data_10278_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10278
_Entry.PDB_ID 2D9V
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.445 4.906 -0.461 1
1 4 . 1 1 1 A 6 6 SER C C 6 174.707 173.623 1.084 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.482 57.260 1.222 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.848 65.220 -1.372 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.494 8.507 -0.013 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 4.105 4.265 -0.160 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 4.105 4.280 -0.175 1
1 10 . 1 1 1 A 7 7 GLY C C 7 172.961 172.686 0.275 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.864 44.743 1.121 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.325 112.080 -1.755 1
1 13 . 1 1 1 A 8 8 LEU H H 8 8.295 8.641 -0.346 1
1 14 . 1 1 1 A 8 8 LEU HA H 8 4.268 5.342 -1.074 1
1 24 . 1 1 1 A 8 8 LEU C C 8 176.773 176.043 0.730 1
1 25 . 1 1 1 A 8 8 LEU CA C 8 55.587 53.525 2.062 1
1 26 . 1 1 1 A 8 8 LEU CB C 8 43.367 44.971 -1.604 1
1 30 . 1 1 1 A 8 8 LEU N N 8 123.800 123.324 0.476 1
1 31 . 1 1 1 A 9 9 VAL H H 9 9.290 8.911 0.379 1
1 32 . 1 1 1 A 9 9 VAL HA H 9 3.826 4.002 -0.176 1
1 40 . 1 1 1 A 9 9 VAL C C 9 176.540 175.769 0.771 1
1 41 . 1 1 1 A 9 9 VAL CA C 9 64.888 64.039 0.849 1
1 42 . 1 1 1 A 9 9 VAL CB C 9 32.264 32.437 -0.173 1
1 45 . 1 1 1 A 9 9 VAL N N 9 129.415 125.937 3.478 1
1 46 . 1 1 1 A 10 10 ARG H H 10 7.135 7.575 -0.440 1
1 47 . 1 1 1 A 10 10 ARG HA H 10 4.126 4.654 -0.528 1
1 55 . 1 1 1 A 10 10 ARG C C 10 171.942 174.232 -2.290 1
1 56 . 1 1 1 A 10 10 ARG CA C 10 55.800 54.787 1.013 1
1 57 . 1 1 1 A 10 10 ARG CB C 10 32.223 33.501 -1.278 1
1 60 . 1 1 1 A 10 10 ARG N N 10 117.246 118.125 -0.879 1
1 62 . 1 1 1 A 11 11 GLY H H 11 8.390 8.423 -0.033 1
1 63 . 1 1 1 A 11 11 GLY HA2 H 11 3.204 3.995 -0.791 1
1 64 . 1 1 1 A 11 11 GLY HA3 H 11 5.336 4.302 1.034 1
1 65 . 1 1 1 A 11 11 GLY C C 11 172.895 172.544 0.351 1
1 66 . 1 1 1 A 11 11 GLY CA C 11 43.481 44.844 -1.363 1
1 67 . 1 1 1 A 11 11 GLY N N 11 113.527 109.647 3.880 1
1 68 . 1 1 1 A 12 12 GLY H H 12 7.935 8.414 -0.479 1
1 69 . 1 1 1 A 12 12 GLY C C 12 171.502 172.242 -0.740 1
1 70 . 1 1 1 A 12 12 GLY CA C 12 46.093 44.603 1.490 1
1 71 . 1 1 1 A 13 13 TRP H H 13 8.904 8.788 0.116 1
1 72 . 1 1 1 A 13 13 TRP HA H 13 5.205 5.424 -0.219 1
1 81 . 1 1 1 A 13 13 TRP C C 13 177.926 176.166 1.760 1
1 82 . 1 1 1 A 13 13 TRP CA C 13 57.846 56.503 1.343 1
1 83 . 1 1 1 A 13 13 TRP CB C 13 30.290 31.046 -0.756 1
1 89 . 1 1 1 A 13 13 TRP N N 13 121.758 120.416 1.342 1
1 91 . 1 1 1 A 14 14 LEU H H 14 9.295 9.216 0.079 1
1 92 . 1 1 1 A 14 14 LEU HA H 14 4.683 4.916 -0.233 1
1 102 . 1 1 1 A 14 14 LEU C C 14 175.828 175.563 0.265 1
1 103 . 1 1 1 A 14 14 LEU CA C 14 54.670 53.395 1.275 1
1 104 . 1 1 1 A 14 14 LEU CB C 14 47.562 45.630 1.932 1
1 108 . 1 1 1 A 14 14 LEU N N 14 123.447 124.493 -1.046 1
1 109 . 1 1 1 A 15 15 TRP H H 15 8.655 8.704 -0.049 1
1 110 . 1 1 1 A 15 15 TRP HA H 15 5.315 5.605 -0.290 1
1 119 . 1 1 1 A 15 15 TRP C C 15 175.899 175.666 0.233 1
1 120 . 1 1 1 A 15 15 TRP CA C 15 57.159 56.982 0.177 1
1 121 . 1 1 1 A 15 15 TRP CB C 15 30.759 30.781 -0.022 1
1 127 . 1 1 1 A 15 15 TRP N N 15 119.571 123.533 -3.962 1
1 129 . 1 1 1 A 16 16 ARG H H 16 10.145 9.573 0.572 1
1 130 . 1 1 1 A 16 16 ARG HA H 16 5.495 5.254 0.241 1
1 138 . 1 1 1 A 16 16 ARG C C 16 174.930 175.210 -0.280 1
1 139 . 1 1 1 A 16 16 ARG CA C 16 54.334 54.029 0.305 1
1 140 . 1 1 1 A 16 16 ARG CB C 16 34.808 33.453 1.355 1
1 143 . 1 1 1 A 16 16 ARG N N 16 121.997 125.994 -3.997 1
1 145 . 1 1 1 A 17 17 GLN H H 17 8.233 8.056 0.177 1
1 146 . 1 1 1 A 17 17 GLN HA H 17 3.797 4.263 -0.466 1
1 153 . 1 1 1 A 17 17 GLN C C 17 175.654 175.639 0.015 1
1 154 . 1 1 1 A 17 17 GLN CA C 17 55.446 54.592 0.854 1
1 155 . 1 1 1 A 17 17 GLN CB C 17 29.056 29.394 -0.338 1
1 157 . 1 1 1 A 17 17 GLN N N 17 128.414 127.359 1.055 1
1 159 . 1 1 1 A 18 18 SER H H 18 8.635 8.830 -0.195 1
1 160 . 1 1 1 A 18 18 SER HA H 18 4.575 4.647 -0.072 1
1 163 . 1 1 1 A 18 18 SER C C 18 175.585 173.831 1.754 1
1 164 . 1 1 1 A 18 18 SER CA C 18 57.246 57.177 0.069 1
1 165 . 1 1 1 A 18 18 SER CB C 18 64.012 64.405 -0.393 1
1 166 . 1 1 1 A 18 18 SER N N 18 122.600 121.922 0.678 1
1 167 . 1 1 1 A 20 20 ILE H H 20 7.976 7.928 0.048 1
1 168 . 1 1 1 A 20 20 ILE HA H 20 4.036 3.749 0.287 1
1 178 . 1 1 1 A 20 20 ILE C C 20 176.929 177.252 -0.323 1
1 179 . 1 1 1 A 20 20 ILE CA C 20 62.929 64.420 -1.491 1
1 180 . 1 1 1 A 20 20 ILE CB C 20 37.912 37.871 0.041 1
1 184 . 1 1 1 A 20 20 ILE N N 20 120.700 120.675 0.025 1
1 185 . 1 1 1 A 21 21 LEU H H 21 8.089 7.681 0.408 1
1 186 . 1 1 1 A 21 21 LEU HA H 21 4.159 4.295 -0.136 1
1 196 . 1 1 1 A 21 21 LEU C C 21 176.455 176.145 0.310 1
1 197 . 1 1 1 A 21 21 LEU CA C 21 55.287 56.439 -1.152 1
1 198 . 1 1 1 A 21 21 LEU CB C 21 42.051 43.016 -0.965 1
1 202 . 1 1 1 A 21 21 LEU N N 21 119.540 122.306 -2.766 1
1 203 . 1 1 1 A 22 22 ARG H H 22 7.687 7.768 -0.081 1
1 204 . 1 1 1 A 22 22 ARG HA H 22 3.806 4.109 -0.303 1
1 211 . 1 1 1 A 22 22 ARG C C 22 175.087 174.540 0.547 1
1 212 . 1 1 1 A 22 22 ARG CA C 22 56.788 57.057 -0.269 1
1 213 . 1 1 1 A 22 22 ARG CB C 22 27.130 27.576 -0.446 1
1 216 . 1 1 1 A 22 22 ARG N N 22 114.383 117.057 -2.674 1
1 217 . 1 1 1 A 23 23 ARG H H 23 7.392 7.623 -0.231 1
1 218 . 1 1 1 A 23 23 ARG HA H 23 4.603 4.635 -0.032 1
1 225 . 1 1 1 A 23 23 ARG C C 23 176.112 174.165 1.947 1
1 226 . 1 1 1 A 23 23 ARG CA C 23 54.846 55.180 -0.334 1
1 227 . 1 1 1 A 23 23 ARG CB C 23 32.387 33.771 -1.384 1
1 230 . 1 1 1 A 23 23 ARG N N 23 115.846 117.812 -1.966 1
1 231 . 1 1 1 A 24 24 TRP H H 24 9.013 8.753 0.260 1
1 232 . 1 1 1 A 24 24 TRP HA H 24 5.154 5.323 -0.169 1
1 241 . 1 1 1 A 24 24 TRP C C 24 176.347 176.703 -0.356 1
1 242 . 1 1 1 A 24 24 TRP CA C 24 57.546 57.919 -0.373 1
1 243 . 1 1 1 A 24 24 TRP CB C 24 31.112 30.752 0.360 1
1 249 . 1 1 1 A 24 24 TRP N N 24 123.861 123.958 -0.097 1
1 251 . 1 1 1 A 25 25 LYS H H 25 9.553 9.647 -0.094 1
1 252 . 1 1 1 A 25 25 LYS HA H 25 4.992 5.492 -0.500 1
1 261 . 1 1 1 A 25 25 LYS C C 25 173.887 175.269 -1.382 1
1 262 . 1 1 1 A 25 25 LYS CA C 25 55.023 54.938 0.085 1
1 263 . 1 1 1 A 25 25 LYS CB C 25 35.965 36.274 -0.309 1
1 267 . 1 1 1 A 25 25 LYS N N 25 123.241 119.470 3.771 1
1 268 . 1 1 1 A 26 26 ARG H H 26 8.705 8.503 0.202 1
1 269 . 1 1 1 A 26 26 ARG HA H 26 4.494 4.232 0.262 1
1 276 . 1 1 1 A 26 26 ARG C C 26 175.755 176.372 -0.617 1
1 277 . 1 1 1 A 26 26 ARG CA C 26 56.046 56.031 0.015 1
1 278 . 1 1 1 A 26 26 ARG CB C 26 30.783 30.495 0.288 1
1 281 . 1 1 1 A 26 26 ARG N N 26 124.843 121.194 3.649 1
1 282 . 1 1 1 A 27 27 ASN H H 27 9.100 8.835 0.265 1
1 283 . 1 1 1 A 27 27 ASN HA H 27 5.235 5.282 -0.047 1
1 288 . 1 1 1 A 27 27 ASN CA C 27 54.041 52.034 2.007 1
1 289 . 1 1 1 A 27 27 ASN CB C 27 46.737 43.228 3.509 1
1 290 . 1 1 1 A 27 27 ASN N N 27 123.044 121.780 1.264 1
1 292 . 1 1 1 A 28 28 TRP H H 28 7.835 8.375 -0.540 1
1 293 . 1 1 1 A 28 28 TRP HA H 28 4.105 4.951 -0.846 1
1 299 . 1 1 1 A 28 28 TRP N N 28 122.540 125.670 -3.130 1
1 300 . 1 1 1 A 29 29 PHE H H 29 8.755 8.639 0.116 1
1 301 . 1 1 1 A 29 29 PHE HA H 29 5.001 4.786 0.215 1
1 309 . 1 1 1 A 29 29 PHE CA C 29 56.692 56.440 0.252 1
1 310 . 1 1 1 A 29 29 PHE CB C 29 42.284 40.148 2.136 1
1 316 . 1 1 1 A 29 29 PHE N N 29 129.716 126.414 3.302 1
1 317 . 1 1 1 A 30 30 ALA H H 30 8.695 8.211 0.484 1
1 321 . 1 1 1 A 30 30 ALA C C 30 173.958 174.485 -0.527 1
1 322 . 1 1 1 A 30 30 ALA CA C 30 50.611 49.885 0.726 1
1 323 . 1 1 1 A 30 30 ALA CB C 30 22.570 21.270 1.300 1
1 324 . 1 1 1 A 31 31 LEU H H 31 8.815 8.128 0.687 1
1 325 . 1 1 1 A 31 31 LEU HA H 31 5.003 4.641 0.362 1
1 335 . 1 1 1 A 31 31 LEU C C 31 174.414 174.301 0.113 1
1 336 . 1 1 1 A 31 31 LEU CA C 31 53.240 53.605 -0.365 1
1 337 . 1 1 1 A 31 31 LEU CB C 31 44.783 44.696 0.087 1
1 341 . 1 1 1 A 31 31 LEU N N 31 124.610 124.771 -0.161 1
1 342 . 1 1 1 A 32 32 TRP H H 32 9.045 8.855 0.190 1
1 343 . 1 1 1 A 32 32 TRP HA H 32 5.499 5.225 0.274 1
1 352 . 1 1 1 A 32 32 TRP C C 32 178.871 177.192 1.679 1
1 353 . 1 1 1 A 32 32 TRP CA C 32 55.552 56.186 -0.634 1
1 354 . 1 1 1 A 32 32 TRP CB C 32 32.346 31.849 0.497 1
1 360 . 1 1 1 A 32 32 TRP N N 32 128.500 127.032 1.468 1
1 362 . 1 1 1 A 33 33 LEU H H 33 9.246 9.113 0.133 1
1 363 . 1 1 1 A 33 33 LEU HA H 33 4.075 4.030 0.045 1
