 1 A 18 18 GLY HA2 H 18 3.646 4.127 -0.481 1
1 139 . 17 1 1 A 18 18 GLY HA3 H 18 4.287 4.137 0.150 1
1 140 . 17 1 1 A 19 19 GLU N N 19 122.571 121.456 1.115 1
1 141 . 17 1 1 A 19 19 GLU H H 19 9.450 8.887 0.563 1
1 142 . 17 1 1 A 19 19 GLU CA C 19 56.496 54.853 1.643 1
1 143 . 17 1 1 A 19 19 GLU HA H 19 5.218 5.148 0.070 1
1 144 . 17 1 1 A 19 19 GLU CB C 19 34.419 33.467 0.952 1
1 149 . 17 1 1 A 19 19 GLU C C 19 173.496 175.073 -1.577 1
1 150 . 17 1 1 A 20 20 ALA N N 20 125.442 127.024 -1.582 1
1 151 . 17 1 1 A 20 20 ALA H H 20 8.813 8.722 0.091 1
1 152 . 17 1 1 A 20 20 ALA CA C 20 50.154 51.278 -1.124 1
1 153 . 17 1 1 A 20 20 ALA HA H 20 5.132 5.144 -0.012 1
1 154 . 17 1 1 A 20 20 ALA CB C 20 24.742 23.529 1.213 1
1 158 . 17 1 1 A 20 20 ALA C C 20 174.555 174.997 -0.442 1
1 159 . 17 1 1 A 21 21 VAL N N 21 117.729 119.768 -2.039 1
1 160 . 17 1 1 A 21 21 VAL H H 21 8.118 8.485 -0.367 1
1 161 . 17 1 1 A 21 21 VAL CA C 21 60.211 60.224 -0.013 1
1 162 . 17 1 1 A 21 21 VAL HA H 21 4.478 4.309 0.169 1
1 163 . 17 1 1 A 21 21 VAL CB C 21 34.751 35.335 -0.584 1
1 173 . 17 1 1 A 21 21 VAL C C 21 176.351 175.119 1.232 1
1 174 . 17 1 1 A 22 22 ALA N N 22 130.024 129.700 0.324 1
1 175 . 17 1 1 A 22 22 ALA H H 22 8.689 8.357 0.332 1
1 176 . 17 1 1 A 22 22 ALA CA C 22 53.496 52.892 0.604 1
1 177 . 17 1 1 A 22 22 ALA HA H 22 4.170 4.032 0.138 1
1 178 . 17 1 1 A 22 22 ALA CB C 22 20.793 18.891 1.902 1
1 182 . 17 1 1 A 22 22 ALA C C 22 178.156 176.595 1.561 1
1 183 . 17 1 1 A 23 23 GLN N N 23 126.904 122.637 4.267 1
1 184 . 17 1 1 A 23 23 GLN H H 23 9.442 8.602 0.840 1
1 185 . 17 1 1 A 23 23 GLN CA C 23 55.611 57.227 -1.616 1
1 186 . 17 1 1 A 23 23 GLN HA H 23 4.202 4.341 -0.139 1
1 187 . 17 1 1 A 23 23 GLN CB C 23 30.345 30.238 0.107 1
1 196 . 17 1 1 A 23 23 GLN C C 23 173.200 175.616 -2.416 1
1 197 . 17 1 1 A 24 24 TYR N N 24 115.157 116.067 -0.910 1
1 198 . 17 1 1 A 24 24 TYR H H 24 7.696 7.736 -0.040 1
1 199 . 17 1 1 A 24 24 TYR CA C 24 55.303 56.695 -1.392 1
1 200 . 17 1 1 A 24 24 TYR HA H 24 4.847 5.209 -0.362 1
1 201 . 17 1 1 A 24 24 TYR CB C 24 43.087 41.523 1.564 1
1 212 . 17 1 1 A 24 24 TYR C C 24 173.829 175.949 -2.120 1
1 213 . 17 1 1 A 25 25 THR N N 25 118.997 119.763 -0.766 1
1 214 . 17 1 1 A 25 25 THR H H 25 8.697 8.881 -0.184 1
1 215 . 17 1 1 A 25 25 THR CA C 25 63.201 63.745 -0.544 1
1 216 . 17 1 1 A 25 25 THR HA H 25 4.483 4.428 0.055 1
1 217 . 17 1 1 A 25 25 THR CB C 25 70.228 68.881 1.347 1
1 223 . 17 1 1 A 25 25 THR C C 25 173.214 174.006 -0.792 1
1 224 . 17 1 1 A 26 26 PHE N N 26 129.691 126.932 2.759 1
1 225 . 17 1 1 A 26 26 PHE H H 26 8.460 8.369 0.091 1
1 226 . 17 1 1 A 26 26 PHE CA C 26 55.887 56.750 -0.863 1
1 227 . 17 1 1 A 26 26 PHE HA H 26 4.631 5.182 -0.551 1
1 228 . 17 1 1 A 26 26 PHE CB C 26 42.134 41.794 0.340 1
1 241 . 17 1 1 A 26 26 PHE C C 26 173.089 173.968 -0.879 1
1 242 . 17 1 1 A 27 27 LYS N N 27 129.755 125.973 3.782 1
1 243 . 17 1 1 A 27 27 LYS H H 27 7.879 7.675 0.204 1
1 244 . 17 1 1 A 27 27 LYS CA C 27 54.562 54.374 0.188 1
1 245 . 17 1 1 A 27 27 LYS HA H 27 4.023 4.910 -0.887 1
1 246 . 17 1 1 A 27 27 LYS CB C 27 32.490 35.381 -2.891 1
1 258 . 17 1 1 A 27 27 LYS C C 27 174.852 175.033 -0.181 1
1 259 . 17 1 1 A 28 28 GLY N N 28 113.171 113.214 -0.043 1
1 260 . 17 1 1 A 28 28 GLY H H 28 7.726 8.518 -0.792 1
1 261 . 17 1 1 A 28 28 GLY CA C 28 45.922 44.715 1.207 1
1 262 . 17 1 1 A 28 28 GLY HA2 H 28 3.151 4.363 -1.212 1
1 263 . 17 1 1 A 28 28 GLY HA3 H 28 3.619 4.552 -0.933 1
1 264 . 17 1 1 A 28 28 GLY C C 28 173.250 174.085 -0.835 1
1 265 . 17 1 1 A 29 29 ASP N N 29 121.578 120.750 0.828 1
1 266 . 17 1 1 A 29 29 ASP H H 29 8.743 8.591 0.152 1
1 267 . 17 1 1 A 29 29 ASP CA C 29 55.162 55.121 0.041 1
1 268 . 17 1 1 A 29 29 ASP HA H 29 4.616 4.837 -0.221 1
1 269 . 17 1 1 A 29 29 ASP CB C 29 42.815 42.428 0.387 1
1 272 . 17 1 1 A 29 29 ASP C C 29 176.583 176.679 -0.096 1
1 273 . 17 1 1 A 30 30 LEU N N 30 119.139 120.556 -1.417 1
1 274 . 17 1 1 A 30 30 LEU H H 30 8.069 7.659 0.410 1
1 275 . 17 1 1 A 30 30 LEU CA C 30 54.174 55.253 -1.079 1
1 276 . 17 1 1 A 30 30 LEU HA H 30 4.585 4.295 0.290 1
1 277 . 17 1 1 A 30 30 LEU CB C 30 44.109 42.313 1.796 1
1 290 . 17 1 1 A 30 30 LEU C C 30 179.241 178.136 1.105 1
1 291 . 17 1 1 A 31 31 GLU N N 31 122.182 122.453 -0.271 1
1 292 . 17 1 1 A 31 31 GLU H H 31 8.905 8.879 0.026 1
1 293 . 17 1 1 A 31 31 GLU CA C 31 59.392 60.060 -0.668 1
1 294 . 17 1 1 A 31 31 GLU HA H 31 4.151 3.987 0.164 1
1 295 . 17 1 1 A 31 31 GLU CB C 31 29.605 29.425 0.180 1
1 301 . 17 1 1 A 31 31 GLU C C 31 177.520 178.523 -1.003 1
1 302 . 17 1 1 A 32 32 VAL N N 32 108.281 117.338 -9.057 1
1 303 . 17 1 1 A 32 32 VAL H H 32 7.186 7.838 -0.652 1
1 304 . 17 1 1 A 32 32 VAL CA C 32 61.950 65.408 -3.458 1
1 305 . 17 1 1 A 32 32 VAL HA H 32 4.365 3.803 0.562 1
1 306 . 17 1 1 A 32 32 VAL CB C 32 32.222 31.489 0.733 1
1 316 . 17 1 1 A 32 32 VAL C C 32 176.602 176.692 -0.090 1
1 317 . 17 1 1 A 33 33 GLU N N 33 120.835 121.394 -0.559 1
1 318 . 17 1 1 A 33 33 GLU H H 33 7.751 7.962 -0.211 1
1 319 . 17 1 1 A 33 33 GLU CA C 33 55.560 56.209 -0.649 1
1 320 . 17 1 1 A 33 33 GLU HA H 33 5.106 4.630 0.476 1
1 321 . 17 1 1 A 33 33 GLU CB C 33 31.354 29.734 1.620 1
1 327 . 17 1 1 A 33 33 GLU C C 33 176.180 176.039 0.141 1
1 328 . 17 1 1 A 34 34 LEU N N 34 126.568 128.775 -2.207 1
1 329 . 17 1 1 A 34 34 LEU H H 34 9.073 8.775 0.298 1
1 330 . 17 1 1 A 34 34 LEU CA C 34 53.385 54.307 -0.922 1
1 331 . 17 1 1 A 34 34 LEU HA H 34 4.481 4.979 -0.498 1
1 332 . 17 1 1 A 34 34 LEU CB C 34 44.305 44.241 0.064 1
1 345 . 17 1 1 A 34 34 LEU C C 34 173.373 176.224 -2.851 1
1 346 . 17 1 1 A 35 35 SER N N 35 116.987 120.515 -3.528 1
1 347 . 17 1 1 A 35 35 SER H H 35 7.561 8.903 -1.342 1
1 348 . 17 1 1 A 35 35 SER CA C 35 58.335 56.346 1.989 1
1 349 . 17 1 1 A 35 35 SER HA H 35 4.569 5.389 -0.820 1
1 350 . 17 1 1 A 35 35 SER CB C 35 64.536 65.572 -1.036 1
1 353 . 17 1 1 A 35 35 SER C C 35 174.513 174.163 0.350 1
1 354 . 17 1 1 A 36 36 PHE N N 36 117.028 117.596 -0.568 1
1 355 . 17 1 1 A 36 36 PHE H H 36 8.339 8.499 -0.160 1
1 356 . 17 1 1 A 36 36 PHE CA C 36 55.938 55.841 0.097 1
1 357 . 17 1 1 A 36 36 PHE HA H 36 4.647 5.134 -0.487 1
1 358 . 17 1 1 A 36 36 PHE CB C 36 39.959 41.327 -1.368 1
1 371 . 17 1 1 A 36 36 PHE C C 36 174.055 172.242 1.813 1
1 372 . 17 1 1 A 37 37 ARG N N 37 120.296 120.423 -0.127 1
1 373 . 17 1 1 A 37 37 ARG H H 37 9.859 8.549 1.310 1
1 374 . 17 1 1 A 37 37 ARG CA C 37 53.915 54.679 -0.764 1
1 375 . 17 1 1 A 37 37 ARG HA H 37 4.929 4.834 0.095 1
1 376 . 17 1 1 A 37 37 ARG CB C 37 32.735 32.343 0.392 1
1 385 . 17 1 1 A 37 37 ARG C C 37 175.793 175.993 -0.200 1
1 386 . 17 1 1 A 38 38 LYS N N 38 121.649 123.691 -2.042 1
1 387 . 17 1 1 A 38 38 LYS H H 38 7.938 8.209 -0.271 1
1 388 . 17 1 1 A 38 38 LYS CA C 38 58.880 58.288 0.592 1
1 389 . 17 1 1 A 38 38 LYS HA H 38 3.291 3.920 -0.629 1
1 390 . 17 1 1 A 38 38 LYS CB C 38 32.755 32.082 0.673 1
1 402 . 17 1 1 A 38 38 LYS C C 38 176.459 177.273 -0.814 1
1 403 . 17 1 1 A 39 39 GLY N N 39 114.431 115.001 -0.570 1
1 404 . 17 1 1 A 39 39 GLY H H 39 8.618 9.285 -0.667 1
1 405 . 17 1 1 A 39 39 GLY CA C 39 44.652 45.084 -0.432 1
1 406 . 17 1 1 A 39 39 GLY HA2 H 39 3.438 3.976 -0.538 1
1 407 . 17 1 1 A 39 39 GLY HA3 H 39 4.399 3.998 0.401 1
1 408 . 17 1 1 A 39 39 GLY C C 39 174.586 174.385 0.201 1
1 409 . 17 1 1 A 40 40 GLU N N 40 119.554 121.220 -1.666 1
1 410 . 17 1 1 A 40 40 GLU H H 40 7.931 7.753 0.178 1
1 411 . 17 1 1 A 40 40 GLU CA C 40 59.197 57.388 1.809 1
1 412 . 17 1 1 A 40 40 GLU HA H 40 4.272 4.369 -0.097 1
1 413 . 17 1 1 A 40 40 GLU CB C 40 30.759 30.730 0.029 1
1 419 . 17 1 1 A 40 40 GLU C C 40 175.278 175.531 -0.253 1
1 420 . 17 1 1 A 41 41 HIS N N 41 121.677 120.095 1.582 1
1 421 . 17 1 1 A 41 41 HIS H H 41 8.837 9.051 -0.214 1
1 422 . 17 1 1 A 41 41 HIS CA C 41 56.432 54.855 1.577 1
1 423 . 17 1 1 A 41 41 HIS HA H 41 4.817 5.079 -0.262 1
1 424 . 17 1 1 A 41 41 HIS CB C 41 30.260 30.864 -0.604 1
1 431 . 17 1 1 A 41 41 HIS C C 41 174.622 174.155 0.467 1
1 432 . 17 1 1 A 42 42 ILE N N 42 123.889 125.042 -1.153 1
1 433 . 17 1 1 A 42 42 ILE H H 42 8.753 8.656 0.097 1
1 434 . 17 1 1 A 42 42 ILE CA C 42 60.433 60.220 0.213 1
1 435 . 17 1 1 A 42 42 ILE HA H 42 4.079 4.540 -0.461 1
1 436 . 17 1 1 A 42 42 ILE CB C 42 42.258 38.685 3.573 1
1 449 . 17 1 1 A 42 42 ILE C C 42 174.377 174.888 -0.511 1
1 450 . 17 1 1 A 43 43 CYS N N 43 127.431 128.024 -0.593 1
1 451 . 17 1 1 A 43 43 CYS H H 43 8.877 8.419 0.458 1
1 452 . 17 1 1 A 43 43 CYS CA C 43 57.909 59.298 -1.389 1
1 453 . 17 1 1 A 43 43 CYS HA H 43 4.654 4.710 -0.056 1
1 454 . 17 1 1 A 43 43 CYS CB C 43 26.650 28.131 -1.481 1
1 457 . 17 1 1 A 43 43 CYS C C 43 174.875 174.091 0.784 1
1 458 . 17 1 1 A 44 44 LEU N N 44 126.732 128.503 -1.771 1
1 459 . 17 1 1 A 44 44 LEU H H 44 7.724 8.545 -0.821 1
1 460 . 17 1 1 A 44 44 LEU CA C 44 53.741 54.574 -0.833 1
1 461 . 17 1 1 A 44 44 LEU HA H 44 4.546 4.501 0.045 1
1 462 . 17 1 1 A 44 44 LEU CB C 44 43.286 41.065 2.221 1
1 475 . 17 1 1 A 44 44 LEU C C 44 175.004 176.324 -1.320 1
1 476 . 17 1 1 A 45 45 ILE N N 45 125.519 126.975 -1.456 1
1 477 . 17 1 1 A 45 45 ILE H H 45 9.058 8.663 0.395 1
1 478 . 17 1 1 A 45 45 ILE CA C 45 63.488 63.099 0.389 1
1 479 . 17 1 1 A 45 45 ILE HA H 45 4.121 4.279 -0.158 1
1 480 . 17 1 1 A 45 45 ILE CB C 45 39.808 38.636 1.172 1
1 493 . 17 1 1 A 46 46 ARG N N 46 105.448 120.128 -14.680 1
1 494 . 17 1 1 A 46 46 ARG H H 46 7.377 7.399 -0.022 1
1 495 . 17 1 1 A 46 46 ARG CA C 46 54.848 54.435 0.413 1
1 496 . 17 1 1 A 46 46 ARG HA H 46 4.576 4.563 0.013 1
1 497 . 17 1 1 A 46 46 ARG CB C 46 32.078 32.080 -0.002 1
1 508 . 17 1 1 A 46 46 ARG C C 46 174.353 175.050 -0.697 1
1 509 . 17 1 1 A 47 47 LYS N N 47 124.397 126.869 -2.472 1
1 510 . 17 1 1 A 47 47 LYS H H 47 9.254 8.521 0.733 1
1 511 . 17 1 1 A 47 47 LYS CA C 47 56.832 56.465 0.367 1
1 512 . 17 1 1 A 47 47 LYS HA H 47 4.353 4.340 0.013 1
1 513 . 17 1 1 A 47 47 LYS CB C 47 32.868 32.968 -0.100 1
1 525 . 17 1 1 A 47 47 LYS C C 47 176.540 176.589 -0.049 1
1 526 . 17 1 1 A 48 48 VAL N N 48 126.203 127.318 -1.115 1
1 527 . 17 1 1 A 48 48 VAL H H 48 8.289 8.696 -0.407 1
1 528 . 17 1 1 A 48 48 VAL CA C 48 63.966 65.971 -2.005 1
1 529 . 17 1 1 A 48 48 VAL HA H 48 3.784 3.544 0.240 1
1 530 . 17 1 1 A 48 48 VAL CB C 48 33.030 32.038 0.992 1
1 540 . 17 1 1 A 48 48 VAL C C 48 175.547 176.328 -0.781 1
1 541 . 17 1 1 A 49 49 ASN N N 49 115.717 116.110 -0.393 1
1 542 . 17 1 1 A 49 49 ASN H H 49 8.167 7.945 0.222 1
1 543 . 17 1 1 A 49 49 ASN CA C 49 52.768 51.613 1.155 1
1 544 . 17 1 1 A 49 49 ASN HA H 49 4.428 5.030 -0.602 1
1 545 . 17 1 1 A 49 49 ASN CB C 49 37.683 42.203 -4.520 1
1 551 . 17 1 1 A 49 49 ASN C C 49 174.537 175.546 -1.009 1
1 552 . 17 1 1 A 50 50 GLU N N 50 114.361 120.726 -6.365 1
1 553 . 17 1 1 A 50 50 GLU H H 50 8.781 9.120 -0.339 1
1 554 . 17 1 1 A 50 50 GLU CA C 50 59.835 58.891 0.944 1
1 555 . 17 1 1 A 50 50 GLU HA H 50 3.947 4.101 -0.154 1
1 556 . 17 1 1 A 50 50 GLU CB C 50 29.534 29.047 0.487 1
1 562 . 17 1 1 A 50 50 GLU C C 50 176.796 177.511 -0.715 1
1 563 . 17 1 1 A 51 51 ASN N N 51 112.673 115.994 -3.321 1
1 564 . 17 1 1 A 51 51 ASN H H 51 8.535 7.721 0.814 1
1 565 . 17 1 1 A 51 51 ASN CA C 51 53.328 54.595 -1.267 1
1 566 . 17 1 1 A 51 51 ASN HA H 51 4.968 4.853 0.115 1
1 567 . 17 1 1 A 51 51 ASN CB C 51 41.171 40.374 0.797 1
1 573 . 17 1 1 A 51 51 ASN C C 51 174.756 175.670 -0.914 1
1 574 . 17 1 1 A 52 52 TRP N N 52 121.399 118.192 3.207 1
1 575 . 17 1 1 A 52 52 TRP H H 52 7.726 7.839 -0.113 1
1 576 . 17 1 1 A 52 52 TRP CA C 52 57.485 57.775 -0.290 1
1 577 . 17 1 1 A 52 52 TRP HA H 52 5.072 4.855 0.217 1
1 578 . 17 1 1 A 52 52 TRP CB C 52 31.703 30.801 0.902 1
1 593 . 17 1 1 A 52 52 TRP C C 52 174.756 175.978 -1.222 1
1 594 . 17 1 1 A 53 53 TYR N N 53 118.564 120.123 -1.559 1
1 595 . 17 1 1 A 53 53 TYR H H 53 8.443 8.876 -0.433 1
1 596 . 17 1 1 A 53 53 TYR CA C 53 57.305 56.145 1.160 1
1 597 . 17 1 1 A 53 53 TYR HA H 53 4.978 5.101 -0.123 1
1 598 . 17 1 1 A 53 53 TYR CB C 53 44.030 43.623 0.407 1
1 609 . 17 1 1 A 53 53 TYR C C 53 174.045 173.728 0.317 1
1 610 . 17 1 1 A 54 54 GLU N N 54 117.557 121.340 -3.783 1
1 611 . 17 1 1 A 54 54 GLU H H 54 8.906 8.586 0.320 1
1 612 . 17 1 1 A 54 54 GLU CA C 54 54.986 55.047 -0.061 1
1 613 . 17 1 1 A 54 54 GLU HA H 54 5.059 4.931 0.128 1
1 614 . 17 1 1 A 54 54 GLU CB C 54 32.458 32.599 -0.141 1
1 620 . 17 1 1 A 54 54 GLU C C 54 176.438 175.211 1.227 1
1 621 . 17 1 1 A 55 55 GLY N N 55 114.051 112.887 1.164 1
1 622 . 17 1 1 A 55 55 GLY H H 55 9.556 8.500 1.056 1
1 623 . 17 1 1 A 55 55 GLY CA C 55 45.816 45.205 0.611 1
1 624 . 17 1 1 A 55 55 GLY HA2 H 55 5.166 4.435 0.731 1
1 625 . 17 1 1 A 55 55 GLY HA3 H 55 3.929 4.588 -0.659 1
1 626 . 17 1 1 A 55 55 GLY C C 55 169.584 172.921 -3.337 1
1 627 . 17 1 1 A 56 56 ARG N N 56 116.523 117.549 -1.026 1
1 628 . 17 1 1 A 56 56 ARG H H 56 9.093 8.523 0.570 1
1 629 . 17 1 1 A 56 56 ARG CA C 56 53.977 54.796 -0.819 1
1 630 . 17 1 1 A 56 56 ARG HA H 56 5.528 5.274 0.254 1
1 631 . 17 1 1 A 56 56 ARG CB C 56 34.963 34.078 0.885 1
1 640 . 17 1 1 A 56 56 ARG C C 56 174.325 174.645 -0.320 1
1 641 . 17 1 1 A 57 57 ILE N N 57 123.690 124.814 -1.124 1
1 642 . 17 1 1 A 57 57 ILE H H 57 8.230 8.536 -0.306 1
1 643 . 17 1 1 A 57 57 ILE CA C 57 59.706 61.682 -1.976 1
1 644 . 17 1 1 A 57 57 ILE HA H 57 4.585 4.199 0.386 1
1 645 . 17 1 1 A 57 57 ILE CB C 57 35.623 36.867 -1.244 1
1 658 . 17 1 1 A 57 57 ILE C C 57 177.239 176.268 0.971 1
1 659 . 17 1 1 A 58 58 THR N N 58 112.797 123.613 -10.816 1
1 660 . 17 1 1 A 58 58 THR H H 58 8.805 8.489 0.316 1
1 661 . 17 1 1 A 58 58 THR CA C 58 65.598 63.594 2.004 1
1 662 . 17 1 1 A 58 58 THR HA H 58 3.857 4.116 -0.259 1
1 663 . 17 1 1 A 58 58 THR CB C 58 68.553 68.562 -0.009 1
1 669 . 17 1 1 A 59 59 GLY CA C 59 45.463 45.315 0.148 1
1 670 . 17 1 1 A 59 59 GLY HA2 H 59 3.834 4.029 -0.195 1
1 671 . 17 1 1 A 59 59 GLY HA3 H 59 4.266 4.031 0.235 1
1 672 . 17 1 1 A 59 59 GLY C C 59 174.543 174.176 0.367 1
1 673 . 17 1 1 A 60 60 THR N N 60 108.632 111.880 -3.248 1
1 674 . 17 1 1 A 60 60 THR H H 60 7.779 8.006 -0.227 1
1 675 . 17 1 1 A 60 60 THR CA C 60 61.017 59.826 1.191 1
1 676 . 17 1 1 A 60 60 THR HA H 60 4.892 4.609 0.283 1
1 677 . 17 1 1 A 60 60 THR CB C 60 72.426 71.273 1.153 1
1 683 . 17 1 1 A 60 60 THR C C 60 175.144 175.889 -0.745 1
1 684 . 17 1 1 A 61 61 GLY CA C 61 45.320 47.351 -2.031 1
1 685 . 17 1 1 A 61 61 GLY HA2 H 61 3.930 3.889 0.041 1
1 686 . 17 1 1 A 61 61 GLY HA3 H 61 4.183 3.890 0.293 1
1 687 . 17 1 1 A 61 61 GLY C C 61 174.641 175.164 -0.523 1
1 688 . 17 1 1 A 62 62 ARG N N 62 121.575 121.257 0.318 1
1 689 . 17 1 1 A 62 62 ARG H H 62 8.229 7.824 0.405 1
1 690 . 17 1 1 A 62 62 ARG CA C 62 56.440 57.180 -0.740 1
1 691 . 17 1 1 A 62 62 ARG HA H 62 4.380 4.301 0.079 1
1 692 . 17 1 1 A 62 62 ARG CB C 62 30.667 31.034 -0.367 1
1 701 . 17 1 1 A 62 62 ARG C C 62 174.530 176.214 -1.684 1
1 702 . 17 1 1 A 63 63 GLN N N 63 124.206 123.609 0.597 1
1 703 . 17 1 1 A 63 63 GLN H H 63 8.473 8.621 -0.148 1
1 704 . 17 1 1 A 63 63 GLN CA C 63 54.768 55.443 -0.675 1
1 705 . 17 1 1 A 63 63 GLN HA H 63 5.449 4.923 0.526 1
1 706 . 17 1 1 A 63 63 GLN CB C 63 32.243 32.100 0.143 1
1 715 . 17 1 1 A 63 63 GLN C C 63 174.555 174.827 -0.272 1
1 716 . 17 1 1 A 64 64 GLY N N 64 111.132 111.948 -0.816 1
1 717 . 17 1 1 A 64 64 GLY H H 64 8.962 8.223 0.739 1
1 718 . 17 1 1 A 64 64 GLY CA C 64 45.780 46.152 -0.372 1
1 719 . 17 1 1 A 64 64 GLY HA2 H 64 4.498 4.321 0.177 1
1 720 . 17 1 1 A 64 64 GLY HA3 H 64 4.351 4.367 -0.016 1
1 721 . 17 1 1 A 64 64 GLY C C 64 172.117 172.119 -0.002 1
1 722 . 17 1 1 A 65 65 ILE N N 65 114.051 118.520 -4.469 1
1 723 . 17 1 1 A 65 65 ILE H H 65 8.824 8.760 0.064 1
1 724 . 17 1 1 A 65 65 ILE CA C 65 59.949 58.863 1.086 1
1 725 . 17 1 1 A 65 65 ILE HA H 65 6.195 5.103 1.092 1
1 726 . 17 1 1 A 65 65 ILE CB C 65 41.669 40.723 0.946 1
1 739 . 17 1 1 A 65 65 ILE C C 65 176.874 175.056 1.818 1
1 740 . 17 1 1 A 66 66 PHE N N 66 116.902 118.509 -1.607 1
1 741 . 17 1 1 A 66 66 PHE H H 66 8.770 8.496 0.274 1
1 742 . 17 1 1 A 66 66 PHE CA C 66 56.114 55.330 0.784 1
1 743 . 17 1 1 A 66 66 PHE HA H 66 4.952 4.911 0.041 1
1 744 . 17 1 1 A 66 66 PHE CB C 66 38.504 39.698 -1.194 1
1 757 . 17 1 1 A 66 66 PHE C C 66 170.992 171.643 -0.651 1
1 758 . 17 1 1 A 67 67 PRO CA C 67 61.161 62.530 -1.369 1
1 759 . 17 1 1 A 67 67 PRO HA H 67 3.678 4.564 -0.886 1
1 760 . 17 1 1 A 67 67 PRO CB C 67 30.788 31.418 -0.630 1
1 769 . 17 1 1 A 67 67 PRO C C 67 177.819 177.970 -0.151 1
1 770 . 17 1 1 A 68 68 ALA N N 68 126.195 128.808 -2.613 1