1 373 . 1 1 1 A 33 33 LEU C C 33 176.859 178.708 -1.849 1
1 374 . 1 1 1 A 33 33 LEU CA C 33 57.035 57.986 -0.951 1
1 375 . 1 1 1 A 33 33 LEU CB C 33 42.651 41.364 1.287 1
1 379 . 1 1 1 A 33 33 LEU N N 33 123.838 126.062 -2.224 1
1 380 . 1 1 1 A 34 34 ASP H H 34 7.536 8.027 -0.491 1
1 381 . 1 1 1 A 34 34 ASP HA H 34 4.395 4.623 -0.228 1
1 384 . 1 1 1 A 34 34 ASP C C 34 177.113 176.281 0.832 1
1 385 . 1 1 1 A 34 34 ASP CA C 34 53.805 54.496 -0.691 1
1 386 . 1 1 1 A 34 34 ASP CB C 34 39.625 41.149 -1.524 1
1 387 . 1 1 1 A 34 34 ASP N N 34 115.948 117.069 -1.121 1
1 388 . 1 1 1 A 35 35 GLY H H 35 8.264 8.764 -0.500 1
1 389 . 1 1 1 A 35 35 GLY HA2 H 35 4.205 4.058 0.147 1
1 390 . 1 1 1 A 35 35 GLY HA3 H 35 3.895 4.060 -0.165 1
1 391 . 1 1 1 A 35 35 GLY C C 35 173.898 173.961 -0.063 1
1 392 . 1 1 1 A 35 35 GLY CA C 35 46.216 46.267 -0.051 1
1 393 . 1 1 1 A 35 35 GLY N N 35 106.508 107.791 -1.283 1
1 394 . 1 1 1 A 36 36 THR H H 36 8.035 7.736 0.299 1
1 395 . 1 1 1 A 36 36 THR HA H 36 5.123 5.101 0.022 1
1 400 . 1 1 1 A 36 36 THR C C 36 170.669 173.150 -2.481 1
1 401 . 1 1 1 A 36 36 THR CA C 36 60.588 59.393 1.195 1
1 402 . 1 1 1 A 36 36 THR CB C 36 72.314 72.461 -0.147 1
1 404 . 1 1 1 A 36 36 THR N N 36 112.047 110.387 1.660 1
1 405 . 1 1 1 A 37 37 LEU H H 37 9.344 9.298 0.046 1
1 406 . 1 1 1 A 37 37 LEU HA H 37 5.616 4.931 0.685 1
1 416 . 1 1 1 A 37 37 LEU C C 37 175.787 174.876 0.911 1
1 417 . 1 1 1 A 37 37 LEU CA C 37 52.799 53.861 -1.062 1
1 418 . 1 1 1 A 37 37 LEU CB C 37 46.698 44.840 1.858 1
1 422 . 1 1 1 A 37 37 LEU N N 37 122.915 123.549 -0.634 1
1 423 . 1 1 1 A 38 38 GLY H H 38 9.685 8.699 0.986 1
1 424 . 1 1 1 A 38 38 GLY HA2 H 38 5.074 3.968 1.106 1
1 425 . 1 1 1 A 38 38 GLY HA3 H 38 3.825 4.246 -0.421 1
1 426 . 1 1 1 A 38 38 GLY C C 38 172.258 172.210 0.048 1
1 427 . 1 1 1 A 38 38 GLY CA C 38 43.676 44.015 -0.339 1
1 428 . 1 1 1 A 38 38 GLY N N 38 113.092 113.762 -0.670 1
1 429 . 1 1 1 A 39 39 TYR H H 39 7.362 7.903 -0.541 1
1 430 . 1 1 1 A 39 39 TYR HA H 39 5.251 5.733 -0.482 1
1 437 . 1 1 1 A 39 39 TYR C C 39 175.367 173.996 1.371 1
1 438 . 1 1 1 A 39 39 TYR CA C 39 54.282 55.140 -0.858 1
1 439 . 1 1 1 A 39 39 TYR CB C 39 37.774 40.662 -2.888 1
1 444 . 1 1 1 A 39 39 TYR N N 39 113.951 118.934 -4.983 1
1 445 . 1 1 1 A 40 40 TYR H H 40 9.315 8.962 0.353 1
1 446 . 1 1 1 A 40 40 TYR HA H 40 5.305 4.926 0.379 1
1 453 . 1 1 1 A 40 40 TYR C C 40 177.694 176.904 0.790 1
1 454 . 1 1 1 A 40 40 TYR CA C 40 57.185 57.284 -0.099 1
1 455 . 1 1 1 A 40 40 TYR CB C 40 43.779 41.642 2.137 1
1 460 . 1 1 1 A 40 40 TYR N N 40 117.930 120.754 -2.824 1
1 461 . 1 1 1 A 41 41 HIS H H 41 8.658 8.843 -0.185 1
1 462 . 1 1 1 A 41 41 HIS HA H 41 4.654 4.291 0.363 1
1 467 . 1 1 1 A 41 41 HIS C C 41 174.858 175.696 -0.838 1
1 468 . 1 1 1 A 41 41 HIS CA C 41 59.159 59.604 -0.445 1
1 469 . 1 1 1 A 41 41 HIS CB C 41 31.094 29.919 1.175 1
1 472 . 1 1 1 A 41 41 HIS N N 41 121.927 121.902 0.025 1
1 473 . 1 1 1 A 42 42 ASP H H 42 8.095 8.097 -0.002 1
1 474 . 1 1 1 A 42 42 ASP HA H 42 4.795 4.879 -0.084 1
1 477 . 1 1 1 A 42 42 ASP C C 42 175.052 176.577 -1.525 1
1 478 . 1 1 1 A 42 42 ASP CA C 42 53.155 52.314 0.841 1
1 479 . 1 1 1 A 42 42 ASP CB C 42 41.860 44.189 -2.329 1
1 480 . 1 1 1 A 42 42 ASP N N 42 112.020 116.537 -4.517 1
1 481 . 1 1 1 A 43 43 GLU H H 43 8.899 8.704 0.195 1
1 482 . 1 1 1 A 43 43 GLU C C 43 176.336 176.488 -0.152 1
1 483 . 1 1 1 A 43 43 GLU CA C 43 57.021 58.616 -1.595 1
1 484 . 1 1 1 A 43 43 GLU CB C 43 27.493 28.475 -0.982 1
1 485 . 1 1 1 A 43 43 GLU N N 43 116.402 120.417 -4.015 1
1 486 . 1 1 1 A 44 44 THR H H 44 8.093 7.501 0.592 1
1 487 . 1 1 1 A 44 44 THR HA H 44 3.915 4.168 -0.253 1
1 492 . 1 1 1 A 44 44 THR CA C 44 63.143 61.512 1.631 1
1 493 . 1 1 1 A 44 44 THR CB C 44 69.620 68.738 0.882 1
1 495 . 1 1 1 A 44 44 THR N N 44 111.376 111.168 0.208 1
1 496 . 1 1 1 A 45 45 ALA H H 45 7.815 8.400 -0.585 1
1 497 . 1 1 1 A 45 45 ALA HA H 45 3.430 3.951 -0.521 1
1 501 . 1 1 1 A 45 45 ALA C C 45 175.091 176.927 -1.836 1
1 502 . 1 1 1 A 45 45 ALA CA C 45 53.434 51.331 2.103 1
1 503 . 1 1 1 A 45 45 ALA CB C 45 15.567 17.536 -1.969 1
1 504 . 1 1 1 A 46 46 GLN H H 46 7.869 8.524 -0.655 1
1 505 . 1 1 1 A 46 46 GLN HA H 46 4.238 4.628 -0.390 1
1 512 . 1 1 1 A 46 46 GLN C C 46 176.190 175.855 0.335 1
1 513 . 1 1 1 A 46 46 GLN CA C 46 56.929 56.412 0.517 1
1 514 . 1 1 1 A 46 46 GLN CB C 46 30.454 31.150 -0.696 1
1 516 . 1 1 1 A 46 46 GLN N N 46 115.953 123.226 -7.273 1
1 518 . 1 1 1 A 47 47 ASP H H 47 8.326 8.231 0.095 1
1 519 . 1 1 1 A 47 47 ASP HA H 47 4.954 4.735 0.219 1
1 522 . 1 1 1 A 47 47 ASP C C 47 173.846 174.299 -0.453 1
1 523 . 1 1 1 A 47 47 ASP CA C 47 52.993 52.743 0.250 1
1 524 . 1 1 1 A 47 47 ASP CB C 47 41.558 41.233 0.325 1
1 525 . 1 1 1 A 47 47 ASP N N 47 119.830 119.771 0.059 1
1 526 . 1 1 1 A 48 48 GLU H H 48 8.756 8.649 0.107 1
1 527 . 1 1 1 A 48 48 GLU HA H 48 3.785 3.599 0.186 1
1 532 . 1 1 1 A 48 48 GLU C C 48 175.892 176.095 -0.203 1
1 533 . 1 1 1 A 48 48 GLU CA C 48 56.470 56.725 -0.255 1
1 534 . 1 1 1 A 48 48 GLU CB C 48 32.264 29.908 2.356 1
1 536 . 1 1 1 A 48 48 GLU N N 48 125.923 123.988 1.935 1
1 537 . 1 1 1 A 49 49 GLU H H 49 8.945 8.106 0.839 1
1 538 . 1 1 1 A 49 49 GLU HA H 49 4.164 4.354 -0.190 1
1 543 . 1 1 1 A 49 49 GLU C C 49 176.040 176.102 -0.062 1
1 544 . 1 1 1 A 49 49 GLU CA C 49 58.447 58.270 0.177 1
1 545 . 1 1 1 A 49 49 GLU CB C 49 30.207 31.112 -0.905 1
1 547 . 1 1 1 A 49 49 GLU N N 49 129.751 123.567 6.184 1
1 548 . 1 1 1 A 50 50 ASP H H 50 6.736 7.041 -0.305 1
1 549 . 1 1 1 A 50 50 ASP HA H 50 4.355 4.793 -0.438 1
1 552 . 1 1 1 A 50 50 ASP C C 50 172.562 173.369 -0.807 1
1 553 . 1 1 1 A 50 50 ASP CA C 50 52.729 53.260 -0.531 1
1 554 . 1 1 1 A 50 50 ASP CB C 50 43.737 43.908 -0.171 1
1 555 . 1 1 1 A 50 50 ASP N N 50 113.574 114.929 -1.355 1
1 556 . 1 1 1 A 51 51 ARG H H 51 8.532 8.537 -0.005 1
1 557 . 1 1 1 A 51 51 ARG HA H 51 5.005 4.914 0.091 1
1 565 . 1 1 1 A 51 51 ARG C C 51 174.656 174.572 0.084 1
1 566 . 1 1 1 A 51 51 ARG CA C 51 55.605 55.397 0.208 1
1 567 . 1 1 1 A 51 51 ARG CB C 51 33.520 33.969 -0.449 1
1 570 . 1 1 1 A 51 51 ARG N N 51 117.888 122.880 -4.992 1
1 572 . 1 1 1 A 52 52 VAL H H 52 9.155 9.155 0.000 1
1 573 . 1 1 1 A 52 52 VAL HA H 52 4.616 5.060 -0.444 1
1 581 . 1 1 1 A 52 52 VAL C C 52 174.710 175.052 -0.342 1
1 582 . 1 1 1 A 52 52 VAL CA C 52 59.382 59.231 0.151 1
1 583 . 1 1 1 A 52 52 VAL CB C 52 35.266 34.964 0.302 1
1 586 . 1 1 1 A 52 52 VAL N N 52 121.629 121.200 0.429 1
1 587 . 1 1 1 A 53 53 VAL H H 53 8.956 8.979 -0.023 1
1 588 . 1 1 1 A 53 53 VAL HA H 53 3.745 4.126 -0.381 1
1 596 . 1 1 1 A 53 53 VAL C C 53 174.610 175.614 -1.004 1
1 597 . 1 1 1 A 53 53 VAL CA C 53 64.676 63.237 1.439 1
1 598 . 1 1 1 A 53 53 VAL CB C 53 32.305 32.147 0.158 1
1 601 . 1 1 1 A 53 53 VAL N N 53 125.547 123.564 1.983 1
1 602 . 1 1 1 A 54 54 ILE H H 54 8.705 9.143 -0.438 1
1 603 . 1 1 1 A 54 54 ILE HA H 54 4.324 4.286 0.038 1
1 613 . 1 1 1 A 54 54 ILE C C 54 176.747 176.370 0.377 1
1 614 . 1 1 1 A 54 54 ILE CA C 54 58.623 62.904 -4.281 1
1 615 . 1 1 1 A 54 54 ILE CB C 54 36.787 39.527 -2.740 1
1 619 . 1 1 1 A 54 54 ILE N N 54 126.147 126.617 -0.470 1
1 620 . 1 1 1 A 55 55 HIS H H 55 7.913 7.835 0.078 1
1 621 . 1 1 1 A 55 55 HIS HA H 55 4.626 4.322 0.304 1
1 626 . 1 1 1 A 55 55 HIS C C 55 174.365 175.670 -1.305 1
1 627 . 1 1 1 A 55 55 HIS CA C 55 57.917 57.115 0.802 1
1 628 . 1 1 1 A 55 55 HIS CB C 55 29.796 29.644 0.152 1
1 631 . 1 1 1 A 55 55 HIS N N 55 119.790 122.551 -2.761 1
1 632 . 1 1 1 A 56 56 PHE H H 56 9.382 8.688 0.694 1
1 633 . 1 1 1 A 56 56 PHE HA H 56 4.225 4.290 -0.065 1
1 641 . 1 1 1 A 56 56 PHE C C 56 175.781 175.012 0.769 1
1 642 . 1 1 1 A 56 56 PHE CA C 56 57.593 58.302 -0.709 1
1 643 . 1 1 1 A 56 56 PHE CB C 56 36.664 36.148 0.516 1
1 649 . 1 1 1 A 56 56 PHE N N 56 124.614 122.928 1.686 1
1 650 . 1 1 1 A 57 57 ASN H H 57 8.755 7.670 1.085 1
1 651 . 1 1 1 A 57 57 ASN HA H 57 5.319 5.089 0.230 1
1 656 . 1 1 1 A 57 57 ASN C C 57 175.317 175.434 -0.117 1
1 657 . 1 1 1 A 57 57 ASN CA C 57 52.129 54.366 -2.237 1
1 658 . 1 1 1 A 57 57 ASN CB C 57 41.640 41.499 0.141 1
1 659 . 1 1 1 A 57 57 ASN N N 57 114.893 116.244 -1.351 1
1 661 . 1 1 1 A 58 58 VAL H H 58 8.606 7.510 1.096 1
1 662 . 1 1 1 A 58 58 VAL HA H 58 4.138 4.320 -0.182 1
1 670 . 1 1 1 A 58 58 VAL C C 58 175.486 176.107 -0.621 1
1 671 . 1 1 1 A 58 58 VAL CA C 58 63.035 63.389 -0.354 1
1 672 . 1 1 1 A 58 58 VAL CB C 58 32.733 31.361 1.372 1
1 675 . 1 1 1 A 58 58 VAL N N 58 121.476 119.092 2.384 1
1 676 . 1 1 1 A 59 59 ARG H H 59 9.233 8.930 0.303 1
1 677 . 1 1 1 A 59 59 ARG HA H 59 4.184 4.216 -0.032 1
1 684 . 1 1 1 A 59 59 ARG C C 59 175.572 175.270 0.302 1
1 685 . 1 1 1 A 59 59 ARG CA C 59 58.093 57.817 0.276 1
1 686 . 1 1 1 A 59 59 ARG CB C 59 31.236 31.342 -0.106 1
1 689 . 1 1 1 A 59 59 ARG N N 59 128.965 129.859 -0.894 1
1 690 . 1 1 1 A 60 60 ASP H H 60 7.745 7.644 0.101 1
1 691 . 1 1 1 A 60 60 ASP HA H 60 4.485 4.981 -0.496 1
1 694 . 1 1 1 A 60 60 ASP C C 60 173.047 173.982 -0.935 1
1 695 . 1 1 1 A 60 60 ASP CA C 60 53.911 53.529 0.382 1
1 696 . 1 1 1 A 60 60 ASP CB C 60 42.874 43.925 -1.051 1
1 697 . 1 1 1 A 60 60 ASP N N 60 113.170 117.263 -4.093 1
1 698 . 1 1 1 A 61 61 ILE H H 61 8.398 8.447 -0.049 1
1 699 . 1 1 1 A 61 61 ILE HA H 61 5.055 4.968 0.087 1
1 709 . 1 1 1 A 61 61 ILE C C 61 174.897 174.489 0.408 1
1 710 . 1 1 1 A 61 61 ILE CA C 61 60.511 60.301 0.210 1
1 711 . 1 1 1 A 61 61 ILE CB C 61 41.558 41.368 0.190 1
1 715 . 1 1 1 A 61 61 ILE N N 61 118.375 122.046 -3.671 1
1 716 . 1 1 1 A 62 62 LYS H H 62 8.619 8.962 -0.343 1
1 717 . 1 1 1 A 62 62 LYS HA H 62 4.711 5.130 -0.419 1
1 726 . 1 1 1 A 62 62 LYS C C 62 174.636 175.753 -1.117 1
1 727 . 1 1 1 A 62 62 LYS CA C 62 53.947 54.908 -0.961 1
1 728 . 1 1 1 A 62 62 LYS CB C 62 35.677 35.133 0.544 1
1 732 . 1 1 1 A 62 62 LYS N N 62 128.701 126.587 2.114 1
1 733 . 1 1 1 A 63 63 VAL H H 63 8.946 8.709 0.237 1
1 734 . 1 1 1 A 63 63 VAL HA H 63 5.073 4.691 0.382 1
1 742 . 1 1 1 A 63 63 VAL C C 63 177.772 176.064 1.708 1
1 743 . 1 1 1 A 63 63 VAL CA C 63 59.734 60.924 -1.190 1
1 744 . 1 1 1 A 63 63 VAL CB C 63 36.210 34.681 1.529 1
1 747 . 1 1 1 A 63 63 VAL N N 63 120.053 121.709 -1.656 1
1 748 . 1 1 1 A 64 64 GLY H H 64 9.804 9.025 0.779 1
1 749 . 1 1 1 A 64 64 GLY HA2 H 64 4.415 3.937 0.478 1
1 750 . 1 1 1 A 64 64 GLY HA3 H 64 3.906 3.939 -0.033 1
1 751 . 1 1 1 A 64 64 GLY C C 64 176.864 175.207 1.657 1
1 752 . 1 1 1 A 64 64 GLY CA C 64 47.063 46.696 0.367 1
1 753 . 1 1 1 A 64 64 GLY N N 64 118.354 114.514 3.840 1
1 754 . 1 1 1 A 65 65 GLN H H 65 9.045 8.852 0.193 1
1 755 . 1 1 1 A 65 65 GLN HA H 65 3.944 4.022 -0.078 1
1 762 . 1 1 1 A 65 65 GLN C C 65 176.698 177.980 -1.282 1
1 763 . 1 1 1 A 65 65 GLN CA C 65 57.793 58.987 -1.194 1
1 764 . 1 1 1 A 65 65 GLN CB C 65 27.822 28.794 -0.972 1
1 766 . 1 1 1 A 65 65 GLN N N 65 124.600 124.431 0.169 1
1 768 . 1 1 1 A 66 66 GLU H H 66 7.886 7.696 0.190 1
1 769 . 1 1 1 A 66 66 GLU HA H 66 4.145 4.059 0.086 1
1 774 . 1 1 1 A 66 66 GLU C C 66 178.049 177.066 0.983 1
1 775 . 1 1 1 A 66 66 GLU CA C 66 57.564 59.502 -1.938 1
1 776 . 1 1 1 A 66 66 GLU CB C 66 31.236 29.357 1.879 1
1 778 . 1 1 1 A 66 66 GLU N N 66 116.486 117.743 -1.257 1
1 779 . 1 1 1 A 67 67 CYS H H 67 8.015 7.948 0.067 1
1 780 . 1 1 1 A 67 67 CYS HA H 67 4.331 4.261 0.070 1
1 783 . 1 1 1 A 67 67 CYS C C 67 175.278 175.208 0.070 1
1 784 . 1 1 1 A 67 67 CYS CA C 67 58.817 60.092 -1.275 1
1 785 . 1 1 1 A 67 67 CYS CB C 67 26.342 28.388 -2.046 1
1 786 . 1 1 1 A 67 67 CYS N N 67 119.526 117.842 1.684 1
1 787 . 1 1 1 A 68 68 GLN H H 68 7.983 8.661 -0.678 1
1 788 . 1 1 1 A 68 68 GLN HA H 68 4.199 4.628 -0.429 1
1 795 . 1 1 1 A 68 68 GLN C C 68 175.866 175.209 0.657 1
1 796 . 1 1 1 A 68 68 GLN CA C 68 56.399 56.285 0.114 1
1 797 . 1 1 1 A 68 68 GLN CB C 68 29.837 30.904 -1.067 1
1 799 . 1 1 1 A 68 68 GLN N N 68 120.826 119.485 1.341 1
1 801 . 1 1 1 A 69 69 ASP H H 69 8.755 8.144 0.611 1
1 802 . 1 1 1 A 69 69 ASP HA H 69 4.395 4.831 -0.436 1
1 805 . 1 1 1 A 69 69 ASP C C 69 174.652 174.647 0.005 1
1 806 . 1 1 1 A 69 69 ASP CA C 69 54.546 53.136 1.410 1
1 807 . 1 1 1 A 69 69 ASP CB C 69 39.954 41.687 -1.733 1
1 808 . 1 1 1 A 69 69 ASP N N 69 117.691 119.170 -1.479 1
1 809 . 1 1 1 A 70 70 VAL H H 70 7.245 7.577 -0.332 1
1 810 . 1 1 1 A 70 70 VAL HA H 70 4.173 4.927 -0.754 1
1 818 . 1 1 1 A 70 70 VAL C C 70 173.502 174.099 -0.597 1
1 819 . 1 1 1 A 70 70 VAL CA C 70 60.502 60.398 0.104 1
1 820 . 1 1 1 A 70 70 VAL CB C 70 34.397 36.198 -1.801 1
1 823 . 1 1 1 A 70 70 VAL N N 70 116.632 120.366 -3.734 1
1 824 . 1 1 1 A 71 71 GLN H H 71 8.513 9.124 -0.611 1
1 825 . 1 1 1 A 71 71 GLN HA H 71 4.758 5.050 -0.292 1
1 832 . 1 1 1 A 71 71 GLN C C 71 173.404 173.878 -0.474 1
1 833 . 1 1 1 A 71 71 GLN CA C 71 52.093 52.708 -0.615 1
1 834 . 1 1 1 A 71 71 GLN CB C 71 29.467 32.540 -3.073 1
1 836 . 1 1 1 A 71 71 GLN N N 71 125.361 125.945 -0.584 1
1 838 . 1 1 1 A 72 72 PRO HA H 72 3.955 4.214 -0.259 1
1 845 . 1 1 1 A 72 72 PRO CA C 72 61.219 61.655 -0.436 1
1 846 . 1 1 1 A 72 72 PRO CB C 72 30.548 31.785 -1.237 1
1 849 . 1 1 1 A 73 73 PRO HA H 73 3.584 4.345 -0.761 1
1 856 . 1 1 1 A 73 73 PRO C C 73 175.005 175.965 -0.960 1
1 857 . 1 1 1 A 73 73 PRO CA C 73 61.764 61.865 -0.101 1
1 858 . 1 1 1 A 73 73 PRO CB C 73 30.080 32.536 -2.456 1
1 861 . 1 1 1 A 74 74 GLU H H 74 8.066 8.372 -0.306 1
1 862 . 1 1 1 A 74 74 GLU HA H 74 3.766 3.862 -0.096 1
1 867 . 1 1 1 A 74 74 GLU C C 74 177.415 177.091 0.324 1
1 868 . 1 1 1 A 74 74 GLU CA C 74 58.005 58.002 0.003 1
1 869 . 1 1 1 A 74 74 GLU CB C 74 29.340 29.332 0.008 1
1 871 . 1 1 1 A 74 74 GLU N N 74 120.425 121.625 -1.200 1
1 872 . 1 1 1 A 75 75 GLY H H 75 8.576 8.885 -0.309 1
1 873 . 1 1 1 A 75 75 GLY HA2 H 75 4.024 3.896 0.128 1
1 874 . 1 1 1 A 75 75 GLY HA3 H 75 3.568 3.919 -0.351 1
1 875 . 1 1 1 A 75 75 GLY C C 75 174.093 174.434 -0.341 1
1 876 . 1 1 1 A 75 75 GLY CA C 75 45.299 45.307 -0.008 1
1 877 . 1 1 1 A 75 75 GLY N N 75 112.779 115.065 -2.286 1
1 878 . 1 1 1 A 76 76 ARG H H 76 7.791 7.555 0.236 1
1 879 . 1 1 1 A 76 76 ARG HA H 76 4.444 4.217 0.227 1
1 887 . 1 1 1 A 76 76 ARG C C 76 175.188 174.854 0.334 1
1 888 . 1 1 1 A 76 76 ARG CA C 76 54.617 56.411 -1.794 1
1 889 . 1 1 1 A 76 76 ARG CB C 76 31.030 31.429 -0.399 1
1 892 . 1 1 1 A 76 76 ARG N N 76 121.088 121.270 -0.182 1
1 894 . 1 1 1 A 77 77 SER H H 77 8.235 8.192 0.043 1
1 895 . 1 1 1 A 77 77 SER HA H 77 4.405 5.021 -0.616 1
1 898 . 1 1 1 A 77 77 SER C C 77 176.069 174.094 1.975 1
1 899 . 1 1 1 A 77 77 SER CA C 77 56.805 56.329 0.476 1
1 900 . 1 1 1 A 77 77 SER CB C 77 64.136 65.745 -1.609 1
1 901 . 1 1 1 A 77 77 SER N N 77 113.991 114.697 -0.706 1
1 902 . 1 1 1 A 78 78 ARG H H 78 8.745 8.867 -0.122 1
1 903 . 1 1 1 A 78 78 ARG HA H 78 3.774 4.122 -0.348 1
1 909 . 1 1 1 A 78 78 ARG C C 78 176.758 176.840 -0.082 1
1 910 . 1 1 1 A 78 78 ARG CA C 78 58.341 58.540 -0.199 1
1 911 . 1 1 1 A 78 78 ARG CB C 78 30.043 29.954 0.089 1
1 914 . 1 1 1 A 78 78 ARG N N 78 122.262 125.199 -2.937 1
1 915 . 1 1 1 A 79 79 ASP H H 79 8.106 7.984 0.122 1
1 916 . 1 1 1 A 79 79 ASP HA H 79 4.175 4.643 -0.468 1
1 919 . 1 1 1 A 79 79 ASP C C 79 175.579 177.134 -1.555 1
1 920 . 1 1 1 A 79 79 ASP CA C 79 57.159 54.278 2.881 1
1 921 . 1 1 1 A 79 79 ASP CB C 79 40.900 41.150 -0.250 1
1 922 . 1 1 1 A 79 79 ASP N N 79 115.963 118.233 -2.270 1
1 923 . 1 1 1 A 80 80 GLY H H 80 7.305 7.496 -0.191 1
1 924 . 1 1 1 A 80 80 GLY HA2 H 80 4.047 4.047 0.000 1
1 925 . 1 1 1 A 80 80 GLY HA3 H 80 3.387 4.070 -0.683 1
1 926 . 1 1 1 A 80 80 GLY C C 80 174.263 174.504 -0.241 1
1 927 . 1 1 1 A 80 80 GLY CA C 80 44.276 45.512 -1.236 1
1 928 . 1 1 1 A 80 80 GLY N N 80 101.592 107.639 -6.047 1
1 929 . 1 1 1 A 81 81 LEU H H 81 7.307 7.291 0.016 1
1 930 . 1 1 1 A 81 81 LEU HA H 81 4.494 4.174 0.320 1
1 940 . 1 1 1 A 81 81 LEU C C 81 176.212 176.521 -0.309 1
1 941 . 1 1 1 A 81 81 LEU CA C 81 56.346 55.930 0.416 1
1 942 . 1 1 1 A 81 81 LEU CB C 81 44.025 42.388 1.637 1
1 946 . 1 1 1 A 81 81 LEU N N 81 121.062 122.509 -1.447 1
1 947 . 1 1 1 A 82 82 LEU H H 82 8.286 8.277 0.009 1
1 948 . 1 1 1 A 82 82 LEU HA H 82 5.260 4.982 0.278 1
1 958 . 1 1 1 A 82 82 LEU C C 82 175.122 174.461 0.661 1
1 959 . 1 1 1 A 82 82 LEU CA C 82 55.334 54.584 0.750 1
1 960 . 1 1 1 A 82 82 LEU CB C 82 46.064 45.892 0.172 1
1 964 . 1 1 1 A 82 82 LEU N N 82 118.524 122.092 -3.568 1
1 965 . 1 1 1 A 83 83 THR H H 83 9.095 8.581 0.514 1
1 966 . 1 1 1 A 83 83 THR HA H 83 5.305 5.324 -0.019 1
1 971 . 1 1 1 A 83 83 THR C C 83 173.754 173.261 0.493 1
1 972 . 1 1 1 A 83 83 THR CA C 83 61.076 61.661 -0.585 1
1 973 . 1 1 1 A 83 83 THR CB C 83 71.268 71.826 -0.558 1