1 771 . 17 1 1 A 68 68 ALA H H 68 8.458 9.151 -0.693 1
1 772 . 17 1 1 A 68 68 ALA CA C 68 54.676 55.416 -0.740 1
1 773 . 17 1 1 A 68 68 ALA HA H 68 4.008 4.037 -0.029 1
1 774 . 17 1 1 A 68 68 ALA CB C 68 18.986 18.569 0.417 1
1 778 . 17 1 1 A 68 68 ALA C C 68 178.933 179.659 -0.726 1
1 779 . 17 1 1 A 69 69 SER N N 69 110.156 113.995 -3.839 1
1 780 . 17 1 1 A 69 69 SER H H 69 8.370 8.192 0.178 1
1 781 . 17 1 1 A 69 69 SER CA C 69 60.250 62.185 -1.935 1
1 782 . 17 1 1 A 69 69 SER HA H 69 4.265 4.181 0.084 1
1 783 . 17 1 1 A 69 69 SER CB C 69 62.718 63.206 -0.488 1
1 786 . 17 1 1 A 69 69 SER C C 69 175.748 176.158 -0.410 1
1 787 . 17 1 1 A 70 70 TYR N N 70 119.475 120.184 -0.709 1
1 788 . 17 1 1 A 70 70 TYR H H 70 7.728 7.693 0.035 1
1 789 . 17 1 1 A 70 70 TYR CA C 70 60.061 60.607 -0.546 1
1 790 . 17 1 1 A 70 70 TYR HA H 70 4.620 4.389 0.231 1
1 791 . 17 1 1 A 70 70 TYR CB C 70 39.039 38.750 0.289 1
1 802 . 17 1 1 A 70 70 TYR C C 70 176.140 176.297 -0.157 1
1 803 . 17 1 1 A 71 71 VAL N N 71 110.320 116.831 -6.511 1
1 804 . 17 1 1 A 71 71 VAL H H 71 8.064 7.735 0.329 1
1 805 . 17 1 1 A 71 71 VAL CA C 71 58.737 60.014 -1.277 1
1 806 . 17 1 1 A 71 71 VAL HA H 71 5.073 4.403 0.670 1
1 807 . 17 1 1 A 71 71 VAL CB C 71 35.550 33.925 1.625 1
1 817 . 17 1 1 A 71 71 VAL C C 71 173.044 173.986 -0.942 1
1 818 . 17 1 1 A 72 72 GLN N N 72 119.621 121.737 -2.116 1
1 819 . 17 1 1 A 72 72 GLN H H 72 8.448 8.777 -0.329 1
1 820 . 17 1 1 A 72 72 GLN CA C 72 54.351 54.229 0.122 1
1 821 . 17 1 1 A 72 72 GLN HA H 72 4.724 4.842 -0.118 1
1 822 . 17 1 1 A 72 72 GLN CB C 72 30.373 32.067 -1.694 1
1 831 . 17 1 1 A 72 72 GLN C C 72 176.050 174.309 1.741 1
1 832 . 17 1 1 A 73 73 VAL N N 73 130.439 127.725 2.714 1
1 833 . 17 1 1 A 73 73 VAL H H 73 9.369 8.893 0.476 1
1 834 . 17 1 1 A 73 73 VAL CA C 73 63.957 62.671 1.286 1
1 835 . 17 1 1 A 73 73 VAL HA H 73 3.856 4.083 -0.227 1
1 836 . 17 1 1 A 73 73 VAL CB C 73 32.616 31.633 0.983 1
1 846 . 17 1 1 A 73 73 VAL C C 73 176.043 175.814 0.229 1
1 847 . 17 1 1 A 74 74 SER N N 74 123.766 122.829 0.937 1
1 848 . 17 1 1 A 74 74 SER H H 74 8.708 8.673 0.035 1
1 849 . 17 1 1 A 74 74 SER CA C 74 58.930 59.629 -0.699 1
1 850 . 17 1 1 A 74 74 SER HA H 74 4.627 4.532 0.095 1
1 851 . 17 1 1 A 74 74 SER CB C 74 63.548 65.319 -1.771 1
1 854 . 17 1 1 A 74 74 SER C C 74 174.821 173.878 0.943 1
1 855 . 17 1 1 A 75 75 ARG N N 75 122.335 119.547 2.788 1
1 856 . 17 1 1 A 75 75 ARG H H 75 7.690 7.471 0.219 1
1 857 . 17 1 1 A 75 75 ARG CA C 75 56.185 54.991 1.194 1
1 858 . 17 1 1 A 75 75 ARG HA H 75 4.526 4.776 -0.250 1
1 859 . 17 1 1 A 75 75 ARG CB C 75 33.734 32.866 0.868 1
1 868 . 17 1 1 A 75 75 ARG C C 75 174.824 174.778 0.046 1
1 869 . 17 1 1 A 76 76 GLU N N 76 126.797 127.293 -0.496 1
1 870 . 17 1 1 A 76 76 GLU H H 76 8.916 8.484 0.432 1
1 871 . 17 1 1 A 76 76 GLU CA C 76 54.874 55.327 -0.453 1
1 872 . 17 1 1 A 76 76 GLU HA H 76 4.561 4.482 0.079 1
1 873 . 17 1 1 A 76 76 GLU CB C 76 28.925 29.099 -0.174 1
1 879 . 17 1 1 A 76 76 GLU C C 76 175.557 174.829 0.728 1
1 880 . 17 1 1 A 77 77 PRO CA C 77 62.726 62.784 -0.058 1
1 881 . 17 1 1 A 77 77 PRO HA H 77 4.584 4.694 -0.110 1
1 882 . 17 1 1 A 77 77 PRO CB C 77 32.153 32.597 -0.444 1
1 891 . 17 1 1 A 78 78 ARG N N 78 120.959 122.475 -1.516 1
1 892 . 17 1 1 A 78 78 ARG H H 78 8.814 8.653 0.161 1
1 893 . 17 1 1 A 78 78 ARG CA C 78 55.491 55.018 0.473 1
1 894 . 17 1 1 A 78 78 ARG HA H 78 4.743 4.762 -0.019 1
1 895 . 17 1 1 A 78 78 ARG CB C 78 33.443 33.157 0.286 1
1 904 . 17 1 1 A 79 79 LEU N N 79 125.756 128.844 -3.088 1
1 905 . 17 1 1 A 79 79 LEU H H 79 8.789 8.678 0.111 1
1 906 . 17 1 1 A 79 79 LEU CA C 79 54.346 53.826 0.520 1
1 907 . 17 1 1 A 79 79 LEU HA H 79 5.007 4.697 0.310 1
1 908 . 17 1 1 A 79 79 LEU CB C 79 44.609 42.247 2.362 1
1 917 . 17 1 1 A 80 80 ARG N N 80 121.792 120.600 1.192 1
1 918 . 17 1 1 A 80 80 ARG H H 80 8.908 8.340 0.568 1
1 919 . 17 1 1 A 80 80 ARG CA C 80 54.966 57.007 -2.041 1
1 920 . 17 1 1 A 80 80 ARG HA H 80 4.611 3.953 0.658 1
1 921 . 17 1 1 A 80 80 ARG CB C 80 32.686 28.065 4.621 1
1 924 . 17 1 1 A 81 81 LEU N N 81 126.556 117.004 9.552 1
1 925 . 17 1 1 A 81 81 LEU H H 81 8.702 8.118 0.584 1
1 926 . 17 1 1 A 81 81 LEU CA C 81 55.199 55.923 -0.724 1
1 927 . 17 1 1 A 81 81 LEU HA H 81 4.472 4.356 0.116 1
1 928 . 17 1 1 A 81 81 LEU CB C 81 42.368 43.656 -1.288 1
1 941 . 17 1 1 A 82 82 CYS N N 82 121.583 114.558 7.025 1
1 942 . 17 1 1 A 82 82 CYS H H 82 8.466 7.728 0.738 1
1 943 . 17 1 1 A 82 82 CYS CA C 82 58.583 56.852 1.731 1
1 944 . 17 1 1 A 82 82 CYS HA H 82 4.475 4.955 -0.480 1
1 945 . 17 1 1 A 82 82 CYS CB C 82 28.438 30.366 -1.928 1
1 948 . 17 1 1 A 83 83 ASP N N 83 122.639 121.844 0.795 1
1 949 . 17 1 1 A 83 83 ASP H H 83 8.400 8.892 -0.492 1
1 950 . 17 1 1 A 83 83 ASP CA C 83 54.210 52.293 1.917 1
1 951 . 17 1 1 A 83 83 ASP HA H 83 4.654 5.245 -0.591 1
1 952 . 17 1 1 A 83 83 ASP CB C 83 41.291 42.851 -1.560 1
1 955 . 17 1 1 A 83 83 ASP C C 83 175.900 174.831 1.069 1
1 956 . 17 1 1 A 84 84 ASP N N 84 121.113 119.382 1.731 1
1 957 . 17 1 1 A 84 84 ASP H H 84 8.310 8.664 -0.354 1
1 958 . 17 1 1 A 84 84 ASP CA C 84 54.330 53.195 1.135 1
1 959 . 17 1 1 A 84 84 ASP HA H 84 4.650 5.334 -0.684 1
1 960 . 17 1 1 A 84 84 ASP CB C 84 41.283 44.415 -3.132 1
1 963 . 17 1 1 A 84 84 ASP C C 84 176.407 174.878 1.529 1
1 964 . 17 1 1 A 85 85 SER N N 85 116.212 118.502 -2.290 1
1 965 . 17 1 1 A 85 85 SER H H 85 8.332 8.915 -0.583 1
1 966 . 17 1 1 A 85 85 SER CA C 85 58.819 57.694 1.125 1
1 967 . 17 1 1 A 85 85 SER HA H 85 4.438 4.932 -0.494 1
1 968 . 17 1 1 A 85 85 SER CB C 85 63.961 64.030 -0.069 1
1 971 . 17 1 1 A 85 85 SER C C 85 174.867 174.486 0.381 1
1 972 . 17 1 1 A 86 86 GLY N N 86 110.652 113.472 -2.820 1
1 973 . 17 1 1 A 86 86 GLY H H 86 8.251 8.689 -0.438 1
1 974 . 17 1 1 A 86 86 GLY CA C 86 44.758 47.604 -2.846 1
1 975 . 17 1 1 A 86 86 GLY HA2 H 86 4.109 3.872 0.237 1
1 976 . 17 1 1 A 86 86 GLY HA3 H 86 4.109 3.873 0.236 1
1 977 . 17 1 1 A 86 86 GLY C C 86 171.914 174.611 -2.697 1
1 978 . 17 1 1 A 87 87 PRO CA C 87 63.192 62.767 0.425 1
1 979 . 17 1 1 A 87 87 PRO HA H 87 4.484 4.600 -0.116 1
1 980 . 17 1 1 A 87 87 PRO CB C 87 32.243 31.579 0.664 1
1 989 . 17 1 1 A 87 87 PRO C C 87 177.470 175.962 1.508 1
1 990 . 17 1 1 A 88 88 SER N N 88 116.433 119.492 -3.059 1
1 991 . 17 1 1 A 88 88 SER H H 88 8.518 8.531 -0.013 1
1 992 . 17 1 1 A 88 88 SER CA C 88 58.330 57.856 0.474 1
1 993 . 17 1 1 A 88 88 SER HA H 88 4.571 4.821 -0.250 1
1 994 . 17 1 1 A 88 88 SER CB C 88 63.896 67.290 -3.394 1
1 997 . 17 1 1 A 88 88 SER C C 88 174.747 172.878 1.869 1
1 998 . 17 1 1 A 89 89 SER N N 89 117.882 118.155 -0.273 1
1 999 . 17 1 1 A 89 89 SER H H 89 8.335 8.738 -0.403 1
1 1000 . 17 1 1 A 89 89 SER CA C 89 58.497 59.538 -1.041 1
1 1001 . 17 1 1 A 89 89 SER CB C 89 64.209 62.765 1.444 1
1 1004 . 17 1 1 A 89 89 SER C C 89 174.100 175.359 -1.259 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.146 44.538 0.608 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.966 4.156 -0.190 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.966 4.157 -0.191 1
1 4 . 18 1 1 A 7 7 GLY C C 7 173.687 171.754 1.933 1
1 5 . 18 1 1 A 8 8 LYS N N 8 122.140 118.605 3.535 1
1 6 . 18 1 1 A 8 8 LYS H H 8 8.107 8.544 -0.437 1
1 7 . 18 1 1 A 8 8 LYS CA C 8 54.053 54.276 -0.223 1
1 8 . 18 1 1 A 8 8 LYS HA H 8 4.620 4.969 -0.349 1
1 9 . 18 1 1 A 8 8 LYS CB C 8 32.649 35.715 -3.066 1
1 21 . 18 1 1 A 8 8 LYS C C 8 174.270 173.548 0.722 1
1 22 . 18 1 1 A 9 9 PRO CA C 9 61.632 61.671 -0.039 1
1 23 . 18 1 1 A 9 9 PRO HA H 9 4.687 4.633 0.054 1
1 24 . 18 1 1 A 9 9 PRO CB C 9 30.855 31.604 -0.749 1
1 33 . 18 1 1 A 10 10 PRO CA C 10 62.942 62.674 0.268 1
1 34 . 18 1 1 A 10 10 PRO HA H 10 4.473 4.722 -0.249 1
1 35 . 18 1 1 A 10 10 PRO CB C 10 32.197 31.070 1.127 1
1 44 . 18 1 1 A 11 11 THR N N 11 128.434 118.900 9.534 1
1 45 . 18 1 1 A 11 11 THR H H 11 8.172 8.410 -0.238 1
1 46 . 18 1 1 A 11 11 THR CA C 11 61.644 60.358 1.286 1
1 47 . 18 1 1 A 11 11 THR HA H 11 4.357 4.600 -0.243 1
1 48 . 18 1 1 A 11 11 THR CB C 11 70.204 70.973 -0.769 1
1 54 . 18 1 1 A 12 12 TYR N N 12 120.312 126.764 -6.452 1
1 55 . 18 1 1 A 12 12 TYR H H 12 8.033 9.063 -1.030 1
1 56 . 18 1 1 A 12 12 TYR CA C 12 56.633 58.635 -2.002 1
1 57 . 18 1 1 A 12 12 TYR HA H 12 4.967 4.175 0.792 1
1 58 . 18 1 1 A 12 12 TYR CB C 12 40.403 36.527 3.876 1
1 69 . 18 1 1 A 13 13 GLN H H 13 8.634 7.906 0.728 1
1 70 . 18 1 1 A 13 13 GLN CA C 13 54.519 56.447 -1.928 1
1 71 . 18 1 1 A 13 13 GLN HA H 13 4.626 4.338 0.288 1
1 72 . 18 1 1 A 13 13 GLN CB C 13 31.183 28.384 2.799 1
1 81 . 18 1 1 A 14 14 VAL N N 14 124.270 118.653 5.617 1
1 82 . 18 1 1 A 14 14 VAL H H 14 8.773 7.407 1.366 1
1 83 . 18 1 1 A 14 14 VAL CA C 14 62.977 65.567 -2.590 1
1 84 . 18 1 1 A 14 14 VAL HA H 14 4.018 2.842 1.176 1
1 85 . 18 1 1 A 14 14 VAL CB C 14 32.909 31.152 1.757 1
1 95 . 18 1 1 A 15 15 LEU N N 15 128.403 120.662 7.741 1
1 96 . 18 1 1 A 15 15 LEU H H 15 8.726 7.202 1.524 1
1 97 . 18 1 1 A 15 15 LEU CA C 15 55.620 55.033 0.587 1
1 98 . 18 1 1 A 15 15 LEU HA H 15 4.412 4.213 0.199 1
1 99 . 18 1 1 A 15 15 LEU CB C 15 42.580 42.651 -0.071 1
1 112 . 18 1 1 A 16 16 GLU H H 16 8.687 9.090 -0.403 1
1 113 . 18 1 1 A 16 16 GLU CA C 16 55.492 57.911 -2.419 1
1 114 . 18 1 1 A 16 16 GLU HA H 16 4.401 4.066 0.335 1
1 115 . 18 1 1 A 16 16 GLU CB C 16 32.409 29.464 2.945 1
1 120 . 18 1 1 A 17 17 TYR N N 17 124.726 119.407 5.319 1
1 121 . 18 1 1 A 17 17 TYR H H 17 8.505 7.814 0.691 1
1 122 . 18 1 1 A 17 17 TYR CA C 17 58.490 56.416 2.074 1
1 123 . 18 1 1 A 17 17 TYR HA H 17 4.598 4.747 -0.149 1
1 124 . 18 1 1 A 17 17 TYR CB C 17 38.814 40.655 -1.841 1
1 135 . 18 1 1 A 18 18 GLY N N 18 106.652 111.259 -4.607 1
1 136 . 18 1 1 A 18 18 GLY H H 18 9.176 8.074 1.102 1
1 137 . 18 1 1 A 18 18 GLY CA C 18 43.947 44.544 -0.597 1
1 138 . 18 1 1 A 18 18 GLY HA2 H 18 3.646 4.028 -0.382 1
1 139 . 18 1 1 A 18 18 GLY HA3 H 18 4.287 4.044 0.243 1
1 140 . 18 1 1 A 19 19 GLU N N 19 122.571 121.139 1.432 1
1 141 . 18 1 1 A 19 19 GLU H H 19 9.450 8.747 0.703 1
1 142 . 18 1 1 A 19 19 GLU CA C 19 56.496 55.027 1.469 1
1 143 . 18 1 1 A 19 19 GLU HA H 19 5.218 5.270 -0.052 1
1 144 . 18 1 1 A 19 19 GLU CB C 19 34.419 33.559 0.860 1
1 149 . 18 1 1 A 19 19 GLU C C 19 173.496 174.982 -1.486 1
1 150 . 18 1 1 A 20 20 ALA N N 20 125.442 126.845 -1.403 1
1 151 . 18 1 1 A 20 20 ALA H H 20 8.813 8.636 0.177 1
1 152 . 18 1 1 A 20 20 ALA CA C 20 50.154 50.981 -0.827 1
1 153 . 18 1 1 A 20 20 ALA HA H 20 5.132 5.149 -0.017 1
1 154 . 18 1 1 A 20 20 ALA CB C 20 24.742 23.510 1.232 1
1 158 . 18 1 1 A 20 20 ALA C C 20 174.555 175.356 -0.801 1
1 159 . 18 1 1 A 21 21 VAL N N 21 117.729 119.656 -1.927 1
1 160 . 18 1 1 A 21 21 VAL H H 21 8.118 8.721 -0.603 1
1 161 . 18 1 1 A 21 21 VAL CA C 21 60.211 60.089 0.122 1
1 162 . 18 1 1 A 21 21 VAL HA H 21 4.478 4.417 0.061 1
1 163 . 18 1 1 A 21 21 VAL CB C 21 34.751 34.744 0.007 1
1 173 . 18 1 1 A 21 21 VAL C C 21 176.351 175.002 1.349 1
1 174 . 18 1 1 A 22 22 ALA N N 22 130.024 129.540 0.484 1
1 175 . 18 1 1 A 22 22 ALA H H 22 8.689 8.461 0.228 1
1 176 . 18 1 1 A 22 22 ALA CA C 22 53.496 53.042 0.454 1
1 177 . 18 1 1 A 22 22 ALA HA H 22 4.170 4.243 -0.073 1
1 178 . 18 1 1 A 22 22 ALA CB C 22 20.793 19.133 1.660 1
1 182 . 18 1 1 A 22 22 ALA C C 22 178.156 176.792 1.364 1
1 183 . 18 1 1 A 23 23 GLN N N 23 126.904 121.129 5.775 1
1 184 . 18 1 1 A 23 23 GLN H H 23 9.442 8.860 0.582 1
1 185 . 18 1 1 A 23 23 GLN CA C 23 55.611 56.686 -1.075 1
1 186 . 18 1 1 A 23 23 GLN HA H 23 4.202 4.535 -0.333 1
1 187 . 18 1 1 A 23 23 GLN CB C 23 30.345 31.319 -0.974 1
1 196 . 18 1 1 A 23 23 GLN C C 23 173.200 175.524 -2.324 1
1 197 . 18 1 1 A 24 24 TYR N N 24 115.157 117.461 -2.304 1
1 198 . 18 1 1 A 24 24 TYR H H 24 7.696 7.578 0.118 1
1 199 . 18 1 1 A 24 24 TYR CA C 24 55.303 56.803 -1.500 1
1 200 . 18 1 1 A 24 24 TYR HA H 24 4.847 5.286 -0.439 1
1 201 . 18 1 1 A 24 24 TYR CB C 24 43.087 42.407 0.680 1
1 212 . 18 1 1 A 24 24 TYR C C 24 173.829 175.740 -1.911 1
1 213 . 18 1 1 A 25 25 THR N N 25 118.997 119.462 -0.465 1
1 214 . 18 1 1 A 25 25 THR H H 25 8.697 9.049 -0.352 1
1 215 . 18 1 1 A 25 25 THR CA C 25 63.201 63.594 -0.393 1
1 216 . 18 1 1 A 25 25 THR HA H 25 4.483 4.469 0.014 1
1 217 . 18 1 1 A 25 25 THR CB C 25 70.228 68.923 1.305 1
1 223 . 18 1 1 A 25 25 THR C C 25 173.214 174.011 -0.797 1
1 224 . 18 1 1 A 26 26 PHE N N 26 129.691 126.891 2.800 1
1 225 . 18 1 1 A 26 26 PHE H H 26 8.460 8.675 -0.215 1
1 226 . 18 1 1 A 26 26 PHE CA C 26 55.887 56.488 -0.601 1
1 227 . 18 1 1 A 26 26 PHE HA H 26 4.631 5.169 -0.538 1
1 228 . 18 1 1 A 26 26 PHE CB C 26 42.134 41.431 0.703 1
1 241 . 18 1 1 A 26 26 PHE C C 26 173.089 173.887 -0.798 1
1 242 . 18 1 1 A 27 27 LYS N N 27 129.755 125.325 4.430 1
1 243 . 18 1 1 A 27 27 LYS H H 27 7.879 7.084 0.795 1
1 244 . 18 1 1 A 27 27 LYS CA C 27 54.562 54.674 -0.112 1
1 245 . 18 1 1 A 27 27 LYS HA H 27 4.023 4.710 -0.687 1
1 246 . 18 1 1 A 27 27 LYS CB C 27 32.490 35.508 -3.018 1
1 258 . 18 1 1 A 27 27 LYS C C 27 174.852 174.721 0.131 1
1 259 . 18 1 1 A 28 28 GLY N N 28 113.171 112.765 0.406 1
1 260 . 18 1 1 A 28 28 GLY H H 28 7.726 8.415 -0.689 1
1 261 . 18 1 1 A 28 28 GLY CA C 28 45.922 45.074 0.848 1
1 262 . 18 1 1 A 28 28 GLY HA2 H 28 3.151 4.347 -1.196 1
1 263 . 18 1 1 A 28 28 GLY HA3 H 28 3.619 4.531 -0.912 1
1 264 . 18 1 1 A 28 28 GLY C C 28 173.250 173.573 -0.323 1
1 265 . 18 1 1 A 29 29 ASP N N 29 121.578 120.960 0.618 1
1 266 . 18 1 1 A 29 29 ASP H H 29 8.743 8.797 -0.054 1
1 267 . 18 1 1 A 29 29 ASP CA C 29 55.162 54.794 0.368 1
1 268 . 18 1 1 A 29 29 ASP HA H 29 4.616 4.785 -0.169 1
1 269 . 18 1 1 A 29 29 ASP CB C 29 42.815 42.967 -0.152 1
1 272 . 18 1 1 A 29 29 ASP C C 29 176.583 176.334 0.249 1
1 273 . 18 1 1 A 30 30 LEU N N 30 119.139 120.548 -1.409 1
1 274 . 18 1 1 A 30 30 LEU H H 30 8.069 7.596 0.473 1
1 275 . 18 1 1 A 30 30 LEU CA C 30 54.174 55.130 -0.956 1
1 276 . 18 1 1 A 30 30 LEU HA H 30 4.585 4.256 0.329 1
1 277 . 18 1 1 A 30 30 LEU CB C 30 44.109 42.311 1.798 1
1 290 . 18 1 1 A 30 30 LEU C C 30 179.241 177.854 1.387 1
1 291 . 18 1 1 A 31 31 GLU N N 31 122.182 124.481 -2.299 1
1 292 . 18 1 1 A 31 31 GLU H H 31 8.905 9.120 -0.215 1
1 293 . 18 1 1 A 31 31 GLU CA C 31 59.392 60.150 -0.758 1
1 294 . 18 1 1 A 31 31 GLU HA H 31 4.151 3.933 0.218 1
1 295 . 18 1 1 A 31 31 GLU CB C 31 29.605 29.782 -0.177 1
1 301 . 18 1 1 A 31 31 GLU C C 31 177.520 178.190 -0.670 1
1 302 . 18 1 1 A 32 32 VAL N N 32 108.281 116.853 -8.572 1
1 303 . 18 1 1 A 32 32 VAL H H 32 7.186 7.862 -0.676 1
1 304 . 18 1 1 A 32 32 VAL CA C 32 61.950 65.337 -3.387 1
1 305 . 18 1 1 A 32 32 VAL HA H 32 4.365 4.001 0.364 1
1 306 . 18 1 1 A 32 32 VAL CB C 32 32.222 31.431 0.791 1
1 316 . 18 1 1 A 32 32 VAL C C 32 176.602 176.362 0.240 1
1 317 . 18 1 1 A 33 33 GLU N N 33 120.835 122.540 -1.705 1
1 318 . 18 1 1 A 33 33 GLU H H 33 7.751 8.051 -0.300 1
1 319 . 18 1 1 A 33 33 GLU CA C 33 55.560 55.858 -0.298 1
1 320 . 18 1 1 A 33 33 GLU HA H 33 5.106 4.683 0.423 1
1 321 . 18 1 1 A 33 33 GLU CB C 33 31.354 29.764 1.590 1
1 327 . 18 1 1 A 33 33 GLU C C 33 176.180 175.622 0.558 1
1 328 . 18 1 1 A 34 34 LEU N N 34 126.568 128.806 -2.238 1
1 329 . 18 1 1 A 34 34 LEU H H 34 9.073 8.716 0.357 1
1 330 . 18 1 1 A 34 34 LEU CA C 34 53.385 55.199 -1.814 1
1 331 . 18 1 1 A 34 34 LEU HA H 34 4.481 4.842 -0.361 1
1 332 . 18 1 1 A 34 34 LEU CB C 34 44.305 44.130 0.175 1
1 345 . 18 1 1 A 34 34 LEU C C 34 173.373 175.052 -1.679 1
1 346 . 18 1 1 A 35 35 SER N N 35 116.987 123.818 -6.831 1
1 347 . 18 1 1 A 35 35 SER H H 35 7.561 8.869 -1.308 1
1 348 . 18 1 1 A 35 35 SER CA C 35 58.335 57.247 1.088 1
1 349 . 18 1 1 A 35 35 SER HA H 35 4.569 5.481 -0.912 1
1 350 . 18 1 1 A 35 35 SER CB C 35 64.536 65.841 -1.305 1
1 353 . 18 1 1 A 35 35 SER C C 35 174.513 173.422 1.091 1
1 354 . 18 1 1 A 36 36 PHE N N 36 117.028 119.988 -2.960 1
1 355 . 18 1 1 A 36 36 PHE H H 36 8.339 8.448 -0.109 1
1 356 . 18 1 1 A 36 36 PHE CA C 36 55.938 56.555 -0.617 1
1 357 . 18 1 1 A 36 36 PHE HA H 36 4.647 5.129 -0.482 1
1 358 . 18 1 1 A 36 36 PHE CB C 36 39.959 40.018 -0.059 1
1 371 . 18 1 1 A 36 36 PHE C C 36 174.055 172.498 1.557 1
1 372 . 18 1 1 A 37 37 ARG N N 37 120.296 120.125 0.171 1
1 373 . 18 1 1 A 37 37 ARG H H 37 9.859 8.595 1.264 1
1 374 . 18 1 1 A 37 37 ARG CA C 37 53.915 54.138 -0.223 1
1 375 . 18 1 1 A 37 37 ARG HA H 37 4.929 4.990 -0.061 1
1 376 . 18 1 1 A 37 37 ARG CB C 37 32.735 32.860 -0.125 1
1 385 . 18 1 1 A 37 37 ARG C C 37 175.793 175.801 -0.008 1
1 386 . 18 1 1 A 38 38 LYS N N 38 121.649 123.516 -1.867 1
1 387 . 18 1 1 A 38 38 LYS H H 38 7.938 8.276 -0.338 1