1 975 . 1 1 1 A 83 83 THR N N 83 120.894 121.307 -0.413 1
1 976 . 1 1 1 A 84 84 VAL H H 84 9.175 8.864 0.311 1
1 977 . 1 1 1 A 84 84 VAL HA H 84 4.205 4.662 -0.457 1
1 985 . 1 1 1 A 84 84 VAL C C 84 173.741 174.762 -1.021 1
1 986 . 1 1 1 A 84 84 VAL CA C 84 61.182 60.906 0.276 1
1 987 . 1 1 1 A 84 84 VAL CB C 84 32.921 34.233 -1.312 1
1 990 . 1 1 1 A 84 84 VAL N N 84 127.342 126.294 1.048 1
1 991 . 1 1 1 A 85 85 ASN H H 85 8.597 9.199 -0.602 1
1 992 . 1 1 1 A 85 85 ASN HA H 85 4.960 5.497 -0.537 1
1 997 . 1 1 1 A 85 85 ASN C C 85 174.440 174.012 0.428 1
1 998 . 1 1 1 A 85 85 ASN CA C 85 52.870 51.755 1.115 1
1 999 . 1 1 1 A 85 85 ASN CB C 85 39.214 41.474 -2.260 1
1 1000 . 1 1 1 A 85 85 ASN N N 85 125.999 125.193 0.806 1
1 1002 . 1 1 1 A 86 86 LEU H H 86 8.283 8.628 -0.345 1
1 1003 . 1 1 1 A 86 86 LEU HA H 86 5.176 4.878 0.298 1
1 1013 . 1 1 1 A 86 86 LEU C C 86 178.644 177.945 0.699 1
1 1014 . 1 1 1 A 86 86 LEU CA C 86 53.700 53.314 0.386 1
1 1015 . 1 1 1 A 86 86 LEU CB C 86 42.298 43.769 -1.471 1
1 1019 . 1 1 1 A 86 86 LEU N N 86 125.763 124.233 1.530 1
1 1020 . 1 1 1 A 87 87 ARG H H 87 8.655 9.230 -0.575 1
1 1021 . 1 1 1 A 87 87 ARG HA H 87 3.905 4.094 -0.189 1
1 1028 . 1 1 1 A 87 87 ARG C C 87 177.223 177.942 -0.719 1
1 1029 . 1 1 1 A 87 87 ARG CA C 87 59.717 58.795 0.922 1
1 1030 . 1 1 1 A 87 87 ARG CB C 87 29.280 29.799 -0.519 1
1 1033 . 1 1 1 A 87 87 ARG N N 87 123.105 122.817 0.288 1
1 1034 . 1 1 1 A 88 88 GLU H H 88 8.525 7.975 0.550 1
1 1035 . 1 1 1 A 88 88 GLU HA H 88 4.515 4.225 0.290 1
1 1040 . 1 1 1 A 88 88 GLU C C 88 175.762 177.006 -1.244 1
1 1041 . 1 1 1 A 88 88 GLU CA C 88 55.852 55.992 -0.140 1
1 1042 . 1 1 1 A 88 88 GLU CB C 88 30.249 29.935 0.314 1
1 1044 . 1 1 1 A 88 88 GLU N N 88 117.722 117.639 0.083 1
1 1045 . 1 1 1 A 89 89 GLY H H 89 8.063 8.167 -0.104 1
1 1046 . 1 1 1 A 89 89 GLY HA2 H 89 3.735 4.048 -0.313 1
1 1047 . 1 1 1 A 89 89 GLY HA3 H 89 4.536 4.049 0.487 1
1 1048 . 1 1 1 A 89 89 GLY C C 89 173.864 174.750 -0.886 1
1 1049 . 1 1 1 A 89 89 GLY CA C 89 44.222 45.324 -1.102 1
1 1050 . 1 1 1 A 89 89 GLY N N 89 110.616 109.664 0.952 1
1 1051 . 1 1 1 A 90 90 SER H H 90 8.094 8.033 0.061 1
1 1052 . 1 1 1 A 90 90 SER HA H 90 4.484 4.472 0.012 1
1 1055 . 1 1 1 A 90 90 SER C C 90 172.813 174.708 -1.895 1
1 1056 . 1 1 1 A 90 90 SER CA C 90 58.552 59.401 -0.849 1
1 1057 . 1 1 1 A 90 90 SER CB C 90 63.915 64.277 -0.362 1
1 1058 . 1 1 1 A 90 90 SER N N 90 116.620 117.327 -0.707 1
1 1059 . 1 1 1 A 91 91 ARG H H 91 8.285 8.877 -0.592 1
1 1060 . 1 1 1 A 91 91 ARG HA H 91 4.725 5.143 -0.418 1
1 1067 . 1 1 1 A 91 91 ARG C C 91 175.511 174.908 0.603 1
1 1068 . 1 1 1 A 91 91 ARG CA C 91 55.870 53.740 2.130 1
1 1069 . 1 1 1 A 91 91 ARG CB C 91 32.058 33.863 -1.805 1
1 1072 . 1 1 1 A 91 91 ARG N N 91 121.045 120.134 0.911 1
1 1073 . 1 1 1 A 92 92 LEU H H 92 8.485 9.066 -0.581 1
1 1074 . 1 1 1 A 92 92 LEU HA H 92 4.555 4.963 -0.408 1
1 1084 . 1 1 1 A 92 92 LEU C C 92 174.815 175.665 -0.850 1
1 1085 . 1 1 1 A 92 92 LEU CA C 92 53.629 53.547 0.082 1
1 1086 . 1 1 1 A 92 92 LEU CB C 92 44.066 44.545 -0.479 1
1 1090 . 1 1 1 A 92 92 LEU N N 92 123.633 120.358 3.275 1
1 1091 . 1 1 1 A 93 93 HIS H H 93 8.871 9.077 -0.206 1
1 1092 . 1 1 1 A 93 93 HIS HA H 93 5.135 4.933 0.202 1
1 1097 . 1 1 1 A 93 93 HIS C C 93 173.251 175.196 -1.945 1
1 1098 . 1 1 1 A 93 93 HIS CA C 93 56.135 55.780 0.355 1
1 1099 . 1 1 1 A 93 93 HIS CB C 93 30.701 30.378 0.323 1
1 1101 . 1 1 1 A 93 93 HIS N N 93 124.492 123.497 0.995 1
1 1102 . 1 1 1 A 94 94 LEU H H 94 9.105 8.912 0.193 1
1 1103 . 1 1 1 A 94 94 LEU HA H 94 5.940 5.491 0.449 1
1 1113 . 1 1 1 A 94 94 LEU C C 94 177.396 175.659 1.737 1
1 1114 . 1 1 1 A 94 94 LEU CA C 94 52.552 53.530 -0.978 1
1 1115 . 1 1 1 A 94 94 LEU CB C 94 45.465 46.695 -1.230 1
1 1119 . 1 1 1 A 94 94 LEU N N 94 122.911 124.783 -1.872 1
1 1120 . 1 1 1 A 95 95 CYS H H 95 8.953 8.467 0.486 1
1 1121 . 1 1 1 A 95 95 CYS HA H 95 4.863 4.962 -0.099 1
1 1124 . 1 1 1 A 95 95 CYS C C 95 172.585 173.405 -0.820 1
1 1125 . 1 1 1 A 95 95 CYS CA C 95 59.964 58.672 1.292 1
1 1126 . 1 1 1 A 95 95 CYS CB C 95 29.220 30.854 -1.634 1
1 1127 . 1 1 1 A 95 95 CYS N N 95 118.920 118.528 0.392 1
1 1128 . 1 1 1 A 96 96 ALA H H 96 9.465 8.485 0.980 1
1 1129 . 1 1 1 A 96 96 ALA HA H 96 5.035 4.721 0.314 1
1 1133 . 1 1 1 A 96 96 ALA C C 96 177.396 178.285 -0.889 1
1 1134 . 1 1 1 A 96 96 ALA CA C 96 50.205 51.540 -1.335 1
1 1135 . 1 1 1 A 96 96 ALA CB C 96 21.571 20.007 1.564 1
1 1136 . 1 1 1 A 96 96 ALA N N 96 132.924 129.100 3.824 1
1 1137 . 1 1 1 A 97 97 GLU H H 97 9.636 8.994 0.642 1
1 1138 . 1 1 1 A 97 97 GLU HA H 97 4.344 4.183 0.161 1
1 1143 . 1 1 1 A 97 97 GLU C C 97 176.882 176.305 0.577 1
1 1144 . 1 1 1 A 97 97 GLU CA C 97 58.040 59.184 -1.144 1
1 1145 . 1 1 1 A 97 97 GLU CB C 97 30.207 29.112 1.095 1
1 1147 . 1 1 1 A 97 97 GLU N N 97 116.636 121.379 -4.743 1
1 1148 . 1 1 1 A 98 98 THR H H 98 7.155 7.716 -0.561 1
1 1149 . 1 1 1 A 98 98 THR HA H 98 4.684 4.672 0.012 1
1 1154 . 1 1 1 A 98 98 THR C C 98 174.259 174.770 -0.511 1
1 1155 . 1 1 1 A 98 98 THR CA C 98 58.323 59.669 -1.346 1
1 1156 . 1 1 1 A 98 98 THR CB C 98 73.529 72.716 0.813 1
1 1158 . 1 1 1 A 98 98 THR N N 98 102.167 110.345 -8.178 1
1 1159 . 1 1 1 A 99 99 ARG H H 99 9.025 8.839 0.186 1
1 1160 . 1 1 1 A 99 99 ARG HA H 99 4.056 4.059 -0.003 1
1 1167 . 1 1 1 A 99 99 ARG C C 99 177.995 177.947 0.048 1
1 1168 . 1 1 1 A 99 99 ARG CA C 99 59.029 59.149 -0.120 1
1 1169 . 1 1 1 A 99 99 ARG CB C 99 30.208 30.036 0.172 1
1 1172 . 1 1 1 A 99 99 ARG N N 99 122.747 120.725 2.022 1
1 1173 . 1 1 1 A 100 100 ASP H H 100 8.387 8.397 -0.010 1
1 1174 . 1 1 1 A 100 100 ASP HA H 100 4.306 4.297 0.009 1
1 1177 . 1 1 1 A 100 100 ASP C C 100 179.110 178.239 0.871 1
1 1178 . 1 1 1 A 100 100 ASP CA C 100 57.475 57.617 -0.142 1
1 1179 . 1 1 1 A 100 100 ASP CB C 100 40.201 41.793 -1.592 1
1 1180 . 1 1 1 A 100 100 ASP N N 100 116.422 119.710 -3.288 1
1 1181 . 1 1 1 A 101 101 ASP H H 101 8.046 7.664 0.382 1
1 1182 . 1 1 1 A 101 101 ASP HA H 101 4.576 4.376 0.200 1
1 1185 . 1 1 1 A 101 101 ASP C C 101 177.751 178.678 -0.927 1
1 1186 . 1 1 1 A 101 101 ASP CA C 101 57.229 57.338 -0.109 1
1 1187 . 1 1 1 A 101 101 ASP CB C 101 42.093 40.542 1.551 1
1 1188 . 1 1 1 A 101 101 ASP N N 101 120.742 119.093 1.649 1
1 1189 . 1 1 1 A 102 102 ALA H H 102 7.674 7.676 -0.002 1
1 1190 . 1 1 1 A 102 102 ALA HA H 102 4.084 4.187 -0.103 1
1 1194 . 1 1 1 A 102 102 ALA C C 102 179.609 179.928 -0.319 1
1 1195 . 1 1 1 A 102 102 ALA CA C 102 56.364 55.254 1.110 1
1 1196 . 1 1 1 A 102 102 ALA CB C 102 17.952 18.480 -0.528 1
1 1197 . 1 1 1 A 102 102 ALA N N 102 122.523 121.747 0.776 1
1 1198 . 1 1 1 A 103 103 ILE H H 103 8.499 8.228 0.271 1
1 1199 . 1 1 1 A 103 103 ILE HA H 103 3.681 3.675 0.006 1
1 1209 . 1 1 1 A 103 103 ILE C C 103 178.622 177.948 0.674 1
1 1210 . 1 1 1 A 103 103 ILE CA C 103 64.182 65.406 -1.224 1
1 1211 . 1 1 1 A 103 103 ILE CB C 103 37.240 37.698 -0.458 1
1 1215 . 1 1 1 A 103 103 ILE N N 103 117.417 117.990 -0.573 1
1 1216 . 1 1 1 A 104 104 ALA H H 104 8.174 8.360 -0.186 1
1 1217 . 1 1 1 A 104 104 ALA HA H 104 4.095 4.016 0.079 1
1 1221 . 1 1 1 A 104 104 ALA C C 104 181.998 179.372 2.626 1
1 1222 . 1 1 1 A 104 104 ALA CA C 104 55.517 54.995 0.522 1
1 1223 . 1 1 1 A 104 104 ALA CB C 104 17.294 18.489 -1.195 1
1 1224 . 1 1 1 A 104 104 ALA N N 104 124.916 121.411 3.505 1
1 1225 . 1 1 1 A 105 105 TRP H H 105 8.365 8.048 0.317 1
1 1226 . 1 1 1 A 105 105 TRP HA H 105 4.025 4.375 -0.350 1
1 1235 . 1 1 1 A 105 105 TRP C C 105 177.969 178.695 -0.726 1
1 1236 . 1 1 1 A 105 105 TRP CA C 105 62.011 60.165 1.846 1
1 1237 . 1 1 1 A 105 105 TRP CB C 105 29.179 29.219 -0.040 1
1 1243 . 1 1 1 A 105 105 TRP N N 105 119.726 118.101 1.625 1
1 1245 . 1 1 1 A 106 106 LYS H H 106 8.746 8.404 0.342 1
1 1246 . 1 1 1 A 106 106 LYS HA H 106 3.805 4.103 -0.298 1
1 1255 . 1 1 1 A 106 106 LYS C C 106 177.626 179.078 -1.452 1
1 1256 . 1 1 1 A 106 106 LYS CA C 106 60.865 59.420 1.445 1
1 1257 . 1 1 1 A 106 106 LYS CB C 106 31.606 32.007 -0.401 1
1 1261 . 1 1 1 A 106 106 LYS N N 106 120.565 120.890 -0.325 1
1 1262 . 1 1 1 A 107 107 THR H H 107 8.714 8.383 0.331 1
1 1263 . 1 1 1 A 107 107 THR HA H 107 3.774 3.865 -0.091 1
1 1268 . 1 1 1 A 107 107 THR C C 107 176.238 176.131 0.107 1
1 1269 . 1 1 1 A 107 107 THR CA C 107 66.688 66.736 -0.048 1