1 388 . 18 1 1 A 38 38 LYS CA C 38 58.880 58.314 0.566 1
1 389 . 18 1 1 A 38 38 LYS HA H 38 3.291 3.961 -0.670 1
1 390 . 18 1 1 A 38 38 LYS CB C 38 32.755 32.255 0.500 1
1 402 . 18 1 1 A 38 38 LYS C C 38 176.459 177.439 -0.980 1
1 403 . 18 1 1 A 39 39 GLY N N 39 114.431 114.979 -0.548 1
1 404 . 18 1 1 A 39 39 GLY H H 39 8.618 9.260 -0.642 1
1 405 . 18 1 1 A 39 39 GLY CA C 39 44.652 45.059 -0.407 1
1 406 . 18 1 1 A 39 39 GLY HA2 H 39 3.438 3.986 -0.548 1
1 407 . 18 1 1 A 39 39 GLY HA3 H 39 4.399 4.006 0.393 1
1 408 . 18 1 1 A 39 39 GLY C C 39 174.586 174.133 0.453 1
1 409 . 18 1 1 A 40 40 GLU N N 40 119.554 121.309 -1.755 1
1 410 . 18 1 1 A 40 40 GLU H H 40 7.931 8.017 -0.086 1
1 411 . 18 1 1 A 40 40 GLU CA C 40 59.197 57.364 1.833 1
1 412 . 18 1 1 A 40 40 GLU HA H 40 4.272 4.374 -0.102 1
1 413 . 18 1 1 A 40 40 GLU CB C 40 30.759 30.795 -0.036 1
1 419 . 18 1 1 A 40 40 GLU C C 40 175.278 175.191 0.087 1
1 420 . 18 1 1 A 41 41 HIS N N 41 121.677 119.443 2.234 1
1 421 . 18 1 1 A 41 41 HIS H H 41 8.837 9.023 -0.186 1
1 422 . 18 1 1 A 41 41 HIS CA C 41 56.432 54.535 1.897 1
1 423 . 18 1 1 A 41 41 HIS HA H 41 4.817 5.021 -0.204 1
1 424 . 18 1 1 A 41 41 HIS CB C 41 30.260 30.546 -0.286 1
1 431 . 18 1 1 A 41 41 HIS C C 41 174.622 174.107 0.515 1
1 432 . 18 1 1 A 42 42 ILE N N 42 123.889 124.596 -0.707 1
1 433 . 18 1 1 A 42 42 ILE H H 42 8.753 8.701 0.052 1
1 434 . 18 1 1 A 42 42 ILE CA C 42 60.433 60.096 0.337 1
1 435 . 18 1 1 A 42 42 ILE HA H 42 4.079 4.432 -0.353 1
1 436 . 18 1 1 A 42 42 ILE CB C 42 42.258 38.340 3.918 1
1 449 . 18 1 1 A 42 42 ILE C C 42 174.377 175.448 -1.071 1
1 450 . 18 1 1 A 43 43 CYS N N 43 127.431 127.678 -0.247 1
1 451 . 18 1 1 A 43 43 CYS H H 43 8.877 8.862 0.015 1
1 452 . 18 1 1 A 43 43 CYS CA C 43 57.909 59.428 -1.519 1
1 453 . 18 1 1 A 43 43 CYS HA H 43 4.654 4.526 0.128 1
1 454 . 18 1 1 A 43 43 CYS CB C 43 26.650 28.367 -1.717 1
1 457 . 18 1 1 A 43 43 CYS C C 43 174.875 174.679 0.196 1
1 458 . 18 1 1 A 44 44 LEU N N 44 126.732 126.738 -0.006 1
1 459 . 18 1 1 A 44 44 LEU H H 44 7.724 8.498 -0.774 1
1 460 . 18 1 1 A 44 44 LEU CA C 44 53.741 54.161 -0.420 1
1 461 . 18 1 1 A 44 44 LEU HA H 44 4.546 4.682 -0.136 1
1 462 . 18 1 1 A 44 44 LEU CB C 44 43.286 41.586 1.700 1
1 475 . 18 1 1 A 44 44 LEU C C 44 175.004 176.197 -1.193 1
1 476 . 18 1 1 A 45 45 ILE N N 45 125.519 126.464 -0.945 1
1 477 . 18 1 1 A 45 45 ILE H H 45 9.058 8.351 0.707 1
1 478 . 18 1 1 A 45 45 ILE CA C 45 63.488 63.491 -0.003 1
1 479 . 18 1 1 A 45 45 ILE HA H 45 4.121 3.804 0.317 1
1 480 . 18 1 1 A 45 45 ILE CB C 45 39.808 38.511 1.297 1
1 493 . 18 1 1 A 46 46 ARG N N 46 105.448 119.471 -14.023 1
1 494 . 18 1 1 A 46 46 ARG H H 46 7.377 7.789 -0.412 1
1 495 . 18 1 1 A 46 46 ARG CA C 46 54.848 54.717 0.131 1
1 496 . 18 1 1 A 46 46 ARG HA H 46 4.576 4.772 -0.196 1
1 497 . 18 1 1 A 46 46 ARG CB C 46 32.078 33.605 -1.527 1
1 508 . 18 1 1 A 46 46 ARG C C 46 174.353 174.377 -0.024 1
1 509 . 18 1 1 A 47 47 LYS N N 47 124.397 127.192 -2.795 1
1 510 . 18 1 1 A 47 47 LYS H H 47 9.254 8.681 0.573 1
1 511 . 18 1 1 A 47 47 LYS CA C 47 56.832 56.184 0.648 1
1 512 . 18 1 1 A 47 47 LYS HA H 47 4.353 4.510 -0.157 1
1 513 . 18 1 1 A 47 47 LYS CB C 47 32.868 32.100 0.768 1
1 525 . 18 1 1 A 47 47 LYS C C 47 176.540 176.125 0.415 1
1 526 . 18 1 1 A 48 48 VAL N N 48 126.203 127.675 -1.472 1
1 527 . 18 1 1 A 48 48 VAL H H 48 8.289 8.892 -0.603 1
1 528 . 18 1 1 A 48 48 VAL CA C 48 63.966 64.937 -0.971 1
1 529 . 18 1 1 A 48 48 VAL HA H 48 3.784 3.711 0.073 1
1 530 . 18 1 1 A 48 48 VAL CB C 48 33.030 31.872 1.158 1
1 540 . 18 1 1 A 48 48 VAL C C 48 175.547 176.187 -0.640 1
1 541 . 18 1 1 A 49 49 ASN N N 49 115.717 116.275 -0.558 1
1 542 . 18 1 1 A 49 49 ASN H H 49 8.167 7.979 0.188 1
1 543 . 18 1 1 A 49 49 ASN CA C 49 52.768 51.974 0.794 1
1 544 . 18 1 1 A 49 49 ASN HA H 49 4.428 5.002 -0.574 1
1 545 . 18 1 1 A 49 49 ASN CB C 49 37.683 42.526 -4.843 1
1 551 . 18 1 1 A 49 49 ASN C C 49 174.537 175.246 -0.709 1
1 552 . 18 1 1 A 50 50 GLU N N 50 114.361 121.065 -6.704 1
1 553 . 18 1 1 A 50 50 GLU H H 50 8.781 8.961 -0.180 1
1 554 . 18 1 1 A 50 50 GLU CA C 50 59.835 58.386 1.449 1
1 555 . 18 1 1 A 50 50 GLU HA H 50 3.947 3.949 -0.002 1
1 556 . 18 1 1 A 50 50 GLU CB C 50 29.534 28.814 0.720 1
1 562 . 18 1 1 A 50 50 GLU C C 50 176.796 176.246 0.550 1
1 563 . 18 1 1 A 51 51 ASN N N 51 112.673 116.121 -3.448 1
1 564 . 18 1 1 A 51 51 ASN H H 51 8.535 7.852 0.683 1
1 565 . 18 1 1 A 51 51 ASN CA C 51 53.328 53.782 -0.454 1
1 566 . 18 1 1 A 51 51 ASN HA H 51 4.968 4.785 0.183 1
1 567 . 18 1 1 A 51 51 ASN CB C 51 41.171 40.761 0.410 1
1 573 . 18 1 1 A 51 51 ASN C C 51 174.756 174.667 0.089 1
1 574 . 18 1 1 A 52 52 TRP N N 52 121.399 118.617 2.782 1
1 575 . 18 1 1 A 52 52 TRP H H 52 7.726 7.675 0.051 1
1 576 . 18 1 1 A 52 52 TRP CA C 52 57.485 55.020 2.465 1
1 577 . 18 1 1 A 52 52 TRP HA H 52 5.072 5.238 -0.166 1
1 578 . 18 1 1 A 52 52 TRP CB C 52 31.703 32.434 -0.731 1
1 593 . 18 1 1 A 52 52 TRP C C 52 174.756 174.496 0.260 1
1 594 . 18 1 1 A 53 53 TYR N N 53 118.564 122.865 -4.301 1
1 595 . 18 1 1 A 53 53 TYR H H 53 8.443 9.320 -0.877 1
1 596 . 18 1 1 A 53 53 TYR CA C 53 57.305 56.351 0.954 1
1 597 . 18 1 1 A 53 53 TYR HA H 53 4.978 4.892 0.086 1
1 598 . 18 1 1 A 53 53 TYR CB C 53 44.030 41.499 2.531 1
1 609 . 18 1 1 A 53 53 TYR C C 53 174.045 173.786 0.259 1
1 610 . 18 1 1 A 54 54 GLU N N 54 117.557 123.492 -5.935 1
1 611 . 18 1 1 A 54 54 GLU H H 54 8.906 8.422 0.484 1
1 612 . 18 1 1 A 54 54 GLU CA C 54 54.986 54.562 0.424 1
1 613 . 18 1 1 A 54 54 GLU HA H 54 5.059 4.904 0.155 1
1 614 . 18 1 1 A 54 54 GLU CB C 54 32.458 32.974 -0.516 1
1 620 . 18 1 1 A 54 54 GLU C C 54 176.438 175.703 0.735 1
1 621 . 18 1 1 A 55 55 GLY N N 55 114.051 112.911 1.140 1
1 622 . 18 1 1 A 55 55 GLY H H 55 9.556 8.411 1.145 1
1 623 . 18 1 1 A 55 55 GLY CA C 55 45.816 45.799 0.017 1
1 624 . 18 1 1 A 55 55 GLY HA2 H 55 5.166 4.517 0.649 1
1 625 . 18 1 1 A 55 55 GLY HA3 H 55 3.929 4.696 -0.767 1
1 626 . 18 1 1 A 55 55 GLY C C 55 169.584 172.689 -3.105 1
1 627 . 18 1 1 A 56 56 ARG N N 56 116.523 117.202 -0.679 1
1 628 . 18 1 1 A 56 56 ARG H H 56 9.093 8.787 0.306 1
1 629 . 18 1 1 A 56 56 ARG CA C 56 53.977 54.188 -0.211 1
1 630 . 18 1 1 A 56 56 ARG HA H 56 5.528 5.310 0.218 1
1 631 . 18 1 1 A 56 56 ARG CB C 56 34.963 34.592 0.371 1
1 640 . 18 1 1 A 56 56 ARG C C 56 174.325 174.358 -0.033 1
1 641 . 18 1 1 A 57 57 ILE N N 57 123.690 122.409 1.281 1
1 642 . 18 1 1 A 57 57 ILE H H 57 8.230 8.895 -0.665 1
1 643 . 18 1 1 A 57 57 ILE CA C 57 59.706 60.629 -0.923 1
1 644 . 18 1 1 A 57 57 ILE HA H 57 4.585 4.517 0.068 1
1 645 . 18 1 1 A 57 57 ILE CB C 57 35.623 38.313 -2.690 1
1 658 . 18 1 1 A 57 57 ILE C C 57 177.239 175.811 1.428 1
1 659 . 18 1 1 A 58 58 THR N N 58 112.797 123.136 -10.339 1
1 660 . 18 1 1 A 58 58 THR H H 58 8.805 8.637 0.168 1
1 661 . 18 1 1 A 58 58 THR CA C 58 65.598 63.636 1.962 1
1 662 . 18 1 1 A 58 58 THR HA H 58 3.857 4.083 -0.226 1
1 663 . 18 1 1 A 58 58 THR CB C 58 68.553 68.614 -0.061 1
1 669 . 18 1 1 A 59 59 GLY CA C 59 45.463 45.258 0.205 1
1 670 . 18 1 1 A 59 59 GLY HA2 H 59 3.834 3.986 -0.152 1
1 671 . 18 1 1 A 59 59 GLY HA3 H 59 4.266 3.987 0.279 1
1 672 . 18 1 1 A 59 59 GLY C C 59 174.543 173.769 0.774 1
1 673 . 18 1 1 A 60 60 THR N N 60 108.632 110.926 -2.294 1
1 674 . 18 1 1 A 60 60 THR H H 60 7.779 7.964 -0.185 1
1 675 . 18 1 1 A 60 60 THR CA C 60 61.017 59.523 1.494 1
1 676 . 18 1 1 A 60 60 THR HA H 60 4.892 4.855 0.037 1
1 677 . 18 1 1 A 60 60 THR CB C 60 72.426 72.009 0.417 1
1 683 . 18 1 1 A 60 60 THR C C 60 175.144 175.675 -0.531 1
1 684 . 18 1 1 A 61 61 GLY CA C 61 45.320 46.550 -1.230 1
1 685 . 18 1 1 A 61 61 GLY HA2 H 61 3.930 3.880 0.050 1
1 686 . 18 1 1 A 61 61 GLY HA3 H 61 4.183 3.881 0.302 1
1 687 . 18 1 1 A 61 61 GLY C C 61 174.641 174.943 -0.302 1
1 688 . 18 1 1 A 62 62 ARG N N 62 121.575 120.568 1.007 1
1 689 . 18 1 1 A 62 62 ARG H H 62 8.229 7.725 0.504 1
1 690 . 18 1 1 A 62 62 ARG CA C 62 56.440 57.189 -0.749 1
1 691 . 18 1 1 A 62 62 ARG HA H 62 4.380 4.275 0.105 1
1 692 . 18 1 1 A 62 62 ARG CB C 62 30.667 31.036 -0.369 1
1 701 . 18 1 1 A 62 62 ARG C C 62 174.530 176.077 -1.547 1
1 702 . 18 1 1 A 63 63 GLN N N 63 124.206 123.506 0.700 1
1 703 . 18 1 1 A 63 63 GLN H H 63 8.473 8.613 -0.140 1
1 704 . 18 1 1 A 63 63 GLN CA C 63 54.768 55.446 -0.678 1
1 705 . 18 1 1 A 63 63 GLN HA H 63 5.449 4.948 0.501 1
1 706 . 18 1 1 A 63 63 GLN CB C 63 32.243 32.117 0.126 1
1 715 . 18 1 1 A 63 63 GLN C C 63 174.555 174.751 -0.196 1
1 716 . 18 1 1 A 64 64 GLY N N 64 111.132 111.825 -0.693 1
1 717 . 18 1 1 A 64 64 GLY H H 64 8.962 8.197 0.765 1
1 718 . 18 1 1 A 64 64 GLY CA C 64 45.780 45.981 -0.201 1
1 719 . 18 1 1 A 64 64 GLY HA2 H 64 4.498 4.251 0.247 1
1 720 . 18 1 1 A 64 64 GLY HA3 H 64 4.351 4.301 0.050 1
1 721 . 18 1 1 A 64 64 GLY C C 64 172.117 172.374 -0.257 1
1 722 . 18 1 1 A 65 65 ILE N N 65 114.051 116.621 -2.570 1
1 723 . 18 1 1 A 65 65 ILE H H 65 8.824 8.632 0.192 1
1 724 . 18 1 1 A 65 65 ILE CA C 65 59.949 59.998 -0.049 1
1 725 . 18 1 1 A 65 65 ILE HA H 65 6.195 4.643 1.552 1
1 726 . 18 1 1 A 65 65 ILE CB C 65 41.669 39.541 2.128 1
1 739 . 18 1 1 A 65 65 ILE C C 65 176.874 175.718 1.156 1
1 740 . 18 1 1 A 66 66 PHE N N 66 116.902 118.604 -1.702 1
1 741 . 18 1 1 A 66 66 PHE H H 66 8.770 8.680 0.090 1
1 742 . 18 1 1 A 66 66 PHE CA C 66 56.114 55.213 0.901 1
1 743 . 18 1 1 A 66 66 PHE HA H 66 4.952 4.876 0.076 1
1 744 . 18 1 1 A 66 66 PHE CB C 66 38.504 39.423 -0.919 1
1 757 . 18 1 1 A 66 66 PHE C C 66 170.992 171.754 -0.762 1
1 758 . 18 1 1 A 67 67 PRO CA C 67 61.161 62.739 -1.578 1
1 759 . 18 1 1 A 67 67 PRO HA H 67 3.678 4.364 -0.686 1
1 760 . 18 1 1 A 67 67 PRO CB C 67 30.788 31.831 -1.043 1
1 769 . 18 1 1 A 67 67 PRO C C 67 177.819 177.607 0.212 1
1 770 . 18 1 1 A 68 68 ALA N N 68 126.195 128.331 -2.136 1
1 771 . 18 1 1 A 68 68 ALA H H 68 8.458 8.571 -0.113 1
1 772 . 18 1 1 A 68 68 ALA CA C 68 54.676 55.527 -0.851 1
1 773 . 18 1 1 A 68 68 ALA HA H 68 4.008 4.260 -0.252 1
1 774 . 18 1 1 A 68 68 ALA CB C 68 18.986 18.580 0.406 1
1 778 . 18 1 1 A 68 68 ALA C C 68 178.933 179.667 -0.734 1
1 779 . 18 1 1 A 69 69 SER N N 69 110.156 112.645 -2.489 1
1 780 . 18 1 1 A 69 69 SER H H 69 8.370 8.431 -0.061 1
1 781 . 18 1 1 A 69 69 SER CA C 69 60.250 61.030 -0.780 1
1 782 . 18 1 1 A 69 69 SER HA H 69 4.265 4.161 0.104 1
1 783 . 18 1 1 A 69 69 SER CB C 69 62.718 63.038 -0.320 1
1 786 . 18 1 1 A 69 69 SER C C 69 175.748 176.139 -0.391 1
1 787 . 18 1 1 A 70 70 TYR N N 70 119.475 118.215 1.260 1
1 788 . 18 1 1 A 70 70 TYR H H 70 7.728 7.608 0.120 1
1 789 . 18 1 1 A 70 70 TYR CA C 70 60.061 60.085 -0.024 1
1 790 . 18 1 1 A 70 70 TYR HA H 70 4.620 4.499 0.121 1
1 791 . 18 1 1 A 70 70 TYR CB C 70 39.039 39.586 -0.547 1
1 802 . 18 1 1 A 70 70 TYR C C 70 176.140 176.313 -0.173 1
1 803 . 18 1 1 A 71 71 VAL N N 71 110.320 115.589 -5.269 1
1 804 . 18 1 1 A 71 71 VAL H H 71 8.064 7.820 0.244 1
1 805 . 18 1 1 A 71 71 VAL CA C 71 58.737 59.744 -1.007 1
1 806 . 18 1 1 A 71 71 VAL HA H 71 5.073 4.601 0.472 1
1 807 . 18 1 1 A 71 71 VAL CB C 71 35.550 34.196 1.354 1
1 817 . 18 1 1 A 71 71 VAL C C 71 173.044 174.013 -0.969 1
1 818 . 18 1 1 A 72 72 GLN N N 72 119.621 121.162 -1.541 1
1 819 . 18 1 1 A 72 72 GLN H H 72 8.448 9.078 -0.630 1
1 820 . 18 1 1 A 72 72 GLN CA C 72 54.351 54.048 0.303 1
1 821 . 18 1 1 A 72 72 GLN HA H 72 4.724 4.972 -0.248 1
1 822 . 18 1 1 A 72 72 GLN CB C 72 30.373 31.900 -1.527 1
1 831 . 18 1 1 A 72 72 GLN C C 72 176.050 174.564 1.486 1
1 832 . 18 1 1 A 73 73 VAL N N 73 130.439 127.758 2.681 1
1 833 . 18 1 1 A 73 73 VAL H H 73 9.369 8.939 0.430 1
1 834 . 18 1 1 A 73 73 VAL CA C 73 63.957 63.032 0.925 1
1 835 . 18 1 1 A 73 73 VAL HA H 73 3.856 3.915 -0.059 1
1 836 . 18 1 1 A 73 73 VAL CB C 73 32.616 31.165 1.451 1
1 846 . 18 1 1 A 73 73 VAL C C 73 176.043 175.647 0.396 1
1 847 . 18 1 1 A 74 74 SER N N 74 123.766 122.198 1.568 1
1 848 . 18 1 1 A 74 74 SER H H 74 8.708 8.571 0.137 1
1 849 . 18 1 1 A 74 74 SER CA C 74 58.930 59.631 -0.701 1
1 850 . 18 1 1 A 74 74 SER HA H 74 4.627 4.675 -0.048 1
1 851 . 18 1 1 A 74 74 SER CB C 74 63.548 64.834 -1.286 1
1 854 . 18 1 1 A 74 74 SER C C 74 174.821 174.870 -0.049 1
1 855 . 18 1 1 A 75 75 ARG N N 75 122.335 120.463 1.872 1
1 856 . 18 1 1 A 75 75 ARG H H 75 7.690 7.726 -0.036 1
1 857 . 18 1 1 A 75 75 ARG CA C 75 56.185 54.924 1.261 1
1 858 . 18 1 1 A 75 75 ARG HA H 75 4.526 4.712 -0.186 1
1 859 . 18 1 1 A 75 75 ARG CB C 75 33.734 32.271 1.463 1
1 868 . 18 1 1 A 75 75 ARG C C 75 174.824 174.765 0.059 1
1 869 . 18 1 1 A 76 76 GLU N N 76 126.797 126.453 0.344 1
1 870 . 18 1 1 A 76 76 GLU H H 76 8.916 8.524 0.392 1
1 871 . 18 1 1 A 76 76 GLU CA C 76 54.874 55.029 -0.155 1
1 872 . 18 1 1 A 76 76 GLU HA H 76 4.561 4.433 0.128 1
1 873 . 18 1 1 A 76 76 GLU CB C 76 28.925 29.203 -0.278 1
1 879 . 18 1 1 A 76 76 GLU C C 76 175.557 174.928 0.629 1
1 880 . 18 1 1 A 77 77 PRO CA C 77 62.726 62.263 0.463 1
1 881 . 18 1 1 A 77 77 PRO HA H 77 4.584 4.582 0.002 1
1 882 . 18 1 1 A 77 77 PRO CB C 77 32.153 33.219 -1.066 1
1 891 . 18 1 1 A 78 78 ARG N N 78 120.959 121.166 -0.207 1
1 892 . 18 1 1 A 78 78 ARG H H 78 8.814 8.907 -0.093 1
1 893 . 18 1 1 A 78 78 ARG CA C 78 55.491 59.114 -3.623 1
1 894 . 18 1 1 A 78 78 ARG HA H 78 4.743 3.936 0.807 1
1 895 . 18 1 1 A 78 78 ARG CB C 78 33.443 30.418 3.025 1
1 904 . 18 1 1 A 79 79 LEU N N 79 125.756 120.491 5.265 1
1 905 . 18 1 1 A 79 79 LEU H H 79 8.789 7.854 0.935 1
1 906 . 18 1 1 A 79 79 LEU CA C 79 54.346 55.905 -1.559 1
1 907 . 18 1 1 A 79 79 LEU HA H 79 5.007 3.910 1.097 1
1 908 . 18 1 1 A 79 79 LEU CB C 79 44.609 40.034 4.575 1
1 917 . 18 1 1 A 80 80 ARG N N 80 121.792 117.976 3.816 1
1 918 . 18 1 1 A 80 80 ARG H H 80 8.908 7.931 0.977 1
1 919 . 18 1 1 A 80 80 ARG CA C 80 54.966 58.726 -3.760 1
1 920 . 18 1 1 A 80 80 ARG HA H 80 4.611 4.125 0.486 1
1 921 . 18 1 1 A 80 80 ARG CB C 80 32.686 30.423 2.263 1
1 924 . 18 1 1 A 81 81 LEU N N 81 126.556 112.235 14.321 1
1 925 . 18 1 1 A 81 81 LEU H H 81 8.702 7.742 0.960 1
1 926 . 18 1 1 A 81 81 LEU CA C 81 55.199 53.833 1.366 1
1 927 . 18 1 1 A 81 81 LEU HA H 81 4.472 4.569 -0.097 1
1 928 . 18 1 1 A 81 81 LEU CB C 81 42.368 41.409 0.959 1
1 941 . 18 1 1 A 82 82 CYS N N 82 121.583 118.905 2.678 1
1 942 . 18 1 1 A 82 82 CYS H H 82 8.466 7.277 1.189 1
1 943 . 18 1 1 A 82 82 CYS CA C 82 58.583 58.779 -0.196 1
1 944 . 18 1 1 A 82 82 CYS HA H 82 4.475 4.369 0.106 1
1 945 . 18 1 1 A 82 82 CYS CB C 82 28.438 28.227 0.211 1
1 948 . 18 1 1 A 83 83 ASP N N 83 122.639 124.630 -1.991 1
1 949 . 18 1 1 A 83 83 ASP H H 83 8.400 8.849 -0.449 1
1 950 . 18 1 1 A 83 83 ASP CA C 83 54.210 57.154 -2.944 1
1 951 . 18 1 1 A 83 83 ASP HA H 83 4.654 4.495 0.159 1
1 952 . 18 1 1 A 83 83 ASP CB C 83 41.291 41.332 -0.041 1
1 955 . 18 1 1 A 83 83 ASP C C 83 175.900 175.765 0.135 1
1 956 . 18 1 1 A 84 84 ASP N N 84 121.113 116.542 4.571 1
1 957 . 18 1 1 A 84 84 ASP H H 84 8.310 7.557 0.753 1
1 958 . 18 1 1 A 84 84 ASP CA C 84 54.330 55.181 -0.851 1
1 959 . 18 1 1 A 84 84 ASP HA H 84 4.650 4.532 0.118 1
1 960 . 18 1 1 A 84 84 ASP CB C 84 41.283 40.330 0.953 1
1 963 . 18 1 1 A 84 84 ASP C C 84 176.407 176.185 0.222 1
1 964 . 18 1 1 A 85 85 SER N N 85 116.212 113.573 2.639 1
1 965 . 18 1 1 A 85 85 SER H H 85 8.332 8.771 -0.439 1
1 966 . 18 1 1 A 85 85 SER CA C 85 58.819 59.298 -0.479 1
1 967 . 18 1 1 A 85 85 SER HA H 85 4.438 4.056 0.382 1
1 968 . 18 1 1 A 85 85 SER CB C 85 63.961 61.733 2.228 1
1 971 . 18 1 1 A 85 85 SER C C 85 174.867 174.018 0.849 1
1 972 . 18 1 1 A 86 86 GLY N N 86 110.652 108.134 2.518 1
1 973 . 18 1 1 A 86 86 GLY H H 86 8.251 7.808 0.443 1
1 974 . 18 1 1 A 86 86 GLY CA C 86 44.758 44.785 -0.027 1
1 975 . 18 1 1 A 86 86 GLY HA2 H 86 4.109 4.027 0.082 1
1 976 . 18 1 1 A 86 86 GLY HA3 H 86 4.109 4.028 0.081 1
1 977 . 18 1 1 A 86 86 GLY C C 86 171.914 173.032 -1.118 1
1 978 . 18 1 1 A 87 87 PRO CA C 87 63.192 62.728 0.464 1
1 979 . 18 1 1 A 87 87 PRO HA H 87 4.484 4.599 -0.115 1
1 980 . 18 1 1 A 87 87 PRO CB C 87 32.243 32.578 -0.335 1
1 989 . 18 1 1 A 87 87 PRO C C 87 177.470 175.824 1.646 1
1 990 . 18 1 1 A 88 88 SER N N 88 116.433 114.334 2.099 1
1 991 . 18 1 1 A 88 88 SER H H 88 8.518 8.450 0.068 1
1 992 . 18 1 1 A 88 88 SER CA C 88 58.330 56.876 1.454 1
1 993 . 18 1 1 A 88 88 SER HA H 88 4.571 5.221 -0.650 1
1 994 . 18 1 1 A 88 88 SER CB C 88 63.896 65.771 -1.875 1
1 997 . 18 1 1 A 88 88 SER C C 88 174.747 173.334 1.413 1
1 998 . 18 1 1 A 89 89 SER N N 89 117.882 119.690 -1.808 1
1 999 . 18 1 1 A 89 89 SER H H 89 8.335 8.753 -0.418 1
1 1000 . 18 1 1 A 89 89 SER CA C 89 58.497 59.776 -1.279 1