1 1270 . 1 1 1 A 107 107 THR CB C 107 69.065 68.624 0.441 1
1 1272 . 1 1 1 A 107 107 THR N N 107 115.018 117.917 -2.899 1
1 1273 . 1 1 1 A 108 108 ALA H H 108 7.769 8.045 -0.276 1
1 1274 . 1 1 1 A 108 108 ALA HA H 108 4.094 4.075 0.019 1
1 1278 . 1 1 1 A 108 108 ALA C C 108 180.611 180.050 0.561 1
1 1279 . 1 1 1 A 108 108 ALA CA C 108 55.005 55.012 -0.007 1
1 1280 . 1 1 1 A 108 108 ALA CB C 108 18.015 18.238 -0.223 1
1 1281 . 1 1 1 A 108 108 ALA N N 108 123.150 123.726 -0.576 1
1 1282 . 1 1 1 A 109 109 LEU H H 109 8.795 8.025 0.770 1
1 1283 . 1 1 1 A 109 109 LEU HA H 109 4.045 4.126 -0.081 1
1 1293 . 1 1 1 A 109 109 LEU C C 109 178.758 178.809 -0.051 1
1 1294 . 1 1 1 A 109 109 LEU CA C 109 58.093 57.877 0.216 1
1 1295 . 1 1 1 A 109 109 LEU CB C 109 42.298 42.002 0.296 1
1 1299 . 1 1 1 A 109 109 LEU N N 109 118.714 120.238 -1.524 1
1 1300 . 1 1 1 A 110 110 MET H H 110 8.582 8.524 0.058 1
1 1301 . 1 1 1 A 110 110 MET HA H 110 4.404 4.003 0.401 1
1 1309 . 1 1 1 A 110 110 MET C C 110 180.290 179.147 1.143 1
1 1310 . 1 1 1 A 110 110 MET CA C 110 56.876 59.008 -2.132 1
1 1311 . 1 1 1 A 110 110 MET CB C 110 30.002 32.624 -2.622 1
1 1314 . 1 1 1 A 110 110 MET N N 110 117.122 116.639 0.483 1
1 1315 . 1 1 1 A 111 111 GLU H H 111 8.062 7.888 0.174 1
1 1316 . 1 1 1 A 111 111 GLU HA H 111 4.126 3.993 0.133 1
1 1321 . 1 1 1 A 111 111 GLU C C 111 179.237 178.694 0.543 1
1 1322 . 1 1 1 A 111 111 GLU CA C 111 59.435 58.871 0.564 1
1 1323 . 1 1 1 A 111 111 GLU CB C 111 29.015 29.469 -0.454 1
1 1325 . 1 1 1 A 111 111 GLU N N 111 121.532 118.545 2.987 1
1 1326 . 1 1 1 A 112 112 ALA H H 112 7.975 7.654 0.321 1
1 1327 . 1 1 1 A 112 112 ALA HA H 112 4.265 4.125 0.140 1
1 1331 . 1 1 1 A 112 112 ALA C C 112 179.608 179.762 -0.154 1
1 1332 . 1 1 1 A 112 112 ALA CA C 112 54.158 54.955 -0.797 1
1 1333 . 1 1 1 A 112 112 ALA CB C 112 19.530 18.521 1.009 1
1 1334 . 1 1 1 A 112 112 ALA N N 112 121.838 122.504 -0.666 1
1 1335 . 1 1 1 A 113 113 ASN H H 113 8.115 8.346 -0.231 1
1 1336 . 1 1 1 A 113 113 ASN HA H 113 4.822 4.735 0.087 1
1 1341 . 1 1 1 A 113 113 ASN C C 113 176.296 175.840 0.456 1
1 1342 . 1 1 1 A 113 113 ASN CA C 113 56.311 55.940 0.371 1
1 1343 . 1 1 1 A 113 113 ASN CB C 113 40.283 38.783 1.500 1
1 1344 . 1 1 1 A 113 113 ASN N N 113 115.563 117.979 -2.416 1
1 1346 . 1 1 1 A 114 114 SER H H 114 7.365 7.995 -0.630 1
1 1347 . 1 1 1 A 114 114 SER HA H 114 4.545 3.789 0.756 1
1 1350 . 1 1 1 A 114 114 SER C C 114 174.126 172.358 1.768 1
1 1351 . 1 1 1 A 114 114 SER CA C 114 58.464 56.694 1.770 1
1 1352 . 1 1 1 A 114 114 SER CB C 114 64.400 63.946 0.454 1
1 1353 . 1 1 1 A 114 114 SER N N 114 108.652 112.692 -4.040 1
1 1354 . 1 1 1 A 115 115 THR H H 115 7.849 7.313 0.536 1
1 1355 . 1 1 1 A 115 115 THR HA H 115 4.599 4.889 -0.290 1
1 1360 . 1 1 1 A 115 115 THR C C 115 172.337 172.212 0.125 1
1 1361 . 1 1 1 A 115 115 THR CA C 115 60.817 59.161 1.656 1
1 1362 . 1 1 1 A 115 115 THR CB C 115 70.016 71.535 -1.519 1
1 1364 . 1 1 1 A 115 115 THR N N 115 118.885 117.187 1.698 1
1 1365 . 1 1 1 A 116 116 PRO HA H 116 4.404 4.837 -0.433 1
1 1372 . 1 1 1 A 116 116 PRO CA C 116 63.007 62.553 0.454 1
1 1373 . 1 1 1 A 116 116 PRO CB C 116 32.346 33.286 -0.940 1
1 1376 . 1 1 1 A 117 117 ALA H H 117 8.429 8.334 0.095 1
1 1377 . 1 1 1 A 117 117 ALA HA H 117 4.535 4.896 -0.361 1
1 1381 . 1 1 1 A 117 117 ALA CA C 117 50.359 49.754 0.605 1
1 1382 . 1 1 1 A 117 117 ALA CB C 117 18.069 22.262 -4.193 1
1 1383 . 1 1 1 A 117 117 ALA N N 117 125.693 121.852 3.841 1
1 1384 . 1 1 1 A 118 118 PRO HA H 118 4.377 4.559 -0.182 1
1 1391 . 1 1 1 A 118 118 PRO C C 118 176.656 176.496 0.160 1
1 1392 . 1 1 1 A 118 118 PRO CA C 118 63.105 63.734 -0.629 1
1 1393 . 1 1 1 A 118 118 PRO CB C 118 31.935 32.219 -0.284 1
1 1396 . 1 1 1 A 119 119 ALA H H 119 8.430 7.802 0.628 1
1 1397 . 1 1 1 A 119 119 ALA HA H 119 4.255 4.007 0.248 1
1 1401 . 1 1 1 A 119 119 ALA C C 119 178.416 177.620 0.796 1
1 1402 . 1 1 1 A 119 119 ALA CA C 119 52.744 54.091 -1.347 1
1 1403 . 1 1 1 A 119 119 ALA CB C 119 19.186 18.519 0.667 1
1 1404 . 1 1 1 A 119 119 ALA N N 119 124.565 123.858 0.707 1
1 1405 . 1 1 1 A 120 120 GLY H H 120 8.375 8.142 0.233 1
1 1406 . 1 1 1 A 120 120 GLY HA2 H 120 3.934 4.062 -0.128 1
1 1407 . 1 1 1 A 120 120 GLY HA3 H 120 3.934 4.065 -0.131 1
1 1408 . 1 1 1 A 120 120 GLY C C 120 173.810 172.994 0.816 1
1 1409 . 1 1 1 A 120 120 GLY CA C 120 45.176 45.724 -0.548 1
1 1410 . 1 1 1 A 120 120 GLY N N 120 108.353 110.799 -2.446 1
1 1411 . 1 1 1 A 121 121 ALA H H 121 8.116 7.879 0.237 1
1 1412 . 1 1 1 A 121 121 ALA HA H 121 4.379 4.768 -0.389 1
1 1416 . 1 1 1 A 121 121 ALA C C 121 177.908 175.445 2.463 1
1 1417 . 1 1 1 A 121 121 ALA CA C 121 52.446 51.559 0.887 1
1 1418 . 1 1 1 A 121 121 ALA CB C 121 19.433 20.915 -1.482 1
1 1419 . 1 1 1 A 121 121 ALA N N 121 123.561 121.933 1.628 1
1 1420 . 1 1 1 A 122 122 THR H H 122 8.212 8.823 -0.611 1
1 1421 . 1 1 1 A 122 122 THR C C 122 174.317 172.732 1.585 1
1 1422 . 1 1 1 A 122 122 THR CA C 122 61.888 60.313 1.575 1
1 1423 . 1 1 1 A 122 122 THR CB C 122 69.648 71.503 -1.855 1
1 1425 . 1 1 1 A 122 122 THR N N 122 114.319 116.922 -2.603 1
1 1426 . 1 1 1 A 123 123 VAL H H 123 8.222 8.785 -0.563 1
1 1427 . 1 1 1 A 123 123 VAL HA H 123 4.455 4.791 -0.336 1
1 1435 . 1 1 1 A 123 123 VAL C C 123 174.373 175.531 -1.158 1
1 1436 . 1 1 1 A 123 123 VAL CA C 123 59.717 57.766 1.951 1
1 1437 . 1 1 1 A 123 123 VAL CB C 123 32.593 34.447 -1.854 1
1 1440 . 1 1 1 A 123 123 VAL N N 123 124.311 119.499 4.812 1
1 1441 . 1 1 1 A 124 124 PRO HA H 124 4.403 4.510 -0.107 1
1 1446 . 1 1 1 A 124 124 PRO C C 124 176.873 176.755 0.118 1
1 1447 . 1 1 1 A 124 124 PRO CA C 124 63.211 63.601 -0.390 1
1 1448 . 1 1 1 A 124 124 PRO CB C 124 32.017 32.153 -0.136 1
1 1451 . 1 1 1 A 125 125 SER H H 125 8.426 7.701 0.725 1
1 1452 . 1 1 1 A 125 125 SER HA H 125 4.448 4.289 0.159 1
1 1455 . 1 1 1 A 125 125 SER C C 125 174.598 174.944 -0.346 1
1 1456 . 1 1 1 A 125 125 SER CA C 125 58.341 59.464 -1.123 1
1 1457 . 1 1 1 A 125 125 SER CB C 125 64.054 63.353 0.701 1
1 1458 . 1 1 1 A 125 125 SER N N 125 116.463 113.629 2.834 1
1 1459 . 1 1 1 A 126 126 GLY H H 126 8.233 8.445 -0.212 1
1 1460 . 1 1 1 A 126 126 GLY C C 126 171.756 171.484 0.272 1
1 1461 . 1 1 1 A 126 126 GLY CA C 126 44.611 45.481 -0.870 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.445 5.170 -0.725 1
1 4 . 2 1 1 A 6 6 SER C C 6 174.707 175.463 -0.756 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.482 56.274 2.208 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.848 65.602 -1.754 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.494 8.925 -0.431 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 4.105 3.995 0.110 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 4.105 4.024 0.081 1
1 10 . 2 1 1 A 7 7 GLY C C 7 172.961 174.702 -1.741 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.864 47.706 -1.842 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.325 113.482 -3.157 1
1 13 . 2 1 1 A 8 8 LEU H H 8 8.295 7.714 0.581 1
1 14 . 2 1 1 A 8 8 LEU HA H 8 4.268 4.722 -0.454 1
1 24 . 2 1 1 A 8 8 LEU C C 8 176.773 175.698 1.075 1
1 25 . 2 1 1 A 8 8 LEU CA C 8 55.587 54.352 1.235 1
1 26 . 2 1 1 A 8 8 LEU CB C 8 43.367 43.889 -0.522 1
1 30 . 2 1 1 A 8 8 LEU N N 8 123.800 122.003 1.797 1
1 31 . 2 1 1 A 9 9 VAL H H 9 9.290 8.764 0.526 1
1 32 . 2 1 1 A 9 9 VAL HA H 9 3.826 4.081 -0.255 1
1 40 . 2 1 1 A 9 9 VAL C C 9 176.540 175.747 0.793 1
1 41 . 2 1 1 A 9 9 VAL CA C 9 64.888 63.676 1.212 1
1 42 . 2 1 1 A 9 9 VAL CB C 9 32.264 32.621 -0.357 1
1 45 . 2 1 1 A 9 9 VAL N N 9 129.415 125.872 3.543 1
1 46 . 2 1 1 A 10 10 ARG H H 10 7.135 7.467 -0.332 1
1 47 . 2 1 1 A 10 10 ARG HA H 10 4.126 4.631 -0.505 1
1 55 . 2 1 1 A 10 10 ARG C C 10 171.942 174.503 -2.561 1
1 56 . 2 1 1 A 10 10 ARG CA C 10 55.800 55.197 0.603 1
1 57 . 2 1 1 A 10 10 ARG CB C 10 32.223 33.777 -1.554 1
1 60 . 2 1 1 A 10 10 ARG N N 10 117.246 117.375 -0.129 1
1 62 . 2 1 1 A 11 11 GLY H H 11 8.390 8.359 0.031 1
1 63 . 2 1 1 A 11 11 GLY HA2 H 11 3.204 3.630 -0.426 1
1 64 . 2 1 1 A 11 11 GLY HA3 H 11 5.336 3.747 1.589 1
1 65 . 2 1 1 A 11 11 GLY C C 11 172.895 172.683 0.212 1
1 66 . 2 1 1 A 11 11 GLY CA C 11 43.481 44.287 -0.806 1
1 67 . 2 1 1 A 11 11 GLY N N 11 113.527 111.296 2.231 1
1 68 . 2 1 1 A 12 12 GLY H H 12 7.935 6.267 1.668 1
1 69 . 2 1 1 A 12 12 GLY C C 12 171.502 172.070 -0.568 1