1 1001 . 18 1 1 A 89 89 SER CB C 89 64.209 62.703 1.506 1
1 1004 . 18 1 1 A 89 89 SER C C 89 174.100 174.845 -0.745 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.146 45.719 -0.573 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.966 4.118 -0.152 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.966 4.120 -0.154 1
1 4 . 19 1 1 A 7 7 GLY C C 7 173.687 171.608 2.079 1
1 5 . 19 1 1 A 8 8 LYS N N 8 122.140 119.215 2.925 1
1 6 . 19 1 1 A 8 8 LYS H H 8 8.107 8.446 -0.339 1
1 7 . 19 1 1 A 8 8 LYS CA C 8 54.053 53.162 0.891 1
1 8 . 19 1 1 A 8 8 LYS HA H 8 4.620 4.853 -0.233 1
1 9 . 19 1 1 A 8 8 LYS CB C 8 32.649 35.374 -2.725 1
1 21 . 19 1 1 A 8 8 LYS C C 8 174.270 173.949 0.321 1
1 22 . 19 1 1 A 9 9 PRO CA C 9 61.632 62.511 -0.879 1
1 23 . 19 1 1 A 9 9 PRO HA H 9 4.687 4.594 0.093 1
1 24 . 19 1 1 A 9 9 PRO CB C 9 30.855 31.720 -0.865 1
1 33 . 19 1 1 A 10 10 PRO CA C 10 62.942 65.037 -2.095 1
1 34 . 19 1 1 A 10 10 PRO HA H 10 4.473 4.423 0.050 1
1 35 . 19 1 1 A 10 10 PRO CB C 10 32.197 32.211 -0.014 1
1 44 . 19 1 1 A 11 11 THR N N 11 128.434 113.025 15.409 1
1 45 . 19 1 1 A 11 11 THR H H 11 8.172 7.895 0.277 1
1 46 . 19 1 1 A 11 11 THR CA C 11 61.644 61.387 0.257 1
1 47 . 19 1 1 A 11 11 THR HA H 11 4.357 4.581 -0.224 1
1 48 . 19 1 1 A 11 11 THR CB C 11 70.204 69.374 0.830 1
1 54 . 19 1 1 A 12 12 TYR N N 12 120.312 128.330 -8.018 1
1 55 . 19 1 1 A 12 12 TYR H H 12 8.033 9.122 -1.089 1
1 56 . 19 1 1 A 12 12 TYR CA C 12 56.633 56.228 0.405 1
1 57 . 19 1 1 A 12 12 TYR HA H 12 4.967 4.814 0.153 1
1 58 . 19 1 1 A 12 12 TYR CB C 12 40.403 37.617 2.786 1
1 69 . 19 1 1 A 13 13 GLN H H 13 8.634 8.540 0.094 1
1 70 . 19 1 1 A 13 13 GLN CA C 13 54.519 57.160 -2.641 1
1 71 . 19 1 1 A 13 13 GLN HA H 13 4.626 4.648 -0.022 1
1 72 . 19 1 1 A 13 13 GLN CB C 13 31.183 29.890 1.293 1
1 81 . 19 1 1 A 14 14 VAL N N 14 124.270 119.341 4.929 1
1 82 . 19 1 1 A 14 14 VAL H H 14 8.773 7.939 0.834 1
1 83 . 19 1 1 A 14 14 VAL CA C 14 62.977 65.300 -2.323 1
1 84 . 19 1 1 A 14 14 VAL HA H 14 4.018 3.691 0.327 1
1 85 . 19 1 1 A 14 14 VAL CB C 14 32.909 31.475 1.434 1
1 95 . 19 1 1 A 15 15 LEU N N 15 128.403 119.197 9.206 1
1 96 . 19 1 1 A 15 15 LEU H H 15 8.726 7.594 1.132 1
1 97 . 19 1 1 A 15 15 LEU CA C 15 55.620 55.561 0.059 1
1 98 . 19 1 1 A 15 15 LEU HA H 15 4.412 4.441 -0.029 1
1 99 . 19 1 1 A 15 15 LEU CB C 15 42.580 43.086 -0.506 1
1 112 . 19 1 1 A 16 16 GLU H H 16 8.687 8.482 0.205 1
1 113 . 19 1 1 A 16 16 GLU CA C 16 55.492 54.962 0.530 1
1 114 . 19 1 1 A 16 16 GLU HA H 16 4.401 5.017 -0.616 1
1 115 . 19 1 1 A 16 16 GLU CB C 16 32.409 31.062 1.347 1
1 120 . 19 1 1 A 17 17 TYR N N 17 124.726 123.110 1.616 1
1 121 . 19 1 1 A 17 17 TYR H H 17 8.505 8.897 -0.392 1
1 122 . 19 1 1 A 17 17 TYR CA C 17 58.490 56.916 1.574 1
1 123 . 19 1 1 A 17 17 TYR HA H 17 4.598 5.071 -0.473 1
1 124 . 19 1 1 A 17 17 TYR CB C 17 38.814 42.260 -3.446 1
1 135 . 19 1 1 A 18 18 GLY N N 18 106.652 110.755 -4.103 1
1 136 . 19 1 1 A 18 18 GLY H H 18 9.176 8.756 0.420 1
1 137 . 19 1 1 A 18 18 GLY CA C 18 43.947 43.982 -0.035 1
1 138 . 19 1 1 A 18 18 GLY HA2 H 18 3.646 4.316 -0.670 1
1 139 . 19 1 1 A 18 18 GLY HA3 H 18 4.287 4.336 -0.049 1
1 140 . 19 1 1 A 19 19 GLU N N 19 122.571 121.164 1.407 1
1 141 . 19 1 1 A 19 19 GLU H H 19 9.450 8.784 0.666 1
1 142 . 19 1 1 A 19 19 GLU CA C 19 56.496 55.074 1.422 1
1 143 . 19 1 1 A 19 19 GLU HA H 19 5.218 5.213 0.005 1
1 144 . 19 1 1 A 19 19 GLU CB C 19 34.419 33.356 1.063 1
1 149 . 19 1 1 A 19 19 GLU C C 19 173.496 175.254 -1.758 1
1 150 . 19 1 1 A 20 20 ALA N N 20 125.442 127.963 -2.521 1
1 151 . 19 1 1 A 20 20 ALA H H 20 8.813 8.919 -0.106 1
1 152 . 19 1 1 A 20 20 ALA CA C 20 50.154 50.538 -0.384 1
1 153 . 19 1 1 A 20 20 ALA HA H 20 5.132 5.287 -0.155 1
1 154 . 19 1 1 A 20 20 ALA CB C 20 24.742 23.746 0.996 1
1 158 . 19 1 1 A 20 20 ALA C C 20 174.555 175.115 -0.560 1
1 159 . 19 1 1 A 21 21 VAL N N 21 117.729 119.634 -1.905 1
1 160 . 19 1 1 A 21 21 VAL H H 21 8.118 8.717 -0.599 1
1 161 . 19 1 1 A 21 21 VAL CA C 21 60.211 60.420 -0.209 1
1 162 . 19 1 1 A 21 21 VAL HA H 21 4.478 4.293 0.185 1
1 163 . 19 1 1 A 21 21 VAL CB C 21 34.751 35.135 -0.384 1
1 173 . 19 1 1 A 21 21 VAL C C 21 176.351 175.136 1.215 1
1 174 . 19 1 1 A 22 22 ALA N N 22 130.024 130.317 -0.293 1
1 175 . 19 1 1 A 22 22 ALA H H 22 8.689 8.324 0.365 1
1 176 . 19 1 1 A 22 22 ALA CA C 22 53.496 53.016 0.480 1
1 177 . 19 1 1 A 22 22 ALA HA H 22 4.170 4.224 -0.054 1
1 178 . 19 1 1 A 22 22 ALA CB C 22 20.793 19.034 1.759 1
1 182 . 19 1 1 A 22 22 ALA C C 22 178.156 176.759 1.397 1
1 183 . 19 1 1 A 23 23 GLN N N 23 126.904 122.714 4.190 1
1 184 . 19 1 1 A 23 23 GLN H H 23 9.442 8.632 0.810 1
1 185 . 19 1 1 A 23 23 GLN CA C 23 55.611 57.352 -1.741 1
1 186 . 19 1 1 A 23 23 GLN HA H 23 4.202 4.307 -0.105 1
1 187 . 19 1 1 A 23 23 GLN CB C 23 30.345 30.053 0.292 1
1 196 . 19 1 1 A 23 23 GLN C C 23 173.200 175.643 -2.443 1
1 197 . 19 1 1 A 24 24 TYR N N 24 115.157 116.092 -0.935 1
1 198 . 19 1 1 A 24 24 TYR H H 24 7.696 7.550 0.146 1
1 199 . 19 1 1 A 24 24 TYR CA C 24 55.303 56.976 -1.673 1
1 200 . 19 1 1 A 24 24 TYR HA H 24 4.847 5.282 -0.435 1
1 201 . 19 1 1 A 24 24 TYR CB C 24 43.087 41.801 1.286 1
1 212 . 19 1 1 A 24 24 TYR C C 24 173.829 176.052 -2.223 1
1 213 . 19 1 1 A 25 25 THR N N 25 118.997 119.058 -0.061 1
1 214 . 19 1 1 A 25 25 THR H H 25 8.697 9.028 -0.331 1
1 215 . 19 1 1 A 25 25 THR CA C 25 63.201 63.305 -0.104 1
1 216 . 19 1 1 A 25 25 THR HA H 25 4.483 4.651 -0.168 1
1 217 . 19 1 1 A 25 25 THR CB C 25 70.228 68.668 1.560 1
1 223 . 19 1 1 A 25 25 THR C C 25 173.214 173.879 -0.665 1
1 224 . 19 1 1 A 26 26 PHE N N 26 129.691 127.021 2.670 1
1 225 . 19 1 1 A 26 26 PHE H H 26 8.460 8.163 0.297 1
1 226 . 19 1 1 A 26 26 PHE CA C 26 55.887 56.910 -1.023 1
1 227 . 19 1 1 A 26 26 PHE HA H 26 4.631 5.075 -0.444 1
1 228 . 19 1 1 A 26 26 PHE CB C 26 42.134 41.393 0.741 1
1 241 . 19 1 1 A 26 26 PHE C C 26 173.089 174.300 -1.211 1
1 242 . 19 1 1 A 27 27 LYS N N 27 129.755 125.577 4.178 1
1 243 . 19 1 1 A 27 27 LYS H H 27 7.879 7.548 0.331 1
1 244 . 19 1 1 A 27 27 LYS CA C 27 54.562 54.595 -0.033 1
1 245 . 19 1 1 A 27 27 LYS HA H 27 4.023 5.017 -0.994 1
1 246 . 19 1 1 A 27 27 LYS CB C 27 32.490 36.166 -3.676 1
1 258 . 19 1 1 A 27 27 LYS C C 27 174.852 174.753 0.099 1
1 259 . 19 1 1 A 28 28 GLY N N 28 113.171 111.577 1.594 1
1 260 . 19 1 1 A 28 28 GLY H H 28 7.726 7.913 -0.187 1
1 261 . 19 1 1 A 28 28 GLY CA C 28 45.922 45.209 0.713 1
1 262 . 19 1 1 A 28 28 GLY HA2 H 28 3.151 4.208 -1.057 1
1 263 . 19 1 1 A 28 28 GLY HA3 H 28 3.619 4.341 -0.722 1
1 264 . 19 1 1 A 28 28 GLY C C 28 173.250 172.964 0.286 1
1 265 . 19 1 1 A 29 29 ASP N N 29 121.578 118.137 3.441 1
1 266 . 19 1 1 A 29 29 ASP H H 29 8.743 8.677 0.066 1
1 267 . 19 1 1 A 29 29 ASP CA C 29 55.162 53.684 1.478 1
1 268 . 19 1 1 A 29 29 ASP HA H 29 4.616 4.819 -0.203 1
1 269 . 19 1 1 A 29 29 ASP CB C 29 42.815 42.346 0.469 1
1 272 . 19 1 1 A 29 29 ASP C C 29 176.583 175.754 0.829 1
1 273 . 19 1 1 A 30 30 LEU N N 30 119.139 121.251 -2.112 1
1 274 . 19 1 1 A 30 30 LEU H H 30 8.069 7.584 0.485 1
1 275 . 19 1 1 A 30 30 LEU CA C 30 54.174 53.804 0.370 1
1 276 . 19 1 1 A 30 30 LEU HA H 30 4.585 4.493 0.092 1
1 277 . 19 1 1 A 30 30 LEU CB C 30 44.109 43.418 0.691 1
1 290 . 19 1 1 A 30 30 LEU C C 30 179.241 177.953 1.288 1
1 291 . 19 1 1 A 31 31 GLU N N 31 122.182 124.183 -2.001 1
1 292 . 19 1 1 A 31 31 GLU H H 31 8.905 9.080 -0.175 1
1 293 . 19 1 1 A 31 31 GLU CA C 31 59.392 59.947 -0.555 1
1 294 . 19 1 1 A 31 31 GLU HA H 31 4.151 3.983 0.168 1
1 295 . 19 1 1 A 31 31 GLU CB C 31 29.605 29.335 0.270 1
1 301 . 19 1 1 A 31 31 GLU C C 31 177.520 178.152 -0.632 1
1 302 . 19 1 1 A 32 32 VAL N N 32 108.281 116.193 -7.912 1
1 303 . 19 1 1 A 32 32 VAL H H 32 7.186 7.735 -0.549 1
1 304 . 19 1 1 A 32 32 VAL CA C 32 61.950 65.119 -3.169 1
1 305 . 19 1 1 A 32 32 VAL HA H 32 4.365 4.004 0.361 1
1 306 . 19 1 1 A 32 32 VAL CB C 32 32.222 31.278 0.944 1
1 316 . 19 1 1 A 32 32 VAL C C 32 176.602 176.340 0.262 1
1 317 . 19 1 1 A 33 33 GLU N N 33 120.835 122.488 -1.653 1
1 318 . 19 1 1 A 33 33 GLU H H 33 7.751 7.627 0.124 1
1 319 . 19 1 1 A 33 33 GLU CA C 33 55.560 56.225 -0.665 1
1 320 . 19 1 1 A 33 33 GLU HA H 33 5.106 4.686 0.420 1
1 321 . 19 1 1 A 33 33 GLU CB C 33 31.354 30.030 1.324 1
1 327 . 19 1 1 A 33 33 GLU C C 33 176.180 175.575 0.605 1
1 328 . 19 1 1 A 34 34 LEU N N 34 126.568 128.417 -1.849 1
1 329 . 19 1 1 A 34 34 LEU H H 34 9.073 8.915 0.158 1
1 330 . 19 1 1 A 34 34 LEU CA C 34 53.385 54.128 -0.743 1
1 331 . 19 1 1 A 34 34 LEU HA H 34 4.481 5.055 -0.574 1
1 332 . 19 1 1 A 34 34 LEU CB C 34 44.305 44.778 -0.473 1
1 345 . 19 1 1 A 34 34 LEU C C 34 173.373 175.325 -1.952 1
1 346 . 19 1 1 A 35 35 SER N N 35 116.987 123.525 -6.538 1
1 347 . 19 1 1 A 35 35 SER H H 35 7.561 8.767 -1.206 1
1 348 . 19 1 1 A 35 35 SER CA C 35 58.335 58.058 0.277 1
1 349 . 19 1 1 A 35 35 SER HA H 35 4.569 5.057 -0.488 1
1 350 . 19 1 1 A 35 35 SER CB C 35 64.536 64.744 -0.208 1
1 353 . 19 1 1 A 35 35 SER C C 35 174.513 173.821 0.692 1
1 354 . 19 1 1 A 36 36 PHE N N 36 117.028 120.135 -3.107 1
1 355 . 19 1 1 A 36 36 PHE H H 36 8.339 8.355 -0.016 1
1 356 . 19 1 1 A 36 36 PHE CA C 36 55.938 55.554 0.384 1
1 357 . 19 1 1 A 36 36 PHE HA H 36 4.647 5.166 -0.519 1
1 358 . 19 1 1 A 36 36 PHE CB C 36 39.959 41.698 -1.739 1
1 371 . 19 1 1 A 36 36 PHE C C 36 174.055 172.383 1.672 1
1 372 . 19 1 1 A 37 37 ARG N N 37 120.296 120.297 -0.001 1
1 373 . 19 1 1 A 37 37 ARG H H 37 9.859 8.602 1.257 1
1 374 . 19 1 1 A 37 37 ARG CA C 37 53.915 54.800 -0.885 1
1 375 . 19 1 1 A 37 37 ARG HA H 37 4.929 4.782 0.147 1
1 376 . 19 1 1 A 37 37 ARG CB C 37 32.735 32.063 0.672 1
1 385 . 19 1 1 A 37 37 ARG C C 37 175.793 176.059 -0.266 1
1 386 . 19 1 1 A 38 38 LYS N N 38 121.649 124.379 -2.730 1
1 387 . 19 1 1 A 38 38 LYS H H 38 7.938 8.302 -0.364 1
1 388 . 19 1 1 A 38 38 LYS CA C 38 58.880 58.292 0.588 1
1 389 . 19 1 1 A 38 38 LYS HA H 38 3.291 3.979 -0.688 1
1 390 . 19 1 1 A 38 38 LYS CB C 38 32.755 32.081 0.674 1
1 402 . 19 1 1 A 38 38 LYS C C 38 176.459 177.320 -0.861 1
1 403 . 19 1 1 A 39 39 GLY N N 39 114.431 114.778 -0.347 1
1 404 . 19 1 1 A 39 39 GLY H H 39 8.618 9.260 -0.642 1
1 405 . 19 1 1 A 39 39 GLY CA C 39 44.652 45.080 -0.428 1
1 406 . 19 1 1 A 39 39 GLY HA2 H 39 3.438 4.030 -0.592 1
1 407 . 19 1 1 A 39 39 GLY HA3 H 39 4.399 4.039 0.360 1
1 408 . 19 1 1 A 39 39 GLY C C 39 174.586 174.466 0.120 1
1 409 . 19 1 1 A 40 40 GLU N N 40 119.554 121.361 -1.807 1
1 410 . 19 1 1 A 40 40 GLU H H 40 7.931 8.038 -0.107 1
1 411 . 19 1 1 A 40 40 GLU CA C 40 59.197 57.319 1.878 1
1 412 . 19 1 1 A 40 40 GLU HA H 40 4.272 4.378 -0.106 1
1 413 . 19 1 1 A 40 40 GLU CB C 40 30.759 30.787 -0.028 1
1 419 . 19 1 1 A 40 40 GLU C C 40 175.278 175.718 -0.440 1
1 420 . 19 1 1 A 41 41 HIS N N 41 121.677 120.184 1.493 1
1 421 . 19 1 1 A 41 41 HIS H H 41 8.837 9.034 -0.197 1
1 422 . 19 1 1 A 41 41 HIS CA C 41 56.432 54.744 1.688 1
1 423 . 19 1 1 A 41 41 HIS HA H 41 4.817 4.961 -0.144 1
1 424 . 19 1 1 A 41 41 HIS CB C 41 30.260 29.657 0.603 1
1 431 . 19 1 1 A 41 41 HIS C C 41 174.622 174.377 0.245 1
1 432 . 19 1 1 A 42 42 ILE N N 42 123.889 124.274 -0.385 1
1 433 . 19 1 1 A 42 42 ILE H H 42 8.753 8.451 0.302 1
1 434 . 19 1 1 A 42 42 ILE CA C 42 60.433 61.400 -0.967 1
1 435 . 19 1 1 A 42 42 ILE HA H 42 4.079 4.142 -0.063 1
1 436 . 19 1 1 A 42 42 ILE CB C 42 42.258 37.967 4.291 1
1 449 . 19 1 1 A 42 42 ILE C C 42 174.377 175.152 -0.775 1
1 450 . 19 1 1 A 43 43 CYS N N 43 127.431 127.615 -0.184 1
1 451 . 19 1 1 A 43 43 CYS H H 43 8.877 8.713 0.164 1
1 452 . 19 1 1 A 43 43 CYS CA C 43 57.909 58.934 -1.025 1
1 453 . 19 1 1 A 43 43 CYS HA H 43 4.654 4.708 -0.054 1
1 454 . 19 1 1 A 43 43 CYS CB C 43 26.650 28.196 -1.546 1
1 457 . 19 1 1 A 43 43 CYS C C 43 174.875 173.853 1.022 1
1 458 . 19 1 1 A 44 44 LEU N N 44 126.732 129.150 -2.418 1
1 459 . 19 1 1 A 44 44 LEU H H 44 7.724 8.500 -0.776 1
1 460 . 19 1 1 A 44 44 LEU CA C 44 53.741 54.858 -1.117 1
1 461 . 19 1 1 A 44 44 LEU HA H 44 4.546 4.384 0.162 1
1 462 . 19 1 1 A 44 44 LEU CB C 44 43.286 40.823 2.463 1
1 475 . 19 1 1 A 44 44 LEU C C 44 175.004 176.284 -1.280 1
1 476 . 19 1 1 A 45 45 ILE N N 45 125.519 126.834 -1.315 1
1 477 . 19 1 1 A 45 45 ILE H H 45 9.058 8.941 0.117 1
1 478 . 19 1 1 A 45 45 ILE CA C 45 63.488 63.103 0.385 1
1 479 . 19 1 1 A 45 45 ILE HA H 45 4.121 4.315 -0.194 1
1 480 . 19 1 1 A 45 45 ILE CB C 45 39.808 38.748 1.060 1
1 493 . 19 1 1 A 46 46 ARG N N 46 105.448 119.851 -14.403 1
1 494 . 19 1 1 A 46 46 ARG H H 46 7.377 7.491 -0.114 1
1 495 . 19 1 1 A 46 46 ARG CA C 46 54.848 54.769 0.079 1
1 496 . 19 1 1 A 46 46 ARG HA H 46 4.576 4.710 -0.134 1
1 497 . 19 1 1 A 46 46 ARG CB C 46 32.078 33.808 -1.730 1
1 508 . 19 1 1 A 46 46 ARG C C 46 174.353 173.908 0.445 1
1 509 . 19 1 1 A 47 47 LYS N N 47 124.397 125.783 -1.386 1
1 510 . 19 1 1 A 47 47 LYS H H 47 9.254 8.726 0.528 1
1 511 . 19 1 1 A 47 47 LYS CA C 47 56.832 55.917 0.915 1
1 512 . 19 1 1 A 47 47 LYS HA H 47 4.353 4.590 -0.237 1
1 513 . 19 1 1 A 47 47 LYS CB C 47 32.868 32.254 0.614 1
1 525 . 19 1 1 A 47 47 LYS C C 47 176.540 176.336 0.204 1
1 526 . 19 1 1 A 48 48 VAL N N 48 126.203 127.497 -1.294 1
1 527 . 19 1 1 A 48 48 VAL H H 48 8.289 8.888 -0.599 1
1 528 . 19 1 1 A 48 48 VAL CA C 48 63.966 65.616 -1.650 1
1 529 . 19 1 1 A 48 48 VAL HA H 48 3.784 3.600 0.184 1
1 530 . 19 1 1 A 48 48 VAL CB C 48 33.030 31.937 1.093 1
1 540 . 19 1 1 A 48 48 VAL C C 48 175.547 176.264 -0.717 1
1 541 . 19 1 1 A 49 49 ASN N N 49 115.717 116.286 -0.569 1
1 542 . 19 1 1 A 49 49 ASN H H 49 8.167 7.552 0.615 1
1 543 . 19 1 1 A 49 49 ASN CA C 49 52.768 51.702 1.066 1
1 544 . 19 1 1 A 49 49 ASN HA H 49 4.428 5.044 -0.616 1
1 545 . 19 1 1 A 49 49 ASN CB C 49 37.683 42.384 -4.701 1
1 551 . 19 1 1 A 49 49 ASN C C 49 174.537 175.384 -0.847 1
1 552 . 19 1 1 A 50 50 GLU N N 50 114.361 120.909 -6.548 1
1 553 . 19 1 1 A 50 50 GLU H H 50 8.781 9.085 -0.304 1
1 554 . 19 1 1 A 50 50 GLU CA C 50 59.835 58.429 1.406 1
1 555 . 19 1 1 A 50 50 GLU HA H 50 3.947 4.014 -0.067 1
1 556 . 19 1 1 A 50 50 GLU CB C 50 29.534 28.818 0.716 1
1 562 . 19 1 1 A 50 50 GLU C C 50 176.796 176.246 0.550 1
1 563 . 19 1 1 A 51 51 ASN N N 51 112.673 116.293 -3.620 1
1 564 . 19 1 1 A 51 51 ASN H H 51 8.535 7.743 0.792 1
1 565 . 19 1 1 A 51 51 ASN CA C 51 53.328 53.920 -0.592 1
1 566 . 19 1 1 A 51 51 ASN HA H 51 4.968 4.743 0.225 1
1 567 . 19 1 1 A 51 51 ASN CB C 51 41.171 41.245 -0.074 1
1 573 . 19 1 1 A 51 51 ASN C C 51 174.756 174.739 0.017 1
1 574 . 19 1 1 A 52 52 TRP N N 52 121.399 117.985 3.414 1
1 575 . 19 1 1 A 52 52 TRP H H 52 7.726 7.627 0.099 1
1 576 . 19 1 1 A 52 52 TRP CA C 52 57.485 55.695 1.790 1
1 577 . 19 1 1 A 52 52 TRP HA H 52 5.072 5.099 -0.027 1
1 578 . 19 1 1 A 52 52 TRP CB C 52 31.703 31.657 0.046 1
1 593 . 19 1 1 A 52 52 TRP C C 52 174.756 174.961 -0.205 1
1 594 . 19 1 1 A 53 53 TYR N N 53 118.564 119.249 -0.685 1
1 595 . 19 1 1 A 53 53 TYR H H 53 8.443 8.655 -0.212 1
1 596 . 19 1 1 A 53 53 TYR CA C 53 57.305 56.061 1.244 1
1 597 . 19 1 1 A 53 53 TYR HA H 53 4.978 4.822 0.156 1
1 598 . 19 1 1 A 53 53 TYR CB C 53 44.030 42.518 1.512 1
1 609 . 19 1 1 A 53 53 TYR C C 53 174.045 173.749 0.296 1
1 610 . 19 1 1 A 54 54 GLU N N 54 117.557 124.105 -6.548 1
1 611 . 19 1 1 A 54 54 GLU H H 54 8.906 8.883 0.023 1
1 612 . 19 1 1 A 54 54 GLU CA C 54 54.986 54.906 0.080 1
1 613 . 19 1 1 A 54 54 GLU HA H 54 5.059 5.045 0.014 1
1 614 . 19 1 1 A 54 54 GLU CB C 54 32.458 32.238 0.220 1
1 620 . 19 1 1 A 54 54 GLU C C 54 176.438 175.726 0.712 1
1 621 . 19 1 1 A 55 55 GLY N N 55 114.051 113.064 0.987 1
1 622 . 19 1 1 A 55 55 GLY H H 55 9.556 8.758 0.798 1
1 623 . 19 1 1 A 55 55 GLY CA C 55 45.816 45.533 0.283 1
1 624 . 19 1 1 A 55 55 GLY HA2 H 55 5.166 4.494 0.672 1
1 625 . 19 1 1 A 55 55 GLY HA3 H 55 3.929 4.619 -0.690 1
1 626 . 19 1 1 A 55 55 GLY C C 55 169.584 172.780 -3.196 1
1 627 . 19 1 1 A 56 56 ARG N N 56 116.523 116.805 -0.282 1
1 628 . 19 1 1 A 56 56 ARG H H 56 9.093 8.686 0.407 1
1 629 . 19 1 1 A 56 56 ARG CA C 56 53.977 53.869 0.108 1
1 630 . 19 1 1 A 56 56 ARG HA H 56 5.528 5.193 0.335 1
1 631 . 19 1 1 A 56 56 ARG CB C 56 34.963 34.383 0.580 1
1 640 . 19 1 1 A 56 56 ARG C C 56 174.325 174.771 -0.446 1
1 641 . 19 1 1 A 57 57 ILE N N 57 123.690 123.142 0.548 1
1 642 . 19 1 1 A 57 57 ILE H H 57 8.230 9.188 -0.958 1
1 643 . 19 1 1 A 57 57 ILE CA C 57 59.706 60.392 -0.686 1
1 644 . 19 1 1 A 57 57 ILE HA H 57 4.585 4.620 -0.035 1
1 645 . 19 1 1 A 57 57 ILE CB C 57 35.623 38.407 -2.784 1
1 658 . 19 1 1 A 57 57 ILE C C 57 177.239 175.764 1.475 1