1 70 . 2 1 1 A 12 12 GLY CA C 12 46.093 44.172 1.921 1
1 71 . 2 1 1 A 13 13 TRP H H 13 8.904 8.443 0.461 1
1 72 . 2 1 1 A 13 13 TRP HA H 13 5.205 5.703 -0.498 1
1 81 . 2 1 1 A 13 13 TRP C C 13 177.926 175.613 2.313 1
1 82 . 2 1 1 A 13 13 TRP CA C 13 57.846 55.432 2.414 1
1 83 . 2 1 1 A 13 13 TRP CB C 13 30.290 32.921 -2.631 1
1 89 . 2 1 1 A 13 13 TRP N N 13 121.758 120.095 1.663 1
1 91 . 2 1 1 A 14 14 LEU H H 14 9.295 8.891 0.404 1
1 92 . 2 1 1 A 14 14 LEU HA H 14 4.683 4.819 -0.136 1
1 102 . 2 1 1 A 14 14 LEU C C 14 175.828 175.491 0.337 1
1 103 . 2 1 1 A 14 14 LEU CA C 14 54.670 53.510 1.160 1
1 104 . 2 1 1 A 14 14 LEU CB C 14 47.562 45.826 1.736 1
1 108 . 2 1 1 A 14 14 LEU N N 14 123.447 123.301 0.146 1
1 109 . 2 1 1 A 15 15 TRP H H 15 8.655 8.844 -0.189 1
1 110 . 2 1 1 A 15 15 TRP HA H 15 5.315 5.607 -0.292 1
1 119 . 2 1 1 A 15 15 TRP C C 15 175.899 175.685 0.214 1
1 120 . 2 1 1 A 15 15 TRP CA C 15 57.159 56.992 0.167 1
1 121 . 2 1 1 A 15 15 TRP CB C 15 30.759 30.827 -0.068 1
1 127 . 2 1 1 A 15 15 TRP N N 15 119.571 123.427 -3.856 1
1 129 . 2 1 1 A 16 16 ARG H H 16 10.145 9.578 0.567 1
1 130 . 2 1 1 A 16 16 ARG HA H 16 5.495 5.165 0.330 1
1 138 . 2 1 1 A 16 16 ARG C C 16 174.930 175.678 -0.748 1
1 139 . 2 1 1 A 16 16 ARG CA C 16 54.334 53.885 0.449 1
1 140 . 2 1 1 A 16 16 ARG CB C 16 34.808 33.519 1.289 1
1 143 . 2 1 1 A 16 16 ARG N N 16 121.997 126.169 -4.172 1
1 145 . 2 1 1 A 17 17 GLN H H 17 8.233 8.062 0.171 1
1 146 . 2 1 1 A 17 17 GLN HA H 17 3.797 4.220 -0.423 1
1 153 . 2 1 1 A 17 17 GLN C C 17 175.654 175.823 -0.169 1
1 154 . 2 1 1 A 17 17 GLN CA C 17 55.446 55.173 0.273 1
1 155 . 2 1 1 A 17 17 GLN CB C 17 29.056 28.996 0.060 1
1 157 . 2 1 1 A 17 17 GLN N N 17 128.414 127.544 0.870 1
1 159 . 2 1 1 A 18 18 SER H H 18 8.635 8.794 -0.159 1
1 160 . 2 1 1 A 18 18 SER HA H 18 4.575 4.550 0.025 1
1 163 . 2 1 1 A 18 18 SER C C 18 175.585 175.105 0.480 1
1 164 . 2 1 1 A 18 18 SER CA C 18 57.246 57.399 -0.153 1
1 165 . 2 1 1 A 18 18 SER CB C 18 64.012 64.850 -0.838 1
1 166 . 2 1 1 A 18 18 SER N N 18 122.600 121.025 1.575 1
1 167 . 2 1 1 A 20 20 ILE H H 20 7.976 7.823 0.153 1
1 168 . 2 1 1 A 20 20 ILE HA H 20 4.036 4.026 0.010 1
1 178 . 2 1 1 A 20 20 ILE C C 20 176.929 177.565 -0.636 1
1 179 . 2 1 1 A 20 20 ILE CA C 20 62.929 63.210 -0.281 1
1 180 . 2 1 1 A 20 20 ILE CB C 20 37.912 38.290 -0.378 1
1 184 . 2 1 1 A 20 20 ILE N N 20 120.700 116.007 4.693 1
1 185 . 2 1 1 A 21 21 LEU H H 21 8.089 7.779 0.310 1
1 186 . 2 1 1 A 21 21 LEU HA H 21 4.159 4.211 -0.052 1
1 196 . 2 1 1 A 21 21 LEU C C 21 176.455 176.180 0.275 1
1 197 . 2 1 1 A 21 21 LEU CA C 21 55.287 55.308 -0.021 1
1 198 . 2 1 1 A 21 21 LEU CB C 21 42.051 41.905 0.146 1
1 202 . 2 1 1 A 21 21 LEU N N 21 119.540 120.975 -1.435 1
1 203 . 2 1 1 A 22 22 ARG H H 22 7.687 7.760 -0.073 1
1 204 . 2 1 1 A 22 22 ARG HA H 22 3.806 3.700 0.106 1
1 211 . 2 1 1 A 22 22 ARG C C 22 175.087 174.450 0.637 1
1 212 . 2 1 1 A 22 22 ARG CA C 22 56.788 57.106 -0.318 1
1 213 . 2 1 1 A 22 22 ARG CB C 22 27.130 27.444 -0.314 1
1 216 . 2 1 1 A 22 22 ARG N N 22 114.383 116.537 -2.154 1
1 217 . 2 1 1 A 23 23 ARG H H 23 7.392 7.560 -0.168 1
1 218 . 2 1 1 A 23 23 ARG HA H 23 4.603 4.821 -0.218 1
1 225 . 2 1 1 A 23 23 ARG C C 23 176.112 175.039 1.073 1
1 226 . 2 1 1 A 23 23 ARG CA C 23 54.846 54.685 0.161 1
1 227 . 2 1 1 A 23 23 ARG CB C 23 32.387 32.441 -0.054 1
1 230 . 2 1 1 A 23 23 ARG N N 23 115.846 117.161 -1.315 1
1 231 . 2 1 1 A 24 24 TRP H H 24 9.013 8.690 0.323 1
1 232 . 2 1 1 A 24 24 TRP HA H 24 5.154 5.204 -0.050 1
1 241 . 2 1 1 A 24 24 TRP C C 24 176.347 176.601 -0.254 1
1 242 . 2 1 1 A 24 24 TRP CA C 24 57.546 57.719 -0.173 1
1 243 . 2 1 1 A 24 24 TRP CB C 24 31.112 30.941 0.171 1
1 249 . 2 1 1 A 24 24 TRP N N 24 123.861 122.537 1.324 1
1 251 . 2 1 1 A 25 25 LYS H H 25 9.553 9.512 0.041 1
1 252 . 2 1 1 A 25 25 LYS HA H 25 4.992 5.534 -0.542 1
1 261 . 2 1 1 A 25 25 LYS C C 25 173.887 175.641 -1.754 1
1 262 . 2 1 1 A 25 25 LYS CA C 25 55.023 55.035 -0.012 1
1 263 . 2 1 1 A 25 25 LYS CB C 25 35.965 36.357 -0.392 1
1 267 . 2 1 1 A 25 25 LYS N N 25 123.241 120.130 3.111 1
1 268 . 2 1 1 A 26 26 ARG H H 26 8.705 8.619 0.086 1
1 269 . 2 1 1 A 26 26 ARG HA H 26 4.494 3.950 0.544 1
1 276 . 2 1 1 A 26 26 ARG C C 26 175.755 176.340 -0.585 1
1 277 . 2 1 1 A 26 26 ARG CA C 26 56.046 56.519 -0.473 1
1 278 . 2 1 1 A 26 26 ARG CB C 26 30.783 30.530 0.253 1
1 281 . 2 1 1 A 26 26 ARG N N 26 124.843 122.395 2.448 1
1 282 . 2 1 1 A 27 27 ASN H H 27 9.100 8.961 0.139 1
1 283 . 2 1 1 A 27 27 ASN HA H 27 5.235 5.232 0.003 1
1 288 . 2 1 1 A 27 27 ASN CA C 27 54.041 52.147 1.894 1
1 289 . 2 1 1 A 27 27 ASN CB C 27 46.737 42.516 4.221 1
1 290 . 2 1 1 A 27 27 ASN N N 27 123.044 120.530 2.514 1
1 292 . 2 1 1 A 28 28 TRP H H 28 7.835 8.284 -0.449 1
1 293 . 2 1 1 A 28 28 TRP HA H 28 4.105 4.618 -0.513 1
1 299 . 2 1 1 A 28 28 TRP N N 28 122.540 126.067 -3.527 1
1 300 . 2 1 1 A 29 29 PHE H H 29 8.755 8.441 0.314 1
1 301 . 2 1 1 A 29 29 PHE HA H 29 5.001 4.947 0.054 1
1 309 . 2 1 1 A 29 29 PHE CA C 29 56.692 56.474 0.218 1
1 310 . 2 1 1 A 29 29 PHE CB C 29 42.284 41.103 1.181 1
1 316 . 2 1 1 A 29 29 PHE N N 29 129.716 126.343 3.373 1
1 317 . 2 1 1 A 30 30 ALA H H 30 8.695 8.389 0.306 1
1 321 . 2 1 1 A 30 30 ALA C C 30 173.958 174.677 -0.719 1
1 322 . 2 1 1 A 30 30 ALA CA C 30 50.611 51.280 -0.669 1
1 323 . 2 1 1 A 30 30 ALA CB C 30 22.570 22.527 0.043 1
1 324 . 2 1 1 A 31 31 LEU H H 31 8.815 8.107 0.708 1
1 325 . 2 1 1 A 31 31 LEU HA H 31 5.003 4.762 0.241 1
1 335 . 2 1 1 A 31 31 LEU C C 31 174.414 174.461 -0.047 1
1 336 . 2 1 1 A 31 31 LEU CA C 31 53.240 53.681 -0.441 1
1 337 . 2 1 1 A 31 31 LEU CB C 31 44.783 44.695 0.088 1
1 341 . 2 1 1 A 31 31 LEU N N 31 124.610 124.496 0.114 1
1 342 . 2 1 1 A 32 32 TRP H H 32 9.045 8.866 0.179 1
1 343 . 2 1 1 A 32 32 TRP HA H 32 5.499 5.623 -0.124 1
1 352 . 2 1 1 A 32 32 TRP C C 32 178.871 177.125 1.746 1
1 353 . 2 1 1 A 32 32 TRP CA C 32 55.552 55.975 -0.423 1
1 354 . 2 1 1 A 32 32 TRP CB C 32 32.346 31.935 0.411 1
1 360 . 2 1 1 A 32 32 TRP N N 32 128.500 126.926 1.574 1
1 362 . 2 1 1 A 33 33 LEU H H 33 9.246 9.271 -0.025 1
1 363 . 2 1 1 A 33 33 LEU HA H 33 4.075 4.152 -0.077 1
1 373 . 2 1 1 A 33 33 LEU C C 33 176.859 178.414 -1.555 1
1 374 . 2 1 1 A 33 33 LEU CA C 33 57.035 57.569 -0.534 1
1 375 . 2 1 1 A 33 33 LEU CB C 33 42.651 41.488 1.163 1
1 379 . 2 1 1 A 33 33 LEU N N 33 123.838 125.550 -1.712 1
1 380 . 2 1 1 A 34 34 ASP H H 34 7.536 8.083 -0.547 1
1 381 . 2 1 1 A 34 34 ASP HA H 34 4.395 4.580 -0.185 1
1 384 . 2 1 1 A 34 34 ASP C C 34 177.113 176.688 0.425 1
1 385 . 2 1 1 A 34 34 ASP CA C 34 53.805 54.258 -0.453 1
1 386 . 2 1 1 A 34 34 ASP CB C 34 39.625 40.990 -1.365 1
1 387 . 2 1 1 A 34 34 ASP N N 34 115.948 116.715 -0.767 1
1 388 . 2 1 1 A 35 35 GLY H H 35 8.264 8.822 -0.558 1
1 389 . 2 1 1 A 35 35 GLY HA2 H 35 4.205 4.020 0.185 1
1 390 . 2 1 1 A 35 35 GLY HA3 H 35 3.895 4.035 -0.140 1
1 391 . 2 1 1 A 35 35 GLY C C 35 173.898 173.863 0.035 1
1 392 . 2 1 1 A 35 35 GLY CA C 35 46.216 46.627 -0.411 1
1 393 . 2 1 1 A 35 35 GLY N N 35 106.508 109.041 -2.533 1
1 394 . 2 1 1 A 36 36 THR H H 36 8.035 7.717 0.318 1
1 395 . 2 1 1 A 36 36 THR HA H 36 5.123 5.187 -0.064 1
1 400 . 2 1 1 A 36 36 THR C C 36 170.669 173.058 -2.389 1
1 401 . 2 1 1 A 36 36 THR CA C 36 60.588 59.417 1.171 1
1 402 . 2 1 1 A 36 36 THR CB C 36 72.314 72.960 -0.646 1
1 404 . 2 1 1 A 36 36 THR N N 36 112.047 110.123 1.924 1
1 405 . 2 1 1 A 37 37 LEU H H 37 9.344 9.360 -0.016 1
1 406 . 2 1 1 A 37 37 LEU HA H 37 5.616 5.181 0.435 1
1 416 . 2 1 1 A 37 37 LEU C C 37 175.787 174.892 0.895 1
1 417 . 2 1 1 A 37 37 LEU CA C 37 52.799 53.771 -0.972 1
1 418 . 2 1 1 A 37 37 LEU CB C 37 46.698 44.952 1.746 1
1 422 . 2 1 1 A 37 37 LEU N N 37 122.915 123.816 -0.901 1
1 423 . 2 1 1 A 38 38 GLY H H 38 9.685 8.766 0.919 1
1 424 . 2 1 1 A 38 38 GLY HA2 H 38 5.074 4.059 1.015 1
1 425 . 2 1 1 A 38 38 GLY HA3 H 38 3.825 4.288 -0.463 1
1 426 . 2 1 1 A 38 38 GLY C C 38 172.258 172.317 -0.059 1
1 427 . 2 1 1 A 38 38 GLY CA C 38 43.676 44.008 -0.332 1
1 428 . 2 1 1 A 38 38 GLY N N 38 113.092 113.778 -0.686 1
1 429 . 2 1 1 A 39 39 TYR H H 39 7.362 7.372 -0.010 1
1 430 . 2 1 1 A 39 39 TYR HA H 39 5.251 5.313 -0.062 1
1 437 . 2 1 1 A 39 39 TYR C C 39 175.367 174.383 0.984 1
1 438 . 2 1 1 A 39 39 TYR CA C 39 54.282 55.440 -1.158 1