1 659 . 19 1 1 A 58 58 THR N N 58 112.797 123.017 -10.220 1
1 660 . 19 1 1 A 58 58 THR H H 58 8.805 8.616 0.189 1
1 661 . 19 1 1 A 58 58 THR CA C 58 65.598 63.704 1.894 1
1 662 . 19 1 1 A 58 58 THR HA H 58 3.857 4.031 -0.174 1
1 663 . 19 1 1 A 58 58 THR CB C 58 68.553 68.709 -0.156 1
1 669 . 19 1 1 A 59 59 GLY CA C 59 45.463 45.742 -0.279 1
1 670 . 19 1 1 A 59 59 GLY HA2 H 59 3.834 3.975 -0.141 1
1 671 . 19 1 1 A 59 59 GLY HA3 H 59 4.266 3.980 0.286 1
1 672 . 19 1 1 A 59 59 GLY C C 59 174.543 174.175 0.368 1
1 673 . 19 1 1 A 60 60 THR N N 60 108.632 113.641 -5.009 1
1 674 . 19 1 1 A 60 60 THR H H 60 7.779 8.122 -0.343 1
1 675 . 19 1 1 A 60 60 THR CA C 60 61.017 61.553 -0.536 1
1 676 . 19 1 1 A 60 60 THR HA H 60 4.892 4.449 0.443 1
1 677 . 19 1 1 A 60 60 THR CB C 60 72.426 70.508 1.918 1
1 683 . 19 1 1 A 60 60 THR C C 60 175.144 174.415 0.729 1
1 684 . 19 1 1 A 61 61 GLY CA C 61 45.320 46.103 -0.783 1
1 685 . 19 1 1 A 61 61 GLY HA2 H 61 3.930 3.960 -0.030 1
1 686 . 19 1 1 A 61 61 GLY HA3 H 61 4.183 3.962 0.221 1
1 687 . 19 1 1 A 61 61 GLY C C 61 174.641 173.534 1.107 1
1 688 . 19 1 1 A 62 62 ARG N N 62 121.575 118.555 3.020 1
1 689 . 19 1 1 A 62 62 ARG H H 62 8.229 7.631 0.598 1
1 690 . 19 1 1 A 62 62 ARG CA C 62 56.440 55.541 0.899 1
1 691 . 19 1 1 A 62 62 ARG HA H 62 4.380 4.840 -0.460 1
1 692 . 19 1 1 A 62 62 ARG CB C 62 30.667 32.586 -1.919 1
1 701 . 19 1 1 A 62 62 ARG C C 62 174.530 175.378 -0.848 1
1 702 . 19 1 1 A 63 63 GLN N N 63 124.206 123.020 1.186 1
1 703 . 19 1 1 A 63 63 GLN H H 63 8.473 8.836 -0.363 1
1 704 . 19 1 1 A 63 63 GLN CA C 63 54.768 55.106 -0.338 1
1 705 . 19 1 1 A 63 63 GLN HA H 63 5.449 5.319 0.130 1
1 706 . 19 1 1 A 63 63 GLN CB C 63 32.243 32.762 -0.519 1
1 715 . 19 1 1 A 63 63 GLN C C 63 174.555 174.720 -0.165 1
1 716 . 19 1 1 A 64 64 GLY N N 64 111.132 110.699 0.433 1
1 717 . 19 1 1 A 64 64 GLY H H 64 8.962 8.652 0.310 1
1 718 . 19 1 1 A 64 64 GLY CA C 64 45.780 46.139 -0.359 1
1 719 . 19 1 1 A 64 64 GLY HA2 H 64 4.498 4.261 0.237 1
1 720 . 19 1 1 A 64 64 GLY HA3 H 64 4.351 4.318 0.033 1
1 721 . 19 1 1 A 64 64 GLY C C 64 172.117 172.402 -0.285 1
1 722 . 19 1 1 A 65 65 ILE N N 65 114.051 116.518 -2.467 1
1 723 . 19 1 1 A 65 65 ILE H H 65 8.824 8.739 0.085 1
1 724 . 19 1 1 A 65 65 ILE CA C 65 59.949 59.144 0.805 1
1 725 . 19 1 1 A 65 65 ILE HA H 65 6.195 5.241 0.954 1
1 726 . 19 1 1 A 65 65 ILE CB C 65 41.669 40.140 1.529 1
1 739 . 19 1 1 A 65 65 ILE C C 65 176.874 175.347 1.527 1
1 740 . 19 1 1 A 66 66 PHE N N 66 116.902 118.429 -1.527 1
1 741 . 19 1 1 A 66 66 PHE H H 66 8.770 8.547 0.223 1
1 742 . 19 1 1 A 66 66 PHE CA C 66 56.114 55.449 0.665 1
1 743 . 19 1 1 A 66 66 PHE HA H 66 4.952 5.028 -0.076 1
1 744 . 19 1 1 A 66 66 PHE CB C 66 38.504 39.614 -1.110 1
1 757 . 19 1 1 A 66 66 PHE C C 66 170.992 171.731 -0.739 1
1 758 . 19 1 1 A 67 67 PRO CA C 67 61.161 62.826 -1.665 1
1 759 . 19 1 1 A 67 67 PRO HA H 67 3.678 4.272 -0.594 1
1 760 . 19 1 1 A 67 67 PRO CB C 67 30.788 31.969 -1.181 1
1 769 . 19 1 1 A 67 67 PRO C C 67 177.819 177.614 0.205 1
1 770 . 19 1 1 A 68 68 ALA N N 68 126.195 128.146 -1.951 1
1 771 . 19 1 1 A 68 68 ALA H H 68 8.458 8.767 -0.309 1
1 772 . 19 1 1 A 68 68 ALA CA C 68 54.676 55.505 -0.829 1
1 773 . 19 1 1 A 68 68 ALA HA H 68 4.008 4.205 -0.197 1
1 774 . 19 1 1 A 68 68 ALA CB C 68 18.986 18.543 0.443 1
1 778 . 19 1 1 A 68 68 ALA C C 68 178.933 179.800 -0.867 1
1 779 . 19 1 1 A 69 69 SER N N 69 110.156 112.867 -2.711 1
1 780 . 19 1 1 A 69 69 SER H H 69 8.370 8.381 -0.011 1
1 781 . 19 1 1 A 69 69 SER CA C 69 60.250 61.047 -0.797 1
1 782 . 19 1 1 A 69 69 SER HA H 69 4.265 4.159 0.106 1
1 783 . 19 1 1 A 69 69 SER CB C 69 62.718 63.016 -0.298 1
1 786 . 19 1 1 A 69 69 SER C C 69 175.748 176.399 -0.651 1
1 787 . 19 1 1 A 70 70 TYR N N 70 119.475 118.105 1.370 1
1 788 . 19 1 1 A 70 70 TYR H H 70 7.728 7.895 -0.167 1
1 789 . 19 1 1 A 70 70 TYR CA C 70 60.061 60.338 -0.277 1
1 790 . 19 1 1 A 70 70 TYR HA H 70 4.620 4.463 0.157 1
1 791 . 19 1 1 A 70 70 TYR CB C 70 39.039 39.310 -0.271 1
1 802 . 19 1 1 A 70 70 TYR C C 70 176.140 176.364 -0.224 1
1 803 . 19 1 1 A 71 71 VAL N N 71 110.320 116.153 -5.833 1
1 804 . 19 1 1 A 71 71 VAL H H 71 8.064 7.868 0.196 1
1 805 . 19 1 1 A 71 71 VAL CA C 71 58.737 59.933 -1.196 1
1 806 . 19 1 1 A 71 71 VAL HA H 71 5.073 4.608 0.465 1
1 807 . 19 1 1 A 71 71 VAL CB C 71 35.550 34.023 1.527 1
1 817 . 19 1 1 A 71 71 VAL C C 71 173.044 173.981 -0.937 1
1 818 . 19 1 1 A 72 72 GLN N N 72 119.621 121.443 -1.822 1
1 819 . 19 1 1 A 72 72 GLN H H 72 8.448 8.819 -0.371 1
1 820 . 19 1 1 A 72 72 GLN CA C 72 54.351 54.262 0.089 1
1 821 . 19 1 1 A 72 72 GLN HA H 72 4.724 4.973 -0.249 1
1 822 . 19 1 1 A 72 72 GLN CB C 72 30.373 32.094 -1.721 1
1 831 . 19 1 1 A 72 72 GLN C C 72 176.050 174.447 1.603 1
1 832 . 19 1 1 A 73 73 VAL N N 73 130.439 127.629 2.810 1
1 833 . 19 1 1 A 73 73 VAL H H 73 9.369 8.898 0.471 1
1 834 . 19 1 1 A 73 73 VAL CA C 73 63.957 62.713 1.244 1
1 835 . 19 1 1 A 73 73 VAL HA H 73 3.856 4.107 -0.251 1
1 836 . 19 1 1 A 73 73 VAL CB C 73 32.616 31.889 0.727 1
1 846 . 19 1 1 A 73 73 VAL C C 73 176.043 175.758 0.285 1
1 847 . 19 1 1 A 74 74 SER N N 74 123.766 122.345 1.421 1
1 848 . 19 1 1 A 74 74 SER H H 74 8.708 9.009 -0.301 1
1 849 . 19 1 1 A 74 74 SER CA C 74 58.930 59.302 -0.372 1
1 850 . 19 1 1 A 74 74 SER HA H 74 4.627 4.548 0.079 1
1 851 . 19 1 1 A 74 74 SER CB C 74 63.548 65.117 -1.569 1
1 854 . 19 1 1 A 74 74 SER C C 74 174.821 173.777 1.044 1
1 855 . 19 1 1 A 75 75 ARG N N 75 122.335 119.075 3.260 1
1 856 . 19 1 1 A 75 75 ARG H H 75 7.690 7.277 0.413 1
1 857 . 19 1 1 A 75 75 ARG CA C 75 56.185 55.481 0.704 1
1 858 . 19 1 1 A 75 75 ARG HA H 75 4.526 4.767 -0.241 1
1 859 . 19 1 1 A 75 75 ARG CB C 75 33.734 32.809 0.925 1
1 868 . 19 1 1 A 75 75 ARG C C 75 174.824 174.398 0.426 1
1 869 . 19 1 1 A 76 76 GLU N N 76 126.797 127.017 -0.220 1
1 870 . 19 1 1 A 76 76 GLU H H 76 8.916 8.572 0.344 1
1 871 . 19 1 1 A 76 76 GLU CA C 76 54.874 55.137 -0.263 1
1 872 . 19 1 1 A 76 76 GLU HA H 76 4.561 4.449 0.112 1
1 873 . 19 1 1 A 76 76 GLU CB C 76 28.925 29.043 -0.118 1
1 879 . 19 1 1 A 76 76 GLU C C 76 175.557 174.793 0.764 1
1 880 . 19 1 1 A 77 77 PRO CA C 77 62.726 62.359 0.367 1
1 881 . 19 1 1 A 77 77 PRO HA H 77 4.584 4.660 -0.076 1
1 882 . 19 1 1 A 77 77 PRO CB C 77 32.153 33.262 -1.109 1
1 891 . 19 1 1 A 78 78 ARG N N 78 120.959 122.031 -1.072 1
1 892 . 19 1 1 A 78 78 ARG H H 78 8.814 8.639 0.175 1
1 893 . 19 1 1 A 78 78 ARG CA C 78 55.491 54.879 0.612 1
1 894 . 19 1 1 A 78 78 ARG HA H 78 4.743 4.609 0.134 1
1 895 . 19 1 1 A 78 78 ARG CB C 78 33.443 30.674 2.769 1
1 904 . 19 1 1 A 79 79 LEU N N 79 125.756 126.612 -0.856 1
1 905 . 19 1 1 A 79 79 LEU H H 79 8.789 8.622 0.167 1
1 906 . 19 1 1 A 79 79 LEU CA C 79 54.346 54.198 0.148 1
1 907 . 19 1 1 A 79 79 LEU HA H 79 5.007 4.497 0.510 1
1 908 . 19 1 1 A 79 79 LEU CB C 79 44.609 41.538 3.071 1
1 917 . 19 1 1 A 80 80 ARG N N 80 121.792 115.827 5.965 1
1 918 . 19 1 1 A 80 80 ARG H H 80 8.908 8.127 0.781 1
1 919 . 19 1 1 A 80 80 ARG CA C 80 54.966 57.282 -2.316 1
1 920 . 19 1 1 A 80 80 ARG HA H 80 4.611 3.935 0.676 1
1 921 . 19 1 1 A 80 80 ARG CB C 80 32.686 28.201 4.485 1
1 924 . 19 1 1 A 81 81 LEU N N 81 126.556 110.876 15.680 1
1 925 . 19 1 1 A 81 81 LEU H H 81 8.702 8.311 0.391 1
1 926 . 19 1 1 A 81 81 LEU CA C 81 55.199 56.180 -0.981 1
1 927 . 19 1 1 A 81 81 LEU HA H 81 4.472 3.811 0.661 1
1 928 . 19 1 1 A 81 81 LEU CB C 81 42.368 40.645 1.723 1
1 941 . 19 1 1 A 82 82 CYS N N 82 121.583 116.841 4.742 1
1 942 . 19 1 1 A 82 82 CYS H H 82 8.466 7.488 0.978 1
1 943 . 19 1 1 A 82 82 CYS CA C 82 58.583 59.995 -1.412 1
1 944 . 19 1 1 A 82 82 CYS HA H 82 4.475 4.294 0.181 1
1 945 . 19 1 1 A 82 82 CYS CB C 82 28.438 28.613 -0.175 1
1 948 . 19 1 1 A 83 83 ASP N N 83 122.639 125.803 -3.164 1
1 949 . 19 1 1 A 83 83 ASP H H 83 8.400 8.245 0.155 1
1 950 . 19 1 1 A 83 83 ASP CA C 83 54.210 54.880 -0.670 1
1 951 . 19 1 1 A 83 83 ASP HA H 83 4.654 4.553 0.101 1
1 952 . 19 1 1 A 83 83 ASP CB C 83 41.291 41.120 0.171 1
1 955 . 19 1 1 A 83 83 ASP C C 83 175.900 175.329 0.571 1
1 956 . 19 1 1 A 84 84 ASP N N 84 121.113 125.552 -4.439 1
1 957 . 19 1 1 A 84 84 ASP H H 84 8.310 8.697 -0.387 1
1 958 . 19 1 1 A 84 84 ASP CA C 84 54.330 52.701 1.629 1
1 959 . 19 1 1 A 84 84 ASP HA H 84 4.650 5.277 -0.627 1
1 960 . 19 1 1 A 84 84 ASP CB C 84 41.283 42.159 -0.876 1
1 963 . 19 1 1 A 84 84 ASP C C 84 176.407 175.840 0.567 1
1 964 . 19 1 1 A 85 85 SER N N 85 116.212 114.852 1.360 1
1 965 . 19 1 1 A 85 85 SER H H 85 8.332 9.141 -0.809 1
1 966 . 19 1 1 A 85 85 SER CA C 85 58.819 59.195 -0.376 1
1 967 . 19 1 1 A 85 85 SER HA H 85 4.438 4.032 0.406 1
1 968 . 19 1 1 A 85 85 SER CB C 85 63.961 62.364 1.597 1
1 971 . 19 1 1 A 85 85 SER C C 85 174.867 173.177 1.690 1
1 972 . 19 1 1 A 86 86 GLY N N 86 110.652 107.003 3.649 1
1 973 . 19 1 1 A 86 86 GLY H H 86 8.251 7.648 0.603 1
1 974 . 19 1 1 A 86 86 GLY CA C 86 44.758 44.989 -0.231 1
1 975 . 19 1 1 A 86 86 GLY HA2 H 86 4.109 4.104 0.005 1
1 976 . 19 1 1 A 86 86 GLY HA3 H 86 4.109 4.105 0.004 1
1 977 . 19 1 1 A 86 86 GLY C C 86 171.914 174.043 -2.129 1
1 978 . 19 1 1 A 87 87 PRO CA C 87 63.192 63.776 -0.584 1
1 979 . 19 1 1 A 87 87 PRO HA H 87 4.484 4.568 -0.084 1
1 980 . 19 1 1 A 87 87 PRO CB C 87 32.243 31.910 0.333 1
1 989 . 19 1 1 A 87 87 PRO C C 87 177.470 177.605 -0.135 1
1 990 . 19 1 1 A 88 88 SER N N 88 116.433 114.580 1.853 1
1 991 . 19 1 1 A 88 88 SER H H 88 8.518 8.140 0.378 1
1 992 . 19 1 1 A 88 88 SER CA C 88 58.330 59.361 -1.031 1
1 993 . 19 1 1 A 88 88 SER HA H 88 4.571 4.069 0.502 1
1 994 . 19 1 1 A 88 88 SER CB C 88 63.896 61.716 2.180 1
1 997 . 19 1 1 A 88 88 SER C C 88 174.747 173.398 1.349 1
1 998 . 19 1 1 A 89 89 SER N N 89 117.882 112.411 5.471 1
1 999 . 19 1 1 A 89 89 SER H H 89 8.335 7.984 0.351 1
1 1000 . 19 1 1 A 89 89 SER CA C 89 58.497 56.739 1.758 1
1 1001 . 19 1 1 A 89 89 SER CB C 89 64.209 64.764 -0.555 1
1 1004 . 19 1 1 A 89 89 SER C C 89 174.100 173.638 0.462 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.146 44.833 0.313 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.966 4.234 -0.268 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.966 4.234 -0.268 1
1 4 . 20 1 1 A 7 7 GLY C C 7 173.687 171.987 1.700 1
1 5 . 20 1 1 A 8 8 LYS N N 8 122.140 118.081 4.059 1
1 6 . 20 1 1 A 8 8 LYS H H 8 8.107 8.716 -0.609 1
1 7 . 20 1 1 A 8 8 LYS CA C 8 54.053 53.458 0.595 1
1 8 . 20 1 1 A 8 8 LYS HA H 8 4.620 5.032 -0.412 1
1 9 . 20 1 1 A 8 8 LYS CB C 8 32.649 35.674 -3.025 1
1 21 . 20 1 1 A 8 8 LYS C C 8 174.270 173.881 0.389 1
1 22 . 20 1 1 A 9 9 PRO CA C 9 61.632 62.625 -0.993 1
1 23 . 20 1 1 A 9 9 PRO HA H 9 4.687 4.734 -0.047 1
1 24 . 20 1 1 A 9 9 PRO CB C 9 30.855 31.691 -0.836 1
1 33 . 20 1 1 A 10 10 PRO CA C 10 62.942 62.660 0.282 1
1 34 . 20 1 1 A 10 10 PRO HA H 10 4.473 4.724 -0.251 1
1 35 . 20 1 1 A 10 10 PRO CB C 10 32.197 33.500 -1.303 1
1 44 . 20 1 1 A 11 11 THR N N 11 128.434 116.050 12.384 1
1 45 . 20 1 1 A 11 11 THR H H 11 8.172 8.627 -0.455 1
1 46 . 20 1 1 A 11 11 THR CA C 11 61.644 61.356 0.288 1
1 47 . 20 1 1 A 11 11 THR HA H 11 4.357 4.724 -0.367 1
1 48 . 20 1 1 A 11 11 THR CB C 11 70.204 72.120 -1.916 1
1 54 . 20 1 1 A 12 12 TYR N N 12 120.312 130.406 -10.094 1
1 55 . 20 1 1 A 12 12 TYR H H 12 8.033 9.156 -1.123 1
1 56 . 20 1 1 A 12 12 TYR CA C 12 56.633 57.468 -0.835 1
1 57 . 20 1 1 A 12 12 TYR HA H 12 4.967 4.630 0.337 1
1 58 . 20 1 1 A 12 12 TYR CB C 12 40.403 38.501 1.902 1
1 69 . 20 1 1 A 13 13 GLN H H 13 8.634 8.498 0.136 1
1 70 . 20 1 1 A 13 13 GLN CA C 13 54.519 54.207 0.312 1
1 71 . 20 1 1 A 13 13 GLN HA H 13 4.626 4.633 -0.007 1
1 72 . 20 1 1 A 13 13 GLN CB C 13 31.183 28.718 2.465 1
1 81 . 20 1 1 A 14 14 VAL N N 14 124.270 122.746 1.524 1
1 82 . 20 1 1 A 14 14 VAL H H 14 8.773 7.724 1.049 1
1 83 . 20 1 1 A 14 14 VAL CA C 14 62.977 63.066 -0.089 1
1 84 . 20 1 1 A 14 14 VAL HA H 14 4.018 4.031 -0.013 1
1 85 . 20 1 1 A 14 14 VAL CB C 14 32.909 32.978 -0.069 1
1 95 . 20 1 1 A 15 15 LEU N N 15 128.403 123.018 5.385 1
1 96 . 20 1 1 A 15 15 LEU H H 15 8.726 7.525 1.201 1
1 97 . 20 1 1 A 15 15 LEU CA C 15 55.620 55.954 -0.334 1
1 98 . 20 1 1 A 15 15 LEU HA H 15 4.412 4.116 0.296 1
1 99 . 20 1 1 A 15 15 LEU CB C 15 42.580 41.863 0.717 1
1 112 . 20 1 1 A 16 16 GLU H H 16 8.687 8.647 0.040 1
1 113 . 20 1 1 A 16 16 GLU CA C 16 55.492 57.466 -1.974 1
1 114 . 20 1 1 A 16 16 GLU HA H 16 4.401 4.460 -0.059 1
1 115 . 20 1 1 A 16 16 GLU CB C 16 32.409 30.364 2.045 1
1 120 . 20 1 1 A 17 17 TYR N N 17 124.726 119.171 5.555 1
1 121 . 20 1 1 A 17 17 TYR H H 17 8.505 7.433 1.072 1
1 122 . 20 1 1 A 17 17 TYR CA C 17 58.490 58.010 0.480 1
1 123 . 20 1 1 A 17 17 TYR HA H 17 4.598 4.610 -0.012 1
1 124 . 20 1 1 A 17 17 TYR CB C 17 38.814 39.342 -0.528 1
1 135 . 20 1 1 A 18 18 GLY N N 18 106.652 109.354 -2.702 1
1 136 . 20 1 1 A 18 18 GLY H H 18 9.176 8.065 1.111 1
1 137 . 20 1 1 A 18 18 GLY CA C 18 43.947 45.514 -1.567 1
1 138 . 20 1 1 A 18 18 GLY HA2 H 18 3.646 4.060 -0.414 1
1 139 . 20 1 1 A 18 18 GLY HA3 H 18 4.287 4.063 0.224 1
1 140 . 20 1 1 A 19 19 GLU N N 19 122.571 122.261 0.310 1
1 141 . 20 1 1 A 19 19 GLU H H 19 9.450 8.255 1.195 1
1 142 . 20 1 1 A 19 19 GLU CA C 19 56.496 55.334 1.162 1
1 143 . 20 1 1 A 19 19 GLU HA H 19 5.218 5.150 0.068 1
1 144 . 20 1 1 A 19 19 GLU CB C 19 34.419 32.744 1.675 1
1 149 . 20 1 1 A 19 19 GLU C C 19 173.496 175.279 -1.783 1
1 150 . 20 1 1 A 20 20 ALA N N 20 125.442 128.078 -2.636 1
1 151 . 20 1 1 A 20 20 ALA H H 20 8.813 8.536 0.277 1
1 152 . 20 1 1 A 20 20 ALA CA C 20 50.154 50.525 -0.371 1
1 153 . 20 1 1 A 20 20 ALA HA H 20 5.132 5.223 -0.091 1
1 154 . 20 1 1 A 20 20 ALA CB C 20 24.742 23.421 1.321 1
1 158 . 20 1 1 A 20 20 ALA C C 20 174.555 175.442 -0.887 1
1 159 . 20 1 1 A 21 21 VAL N N 21 117.729 119.686 -1.957 1
1 160 . 20 1 1 A 21 21 VAL H H 21 8.118 8.454 -0.336 1
1 161 . 20 1 1 A 21 21 VAL CA C 21 60.211 59.887 0.324 1
1 162 . 20 1 1 A 21 21 VAL HA H 21 4.478 4.471 0.007 1
1 163 . 20 1 1 A 21 21 VAL CB C 21 34.751 34.780 -0.029 1
1 173 . 20 1 1 A 21 21 VAL C C 21 176.351 174.981 1.370 1
1 174 . 20 1 1 A 22 22 ALA N N 22 130.024 129.047 0.977 1
1 175 . 20 1 1 A 22 22 ALA H H 22 8.689 8.254 0.435 1
1 176 . 20 1 1 A 22 22 ALA CA C 22 53.496 52.746 0.750 1
1 177 . 20 1 1 A 22 22 ALA HA H 22 4.170 4.152 0.018 1
1 178 . 20 1 1 A 22 22 ALA CB C 22 20.793 18.692 2.101 1
1 182 . 20 1 1 A 22 22 ALA C C 22 178.156 176.454 1.702 1
1 183 . 20 1 1 A 23 23 GLN N N 23 126.904 122.414 4.490 1
1 184 . 20 1 1 A 23 23 GLN H H 23 9.442 8.415 1.027 1
1 185 . 20 1 1 A 23 23 GLN CA C 23 55.611 57.005 -1.394 1
1 186 . 20 1 1 A 23 23 GLN HA H 23 4.202 4.475 -0.273 1
1 187 . 20 1 1 A 23 23 GLN CB C 23 30.345 30.623 -0.278 1
1 196 . 20 1 1 A 23 23 GLN C C 23 173.200 175.636 -2.436 1
1 197 . 20 1 1 A 24 24 TYR N N 24 115.157 116.330 -1.173 1
1 198 . 20 1 1 A 24 24 TYR H H 24 7.696 7.659 0.037 1
1 199 . 20 1 1 A 24 24 TYR CA C 24 55.303 56.697 -1.394 1
1 200 . 20 1 1 A 24 24 TYR HA H 24 4.847 5.169 -0.322 1
1 201 . 20 1 1 A 24 24 TYR CB C 24 43.087 41.348 1.739 1
1 212 . 20 1 1 A 24 24 TYR C C 24 173.829 176.076 -2.247 1
1 213 . 20 1 1 A 25 25 THR N N 25 118.997 119.909 -0.912 1
1 214 . 20 1 1 A 25 25 THR H H 25 8.697 8.939 -0.242 1
1 215 . 20 1 1 A 25 25 THR CA C 25 63.201 63.185 0.016 1
1 216 . 20 1 1 A 25 25 THR HA H 25 4.483 4.476 0.007 1
1 217 . 20 1 1 A 25 25 THR CB C 25 70.228 68.506 1.722 1
1 223 . 20 1 1 A 25 25 THR C C 25 173.214 174.059 -0.845 1
1 224 . 20 1 1 A 26 26 PHE N N 26 129.691 128.223 1.468 1
1 225 . 20 1 1 A 26 26 PHE H H 26 8.460 8.791 -0.331 1
1 226 . 20 1 1 A 26 26 PHE CA C 26 55.887 58.253 -2.366 1
1 227 . 20 1 1 A 26 26 PHE HA H 26 4.631 4.882 -0.251 1
1 228 . 20 1 1 A 26 26 PHE CB C 26 42.134 39.987 2.147 1
1 241 . 20 1 1 A 26 26 PHE C C 26 173.089 174.756 -1.667 1
1 242 . 20 1 1 A 27 27 LYS N N 27 129.755 125.114 4.641 1
1 243 . 20 1 1 A 27 27 LYS H H 27 7.879 7.202 0.677 1
1 244 . 20 1 1 A 27 27 LYS CA C 27 54.562 55.068 -0.506 1
1 245 . 20 1 1 A 27 27 LYS HA H 27 4.023 4.756 -0.733 1
1 246 . 20 1 1 A 27 27 LYS CB C 27 32.490 36.119 -3.629 1
1 258 . 20 1 1 A 27 27 LYS C C 27 174.852 174.701 0.151 1
1 259 . 20 1 1 A 28 28 GLY N N 28 113.171 112.019 1.152 1
1 260 . 20 1 1 A 28 28 GLY H H 28 7.726 8.443 -0.717 1
1 261 . 20 1 1 A 28 28 GLY CA C 28 45.922 44.950 0.972 1
1 262 . 20 1 1 A 28 28 GLY HA2 H 28 3.151 4.314 -1.163 1
1 263 . 20 1 1 A 28 28 GLY HA3 H 28 3.619 4.448 -0.829 1
1 264 . 20 1 1 A 28 28 GLY C C 28 173.250 173.584 -0.334 1
1 265 . 20 1 1 A 29 29 ASP N N 29 121.578 121.233 0.345 1
1 266 . 20 1 1 A 29 29 ASP H H 29 8.743 8.811 -0.068 1