1 439 . 2 1 1 A 39 39 TYR CB C 39 37.774 40.373 -2.599 1
1 444 . 2 1 1 A 39 39 TYR N N 39 113.951 118.783 -4.832 1
1 445 . 2 1 1 A 40 40 TYR H H 40 9.315 8.945 0.370 1
1 446 . 2 1 1 A 40 40 TYR HA H 40 5.305 4.879 0.426 1
1 453 . 2 1 1 A 40 40 TYR C C 40 177.694 176.397 1.297 1
1 454 . 2 1 1 A 40 40 TYR CA C 40 57.185 57.095 0.090 1
1 455 . 2 1 1 A 40 40 TYR CB C 40 43.779 41.957 1.822 1
1 460 . 2 1 1 A 40 40 TYR N N 40 117.930 121.429 -3.499 1
1 461 . 2 1 1 A 41 41 HIS H H 41 8.658 8.936 -0.278 1
1 462 . 2 1 1 A 41 41 HIS HA H 41 4.654 4.476 0.178 1
1 467 . 2 1 1 A 41 41 HIS C C 41 174.858 174.859 -0.001 1
1 468 . 2 1 1 A 41 41 HIS CA C 41 59.159 59.220 -0.061 1
1 469 . 2 1 1 A 41 41 HIS CB C 41 31.094 30.025 1.069 1
1 472 . 2 1 1 A 41 41 HIS N N 41 121.927 121.303 0.624 1
1 473 . 2 1 1 A 42 42 ASP H H 42 8.095 8.017 0.078 1
1 474 . 2 1 1 A 42 42 ASP HA H 42 4.795 4.912 -0.117 1
1 477 . 2 1 1 A 42 42 ASP C C 42 175.052 176.711 -1.659 1
1 478 . 2 1 1 A 42 42 ASP CA C 42 53.155 52.641 0.514 1
1 479 . 2 1 1 A 42 42 ASP CB C 42 41.860 43.812 -1.952 1
1 480 . 2 1 1 A 42 42 ASP N N 42 112.020 115.285 -3.265 1
1 481 . 2 1 1 A 43 43 GLU H H 43 8.899 8.830 0.069 1
1 482 . 2 1 1 A 43 43 GLU C C 43 176.336 176.811 -0.475 1
1 483 . 2 1 1 A 43 43 GLU CA C 43 57.021 58.827 -1.806 1
1 484 . 2 1 1 A 43 43 GLU CB C 43 27.493 28.901 -1.408 1
1 485 . 2 1 1 A 43 43 GLU N N 43 116.402 121.451 -5.049 1
1 486 . 2 1 1 A 44 44 THR H H 44 8.093 7.701 0.392 1
1 487 . 2 1 1 A 44 44 THR HA H 44 3.915 4.308 -0.393 1
1 492 . 2 1 1 A 44 44 THR CA C 44 63.143 61.004 2.139 1
1 493 . 2 1 1 A 44 44 THR CB C 44 69.620 69.137 0.483 1
1 495 . 2 1 1 A 44 44 THR N N 44 111.376 111.012 0.364 1
1 496 . 2 1 1 A 45 45 ALA H H 45 7.815 8.809 -0.994 1
1 497 . 2 1 1 A 45 45 ALA HA H 45 3.430 4.155 -0.725 1
1 501 . 2 1 1 A 45 45 ALA C C 45 175.091 177.628 -2.537 1
1 502 . 2 1 1 A 45 45 ALA CA C 45 53.434 52.152 1.282 1
1 503 . 2 1 1 A 45 45 ALA CB C 45 15.567 18.140 -2.573 1
1 504 . 2 1 1 A 46 46 GLN H H 46 7.869 8.011 -0.142 1
1 505 . 2 1 1 A 46 46 GLN HA H 46 4.238 4.181 0.057 1
1 512 . 2 1 1 A 46 46 GLN C C 46 176.190 176.953 -0.763 1
1 513 . 2 1 1 A 46 46 GLN CA C 46 56.929 57.905 -0.976 1
1 514 . 2 1 1 A 46 46 GLN CB C 46 30.454 29.220 1.234 1
1 516 . 2 1 1 A 46 46 GLN N N 46 115.953 119.239 -3.286 1
1 518 . 2 1 1 A 47 47 ASP H H 47 8.326 8.015 0.311 1
1 519 . 2 1 1 A 47 47 ASP HA H 47 4.954 4.822 0.132 1
1 522 . 2 1 1 A 47 47 ASP C C 47 173.846 175.839 -1.993 1
1 523 . 2 1 1 A 47 47 ASP CA C 47 52.993 52.726 0.267 1
1 524 . 2 1 1 A 47 47 ASP CB C 47 41.558 39.999 1.559 1
1 525 . 2 1 1 A 47 47 ASP N N 47 119.830 118.210 1.620 1
1 526 . 2 1 1 A 48 48 GLU H H 48 8.756 7.741 1.015 1
1 527 . 2 1 1 A 48 48 GLU HA H 48 3.785 4.047 -0.262 1
1 532 . 2 1 1 A 48 48 GLU C C 48 175.892 176.882 -0.990 1
1 533 . 2 1 1 A 48 48 GLU CA C 48 56.470 57.385 -0.915 1
1 534 . 2 1 1 A 48 48 GLU CB C 48 32.264 30.699 1.565 1
1 536 . 2 1 1 A 48 48 GLU N N 48 125.923 123.172 2.751 1
1 537 . 2 1 1 A 49 49 GLU H H 49 8.945 8.595 0.350 1
1 538 . 2 1 1 A 49 49 GLU HA H 49 4.164 4.364 -0.200 1
1 543 . 2 1 1 A 49 49 GLU C C 49 176.040 175.887 0.153 1
1 544 . 2 1 1 A 49 49 GLU CA C 49 58.447 58.255 0.192 1
1 545 . 2 1 1 A 49 49 GLU CB C 49 30.207 30.912 -0.705 1
1 547 . 2 1 1 A 49 49 GLU N N 49 129.751 125.752 3.999 1
1 548 . 2 1 1 A 50 50 ASP H H 50 6.736 7.112 -0.376 1
1 549 . 2 1 1 A 50 50 ASP HA H 50 4.355 4.825 -0.470 1
1 552 . 2 1 1 A 50 50 ASP C C 50 172.562 173.409 -0.847 1
1 553 . 2 1 1 A 50 50 ASP CA C 50 52.729 53.269 -0.540 1
1 554 . 2 1 1 A 50 50 ASP CB C 50 43.737 44.337 -0.600 1
1 555 . 2 1 1 A 50 50 ASP N N 50 113.574 115.737 -2.163 1
1 556 . 2 1 1 A 51 51 ARG H H 51 8.532 8.597 -0.065 1
1 557 . 2 1 1 A 51 51 ARG HA H 51 5.005 4.927 0.078 1
1 565 . 2 1 1 A 51 51 ARG C C 51 174.656 174.546 0.110 1
1 566 . 2 1 1 A 51 51 ARG CA C 51 55.605 55.444 0.161 1
1 567 . 2 1 1 A 51 51 ARG CB C 51 33.520 34.199 -0.679 1
1 570 . 2 1 1 A 51 51 ARG N N 51 117.888 121.810 -3.922 1
1 572 . 2 1 1 A 52 52 VAL H H 52 9.155 9.272 -0.117 1
1 573 . 2 1 1 A 52 52 VAL HA H 52 4.616 5.008 -0.392 1
1 581 . 2 1 1 A 52 52 VAL C C 52 174.710 175.218 -0.508 1
1 582 . 2 1 1 A 52 52 VAL CA C 52 59.382 60.020 -0.638 1
1 583 . 2 1 1 A 52 52 VAL CB C 52 35.266 34.420 0.846 1
1 586 . 2 1 1 A 52 52 VAL N N 52 121.629 121.255 0.374 1
1 587 . 2 1 1 A 53 53 VAL H H 53 8.956 8.960 -0.004 1
1 588 . 2 1 1 A 53 53 VAL HA H 53 3.745 4.272 -0.527 1
1 596 . 2 1 1 A 53 53 VAL C C 53 174.610 175.655 -1.045 1
1 597 . 2 1 1 A 53 53 VAL CA C 53 64.676 62.638 2.038 1
1 598 . 2 1 1 A 53 53 VAL CB C 53 32.305 32.372 -0.067 1
1 601 . 2 1 1 A 53 53 VAL N N 53 125.547 122.424 3.123 1
1 602 . 2 1 1 A 54 54 ILE H H 54 8.705 9.013 -0.308 1
1 603 . 2 1 1 A 54 54 ILE HA H 54 4.324 4.279 0.045 1
1 613 . 2 1 1 A 54 54 ILE C C 54 176.747 176.354 0.393 1
1 614 . 2 1 1 A 54 54 ILE CA C 54 58.623 62.850 -4.227 1
1 615 . 2 1 1 A 54 54 ILE CB C 54 36.787 39.478 -2.691 1
1 619 . 2 1 1 A 54 54 ILE N N 54 126.147 126.536 -0.389 1
1 620 . 2 1 1 A 55 55 HIS H H 55 7.913 7.631 0.282 1
1 621 . 2 1 1 A 55 55 HIS HA H 55 4.626 4.302 0.324 1
1 626 . 2 1 1 A 55 55 HIS C C 55 174.365 175.713 -1.348 1
1 627 . 2 1 1 A 55 55 HIS CA C 55 57.917 57.099 0.818 1
1 628 . 2 1 1 A 55 55 HIS CB C 55 29.796 29.638 0.158 1
1 631 . 2 1 1 A 55 55 HIS N N 55 119.790 122.977 -3.187 1
1 632 . 2 1 1 A 56 56 PHE H H 56 9.382 8.532 0.850 1
1 633 . 2 1 1 A 56 56 PHE HA H 56 4.225 4.240 -0.015 1
1 641 . 2 1 1 A 56 56 PHE C C 56 175.781 175.116 0.665 1
1 642 . 2 1 1 A 56 56 PHE CA C 56 57.593 58.341 -0.748 1
1 643 . 2 1 1 A 56 56 PHE CB C 56 36.664 35.984 0.680 1
1 649 . 2 1 1 A 56 56 PHE N N 56 124.614 122.873 1.741 1
1 650 . 2 1 1 A 57 57 ASN H H 57 8.755 7.827 0.928 1
1 651 . 2 1 1 A 57 57 ASN HA H 57 5.319 4.994 0.325 1
1 656 . 2 1 1 A 57 57 ASN C C 57 175.317 175.106 0.211 1
1 657 . 2 1 1 A 57 57 ASN CA C 57 52.129 52.821 -0.692 1
1 658 . 2 1 1 A 57 57 ASN CB C 57 41.640 40.602 1.038 1
1 659 . 2 1 1 A 57 57 ASN N N 57 114.893 116.431 -1.538 1
1 661 . 2 1 1 A 58 58 VAL H H 58 8.606 7.204 1.402 1
1 662 . 2 1 1 A 58 58 VAL HA H 58 4.138 4.539 -0.401 1
1 670 . 2 1 1 A 58 58 VAL C C 58 175.486 176.096 -0.610 1
1 671 . 2 1 1 A 58 58 VAL CA C 58 63.035 62.398 0.637 1
1 672 . 2 1 1 A 58 58 VAL CB C 58 32.733 31.023 1.710 1
1 675 . 2 1 1 A 58 58 VAL N N 58 121.476 120.337 1.139 1
1 676 . 2 1 1 A 59 59 ARG H H 59 9.233 8.593 0.640 1
1 677 . 2 1 1 A 59 59 ARG HA H 59 4.184 4.150 0.034 1
1 684 . 2 1 1 A 59 59 ARG C C 59 175.572 175.430 0.142 1
1 685 . 2 1 1 A 59 59 ARG CA C 59 58.093 57.740 0.353 1
1 686 . 2 1 1 A 59 59 ARG CB C 59 31.236 31.134 0.102 1
1 689 . 2 1 1 A 59 59 ARG N N 59 128.965 129.798 -0.833 1
1 690 . 2 1 1 A 60 60 ASP H H 60 7.745 7.815 -0.070 1
1 691 . 2 1 1 A 60 60 ASP HA H 60 4.485 5.125 -0.640 1
1 694 . 2 1 1 A 60 60 ASP C C 60 173.047 174.210 -1.163 1
1 695 . 2 1 1 A 60 60 ASP CA C 60 53.911 53.244 0.667 1
1 696 . 2 1 1 A 60 60 ASP CB C 60 42.874 44.915 -2.041 1
1 697 . 2 1 1 A 60 60 ASP N N 60 113.170 116.290 -3.120 1
1 698 . 2 1 1 A 61 61 ILE H H 61 8.398 8.574 -0.176 1
1 699 . 2 1 1 A 61 61 ILE HA H 61 5.055 4.953 0.102 1
1 709 . 2 1 1 A 61 61 ILE C C 61 174.897 174.391 0.506 1
1 710 . 2 1 1 A 61 61 ILE CA C 61 60.511 60.626 -0.115 1
1 711 . 2 1 1 A 61 61 ILE CB C 61 41.558 40.797 0.761 1
1 715 . 2 1 1 A 61 61 ILE N N 61 118.375 121.077 -2.702 1
1 716 . 2 1 1 A 62 62 LYS H H 62 8.619 8.879 -0.260 1
1 717 . 2 1 1 A 62 62 LYS HA H 62 4.711 5.031 -0.320 1
1 726 . 2 1 1 A 62 62 LYS C C 62 174.636 175.598 -0.962 1
1 727 . 2 1 1 A 62 62 LYS CA C 62 53.947 55.060 -1.113 1
1 728 . 2 1 1 A 62 62 LYS CB C 62 35.677 35.223 0.454 1
1 732 . 2 1 1 A 62 62 LYS N N 62 128.701 126.894 1.807 1
1 733 . 2 1 1 A 63 63 VAL H H 63 8.946 8.748 0.198 1
1 734 . 2 1 1 A 63 63 VAL HA H 63 5.073 4.702 0.371 1
1 742 . 2 1 1 A 63 63 VAL C C 63 177.772 176.302 1.470 1
1 743 . 2 1 1 A 63 63 VAL CA C 63 59.734 60.948 -1.214 1
1 744 . 2 1 1 A 63 63 VAL CB C 63 36.210 34.815 1.395 1
1 747 . 2 1 1 A 63 63 VAL N N 63 120.053 123.122 -3.069 1
1 748 . 2 1 1 A 64 64 GLY H H 64 9.804 8.906 0.898 1
1 749 . 2 1 1 A 64 64 GLY HA2 H 64 4.415 3.946 0.469 1
1 750 . 2 1 1 A 64 64 GLY HA3 H 64 3.906 3.948 -0.042 1
1 751 . 2 1 1 A 64 64 GLY C C 64 176.864 175.857 1.007 1
1 752 . 2 1 1 A 64 64 GLY CA C 64 47.063 46.988 0.075 1