1 267 . 20 1 1 A 29 29 ASP CA C 29 55.162 54.550 0.612 1
1 268 . 20 1 1 A 29 29 ASP HA H 29 4.616 4.758 -0.142 1
1 269 . 20 1 1 A 29 29 ASP CB C 29 42.815 42.502 0.313 1
1 272 . 20 1 1 A 29 29 ASP C C 29 176.583 176.107 0.476 1
1 273 . 20 1 1 A 30 30 LEU N N 30 119.139 121.066 -1.927 1
1 274 . 20 1 1 A 30 30 LEU H H 30 8.069 7.688 0.381 1
1 275 . 20 1 1 A 30 30 LEU CA C 30 54.174 54.420 -0.246 1
1 276 . 20 1 1 A 30 30 LEU HA H 30 4.585 4.295 0.290 1
1 277 . 20 1 1 A 30 30 LEU CB C 30 44.109 42.262 1.847 1
1 290 . 20 1 1 A 30 30 LEU C C 30 179.241 177.997 1.244 1
1 291 . 20 1 1 A 31 31 GLU N N 31 122.182 123.719 -1.537 1
1 292 . 20 1 1 A 31 31 GLU H H 31 8.905 9.070 -0.165 1
1 293 . 20 1 1 A 31 31 GLU CA C 31 59.392 59.691 -0.299 1
1 294 . 20 1 1 A 31 31 GLU HA H 31 4.151 3.931 0.220 1
1 295 . 20 1 1 A 31 31 GLU CB C 31 29.605 29.125 0.480 1
1 301 . 20 1 1 A 31 31 GLU C C 31 177.520 178.202 -0.682 1
1 302 . 20 1 1 A 32 32 VAL N N 32 108.281 118.779 -10.498 1
1 303 . 20 1 1 A 32 32 VAL H H 32 7.186 7.891 -0.705 1
1 304 . 20 1 1 A 32 32 VAL CA C 32 61.950 65.312 -3.362 1
1 305 . 20 1 1 A 32 32 VAL HA H 32 4.365 3.807 0.558 1
1 306 . 20 1 1 A 32 32 VAL CB C 32 32.222 31.365 0.857 1
1 316 . 20 1 1 A 32 32 VAL C C 32 176.602 176.644 -0.042 1
1 317 . 20 1 1 A 33 33 GLU N N 33 120.835 122.348 -1.513 1
1 318 . 20 1 1 A 33 33 GLU H H 33 7.751 7.943 -0.192 1
1 319 . 20 1 1 A 33 33 GLU CA C 33 55.560 56.587 -1.027 1
1 320 . 20 1 1 A 33 33 GLU HA H 33 5.106 4.575 0.531 1
1 321 . 20 1 1 A 33 33 GLU CB C 33 31.354 30.181 1.173 1
1 327 . 20 1 1 A 33 33 GLU C C 33 176.180 175.897 0.283 1
1 328 . 20 1 1 A 34 34 LEU N N 34 126.568 128.455 -1.887 1
1 329 . 20 1 1 A 34 34 LEU H H 34 9.073 9.181 -0.108 1
1 330 . 20 1 1 A 34 34 LEU CA C 34 53.385 54.059 -0.674 1
1 331 . 20 1 1 A 34 34 LEU HA H 34 4.481 5.130 -0.649 1
1 332 . 20 1 1 A 34 34 LEU CB C 34 44.305 44.317 -0.012 1
1 345 . 20 1 1 A 34 34 LEU C C 34 173.373 176.739 -3.366 1
1 346 . 20 1 1 A 35 35 SER N N 35 116.987 120.356 -3.369 1
1 347 . 20 1 1 A 35 35 SER H H 35 7.561 8.925 -1.364 1
1 348 . 20 1 1 A 35 35 SER CA C 35 58.335 56.986 1.349 1
1 349 . 20 1 1 A 35 35 SER HA H 35 4.569 4.992 -0.423 1
1 350 . 20 1 1 A 35 35 SER CB C 35 64.536 65.585 -1.049 1
1 353 . 20 1 1 A 35 35 SER C C 35 174.513 173.907 0.606 1
1 354 . 20 1 1 A 36 36 PHE N N 36 117.028 117.046 -0.018 1
1 355 . 20 1 1 A 36 36 PHE H H 36 8.339 8.337 0.002 1
1 356 . 20 1 1 A 36 36 PHE CA C 36 55.938 56.167 -0.229 1
1 357 . 20 1 1 A 36 36 PHE HA H 36 4.647 5.185 -0.538 1
1 358 . 20 1 1 A 36 36 PHE CB C 36 39.959 40.588 -0.629 1
1 371 . 20 1 1 A 36 36 PHE C C 36 174.055 172.309 1.746 1
1 372 . 20 1 1 A 37 37 ARG N N 37 120.296 119.892 0.404 1
1 373 . 20 1 1 A 37 37 ARG H H 37 9.859 8.610 1.249 1
1 374 . 20 1 1 A 37 37 ARG CA C 37 53.915 54.605 -0.690 1
1 375 . 20 1 1 A 37 37 ARG HA H 37 4.929 4.802 0.127 1
1 376 . 20 1 1 A 37 37 ARG CB C 37 32.735 32.341 0.394 1
1 385 . 20 1 1 A 37 37 ARG C C 37 175.793 175.915 -0.122 1
1 386 . 20 1 1 A 38 38 LYS N N 38 121.649 125.042 -3.393 1
1 387 . 20 1 1 A 38 38 LYS H H 38 7.938 8.724 -0.786 1
1 388 . 20 1 1 A 38 38 LYS CA C 38 58.880 58.302 0.578 1
1 389 . 20 1 1 A 38 38 LYS HA H 38 3.291 3.988 -0.697 1
1 390 . 20 1 1 A 38 38 LYS CB C 38 32.755 32.103 0.652 1
1 402 . 20 1 1 A 38 38 LYS C C 38 176.459 177.286 -0.827 1
1 403 . 20 1 1 A 39 39 GLY N N 39 114.431 114.912 -0.481 1
1 404 . 20 1 1 A 39 39 GLY H H 39 8.618 9.124 -0.506 1
1 405 . 20 1 1 A 39 39 GLY CA C 39 44.652 45.074 -0.422 1
1 406 . 20 1 1 A 39 39 GLY HA2 H 39 3.438 4.008 -0.570 1
1 407 . 20 1 1 A 39 39 GLY HA3 H 39 4.399 4.028 0.371 1
1 408 . 20 1 1 A 39 39 GLY C C 39 174.586 174.380 0.206 1
1 409 . 20 1 1 A 40 40 GLU N N 40 119.554 121.375 -1.821 1
1 410 . 20 1 1 A 40 40 GLU H H 40 7.931 8.130 -0.199 1
1 411 . 20 1 1 A 40 40 GLU CA C 40 59.197 57.406 1.791 1
1 412 . 20 1 1 A 40 40 GLU HA H 40 4.272 4.353 -0.081 1
1 413 . 20 1 1 A 40 40 GLU CB C 40 30.759 30.802 -0.043 1
1 419 . 20 1 1 A 40 40 GLU C C 40 175.278 175.496 -0.218 1
1 420 . 20 1 1 A 41 41 HIS N N 41 121.677 120.172 1.505 1
1 421 . 20 1 1 A 41 41 HIS H H 41 8.837 9.062 -0.225 1
1 422 . 20 1 1 A 41 41 HIS CA C 41 56.432 54.665 1.767 1
1 423 . 20 1 1 A 41 41 HIS HA H 41 4.817 5.115 -0.298 1
1 424 . 20 1 1 A 41 41 HIS CB C 41 30.260 30.569 -0.309 1
1 431 . 20 1 1 A 41 41 HIS C C 41 174.622 174.097 0.525 1
1 432 . 20 1 1 A 42 42 ILE N N 42 123.889 125.016 -1.127 1
1 433 . 20 1 1 A 42 42 ILE H H 42 8.753 8.699 0.054 1
1 434 . 20 1 1 A 42 42 ILE CA C 42 60.433 60.196 0.237 1
1 435 . 20 1 1 A 42 42 ILE HA H 42 4.079 4.597 -0.518 1
1 436 . 20 1 1 A 42 42 ILE CB C 42 42.258 39.021 3.237 1
1 449 . 20 1 1 A 42 42 ILE C C 42 174.377 174.535 -0.158 1
1 450 . 20 1 1 A 43 43 CYS N N 43 127.431 127.763 -0.332 1
1 451 . 20 1 1 A 43 43 CYS H H 43 8.877 9.001 -0.124 1
1 452 . 20 1 1 A 43 43 CYS CA C 43 57.909 58.324 -0.415 1
1 453 . 20 1 1 A 43 43 CYS HA H 43 4.654 4.829 -0.175 1
1 454 . 20 1 1 A 43 43 CYS CB C 43 26.650 28.645 -1.995 1
1 457 . 20 1 1 A 43 43 CYS C C 43 174.875 173.883 0.992 1
1 458 . 20 1 1 A 44 44 LEU N N 44 126.732 129.000 -2.268 1
1 459 . 20 1 1 A 44 44 LEU H H 44 7.724 8.798 -1.074 1
1 460 . 20 1 1 A 44 44 LEU CA C 44 53.741 54.913 -1.172 1
1 461 . 20 1 1 A 44 44 LEU HA H 44 4.546 4.363 0.183 1
1 462 . 20 1 1 A 44 44 LEU CB C 44 43.286 40.528 2.758 1
1 475 . 20 1 1 A 44 44 LEU C C 44 175.004 176.352 -1.348 1
1 476 . 20 1 1 A 45 45 ILE N N 45 125.519 126.991 -1.472 1
1 477 . 20 1 1 A 45 45 ILE H H 45 9.058 8.620 0.438 1
1 478 . 20 1 1 A 45 45 ILE CA C 45 63.488 64.393 -0.905 1
1 479 . 20 1 1 A 45 45 ILE HA H 45 4.121 3.514 0.607 1
1 480 . 20 1 1 A 45 45 ILE CB C 45 39.808 37.856 1.952 1
1 493 . 20 1 1 A 46 46 ARG N N 46 105.448 118.136 -12.688 1
1 494 . 20 1 1 A 46 46 ARG H H 46 7.377 7.300 0.077 1
1 495 . 20 1 1 A 46 46 ARG CA C 46 54.848 55.493 -0.645 1
1 496 . 20 1 1 A 46 46 ARG HA H 46 4.576 4.611 -0.035 1
1 497 . 20 1 1 A 46 46 ARG CB C 46 32.078 33.449 -1.371 1
1 508 . 20 1 1 A 46 46 ARG C C 46 174.353 173.965 0.388 1
1 509 . 20 1 1 A 47 47 LYS N N 47 124.397 126.662 -2.265 1
1 510 . 20 1 1 A 47 47 LYS H H 47 9.254 8.625 0.629 1
1 511 . 20 1 1 A 47 47 LYS CA C 47 56.832 56.492 0.340 1
1 512 . 20 1 1 A 47 47 LYS HA H 47 4.353 4.570 -0.217 1
1 513 . 20 1 1 A 47 47 LYS CB C 47 32.868 32.316 0.552 1
1 525 . 20 1 1 A 47 47 LYS C C 47 176.540 176.110 0.430 1
1 526 . 20 1 1 A 48 48 VAL N N 48 126.203 127.691 -1.488 1
1 527 . 20 1 1 A 48 48 VAL H H 48 8.289 8.776 -0.487 1
1 528 . 20 1 1 A 48 48 VAL CA C 48 63.966 65.340 -1.374 1
1 529 . 20 1 1 A 48 48 VAL HA H 48 3.784 3.744 0.040 1
1 530 . 20 1 1 A 48 48 VAL CB C 48 33.030 32.118 0.912 1
1 540 . 20 1 1 A 48 48 VAL C C 48 175.547 176.119 -0.572 1
1 541 . 20 1 1 A 49 49 ASN N N 49 115.717 115.545 0.172 1
1 542 . 20 1 1 A 49 49 ASN H H 49 8.167 7.793 0.374 1
1 543 . 20 1 1 A 49 49 ASN CA C 49 52.768 51.348 1.420 1
1 544 . 20 1 1 A 49 49 ASN HA H 49 4.428 5.050 -0.622 1
1 545 . 20 1 1 A 49 49 ASN CB C 49 37.683 42.276 -4.593 1
1 551 . 20 1 1 A 49 49 ASN C C 49 174.537 175.830 -1.293 1
1 552 . 20 1 1 A 50 50 GLU N N 50 114.361 120.413 -6.052 1
1 553 . 20 1 1 A 50 50 GLU H H 50 8.781 9.258 -0.477 1
1 554 . 20 1 1 A 50 50 GLU CA C 50 59.835 58.179 1.656 1
1 555 . 20 1 1 A 50 50 GLU HA H 50 3.947 4.026 -0.079 1
1 556 . 20 1 1 A 50 50 GLU CB C 50 29.534 28.702 0.832 1
1 562 . 20 1 1 A 50 50 GLU C C 50 176.796 175.605 1.191 1
1 563 . 20 1 1 A 51 51 ASN N N 51 112.673 115.949 -3.276 1
1 564 . 20 1 1 A 51 51 ASN H H 51 8.535 7.864 0.671 1
1 565 . 20 1 1 A 51 51 ASN CA C 51 53.328 54.134 -0.806 1
1 566 . 20 1 1 A 51 51 ASN HA H 51 4.968 4.843 0.125 1
1 567 . 20 1 1 A 51 51 ASN CB C 51 41.171 41.495 -0.324 1
1 573 . 20 1 1 A 51 51 ASN C C 51 174.756 174.832 -0.076 1
1 574 . 20 1 1 A 52 52 TRP N N 52 121.399 118.100 3.299 1
1 575 . 20 1 1 A 52 52 TRP H H 52 7.726 7.707 0.019 1
1 576 . 20 1 1 A 52 52 TRP CA C 52 57.485 56.556 0.929 1
1 577 . 20 1 1 A 52 52 TRP HA H 52 5.072 4.965 0.107 1
1 578 . 20 1 1 A 52 52 TRP CB C 52 31.703 31.180 0.523 1
1 593 . 20 1 1 A 52 52 TRP C C 52 174.756 175.630 -0.874 1
1 594 . 20 1 1 A 53 53 TYR N N 53 118.564 120.174 -1.610 1
1 595 . 20 1 1 A 53 53 TYR H H 53 8.443 8.776 -0.333 1
1 596 . 20 1 1 A 53 53 TYR CA C 53 57.305 56.059 1.246 1
1 597 . 20 1 1 A 53 53 TYR HA H 53 4.978 5.180 -0.202 1
1 598 . 20 1 1 A 53 53 TYR CB C 53 44.030 43.297 0.733 1
1 609 . 20 1 1 A 53 53 TYR C C 53 174.045 173.745 0.300 1
1 610 . 20 1 1 A 54 54 GLU N N 54 117.557 121.463 -3.906 1
1 611 . 20 1 1 A 54 54 GLU H H 54 8.906 8.264 0.642 1
1 612 . 20 1 1 A 54 54 GLU CA C 54 54.986 54.854 0.132 1
1 613 . 20 1 1 A 54 54 GLU HA H 54 5.059 5.102 -0.043 1
1 614 . 20 1 1 A 54 54 GLU CB C 54 32.458 32.799 -0.341 1
1 620 . 20 1 1 A 54 54 GLU C C 54 176.438 175.171 1.267 1
1 621 . 20 1 1 A 55 55 GLY N N 55 114.051 113.102 0.949 1
1 622 . 20 1 1 A 55 55 GLY H H 55 9.556 8.674 0.882 1
1 623 . 20 1 1 A 55 55 GLY CA C 55 45.816 44.651 1.165 1
1 624 . 20 1 1 A 55 55 GLY HA2 H 55 5.166 4.555 0.611 1
1 625 . 20 1 1 A 55 55 GLY HA3 H 55 3.929 4.745 -0.816 1
1 626 . 20 1 1 A 55 55 GLY C C 55 169.584 172.935 -3.351 1
1 627 . 20 1 1 A 56 56 ARG N N 56 116.523 117.338 -0.815 1
1 628 . 20 1 1 A 56 56 ARG H H 56 9.093 8.513 0.580 1
1 629 . 20 1 1 A 56 56 ARG CA C 56 53.977 54.526 -0.549 1
1 630 . 20 1 1 A 56 56 ARG HA H 56 5.528 5.143 0.385 1
1 631 . 20 1 1 A 56 56 ARG CB C 56 34.963 33.479 1.484 1
1 640 . 20 1 1 A 56 56 ARG C C 56 174.325 175.171 -0.846 1
1 641 . 20 1 1 A 57 57 ILE N N 57 123.690 124.121 -0.431 1
1 642 . 20 1 1 A 57 57 ILE H H 57 8.230 9.060 -0.830 1
1 643 . 20 1 1 A 57 57 ILE CA C 57 59.706 60.599 -0.893 1
1 644 . 20 1 1 A 57 57 ILE HA H 57 4.585 4.536 0.049 1
1 645 . 20 1 1 A 57 57 ILE CB C 57 35.623 38.191 -2.568 1
1 658 . 20 1 1 A 57 57 ILE C C 57 177.239 175.648 1.591 1
1 659 . 20 1 1 A 58 58 THR N N 58 112.797 123.230 -10.433 1
1 660 . 20 1 1 A 58 58 THR H H 58 8.805 8.652 0.153 1
1 661 . 20 1 1 A 58 58 THR CA C 58 65.598 63.679 1.919 1
1 662 . 20 1 1 A 58 58 THR HA H 58 3.857 4.096 -0.239 1
1 663 . 20 1 1 A 58 58 THR CB C 58 68.553 68.970 -0.417 1
1 669 . 20 1 1 A 59 59 GLY CA C 59 45.463 45.898 -0.435 1
1 670 . 20 1 1 A 59 59 GLY HA2 H 59 3.834 3.968 -0.134 1
1 671 . 20 1 1 A 59 59 GLY HA3 H 59 4.266 3.981 0.285 1
1 672 . 20 1 1 A 59 59 GLY C C 59 174.543 174.847 -0.304 1
1 673 . 20 1 1 A 60 60 THR N N 60 108.632 113.433 -4.801 1
1 674 . 20 1 1 A 60 60 THR H H 60 7.779 8.163 -0.384 1
1 675 . 20 1 1 A 60 60 THR CA C 60 61.017 63.218 -2.201 1
1 676 . 20 1 1 A 60 60 THR HA H 60 4.892 4.340 0.552 1
1 677 . 20 1 1 A 60 60 THR CB C 60 72.426 70.229 2.197 1
1 683 . 20 1 1 A 60 60 THR C C 60 175.144 175.865 -0.721 1
1 684 . 20 1 1 A 61 61 GLY CA C 61 45.320 45.005 0.315 1
1 685 . 20 1 1 A 61 61 GLY HA2 H 61 3.930 4.060 -0.130 1
1 686 . 20 1 1 A 61 61 GLY HA3 H 61 4.183 4.067 0.116 1
1 687 . 20 1 1 A 61 61 GLY C C 61 174.641 174.580 0.061 1
1 688 . 20 1 1 A 62 62 ARG N N 62 121.575 120.631 0.944 1
1 689 . 20 1 1 A 62 62 ARG H H 62 8.229 7.916 0.313 1
1 690 . 20 1 1 A 62 62 ARG CA C 62 56.440 55.681 0.759 1
1 691 . 20 1 1 A 62 62 ARG HA H 62 4.380 4.473 -0.093 1
1 692 . 20 1 1 A 62 62 ARG CB C 62 30.667 30.596 0.071 1
1 701 . 20 1 1 A 62 62 ARG C C 62 174.530 175.683 -1.153 1
1 702 . 20 1 1 A 63 63 GLN N N 63 124.206 122.547 1.659 1
1 703 . 20 1 1 A 63 63 GLN H H 63 8.473 8.624 -0.151 1
1 704 . 20 1 1 A 63 63 GLN CA C 63 54.768 53.967 0.801 1
1 705 . 20 1 1 A 63 63 GLN HA H 63 5.449 5.213 0.236 1
1 706 . 20 1 1 A 63 63 GLN CB C 63 32.243 31.830 0.413 1
1 715 . 20 1 1 A 63 63 GLN C C 63 174.555 174.970 -0.415 1
1 716 . 20 1 1 A 64 64 GLY N N 64 111.132 106.182 4.950 1
1 717 . 20 1 1 A 64 64 GLY H H 64 8.962 8.405 0.557 1
1 718 . 20 1 1 A 64 64 GLY CA C 64 45.780 45.925 -0.145 1
1 719 . 20 1 1 A 64 64 GLY HA2 H 64 4.498 4.308 0.190 1
1 720 . 20 1 1 A 64 64 GLY HA3 H 64 4.351 4.362 -0.011 1
1 721 . 20 1 1 A 64 64 GLY C C 64 172.117 171.974 0.143 1
1 722 . 20 1 1 A 65 65 ILE N N 65 114.051 118.461 -4.410 1
1 723 . 20 1 1 A 65 65 ILE H H 65 8.824 8.923 -0.099 1
1 724 . 20 1 1 A 65 65 ILE CA C 65 59.949 58.537 1.412 1
1 725 . 20 1 1 A 65 65 ILE HA H 65 6.195 5.150 1.045 1
1 726 . 20 1 1 A 65 65 ILE CB C 65 41.669 41.728 -0.059 1
1 739 . 20 1 1 A 65 65 ILE C C 65 176.874 174.801 2.073 1
1 740 . 20 1 1 A 66 66 PHE N N 66 116.902 118.546 -1.644 1
1 741 . 20 1 1 A 66 66 PHE H H 66 8.770 8.608 0.162 1
1 742 . 20 1 1 A 66 66 PHE CA C 66 56.114 55.426 0.688 1
1 743 . 20 1 1 A 66 66 PHE HA H 66 4.952 4.991 -0.039 1
1 744 . 20 1 1 A 66 66 PHE CB C 66 38.504 39.661 -1.157 1
1 757 . 20 1 1 A 66 66 PHE C C 66 170.992 171.649 -0.657 1
1 758 . 20 1 1 A 67 67 PRO CA C 67 61.161 62.748 -1.587 1
1 759 . 20 1 1 A 67 67 PRO HA H 67 3.678 4.252 -0.574 1
1 760 . 20 1 1 A 67 67 PRO CB C 67 30.788 31.757 -0.969 1
1 769 . 20 1 1 A 67 67 PRO C C 67 177.819 177.590 0.229 1
1 770 . 20 1 1 A 68 68 ALA N N 68 126.195 128.140 -1.945 1
1 771 . 20 1 1 A 68 68 ALA H H 68 8.458 8.526 -0.068 1
1 772 . 20 1 1 A 68 68 ALA CA C 68 54.676 55.486 -0.810 1
1 773 . 20 1 1 A 68 68 ALA HA H 68 4.008 4.159 -0.151 1
1 774 . 20 1 1 A 68 68 ALA CB C 68 18.986 18.573 0.413 1
1 778 . 20 1 1 A 68 68 ALA C C 68 178.933 179.727 -0.794 1
1 779 . 20 1 1 A 69 69 SER N N 69 110.156 112.822 -2.666 1
1 780 . 20 1 1 A 69 69 SER H H 69 8.370 8.375 -0.005 1
1 781 . 20 1 1 A 69 69 SER CA C 69 60.250 61.061 -0.811 1
1 782 . 20 1 1 A 69 69 SER HA H 69 4.265 4.140 0.125 1
1 783 . 20 1 1 A 69 69 SER CB C 69 62.718 62.957 -0.239 1
1 786 . 20 1 1 A 69 69 SER C C 69 175.748 176.025 -0.277 1
1 787 . 20 1 1 A 70 70 TYR N N 70 119.475 117.722 1.753 1
1 788 . 20 1 1 A 70 70 TYR H H 70 7.728 7.889 -0.161 1
1 789 . 20 1 1 A 70 70 TYR CA C 70 60.061 60.100 -0.039 1
1 790 . 20 1 1 A 70 70 TYR HA H 70 4.620 4.287 0.333 1
1 791 . 20 1 1 A 70 70 TYR CB C 70 39.039 39.398 -0.359 1
1 802 . 20 1 1 A 70 70 TYR C C 70 176.140 176.231 -0.091 1
1 803 . 20 1 1 A 71 71 VAL N N 71 110.320 116.046 -5.726 1
1 804 . 20 1 1 A 71 71 VAL H H 71 8.064 7.783 0.281 1
1 805 . 20 1 1 A 71 71 VAL CA C 71 58.737 59.969 -1.232 1
1 806 . 20 1 1 A 71 71 VAL HA H 71 5.073 4.538 0.535 1
1 807 . 20 1 1 A 71 71 VAL CB C 71 35.550 34.075 1.475 1
1 817 . 20 1 1 A 71 71 VAL C C 71 173.044 173.957 -0.913 1
1 818 . 20 1 1 A 72 72 GLN N N 72 119.621 121.369 -1.748 1
1 819 . 20 1 1 A 72 72 GLN H H 72 8.448 8.856 -0.408 1
1 820 . 20 1 1 A 72 72 GLN CA C 72 54.351 54.073 0.278 1
1 821 . 20 1 1 A 72 72 GLN HA H 72 4.724 4.874 -0.150 1
1 822 . 20 1 1 A 72 72 GLN CB C 72 30.373 32.093 -1.720 1
1 831 . 20 1 1 A 72 72 GLN C C 72 176.050 174.463 1.587 1
1 832 . 20 1 1 A 73 73 VAL N N 73 130.439 127.714 2.725 1
1 833 . 20 1 1 A 73 73 VAL H H 73 9.369 8.892 0.477 1
1 834 . 20 1 1 A 73 73 VAL CA C 73 63.957 62.694 1.263 1
1 835 . 20 1 1 A 73 73 VAL HA H 73 3.856 3.972 -0.116 1
1 836 . 20 1 1 A 73 73 VAL CB C 73 32.616 31.264 1.352 1
1 846 . 20 1 1 A 73 73 VAL C C 73 176.043 175.977 0.066 1
1 847 . 20 1 1 A 74 74 SER N N 74 123.766 123.068 0.698 1
1 848 . 20 1 1 A 74 74 SER H H 74 8.708 8.744 -0.036 1
1 849 . 20 1 1 A 74 74 SER CA C 74 58.930 59.578 -0.648 1
1 850 . 20 1 1 A 74 74 SER HA H 74 4.627 4.499 0.128 1
1 851 . 20 1 1 A 74 74 SER CB C 74 63.548 64.648 -1.100 1
1 854 . 20 1 1 A 74 74 SER C C 74 174.821 173.783 1.038 1
1 855 . 20 1 1 A 75 75 ARG N N 75 122.335 119.363 2.972 1
1 856 . 20 1 1 A 75 75 ARG H H 75 7.690 7.209 0.481 1
1 857 . 20 1 1 A 75 75 ARG CA C 75 56.185 55.518 0.667 1
1 858 . 20 1 1 A 75 75 ARG HA H 75 4.526 4.801 -0.275 1
1 859 . 20 1 1 A 75 75 ARG CB C 75 33.734 33.362 0.372 1
1 868 . 20 1 1 A 75 75 ARG C C 75 174.824 174.097 0.727 1
1 869 . 20 1 1 A 76 76 GLU N N 76 126.797 126.038 0.759 1
1 870 . 20 1 1 A 76 76 GLU H H 76 8.916 8.646 0.270 1
1 871 . 20 1 1 A 76 76 GLU CA C 76 54.874 54.755 0.119 1
1 872 . 20 1 1 A 76 76 GLU HA H 76 4.561 4.599 -0.038 1
1 873 . 20 1 1 A 76 76 GLU CB C 76 28.925 29.182 -0.257 1
1 879 . 20 1 1 A 76 76 GLU C C 76 175.557 174.756 0.801 1
1 880 . 20 1 1 A 77 77 PRO CA C 77 62.726 62.990 -0.264 1
1 881 . 20 1 1 A 77 77 PRO HA H 77 4.584 4.675 -0.091 1
1 882 . 20 1 1 A 77 77 PRO CB C 77 32.153 32.041 0.112 1
1 891 . 20 1 1 A 78 78 ARG N N 78 120.959 119.819 1.140 1
1 892 . 20 1 1 A 78 78 ARG H H 78 8.814 8.420 0.394 1
1 893 . 20 1 1 A 78 78 ARG CA C 78 55.491 56.411 -0.920 1
1 894 . 20 1 1 A 78 78 ARG HA H 78 4.743 4.512 0.231 1
1 895 . 20 1 1 A 78 78 ARG CB C 78 33.443 31.745 1.698 1
1 904 . 20 1 1 A 79 79 LEU N N 79 125.756 117.101 8.655 1
1 905 . 20 1 1 A 79 79 LEU H H 79 8.789 7.915 0.874 1
1 906 . 20 1 1 A 79 79 LEU CA C 79 54.346 56.112 -1.766 1
1 907 . 20 1 1 A 79 79 LEU HA H 79 5.007 4.061 0.946 1
1 908 . 20 1 1 A 79 79 LEU CB C 79 44.609 40.435 4.174 1
1 917 . 20 1 1 A 80 80 ARG N N 80 121.792 120.336 1.456 1
1 918 . 20 1 1 A 80 80 ARG H H 80 8.908 8.041 0.867 1
1 919 . 20 1 1 A 80 80 ARG CA C 80 54.966 58.445 -3.479 1
1 920 . 20 1 1 A 80 80 ARG HA H 80 4.611 4.054 0.557 1
1 921 . 20 1 1 A 80 80 ARG CB C 80 32.686 29.866 2.820 1
1 924 . 20 1 1 A 81 81 LEU N N 81 126.556 116.625 9.931 1
1 925 . 20 1 1 A 81 81 LEU H H 81 8.702 8.065 0.637 1
1 926 . 20 1 1 A 81 81 LEU CA C 81 55.199 57.619 -2.420 1
1 927 . 20 1 1 A 81 81 LEU HA H 81 4.472 4.198 0.274 1
1 928 . 20 1 1 A 81 81 LEU CB C 81 42.368 41.651 0.717 1
1 941 . 20 1 1 A 82 82 CYS N N 82 121.583 117.567 4.016 1
1 942 . 20 1 1 A 82 82 CYS H H 82 8.466 7.779 0.687 1
1 943 . 20 1 1 A 82 82 CYS CA C 82 58.583 57.714 0.869 1
1 944 . 20 1 1 A 82 82 CYS HA H 82 4.475 4.825 -0.350 1
1 945 . 20 1 1 A 82 82 CYS CB C 82 28.438 30.970 -2.532 1
1 948 . 20 1 1 A 83 83 ASP N N 83 122.639 126.287 -3.648 1
1 949 . 20 1 1 A 83 83 ASP H H 83 8.400 8.795 -0.395 1
1 950 . 20 1 1 A 83 83 ASP CA C 83 54.210 53.193 1.017 1
1 951 . 20 1 1 A 83 83 ASP HA H 83 4.654 5.011 -0.357 1
1 952 . 20 1 1 A 83 83 ASP CB C 83 41.291 43.520 -2.229 1
1 955 . 20 1 1 A 83 83 ASP C C 83 175.900 175.983 -0.083 1
1 956 . 20 1 1 A 84 84 ASP N N 84 121.113 123.181 -2.068 1
1 957 . 20 1 1 A 84 84 ASP H H 84 8.310 8.748 -0.438 1
1 958 . 20 1 1 A 84 84 ASP CA C 84 54.330 55.945 -1.615 1
1 959 . 20 1 1 A 84 84 ASP HA H 84 4.650 4.693 -0.043 1
1 960 . 20 1 1 A 84 84 ASP CB C 84 41.283 41.904 -0.621 1
1 963 . 20 1 1 A 84 84 ASP C C 84 176.407 176.580 -0.173 1
1 964 . 20 1 1 A 85 85 SER N N 85 116.212 114.843 1.369 1
1 965 . 20 1 1 A 85 85 SER H H 85 8.332 7.958 0.374 1
1 966 . 20 1 1 A 85 85 SER CA C 85 58.819 60.025 -1.206 1
1 967 . 20 1 1 A 85 85 SER HA H 85 4.438 4.306 0.132 1
1 968 . 20 1 1 A 85 85 SER CB C 85 63.961 63.628 0.333 1
1 971 . 20 1 1 A 85 85 SER C C 85 174.867 174.523 0.344 1
1 972 . 20 1 1 A 86 86 GLY N N 86 110.652 110.674 -0.022 1
1 973 . 20 1 1 A 86 86 GLY H H 86 8.251 8.329 -0.078 1
1 974 . 20 1 1 A 86 86 GLY CA C 86 44.758 46.109 -1.351 1
1 975 . 20 1 1 A 86 86 GLY HA2 H 86 4.109 4.167 -0.058 1
1 976 . 20 1 1 A 86 86 GLY HA3 H 86 4.109 4.167 -0.058 1
1 977 . 20 1 1 A 86 86 GLY C C 86 171.914 172.658 -0.744 1
1 978 . 20 1 1 A 87 87 PRO CA C 87 63.192 62.838 0.354 1
1 979 . 20 1 1 A 87 87 PRO HA H 87 4.484 4.708 -0.224 1
1 980 . 20 1 1 A 87 87 PRO CB C 87 32.243 31.436 0.807 1
1 989 . 20 1 1 A 87 87 PRO C C 87 177.470 176.080 1.390 1
1 990 . 20 1 1 A 88 88 SER N N 88 116.433 114.240 2.193 1
1 991 . 20 1 1 A 88 88 SER H H 88 8.518 8.310 0.208 1
1 992 . 20 1 1 A 88 88 SER CA C 88 58.330 57.373 0.957 1
1 993 . 20 1 1 A 88 88 SER HA H 88 4.571 4.925 -0.354 1
1 994 . 20 1 1 A 88 88 SER CB C 88 63.896 66.388 -2.492 1
1 997 . 20 1 1 A 88 88 SER C C 88 174.747 173.625 1.122 1
1 998 . 20 1 1 A 89 89 SER N N 89 117.882 115.362 2.520 1
1 999 . 20 1 1 A 89 89 SER H H 89 8.335 8.476 -0.141 1
1 1000 . 20 1 1 A 89 89 SER CA C 89 58.497 56.709 1.788 1
1 1001 . 20 1 1 A 89 89 SER CB C 89 64.209 63.091 1.118 1
1 1004 . 20 1 1 A 89 89 SER C C 89 174.100 174.278 -0.178 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 65 1.146 1
2 1 1 1 "RMS(OBS, PRED)" CA 83 1.273 1
3 1 1 1 "RMS(OBS, PRED)" CB 74 1.544 1
4 1 1 1 "RMS(OBS, PRED)" H 75 0.559 1
5 1 1 1 "RMS(OBS, PRED)" HA 91 0.387 1
6 1 1 1 "RMS(OBS, PRED)" N 73 4.601 1
7 1 2 1 "RMS(OBS, PRED)" C 65 1.102 1
8 1 2 1 "RMS(OBS, PRED)" CA 83 1.242 1
9 1 2 1 "RMS(OBS, PRED)" CB 74 1.788 1
10 1 2 1 "RMS(OBS, PRED)" H 75 0.495 1
11 1 2 1 "RMS(OBS, PRED)" HA 91 0.391 1
12 1 2 1 "RMS(OBS, PRED)" N 73 4.565 1
13 1 3 1 "RMS(OBS, PRED)" C 65 1.081 1
14 1 3 1 "RMS(OBS, PRED)" CA 83 1.310 1
15 1 3 1 "RMS(OBS, PRED)" CB 74 1.680 1
16 1 3 1 "RMS(OBS, PRED)" H 75 0.560 1
17 1 3 1 "RMS(OBS, PRED)" HA 91 0.392 1
18 1 3 1 "RMS(OBS, PRED)" N 73 4.087 1
19 1 4 1 "RMS(OBS, PRED)" C 65 1.213 1
20 1 4 1 "RMS(OBS, PRED)" CA 83 1.314 1
21 1 4 1 "RMS(OBS, PRED)" CB 74 1.732 1
22 1 4 1 "RMS(OBS, PRED)" H 75 0.537 1
23 1 4 1 "RMS(OBS, PRED)" HA 91 0.387 1
24 1 4 1 "RMS(OBS, PRED)" N 73 4.571 1
25 1 5 1 "RMS(OBS, PRED)" C 65 1.137 1
26 1 5 1 "RMS(OBS, PRED)" CA 83 1.128 1
27 1 5 1 "RMS(OBS, PRED)" CB 74 1.454 1
28 1 5 1 "RMS(OBS, PRED)" H 75 0.531 1
29 1 5 1 "RMS(OBS, PRED)" HA 91 0.320 1
30 1 5 1 "RMS(OBS, PRED)" N 73 4.233 1
31 1 6 1 "RMS(OBS, PRED)" C 65 1.093 1
32 1 6 1 "RMS(OBS, PRED)" CA 83 1.104 1
33 1 6 1 "RMS(OBS, PRED)" CB 74 1.476 1
34 1 6 1 "RMS(OBS, PRED)" H 75 0.521 1
35 1 6 1 "RMS(OBS, PRED)" HA 91 0.376 1
36 1 6 1 "RMS(OBS, PRED)" N 73 3.907 1
37 1 7 1 "RMS(OBS, PRED)" C 65 1.056 1
38 1 7 1 "RMS(OBS, PRED)" CA 83 1.286 1
39 1 7 1 "RMS(OBS, PRED)" CB 74 1.506 1
40 1 7 1 "RMS(OBS, PRED)" H 75 0.571 1
41 1 7 1 "RMS(OBS, PRED)" HA 91 0.387 1
42 1 7 1 "RMS(OBS, PRED)" N 73 4.516 1
43 1 8 1 "RMS(OBS, PRED)" C 65 1.057 1
44 1 8 1 "RMS(OBS, PRED)" CA 83 1.260 1
45 1 8 1 "RMS(OBS, PRED)" CB 74 1.594 1
46 1 8 1 "RMS(OBS, PRED)" H 75 0.556 1
47 1 8 1 "RMS(OBS, PRED)" HA 91 0.372 1
48 1 8 1 "RMS(OBS, PRED)" N 73 4.218 1
49 1 9 1 "RMS(OBS, PRED)" C 65 1.106 1
50 1 9 1 "RMS(OBS, PRED)" CA 83 1.166 1
51 1 9 1 "RMS(OBS, PRED)" CB 74 1.456 1
52 1 9 1 "RMS(OBS, PRED)" H 75 0.509 1
53 1 9 1 "RMS(OBS, PRED)" HA 91 0.391 1
54 1 9 1 "RMS(OBS, PRED)" N 73 4.660 1
55 1 10 1 "RMS(OBS, PRED)" C 65 1.085 1
56 1 10 1 "RMS(OBS, PRED)" CA 83 1.055 1
57 1 10 1 "RMS(OBS, PRED)" CB 74 1.644 1
58 1 10 1 "RMS(OBS, PRED)" H 75 0.596 1
59 1 10 1 "RMS(OBS, PRED)" HA 91 0.374 1
60 1 10 1 "RMS(OBS, PRED)" N 73 4.303 1
61 1 11 1 "RMS(OBS, PRED)" C 65 1.065 1
62 1 11 1 "RMS(OBS, PRED)" CA 83 1.199 1
63 1 11 1 "RMS(OBS, PRED)" CB 74 1.507 1
64 1 11 1 "RMS(OBS, PRED)" H 75 0.553 1
65 1 11 1 "RMS(OBS, PRED)" HA 91 0.381 1
66 1 11 1 "RMS(OBS, PRED)" N 73 4.129 1
67 1 12 1 "RMS(OBS, PRED)" C 65 1.126 1
68 1 12 1 "RMS(OBS, PRED)" CA 83 1.172 1
69 1 12 1 "RMS(OBS, PRED)" CB 74 1.651 1
70 1 12 1 "RMS(OBS, PRED)" H 75 0.565 1
71 1 12 1 "RMS(OBS, PRED)" HA 91 0.402 1
72 1 12 1 "RMS(OBS, PRED)" N 73 4.401 1
73 1 13 1 "RMS(OBS, PRED)" C 65 1.094 1
74 1 13 1 "RMS(OBS, PRED)" CA 83 1.157 1
75 1 13 1 "RMS(OBS, PRED)" CB 74 1.640 1
76 1 13 1 "RMS(OBS, PRED)" H 75 0.565 1
77 1 13 1 "RMS(OBS, PRED)" HA 91 0.375 1
78 1 13 1 "RMS(OBS, PRED)" N 73 4.078 1
79 1 14 1 "RMS(OBS, PRED)" C 65 1.107 1
80 1 14 1 "RMS(OBS, PRED)" CA 83 0.967 1
81 1 14 1 "RMS(OBS, PRED)" CB 74 1.542 1
82 1 14 1 "RMS(OBS, PRED)" H 75 0.594 1
83 1 14 1 "RMS(OBS, PRED)" HA 91 0.409 1
84 1 14 1 "RMS(OBS, PRED)" N 73 3.758 1
85 1 15 1 "RMS(OBS, PRED)" C 65 1.105 1
86 1 15 1 "RMS(OBS, PRED)" CA 83 1.170 1
87 1 15 1 "RMS(OBS, PRED)" CB 74 1.614 1
88 1 15 1 "RMS(OBS, PRED)" H 75 0.547 1
89 1 15 1 "RMS(OBS, PRED)" HA 91 0.388 1
90 1 15 1 "RMS(OBS, PRED)" N 73 4.016 1
91 1 16 1 "RMS(OBS, PRED)" C 65 1.127 1
92 1 16 1 "RMS(OBS, PRED)" CA 83 1.313 1
93 1 16 1 "RMS(OBS, PRED)" CB 74 1.663 1
94 1 16 1 "RMS(OBS, PRED)" H 75 0.543 1
95 1 16 1 "RMS(OBS, PRED)" HA 91 0.393 1
96 1 16 1 "RMS(OBS, PRED)" N 73 4.036 1
97 1 17 1 "RMS(OBS, PRED)" C 65 1.199 1
98 1 17 1 "RMS(OBS, PRED)" CA 83 1.235 1
99 1 17 1 "RMS(OBS, PRED)" CB 74 1.665 1
100 1 17 1 "RMS(OBS, PRED)" H 75 0.505 1
101 1 17 1 "RMS(OBS, PRED)" HA 91 0.409 1
102 1 17 1 "RMS(OBS, PRED)" N 73 4.423 1
103 1 18 1 "RMS(OBS, PRED)" C 65 1.011 1
104 1 18 1 "RMS(OBS, PRED)" CA 83 1.299 1
105 1 18 1 "RMS(OBS, PRED)" CB 74 1.690 1
106 1 18 1 "RMS(OBS, PRED)" H 75 0.615 1
107 1 18 1 "RMS(OBS, PRED)" HA 91 0.432 1
108 1 18 1 "RMS(OBS, PRED)" N 73 4.293 1
109 1 19 1 "RMS(OBS, PRED)" C 65 1.091 1
110 1 19 1 "RMS(OBS, PRED)" CA 83 1.104 1
111 1 19 1 "RMS(OBS, PRED)" CB 74 1.670 1
112 1 19 1 "RMS(OBS, PRED)" H 75 0.509 1
113 1 19 1 "RMS(OBS, PRED)" HA 91 0.373 1
114 1 19 1 "RMS(OBS, PRED)" N 73 4.693 1
115 1 20 1 "RMS(OBS, PRED)" C 65 1.154 1
116 1 20 1 "RMS(OBS, PRED)" CA 83 1.179 1
117 1 20 1 "RMS(OBS, PRED)" CB 74 1.639 1
118 1 20 1 "RMS(OBS, PRED)" H 75 0.588 1
119 1 20 1 "RMS(OBS, PRED)" HA 91 0.376 1
120 1 20 1 "RMS(OBS, PRED)" N 73 4.215 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.146 45.612 -0.466 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.966 4.094 -0.128 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.966 4.095 -0.129 2
1 4 . 1 1 A 7 7 GLY C C 7 173.687 172.785 0.902 2
1 5 . 1 1 A 8 8 LYS N N 8 122.140 120.478 1.662 2
1 6 . 1 1 A 8 8 LYS H H 8 8.107 8.329 -0.222 2
1 7 . 1 1 A 8 8 LYS CA C 8 54.053 53.879 0.175 2
1 8 . 1 1 A 8 8 LYS HA H 8 4.620 4.801 -0.181 2
1 9 . 1 1 A 8 8 LYS CB C 8 32.649 34.143 -1.494 2
1 21 . 1 1 A 8 8 LYS C C 8 174.270 174.513 -0.243 2
1 22 . 1 1 A 9 9 PRO CA C 9 61.632 61.736 -0.104 2
1 23 . 1 1 A 9 9 PRO HA H 9 4.687 4.659 0.028 2
1 24 . 1 1 A 9 9 PRO CB C 9 30.855 31.913 -1.058 2
1 33 . 1 1 A 10 10 PRO CA C 10 62.942 63.459 -0.517 2
1 34 . 1 1 A 10 10 PRO HA H 10 4.473 4.555 -0.082 2
1 35 . 1 1 A 10 10 PRO CB C 10 32.197 31.962 0.235 2
1 44 . 1 1 A 11 11 THR N N 11 128.434 112.907 15.527 2
1 45 . 1 1 A 11 11 THR H H 11 8.172 8.211 -0.039 2
1 46 . 1 1 A 11 11 THR CA C 11 61.644 61.568 0.076 2
1 47 . 1 1 A 11 11 THR HA H 11 4.357 4.711 -0.354 2
1 48 . 1 1 A 11 11 THR CB C 11 70.204 70.938 -0.734 2
1 54 . 1 1 A 12 12 TYR N N 12 120.312 123.430 -3.118 2
1 55 . 1 1 A 12 12 TYR H H 12 8.033 8.582 -0.549 2
1 56 . 1 1 A 12 12 TYR CA C 12 56.633 57.228 -0.595 2
1 57 . 1 1 A 12 12 TYR HA H 12 4.967 4.687 0.280 2
1 58 . 1 1 A 12 12 TYR CB C 12 40.403 38.958 1.445 2
1 69 . 1 1 A 13 13 GLN H H 13 8.634 8.479 0.155 2
1 70 . 1 1 A 13 13 GLN CA C 13 54.519 55.934 -1.415 2
1 71 . 1 1 A 13 13 GLN HA H 13 4.626 4.372 0.254 2
1 72 . 1 1 A 13 13 GLN CB C 13 31.183 29.057 2.126 2
1 81 . 1 1 A 14 14 VAL N N 14 124.270 119.310 4.960 2
1 82 . 1 1 A 14 14 VAL H H 14 8.773 7.894 0.879 2
1 83 . 1 1 A 14 14 VAL CA C 14 62.977 62.932 0.045 2
1 84 . 1 1 A 14 14 VAL HA H 14 4.018 4.034 -0.016 2
1 85 . 1 1 A 14 14 VAL CB C 14 32.909 31.180 1.729 2
1 95 . 1 1 A 15 15 LEU N N 15 128.403 123.310 5.093 2
1 96 . 1 1 A 15 15 LEU H H 15 8.726 8.053 0.673 2
1 97 . 1 1 A 15 15 LEU CA C 15 55.620 55.364 0.256 2
1 98 . 1 1 A 15 15 LEU HA H 15 4.412 4.525 -0.113 2
1 99 . 1 1 A 15 15 LEU CB C 15 42.580 42.908 -0.328 2
1 112 . 1 1 A 16 16 GLU H H 16 8.687 8.564 0.123 2
1 113 . 1 1 A 16 16 GLU CA C 16 55.492 57.478 -1.986 2
1 114 . 1 1 A 16 16 GLU HA H 16 4.401 4.379 0.022 2
1 115 . 1 1 A 16 16 GLU CB C 16 32.409 29.948 2.461 2
1 120 . 1 1 A 17 17 TYR N N 17 124.726 119.582 5.144 2
1 121 . 1 1 A 17 17 TYR H H 17 8.505 7.935 0.570 2
1 122 . 1 1 A 17 17 TYR CA C 17 58.490 57.475 1.015 2
1 123 . 1 1 A 17 17 TYR HA H 17 4.598 4.739 -0.141 2
1 124 . 1 1 A 17 17 TYR CB C 17 38.814 40.395 -1.581 2
1 135 . 1 1 A 18 18 GLY N N 18 106.652 110.598 -3.946 2
1 136 . 1 1 A 18 18 GLY H H 18 9.176 8.409 0.767 2
1 137 . 1 1 A 18 18 GLY CA C 18 43.947 44.761 -0.814 2
1 138 . 1 1 A 18 18 GLY HA2 H 18 3.646 4.083 -0.438 2
1 139 . 1 1 A 18 18 GLY HA3 H 18 4.287 4.096 0.191 2
1 140 . 1 1 A 19 19 GLU N N 19 122.571 121.450 1.121 2
1 141 . 1 1 A 19 19 GLU H H 19 9.450 8.511 0.939 2
1 142 . 1 1 A 19 19 GLU CA C 19 56.496 55.149 1.347 2
1 143 . 1 1 A 19 19 GLU HA H 19 5.218 5.183 0.035 2
1 144 . 1 1 A 19 19 GLU CB C 19 34.419 33.090 1.329 2
1 149 . 1 1 A 19 19 GLU C C 19 173.496 175.141 -1.645 2
1 150 . 1 1 A 20 20 ALA N N 20 125.442 127.861 -2.419 2
1 151 . 1 1 A 20 20 ALA H H 20 8.813 8.689 0.124 2
1 152 . 1 1 A 20 20 ALA CA C 20 50.154 50.817 -0.663 2
1 153 . 1 1 A 20 20 ALA HA H 20 5.132 5.236 -0.104 2
1 154 . 1 1 A 20 20 ALA CB C 20 24.742 23.501 1.241 2
1 158 . 1 1 A 20 20 ALA C C 20 174.555 175.189 -0.634 2
1 159 . 1 1 A 21 21 VAL N N 21 117.729 119.696 -1.967 2
1 160 . 1 1 A 21 21 VAL H H 21 8.118 8.623 -0.505 2
1 161 . 1 1 A 21 21 VAL CA C 21 60.211 60.267 -0.055 2
1 162 . 1 1 A 21 21 VAL HA H 21 4.478 4.371 0.107 2
1 163 . 1 1 A 21 21 VAL CB C 21 34.751 34.913 -0.162 2
1 173 . 1 1 A 21 21 VAL C C 21 176.351 175.102 1.248 2
1 174 . 1 1 A 22 22 ALA N N 22 130.024 129.549 0.475 2
1 175 . 1 1 A 22 22 ALA H H 22 8.689 8.297 0.391 2
1 176 . 1 1 A 22 22 ALA CA C 22 53.496 52.800 0.696 2
1 177 . 1 1 A 22 22 ALA HA H 22 4.170 4.137 0.033 2
1 178 . 1 1 A 22 22 ALA CB C 22 20.793 18.858 1.935 2
1 182 . 1 1 A 22 22 ALA C C 22 178.156 176.685 1.471 2
1 183 . 1 1 A 23 23 GLN N N 23 126.904 122.614 4.290 2
1 184 . 1 1 A 23 23 GLN H H 23 9.442 8.620 0.822 2
1 185 . 1 1 A 23 23 GLN CA C 23 55.611 57.159 -1.548 2
1 186 . 1 1 A 23 23 GLN HA H 23 4.202 4.367 -0.165 2
1 187 . 1 1 A 23 23 GLN CB C 23 30.345 30.329 0.016 2
1 196 . 1 1 A 23 23 GLN C C 23 173.200 175.601 -2.401 2
1 197 . 1 1 A 24 24 TYR N N 24 115.157 116.206 -1.049 2
1 198 . 1 1 A 24 24 TYR H H 24 7.696 7.719 -0.023 2
1 199 . 1 1 A 24 24 TYR CA C 24 55.303 56.750 -1.447 2
1 200 . 1 1 A 24 24 TYR HA H 24 4.847 5.265 -0.418 2
1 201 . 1 1 A 24 24 TYR CB C 24 43.087 41.832 1.255 2
1 212 . 1 1 A 24 24 TYR C C 24 173.829 175.972 -2.143 2
1 213 . 1 1 A 25 25 THR N N 25 118.997 119.521 -0.524 2
1 214 . 1 1 A 25 25 THR H H 25 8.697 8.965 -0.268 2
1 215 . 1 1 A 25 25 THR CA C 25 63.201 63.721 -0.520 2
1 216 . 1 1 A 25 25 THR HA H 25 4.483 4.500 -0.017 2
1 217 . 1 1 A 25 25 THR CB C 25 70.228 68.989 1.239 2
1 223 . 1 1 A 25 25 THR C C 25 173.214 174.049 -0.835 2
1 224 . 1 1 A 26 26 PHE N N 26 129.691 127.213 2.478 2
1 225 . 1 1 A 26 26 PHE H H 26 8.460 8.429 0.031 2
1 226 . 1 1 A 26 26 PHE CA C 26 55.887 57.025 -1.137 2
1 227 . 1 1 A 26 26 PHE HA H 26 4.631 5.105 -0.474 2
1 228 . 1 1 A 26 26 PHE CB C 26 42.134 41.406 0.728 2
1 241 . 1 1 A 26 26 PHE C C 26 173.089 174.051 -0.962 2
1 242 . 1 1 A 27 27 LYS N N 27 129.755 125.640 4.115 2
1 243 . 1 1 A 27 27 LYS H H 27 7.879 7.457 0.422 2
1 244 . 1 1 A 27 27 LYS CA C 27 54.562 54.529 0.033 2
1 245 . 1 1 A 27 27 LYS HA H 27 4.023 4.852 -0.829 2
1 246 . 1 1 A 27 27 LYS CB C 27 32.490 35.540 -3.050 2
1 258 . 1 1 A 27 27 LYS C C 27 174.852 174.710 0.142 2
1 259 . 1 1 A 28 28 GLY N N 28 113.171 113.002 0.169 2
1 260 . 1 1 A 28 28 GLY H H 28 7.726 8.469 -0.743 2
1 261 . 1 1 A 28 28 GLY CA C 28 45.922 44.959 0.963 2
1 262 . 1 1 A 28 28 GLY HA2 H 28 3.151 4.330 -1.179 2
1 263 . 1 1 A 28 28 GLY HA3 H 28 3.619 4.511 -0.892 2
1 264 . 1 1 A 28 28 GLY C C 28 173.250 173.691 -0.441 2
1 265 . 1 1 A 29 29 ASP N N 29 121.578 120.975 0.603 2
1 266 . 1 1 A 29 29 ASP H H 29 8.743 8.697 0.046 2
1 267 . 1 1 A 29 29 ASP CA C 29 55.162 55.111 0.051 2
1 268 . 1 1 A 29 29 ASP HA H 29 4.616 4.753 -0.137 2
1 269 . 1 1 A 29 29 ASP CB C 29 42.815 42.447 0.368 2
1 272 . 1 1 A 29 29 ASP C C 29 176.583 176.377 0.206 2
1 273 . 1 1 A 30 30 LEU N N 30 119.139 120.560 -1.421 2
1 274 . 1 1 A 30 30 LEU H H 30 8.069 7.631 0.438 2
1 275 . 1 1 A 30 30 LEU CA C 30 54.174 54.769 -0.595 2
1 276 . 1 1 A 30 30 LEU HA H 30 4.585 4.316 0.269 2
1 277 . 1 1 A 30 30 LEU CB C 30 44.109 42.319 1.790 2
1 290 . 1 1 A 30 30 LEU C C 30 179.241 177.992 1.249 2
1 291 . 1 1 A 31 31 GLU N N 31 122.182 123.447 -1.265 2
1 292 . 1 1 A 31 31 GLU H H 31 8.905 9.028 -0.123 2
1 293 . 1 1 A 31 31 GLU CA C 31 59.392 59.837 -0.445 2
1 294 . 1 1 A 31 31 GLU HA H 31 4.151 3.966 0.185 2
1 295 . 1 1 A 31 31 GLU CB C 31 29.605 29.631 -0.026 2
1 301 . 1 1 A 31 31 GLU C C 31 177.520 178.333 -0.813 2
1 302 . 1 1 A 32 32 VAL N N 32 108.281 117.486 -9.205 2
1 303 . 1 1 A 32 32 VAL H H 32 7.186 7.883 -0.697 2
1 304 . 1 1 A 32 32 VAL CA C 32 61.950 65.219 -3.269 2
1 305 . 1 1 A 32 32 VAL HA H 32 4.365 3.922 0.443 2
1 306 . 1 1 A 32 32 VAL CB C 32 32.222 31.400 0.822 2
1 316 . 1 1 A 32 32 VAL C C 32 176.602 176.503 0.099 2
1 317 . 1 1 A 33 33 GLU N N 33 120.835 121.929 -1.094 2
1 318 . 1 1 A 33 33 GLU H H 33 7.751 7.911 -0.160 2
1 319 . 1 1 A 33 33 GLU CA C 33 55.560 56.156 -0.596 2
1 320 . 1 1 A 33 33 GLU HA H 33 5.106 4.627 0.479 2
1 321 . 1 1 A 33 33 GLU CB C 33 31.354 29.802 1.552 2
1 327 . 1 1 A 33 33 GLU C C 33 176.180 175.745 0.435 2
1 328 . 1 1 A 34 34 LEU N N 34 126.568 128.297 -1.729 2
1 329 . 1 1 A 34 34 LEU H H 34 9.073 8.823 0.250 2
1 330 . 1 1 A 34 34 LEU CA C 34 53.385 54.620 -1.235 2
1 331 . 1 1 A 34 34 LEU HA H 34 4.481 4.891 -0.410 2
1 332 . 1 1 A 34 34 LEU CB C 34 44.305 44.067 0.238 2
1 345 . 1 1 A 34 34 LEU C C 34 173.373 175.553 -2.180 2
1 346 . 1 1 A 35 35 SER N N 35 116.987 122.687 -5.700 2
1 347 . 1 1 A 35 35 SER H H 35 7.561 8.787 -1.226 2
1 348 . 1 1 A 35 35 SER CA C 35 58.335 57.192 1.143 2
1 349 . 1 1 A 35 35 SER HA H 35 4.569 5.223 -0.654 2
1 350 . 1 1 A 35 35 SER CB C 35 64.536 65.519 -0.983 2
1 353 . 1 1 A 35 35 SER C C 35 174.513 173.633 0.880 2
1 354 . 1 1 A 36 36 PHE N N 36 117.028 119.091 -2.063 2
1 355 . 1 1 A 36 36 PHE H H 36 8.339 8.445 -0.106 2
1 356 . 1 1 A 36 36 PHE CA C 36 55.938 56.021 -0.083 2
1 357 . 1 1 A 36 36 PHE HA H 36 4.647 5.162 -0.515 2
1 358 . 1 1 A 36 36 PHE CB C 36 39.959 41.102 -1.143 2
1 371 . 1 1 A 36 36 PHE C C 36 174.055 172.317 1.738 2
1 372 . 1 1 A 37 37 ARG N N 37 120.296 120.180 0.116 2
1 373 . 1 1 A 37 37 ARG H H 37 9.859 8.626 1.233 2
1 374 . 1 1 A 37 37 ARG CA C 37 53.915 54.740 -0.825 2
1 375 . 1 1 A 37 37 ARG HA H 37 4.929 4.863 0.066 2
1 376 . 1 1 A 37 37 ARG CB C 37 32.735 32.332 0.403 2
1 385 . 1 1 A 37 37 ARG C C 37 175.793 175.920 -0.127 2
1 386 . 1 1 A 38 38 LYS N N 38 121.649 124.321 -2.672 2
1 387 . 1 1 A 38 38 LYS H H 38 7.938 8.555 -0.617 2
1 388 . 1 1 A 38 38 LYS CA C 38 58.880 58.297 0.583 2
1 389 . 1 1 A 38 38 LYS HA H 38 3.291 4.035 -0.744 2
1 390 . 1 1 A 38 38 LYS CB C 38 32.755 32.119 0.636 2
1 402 . 1 1 A 38 38 LYS C C 38 176.459 177.331 -0.872 2
1 403 . 1 1 A 39 39 GLY N N 39 114.431 114.955 -0.524 2
1 404 . 1 1 A 39 39 GLY H H 39 8.618 9.077 -0.459 2
1 405 . 1 1 A 39 39 GLY CA C 39 44.652 45.078 -0.426 2
1 406 . 1 1 A 39 39 GLY HA2 H 39 3.438 3.999 -0.561 2
1 407 . 1 1 A 39 39 GLY HA3 H 39 4.399 4.013 0.386 2
1 408 . 1 1 A 39 39 GLY C C 39 174.586 174.392 0.194 2
1 409 . 1 1 A 40 40 GLU N N 40 119.554 121.278 -1.724 2
1 410 . 1 1 A 40 40 GLU H H 40 7.931 8.037 -0.106 2
1 411 . 1 1 A 40 40 GLU CA C 40 59.197 57.301 1.896 2
1 412 . 1 1 A 40 40 GLU HA H 40 4.272 4.355 -0.083 2
1 413 . 1 1 A 40 40 GLU CB C 40 30.759 30.771 -0.012 2
1 419 . 1 1 A 40 40 GLU C C 40 175.278 175.458 -0.180 2
1 420 . 1 1 A 41 41 HIS N N 41 121.677 120.060 1.617 2
1 421 . 1 1 A 41 41 HIS H H 41 8.837 9.053 -0.216 2
1 422 . 1 1 A 41 41 HIS CA C 41 56.432 54.696 1.736 2
1 423 . 1 1 A 41 41 HIS HA H 41 4.817 5.051 -0.234 2
1 424 . 1 1 A 41 41 HIS CB C 41 30.260 30.730 -0.470 2
1 431 . 1 1 A 41 41 HIS C C 41 174.622 174.199 0.423 2
1 432 . 1 1 A 42 42 ILE N N 42 123.889 124.540 -0.651 2
1 433 . 1 1 A 42 42 ILE H H 42 8.753 8.716 0.037 2
1 434 . 1 1 A 42 42 ILE CA C 42 60.433 60.334 0.099 2
1 435 . 1 1 A 42 42 ILE HA H 42 4.079 4.407 -0.328 2
1 436 . 1 1 A 42 42 ILE CB C 42 42.258 38.791 3.467 2
1 449 . 1 1 A 42 42 ILE C C 42 174.377 174.916 -0.539 2
1 450 . 1 1 A 43 43 CYS N N 43 127.431 127.580 -0.149 2
1 451 . 1 1 A 43 43 CYS H H 43 8.877 8.728 0.149 2
1 452 . 1 1 A 43 43 CYS CA C 43 57.909 58.479 -0.570 2
1 453 . 1 1 A 43 43 CYS HA H 43 4.654 4.809 -0.155 2
1 454 . 1 1 A 43 43 CYS CB C 43 26.650 28.619 -1.969 2
1 457 . 1 1 A 43 43 CYS C C 43 174.875 173.804 1.071 2
1 458 . 1 1 A 44 44 LEU N N 44 126.732 128.353 -1.621 2
1 459 . 1 1 A 44 44 LEU H H 44 7.724 8.583 -0.859 2
1 460 . 1 1 A 44 44 LEU CA C 44 53.741 54.706 -0.965 2
1 461 . 1 1 A 44 44 LEU HA H 44 4.546 4.479 0.067 2
1 462 . 1 1 A 44 44 LEU CB C 44 43.286 40.884 2.402 2
1 475 . 1 1 A 44 44 LEU C C 44 175.004 176.259 -1.255 2
1 476 . 1 1 A 45 45 ILE N N 45 125.519 126.949 -1.430 2
1 477 . 1 1 A 45 45 ILE H H 45 9.058 8.691 0.366 2
1 478 . 1 1 A 45 45 ILE CA C 45 63.488 63.739 -0.251 2
1 479 . 1 1 A 45 45 ILE HA H 45 4.121 4.133 -0.012 2
1 480 . 1 1 A 45 45 ILE CB C 45 39.808 38.378 1.430 2
1 493 . 1 1 A 46 46 ARG N N 46 105.448 118.613 -13.165 2
1 494 . 1 1 A 46 46 ARG H H 46 7.377 7.604 -0.227 2
1 495 . 1 1 A 46 46 ARG CA C 46 54.848 54.743 0.105 2
1 496 . 1 1 A 46 46 ARG HA H 46 4.576 4.701 -0.125 2
1 497 . 1 1 A 46 46 ARG CB C 46 32.078 33.157 -1.079 2
1 508 . 1 1 A 46 46 ARG C C 46 174.353 174.618 -0.265 2
1 509 . 1 1 A 47 47 LYS N N 47 124.397 126.102 -1.705 2
1 510 . 1 1 A 47 47 LYS H H 47 9.254 8.648 0.606 2
1 511 . 1 1 A 47 47 LYS CA C 47 56.832 56.692 0.140 2
1 512 . 1 1 A 47 47 LYS HA H 47 4.353 4.428 -0.075 2
1 513 . 1 1 A 47 47 LYS CB C 47 32.868 32.705 0.164 2
1 525 . 1 1 A 47 47 LYS C C 47 176.540 176.645 -0.105 2
1 526 . 1 1 A 48 48 VAL N N 48 126.203 127.470 -1.267 2
1 527 . 1 1 A 48 48 VAL H H 48 8.289 8.648 -0.359 2
1 528 . 1 1 A 48 48 VAL CA C 48 63.966 64.937 -0.971 2
1 529 . 1 1 A 48 48 VAL HA H 48 3.784 3.806 -0.022 2
1 530 . 1 1 A 48 48 VAL CB C 48 33.030 32.372 0.658 2
1 540 . 1 1 A 48 48 VAL C C 48 175.547 175.714 -0.166 2
1 541 . 1 1 A 49 49 ASN N N 49 115.717 116.182 -0.465 2
1 542 . 1 1 A 49 49 ASN H H 49 8.167 7.560 0.607 2
1 543 . 1 1 A 49 49 ASN CA C 49 52.768 51.707 1.061 2
1 544 . 1 1 A 49 49 ASN HA H 49 4.428 5.014 -0.586 2
1 545 . 1 1 A 49 49 ASN CB C 49 37.683 42.105 -4.422 2
1 551 . 1 1 A 49 49 ASN C C 49 174.537 175.407 -0.870 2
1 552 . 1 1 A 50 50 GLU N N 50 114.361 120.594 -6.233 2
1 553 . 1 1 A 50 50 GLU H H 50 8.781 9.101 -0.320 2
1 554 . 1 1 A 50 50 GLU CA C 50 59.835 58.449 1.386 2
1 555 . 1 1 A 50 50 GLU HA H 50 3.947 4.019 -0.072 2
1 556 . 1 1 A 50 50 GLU CB C 50 29.534 28.857 0.677 2
1 562 . 1 1 A 50 50 GLU C C 50 176.796 176.404 0.392 2
1 563 . 1 1 A 51 51 ASN N N 51 112.673 116.181 -3.508 2
1 564 . 1 1 A 51 51 ASN H H 51 8.535 7.771 0.764 2
1 565 . 1 1 A 51 51 ASN CA C 51 53.328 54.181 -0.853 2
1 566 . 1 1 A 51 51 ASN HA H 51 4.968 4.782 0.186 2
1 567 . 1 1 A 51 51 ASN CB C 51 41.171 40.943 0.228 2
1 573 . 1 1 A 51 51 ASN C C 51 174.756 175.009 -0.253 2
1 574 . 1 1 A 52 52 TRP N N 52 121.399 118.070 3.329 2
1 575 . 1 1 A 52 52 TRP H H 52 7.726 7.769 -0.043 2
1 576 . 1 1 A 52 52 TRP CA C 52 57.485 56.583 0.902 2
1 577 . 1 1 A 52 52 TRP HA H 52 5.072 4.978 0.094 2
1 578 . 1 1 A 52 52 TRP CB C 52 31.703 31.303 0.400 2
1 593 . 1 1 A 52 52 TRP C C 52 174.756 175.460 -0.704 2
1 594 . 1 1 A 53 53 TYR N N 53 118.564 120.148 -1.584 2
1 595 . 1 1 A 53 53 TYR H H 53 8.443 8.844 -0.401 2
1 596 . 1 1 A 53 53 TYR CA C 53 57.305 55.976 1.329 2
1 597 . 1 1 A 53 53 TYR HA H 53 4.978 4.982 -0.004 2
1 598 . 1 1 A 53 53 TYR CB C 53 44.030 42.245 1.785 2
1 609 . 1 1 A 53 53 TYR C C 53 174.045 173.879 0.166 2
1 610 . 1 1 A 54 54 GLU N N 54 117.557 123.356 -5.799 2
1 611 . 1 1 A 54 54 GLU H H 54 8.906 8.657 0.249 2
1 612 . 1 1 A 54 54 GLU CA C 54 54.986 55.219 -0.233 2
1 613 . 1 1 A 54 54 GLU HA H 54 5.059 4.994 0.065 2
1 614 . 1 1 A 54 54 GLU CB C 54 32.458 31.894 0.564 2
1 620 . 1 1 A 54 54 GLU C C 54 176.438 175.636 0.802 2
1 621 . 1 1 A 55 55 GLY N N 55 114.051 113.068 0.983 2
1 622 . 1 1 A 55 55 GLY H H 55 9.556 8.659 0.897 2
1 623 . 1 1 A 55 55 GLY CA C 55 45.816 45.304 0.512 2
1 624 . 1 1 A 55 55 GLY HA2 H 55 5.166 4.468 0.698 2
1 625 . 1 1 A 55 55 GLY HA3 H 55 3.929 4.628 -0.699 2
1 626 . 1 1 A 55 55 GLY C C 55 169.584 172.873 -3.289 2
1 627 . 1 1 A 56 56 ARG N N 56 116.523 117.652 -1.129 2
1 628 . 1 1 A 56 56 ARG H H 56 9.093 8.685 0.407 2
1 629 . 1 1 A 56 56 ARG CA C 56 53.977 54.336 -0.359 2
1 630 . 1 1 A 56 56 ARG HA H 56 5.528 5.216 0.312 2
1 631 . 1 1 A 56 56 ARG CB C 56 34.963 34.149 0.814 2
1 640 . 1 1 A 56 56 ARG C C 56 174.325 174.458 -0.133 2
1 641 . 1 1 A 57 57 ILE N N 57 123.690 123.648 0.042 2
1 642 . 1 1 A 57 57 ILE H H 57 8.230 8.898 -0.667 2
1 643 . 1 1 A 57 57 ILE CA C 57 59.706 60.801 -1.095 2
1 644 . 1 1 A 57 57 ILE HA H 57 4.585 4.496 0.089 2
1 645 . 1 1 A 57 57 ILE CB C 57 35.623 37.819 -2.196 2
1 658 . 1 1 A 57 57 ILE C C 57 177.239 175.672 1.567 2
1 659 . 1 1 A 58 58 THR N N 58 112.797 122.809 -10.012 2
1 660 . 1 1 A 58 58 THR H H 58 8.805 8.501 0.304 2
1 661 . 1 1 A 58 58 THR CA C 58 65.598 63.877 1.721 2
1 662 . 1 1 A 58 58 THR HA H 58 3.857 4.085 -0.228 2
1 663 . 1 1 A 58 58 THR CB C 58 68.553 68.657 -0.104 2
1 669 . 1 1 A 59 59 GLY CA C 59 45.463 45.474 -0.011 2
1 670 . 1 1 A 59 59 GLY HA2 H 59 3.834 3.991 -0.157 2
1 671 . 1 1 A 59 59 GLY HA3 H 59 4.266 3.994 0.272 2
1 672 . 1 1 A 59 59 GLY C C 59 174.543 174.379 0.164 2
1 673 . 1 1 A 60 60 THR N N 60 108.632 111.922 -3.290 2
1 674 . 1 1 A 60 60 THR H H 60 7.779 7.891 -0.112 2
1 675 . 1 1 A 60 60 THR CA C 60 61.017 61.497 -0.480 2
1 676 . 1 1 A 60 60 THR HA H 60 4.892 4.571 0.321 2
1 677 . 1 1 A 60 60 THR CB C 60 72.426 71.100 1.326 2
1 683 . 1 1 A 60 60 THR C C 60 175.144 175.377 -0.233 2
1 684 . 1 1 A 61 61 GLY CA C 61 45.320 45.794 -0.474 2
1 685 . 1 1 A 61 61 GLY HA2 H 61 3.930 3.968 -0.038 2
1 686 . 1 1 A 61 61 GLY HA3 H 61 4.183 3.970 0.213 2
1 687 . 1 1 A 61 61 GLY C C 61 174.641 174.385 0.256 2
1 688 . 1 1 A 62 62 ARG N N 62 121.575 120.190 1.385 2
1 689 . 1 1 A 62 62 ARG H H 62 8.229 7.715 0.514 2
1 690 . 1 1 A 62 62 ARG CA C 62 56.440 56.316 0.124 2
1 691 . 1 1 A 62 62 ARG HA H 62 4.380 4.501 -0.121 2
1 692 . 1 1 A 62 62 ARG CB C 62 30.667 31.628 -0.961 2
1 701 . 1 1 A 62 62 ARG C C 62 174.530 175.570 -1.040 2
1 702 . 1 1 A 63 63 GLN N N 63 124.206 122.854 1.352 2
1 703 . 1 1 A 63 63 GLN H H 63 8.473 8.652 -0.179 2
1 704 . 1 1 A 63 63 GLN CA C 63 54.768 55.196 -0.428 2
1 705 . 1 1 A 63 63 GLN HA H 63 5.449 5.078 0.371 2
1 706 . 1 1 A 63 63 GLN CB C 63 32.243 32.157 0.086 2
1 715 . 1 1 A 63 63 GLN C C 63 174.555 174.810 -0.255 2
1 716 . 1 1 A 64 64 GLY N N 64 111.132 110.894 0.238 2
1 717 . 1 1 A 64 64 GLY H H 64 8.962 8.345 0.617 2
1 718 . 1 1 A 64 64 GLY CA C 64 45.780 46.011 -0.231 2
1 719 . 1 1 A 64 64 GLY HA2 H 64 4.498 4.292 0.206 2
1 720 . 1 1 A 64 64 GLY HA3 H 64 4.351 4.335 0.016 2
1 721 . 1 1 A 64 64 GLY C C 64 172.117 172.313 -0.196 2
1 722 . 1 1 A 65 65 ILE N N 65 114.051 117.737 -3.686 2
1 723 . 1 1 A 65 65 ILE H H 65 8.824 8.827 -0.003 2
1 724 . 1 1 A 65 65 ILE CA C 65 59.949 59.047 0.902 2
1 725 . 1 1 A 65 65 ILE HA H 65 6.195 5.181 1.014 2
1 726 . 1 1 A 65 65 ILE CB C 65 41.669 40.763 0.906 2
1 739 . 1 1 A 65 65 ILE C C 65 176.874 175.210 1.664 2
1 740 . 1 1 A 66 66 PHE N N 66 116.902 118.530 -1.628 2
1 741 . 1 1 A 66 66 PHE H H 66 8.770 8.477 0.293 2
1 742 . 1 1 A 66 66 PHE CA C 66 56.114 55.378 0.736 2
1 743 . 1 1 A 66 66 PHE HA H 66 4.952 4.979 -0.027 2
1 744 . 1 1 A 66 66 PHE CB C 66 38.504 39.604 -1.100 2
1 757 . 1 1 A 66 66 PHE C C 66 170.992 171.672 -0.680 2
1 758 . 1 1 A 67 67 PRO CA C 67 61.161 62.577 -1.416 2
1 759 . 1 1 A 67 67 PRO HA H 67 3.678 4.190 -0.512 2
1 760 . 1 1 A 67 67 PRO CB C 67 30.788 31.663 -0.875 2
1 769 . 1 1 A 67 67 PRO C C 67 177.819 177.588 0.231 2
1 770 . 1 1 A 68 68 ALA N N 68 126.195 128.219 -2.024 2
1 771 . 1 1 A 68 68 ALA H H 68 8.458 8.608 -0.150 2
1 772 . 1 1 A 68 68 ALA CA C 68 54.676 55.225 -0.549 2
1 773 . 1 1 A 68 68 ALA HA H 68 4.008 4.202 -0.194 2
1 774 . 1 1 A 68 68 ALA CB C 68 18.986 18.573 0.413 2
1 778 . 1 1 A 68 68 ALA C C 68 178.933 179.520 -0.587 2
1 779 . 1 1 A 69 69 SER N N 69 110.156 113.269 -3.113 2
1 780 . 1 1 A 69 69 SER H H 69 8.370 8.213 0.157 2
1 781 . 1 1 A 69 69 SER CA C 69 60.250 61.014 -0.764 2
1 782 . 1 1 A 69 69 SER HA H 69 4.265 4.231 0.034 2
1 783 . 1 1 A 69 69 SER CB C 69 62.718 63.112 -0.394 2
1 786 . 1 1 A 69 69 SER C C 69 175.748 175.855 -0.107 2
1 787 . 1 1 A 70 70 TYR N N 70 119.475 119.049 0.426 2
1 788 . 1 1 A 70 70 TYR H H 70 7.728 7.803 -0.075 2
1 789 . 1 1 A 70 70 TYR CA C 70 60.061 59.895 0.166 2
1 790 . 1 1 A 70 70 TYR HA H 70 4.620 4.562 0.058 2
1 791 . 1 1 A 70 70 TYR CB C 70 39.039 39.603 -0.564 2
1 802 . 1 1 A 70 70 TYR C C 70 176.140 176.240 -0.100 2
1 803 . 1 1 A 71 71 VAL N N 71 110.320 115.804 -5.484 2
1 804 . 1 1 A 71 71 VAL H H 71 8.064 7.689 0.375 2
1 805 . 1 1 A 71 71 VAL CA C 71 58.737 59.778 -1.041 2
1 806 . 1 1 A 71 71 VAL HA H 71 5.073 4.625 0.448 2
1 807 . 1 1 A 71 71 VAL CB C 71 35.550 34.251 1.299 2
1 817 . 1 1 A 71 71 VAL C C 71 173.044 173.937 -0.893 2
1 818 . 1 1 A 72 72 GLN N N 72 119.621 121.617 -1.996 2
1 819 . 1 1 A 72 72 GLN H H 72 8.448 8.923 -0.475 2
1 820 . 1 1 A 72 72 GLN CA C 72 54.351 54.227 0.124 2
1 821 . 1 1 A 72 72 GLN HA H 72 4.724 4.927 -0.203 2
1 822 . 1 1 A 72 72 GLN CB C 72 30.373 31.936 -1.563 2
1 831 . 1 1 A 72 72 GLN C C 72 176.050 174.337 1.713 2
1 832 . 1 1 A 73 73 VAL N N 73 130.439 127.560 2.879 2
1 833 . 1 1 A 73 73 VAL H H 73 9.369 8.891 0.478 2
1 834 . 1 1 A 73 73 VAL CA C 73 63.957 62.189 1.768 2
1 835 . 1 1 A 73 73 VAL HA H 73 3.856 4.149 -0.293 2
1 836 . 1 1 A 73 73 VAL CB C 73 32.616 31.902 0.714 2
1 846 . 1 1 A 73 73 VAL C C 73 176.043 175.663 0.380 2
1 847 . 1 1 A 74 74 SER N N 74 123.766 122.548 1.218 2
1 848 . 1 1 A 74 74 SER H H 74 8.708 8.717 -0.009 2
1 849 . 1 1 A 74 74 SER CA C 74 58.930 59.556 -0.626 2
1 850 . 1 1 A 74 74 SER HA H 74 4.627 4.569 0.058 2
1 851 . 1 1 A 74 74 SER CB C 74 63.548 64.784 -1.236 2
1 854 . 1 1 A 74 74 SER C C 74 174.821 174.218 0.603 2
1 855 . 1 1 A 75 75 ARG N N 75 122.335 120.017 2.318 2
1 856 . 1 1 A 75 75 ARG H H 75 7.690 7.393 0.297 2
1 857 . 1 1 A 75 75 ARG CA C 75 56.185 55.021 1.164 2
1 858 . 1 1 A 75 75 ARG HA H 75 4.526 4.744 -0.218 2
1 859 . 1 1 A 75 75 ARG CB C 75 33.734 32.607 1.127 2
1 868 . 1 1 A 75 75 ARG C C 75 174.824 174.689 0.135 2
1 869 . 1 1 A 76 76 GLU N N 76 126.797 126.575 0.222 2
1 870 . 1 1 A 76 76 GLU H H 76 8.916 8.524 0.392 2
1 871 . 1 1 A 76 76 GLU CA C 76 54.874 55.116 -0.242 2
1 872 . 1 1 A 76 76 GLU HA H 76 4.561 4.460 0.101 2
1 873 . 1 1 A 76 76 GLU CB C 76 28.925 29.157 -0.232 2
1 879 . 1 1 A 76 76 GLU C C 76 175.557 174.844 0.713 2
1 880 . 1 1 A 77 77 PRO CA C 77 62.726 62.625 0.101 2
1 881 . 1 1 A 77 77 PRO HA H 77 4.584 4.656 -0.072 2
1 882 . 1 1 A 77 77 PRO CB C 77 32.153 32.749 -0.596 2
1 891 . 1 1 A 78 78 ARG N N 78 120.959 121.879 -0.920 2
1 892 . 1 1 A 78 78 ARG H H 78 8.814 8.686 0.128 2
1 893 . 1 1 A 78 78 ARG CA C 78 55.491 56.068 -0.577 2
1 894 . 1 1 A 78 78 ARG HA H 78 4.743 4.577 0.166 2
1 895 . 1 1 A 78 78 ARG CB C 78 33.443 32.262 1.181 2
1 904 . 1 1 A 79 79 LEU N N 79 125.756 125.129 0.628 2
1 905 . 1 1 A 79 79 LEU H H 79 8.789 8.587 0.202 2
1 906 . 1 1 A 79 79 LEU CA C 79 54.346 55.275 -0.929 2
1 907 . 1 1 A 79 79 LEU HA H 79 5.007 4.398 0.609 2
1 908 . 1 1 A 79 79 LEU CB C 79 44.609 42.137 2.472 2
1 917 . 1 1 A 80 80 ARG N N 80 121.792 117.680 4.112 2
1 918 . 1 1 A 80 80 ARG H H 80 8.908 8.013 0.895 2
1 919 . 1 1 A 80 80 ARG CA C 80 54.966 56.447 -1.481 2
1 920 . 1 1 A 80 80 ARG HA H 80 4.611 4.265 0.346 2
1 921 . 1 1 A 80 80 ARG CB C 80 32.686 29.800 2.886 2
1 924 . 1 1 A 81 81 LEU N N 81 126.556 119.954 6.602 2
1 925 . 1 1 A 81 81 LEU H H 81 8.702 8.179 0.523 2
1 926 . 1 1 A 81 81 LEU CA C 81 55.199 55.543 -0.344 2
1 927 . 1 1 A 81 81 LEU HA H 81 4.472 4.330 0.142 2
1 928 . 1 1 A 81 81 LEU CB C 81 42.368 41.470 0.898 2
1 941 . 1 1 A 82 82 CYS N N 82 121.583 119.439 2.144 2
1 942 . 1 1 A 82 82 CYS H H 82 8.466 7.855 0.611 2
1 943 . 1 1 A 82 82 CYS CA C 82 58.583 58.644 -0.061 2
1 944 . 1 1 A 82 82 CYS HA H 82 4.475 4.660 -0.185 2
1 945 . 1 1 A 82 82 CYS CB C 82 28.438 29.372 -0.934 2
1 948 . 1 1 A 83 83 ASP N N 83 122.639 123.374 -0.735 2
1 949 . 1 1 A 83 83 ASP H H 83 8.400 8.535 -0.135 2
1 950 . 1 1 A 83 83 ASP CA C 83 54.210 54.077 0.133 2
1 951 . 1 1 A 83 83 ASP HA H 83 4.654 4.871 -0.217 2
1 952 . 1 1 A 83 83 ASP CB C 83 41.291 42.073 -0.782 2
1 955 . 1 1 A 83 83 ASP C C 83 175.900 175.296 0.604 2
1 956 . 1 1 A 84 84 ASP N N 84 121.113 123.207 -2.094 2
1 957 . 1 1 A 84 84 ASP H H 84 8.310 8.479 -0.169 2
1 958 . 1 1 A 84 84 ASP CA C 84 54.330 54.596 -0.266 2
1 959 . 1 1 A 84 84 ASP HA H 84 4.650 4.772 -0.122 2
1 960 . 1 1 A 84 84 ASP CB C 84 41.283 41.699 -0.416 2
1 963 . 1 1 A 84 84 ASP C C 84 176.407 175.726 0.681 2
1 964 . 1 1 A 85 85 SER N N 85 116.212 117.359 -1.147 2
1 965 . 1 1 A 85 85 SER H H 85 8.332 8.516 -0.184 2
1 966 . 1 1 A 85 85 SER CA C 85 58.819 58.459 0.360 2
1 967 . 1 1 A 85 85 SER HA H 85 4.438 4.644 -0.206 2
1 968 . 1 1 A 85 85 SER CB C 85 63.961 64.190 -0.229 2
1 971 . 1 1 A 85 85 SER C C 85 174.867 174.007 0.859 2
1 972 . 1 1 A 86 86 GLY N N 86 110.652 110.170 0.482 2
1 973 . 1 1 A 86 86 GLY H H 86 8.251 8.366 -0.115 2
1 974 . 1 1 A 86 86 GLY CA C 86 44.758 45.356 -0.599 2
1 975 . 1 1 A 86 86 GLY HA2 H 86 4.109 4.105 0.004 2
1 976 . 1 1 A 86 86 GLY HA3 H 86 4.109 4.106 0.003 2
1 977 . 1 1 A 86 86 GLY C C 86 171.914 173.427 -1.513 2
1 978 . 1 1 A 87 87 PRO CA C 87 63.192 63.147 0.045 2
1 979 . 1 1 A 87 87 PRO HA H 87 4.484 4.580 -0.096 2
1 980 . 1 1 A 87 87 PRO CB C 87 32.243 31.947 0.296 2
1 989 . 1 1 A 87 87 PRO C C 87 177.470 176.206 1.264 2
1 990 . 1 1 A 88 88 SER N N 88 116.433 116.190 0.243 2
1 991 . 1 1 A 88 88 SER H H 88 8.518 8.376 0.142 2
1 992 . 1 1 A 88 88 SER CA C 88 58.330 58.010 0.320 2
1 993 . 1 1 A 88 88 SER HA H 88 4.571 4.694 -0.123 2
1 994 . 1 1 A 88 88 SER CB C 88 63.896 64.654 -0.758 2
1 997 . 1 1 A 88 88 SER C C 88 174.747 173.744 1.003 2
1 998 . 1 1 A 89 89 SER N N 89 117.882 118.837 -0.955 2
1 999 . 1 1 A 89 89 SER H H 89 8.335 8.576 -0.241 2
1 1000 . 1 1 A 89 89 SER CA C 89 58.497 58.716 -0.219 2
1 1001 . 1 1 A 89 89 SER CB C 89 64.209 63.888 0.321 2
1 1004 . 1 1 A 89 89 SER C C 89 174.100 174.478 -0.378 2
stop_
save_