1 753 . 2 1 1 A 64 64 GLY N N 64 118.354 113.671 4.683 1
1 754 . 2 1 1 A 65 65 GLN H H 65 9.045 8.818 0.227 1
1 755 . 2 1 1 A 65 65 GLN HA H 65 3.944 3.942 0.002 1
1 762 . 2 1 1 A 65 65 GLN C C 65 176.698 178.415 -1.717 1
1 763 . 2 1 1 A 65 65 GLN CA C 65 57.793 59.195 -1.402 1
1 764 . 2 1 1 A 65 65 GLN CB C 65 27.822 28.411 -0.589 1
1 766 . 2 1 1 A 65 65 GLN N N 65 124.600 125.351 -0.751 1
1 768 . 2 1 1 A 66 66 GLU H H 66 7.886 7.815 0.071 1
1 769 . 2 1 1 A 66 66 GLU HA H 66 4.145 4.050 0.095 1
1 774 . 2 1 1 A 66 66 GLU C C 66 178.049 177.604 0.445 1
1 775 . 2 1 1 A 66 66 GLU CA C 66 57.564 59.559 -1.995 1
1 776 . 2 1 1 A 66 66 GLU CB C 66 31.236 29.351 1.885 1
1 778 . 2 1 1 A 66 66 GLU N N 66 116.486 119.343 -2.857 1
1 779 . 2 1 1 A 67 67 CYS H H 67 8.015 7.923 0.092 1
1 780 . 2 1 1 A 67 67 CYS HA H 67 4.331 4.462 -0.131 1
1 783 . 2 1 1 A 67 67 CYS C C 67 175.278 174.215 1.063 1
1 784 . 2 1 1 A 67 67 CYS CA C 67 58.817 58.814 0.003 1
1 785 . 2 1 1 A 67 67 CYS CB C 67 26.342 28.059 -1.717 1
1 786 . 2 1 1 A 67 67 CYS N N 67 119.526 118.310 1.216 1
1 787 . 2 1 1 A 68 68 GLN H H 68 7.983 8.970 -0.987 1
1 788 . 2 1 1 A 68 68 GLN HA H 68 4.199 4.515 -0.316 1
1 795 . 2 1 1 A 68 68 GLN C C 68 175.866 177.324 -1.458 1
1 796 . 2 1 1 A 68 68 GLN CA C 68 56.399 57.351 -0.952 1
1 797 . 2 1 1 A 68 68 GLN CB C 68 29.837 30.566 -0.729 1
1 799 . 2 1 1 A 68 68 GLN N N 68 120.826 126.369 -5.543 1
1 801 . 2 1 1 A 69 69 ASP H H 69 8.755 8.605 0.150 1
1 802 . 2 1 1 A 69 69 ASP HA H 69 4.395 4.343 0.052 1
1 805 . 2 1 1 A 69 69 ASP C C 69 174.652 177.244 -2.592 1
1 806 . 2 1 1 A 69 69 ASP CA C 69 54.546 57.603 -3.057 1
1 807 . 2 1 1 A 69 69 ASP CB C 69 39.954 40.296 -0.342 1
1 808 . 2 1 1 A 69 69 ASP N N 69 117.691 119.875 -2.184 1
1 809 . 2 1 1 A 70 70 VAL H H 70 7.245 7.584 -0.339 1
1 810 . 2 1 1 A 70 70 VAL HA H 70 4.173 4.086 0.087 1
1 818 . 2 1 1 A 70 70 VAL C C 70 173.502 175.280 -1.778 1
1 819 . 2 1 1 A 70 70 VAL CA C 70 60.502 62.372 -1.870 1
1 820 . 2 1 1 A 70 70 VAL CB C 70 34.397 32.565 1.832 1
1 823 . 2 1 1 A 70 70 VAL N N 70 116.632 118.954 -2.322 1
1 824 . 2 1 1 A 71 71 GLN H H 71 8.513 8.812 -0.299 1
1 825 . 2 1 1 A 71 71 GLN HA H 71 4.758 4.781 -0.023 1
1 832 . 2 1 1 A 71 71 GLN C C 71 173.404 173.614 -0.210 1
1 833 . 2 1 1 A 71 71 GLN CA C 71 52.093 52.224 -0.131 1
1 834 . 2 1 1 A 71 71 GLN CB C 71 29.467 30.434 -0.967 1
1 836 . 2 1 1 A 71 71 GLN N N 71 125.361 127.237 -1.876 1
1 838 . 2 1 1 A 72 72 PRO HA H 72 3.955 4.205 -0.250 1
1 845 . 2 1 1 A 72 72 PRO CA C 72 61.219 61.428 -0.209 1
1 846 . 2 1 1 A 72 72 PRO CB C 72 30.548 31.409 -0.861 1
1 849 . 2 1 1 A 73 73 PRO HA H 73 3.584 4.473 -0.889 1
1 856 . 2 1 1 A 73 73 PRO C C 73 175.005 175.809 -0.804 1
1 857 . 2 1 1 A 73 73 PRO CA C 73 61.764 61.988 -0.224 1
1 858 . 2 1 1 A 73 73 PRO CB C 73 30.080 32.775 -2.695 1
1 861 . 2 1 1 A 74 74 GLU H H 74 8.066 8.490 -0.424 1
1 862 . 2 1 1 A 74 74 GLU HA H 74 3.766 3.955 -0.189 1
1 867 . 2 1 1 A 74 74 GLU C C 74 177.415 177.128 0.287 1
1 868 . 2 1 1 A 74 74 GLU CA C 74 58.005 58.037 -0.032 1
1 869 . 2 1 1 A 74 74 GLU CB C 74 29.340 29.634 -0.294 1
1 871 . 2 1 1 A 74 74 GLU N N 74 120.425 121.756 -1.331 1
1 872 . 2 1 1 A 75 75 GLY H H 75 8.576 8.904 -0.328 1
1 873 . 2 1 1 A 75 75 GLY HA2 H 75 4.024 3.908 0.116 1
1 874 . 2 1 1 A 75 75 GLY HA3 H 75 3.568 3.937 -0.369 1
1 875 . 2 1 1 A 75 75 GLY C C 75 174.093 174.706 -0.613 1
1 876 . 2 1 1 A 75 75 GLY CA C 75 45.299 44.968 0.331 1
1 877 . 2 1 1 A 75 75 GLY N N 75 112.779 114.782 -2.003 1
1 878 . 2 1 1 A 76 76 ARG H H 76 7.791 7.676 0.115 1
1 879 . 2 1 1 A 76 76 ARG HA H 76 4.444 4.270 0.174 1
1 887 . 2 1 1 A 76 76 ARG C C 76 175.188 174.818 0.370 1
1 888 . 2 1 1 A 76 76 ARG CA C 76 54.617 55.697 -1.080 1
1 889 . 2 1 1 A 76 76 ARG CB C 76 31.030 32.185 -1.155 1
1 892 . 2 1 1 A 76 76 ARG N N 76 121.088 121.056 0.032 1
1 894 . 2 1 1 A 77 77 SER H H 77 8.235 8.561 -0.326 1
1 895 . 2 1 1 A 77 77 SER HA H 77 4.405 4.870 -0.465 1
1 898 . 2 1 1 A 77 77 SER C C 77 176.069 174.157 1.912 1
1 899 . 2 1 1 A 77 77 SER CA C 77 56.805 57.316 -0.511 1
1 900 . 2 1 1 A 77 77 SER CB C 77 64.136 66.364 -2.228 1
1 901 . 2 1 1 A 77 77 SER N N 77 113.991 116.566 -2.575 1
1 902 . 2 1 1 A 78 78 ARG H H 78 8.745 9.086 -0.341 1
1 903 . 2 1 1 A 78 78 ARG HA H 78 3.774 3.874 -0.100 1
1 909 . 2 1 1 A 78 78 ARG C C 78 176.758 177.688 -0.930 1
1 910 . 2 1 1 A 78 78 ARG CA C 78 58.341 60.063 -1.722 1
1 911 . 2 1 1 A 78 78 ARG CB C 78 30.043 30.279 -0.236 1
1 914 . 2 1 1 A 78 78 ARG N N 78 122.262 125.055 -2.793 1
1 915 . 2 1 1 A 79 79 ASP H H 79 8.106 8.364 -0.258 1
1 916 . 2 1 1 A 79 79 ASP HA H 79 4.175 4.356 -0.181 1
1 919 . 2 1 1 A 79 79 ASP C C 79 175.579 179.764 -4.185 1
1 920 . 2 1 1 A 79 79 ASP CA C 79 57.159 56.889 0.270 1
1 921 . 2 1 1 A 79 79 ASP CB C 79 40.900 40.286 0.614 1
1 922 . 2 1 1 A 79 79 ASP N N 79 115.963 119.916 -3.953 1
1 923 . 2 1 1 A 80 80 GLY H H 80 7.305 7.913 -0.608 1
1 924 . 2 1 1 A 80 80 GLY HA2 H 80 4.047 3.667 0.380 1
1 925 . 2 1 1 A 80 80 GLY HA3 H 80 3.387 3.696 -0.309 1
1 926 . 2 1 1 A 80 80 GLY C C 80 174.263 175.149 -0.886 1
1 927 . 2 1 1 A 80 80 GLY CA C 80 44.276 47.262 -2.986 1
1 928 . 2 1 1 A 80 80 GLY N N 80 101.592 107.571 -5.979 1
1 929 . 2 1 1 A 81 81 LEU H H 81 7.307 7.656 -0.349 1
1 930 . 2 1 1 A 81 81 LEU HA H 81 4.494 4.192 0.302 1
1 940 . 2 1 1 A 81 81 LEU C C 81 176.212 176.472 -0.260 1
1 941 . 2 1 1 A 81 81 LEU CA C 81 56.346 55.971 0.375 1
1 942 . 2 1 1 A 81 81 LEU CB C 81 44.025 42.389 1.636 1
1 946 . 2 1 1 A 81 81 LEU N N 81 121.062 121.888 -0.826 1
1 947 . 2 1 1 A 82 82 LEU H H 82 8.286 8.541 -0.255 1
1 948 . 2 1 1 A 82 82 LEU HA H 82 5.260 5.084 0.176 1
1 958 . 2 1 1 A 82 82 LEU C C 82 175.122 174.427 0.695 1
1 959 . 2 1 1 A 82 82 LEU CA C 82 55.334 54.757 0.577 1
1 960 . 2 1 1 A 82 82 LEU CB C 82 46.064 45.468 0.596 1
1 964 . 2 1 1 A 82 82 LEU N N 82 118.524 123.506 -4.982 1
1 965 . 2 1 1 A 83 83 THR H H 83 9.095 9.023 0.072 1
1 966 . 2 1 1 A 83 83 THR HA H 83 5.305 5.301 0.004 1
1 971 . 2 1 1 A 83 83 THR C C 83 173.754 173.642 0.112 1
1 972 . 2 1 1 A 83 83 THR CA C 83 61.076 62.185 -1.109 1
1 973 . 2 1 1 A 83 83 THR CB C 83 71.268 69.604 1.664 1
1 975 . 2 1 1 A 83 83 THR N N 83 120.894 123.224 -2.330 1
1 976 . 2 1 1 A 84 84 VAL H H 84 9.175 8.984 0.191 1
1 977 . 2 1 1 A 84 84 VAL HA H 84 4.205 4.473 -0.268 1
1 985 . 2 1 1 A 84 84 VAL C C 84 173.741 174.985 -1.244 1
1 986 . 2 1 1 A 84 84 VAL CA C 84 61.182 61.334 -0.152 1
1 987 . 2 1 1 A 84 84 VAL CB C 84 32.921 32.767 0.154 1
1 990 . 2 1 1 A 84 84 VAL N N 84 127.342 128.450 -1.108 1
1 991 . 2 1 1 A 85 85 ASN H H 85 8.597 9.075 -0.478 1
1 992 . 2 1 1 A 85 85 ASN HA H 85 4.960 5.104 -0.144 1
1 997 . 2 1 1 A 85 85 ASN C C 85 174.440 174.578 -0.138 1
1 998 . 2 1 1 A 85 85 ASN CA C 85 52.870 53.448 -0.578 1
1 999 . 2 1 1 A 85 85 ASN CB C 85 39.214 40.093 -0.879 1
1 1000 . 2 1 1 A 85 85 ASN N N 85 125.999 126.216 -0.217 1
1 1002 . 2 1 1 A 86 86 LEU H H 86 8.283 8.582 -0.299 1
1 1003 . 2 1 1 A 86 86 LEU HA H 86 5.176 5.176 0.000 1
1 1013 . 2 1 1 A 86 86 LEU C C 86 178.644 177.296 1.348 1
1 1014 . 2 1 1 A 86 86 LEU CA C 86 53.700 53.106 0.594 1
1 1015 . 2 1 1 A 86 86 LEU CB C 86 42.298 44.622 -2.324 1
1 1019 . 2 1 1 A 86 86 LEU N N 86 125.763 123.847 1.916 1
1 1020 . 2 1 1 A 87 87 ARG H H 87 8.655 9.148 -0.493 1
1 1021 . 2 1 1 A 87 87 ARG HA H 87 3.905 3.920 -0.015 1
1 1028 . 2 1 1 A 87 87 ARG C C 87 177.223 178.010 -0.787 1
1 1029 . 2 1 1 A 87 87 ARG CA C 87 59.717 60.254 -0.537 1
1 1030 . 2 1 1 A 87 87 ARG CB C 87 29.280 30.080 -0.800 1
1 1033 . 2 1 1 A 87 87 ARG N N 87 123.105 122.991 0.114 1
1 1034 . 2 1 1 A 88 88 GLU H H 88 8.525 7.966 0.559 1
1 1035 . 2 1 1 A 88 88 GLU HA H 88 4.515 4.190 0.325 1
1 1040 . 2 1 1 A 88 88 GLU C C 88 175.762 177.118 -1.356 1
1 1041 . 2 1 1 A 88 88 GLU CA C 88 55.852 56.941 -1.089 1
1 1042 . 2 1 1 A 88 88 GLU CB C 88 30.249 30.393 -0.144 1
1 1044 . 2 1 1 A 88 88 GLU N N 88 117.722 116.187 1.535 1
1 1045 . 2 1 1 A 89 89 GLY H H 89 8.063 8.352 -0.289 1
1 1046 . 2 1 1 A 89 89 GLY HA2 H 89 3.735 3.963 -0.228 1
1 1047 . 2 1 1 A 89 89 GLY HA3 H 89 4.536 3.966 0.570 1
1 1048 . 2 1 1 A 89 89 GLY C C 89 173.864 173.831 0.033 1
1 1049 . 2 1 1 A 89 89 GLY CA C 89 44.222 45.638 -1.416 1
1 1050 . 2 1 1 A 89 89 GLY N N 89 110.616 109.822 0.794 1
1 1051 . 2 1 1 A 90 90 SER H H 90 8.094 7.747 0.347 1
1 1052 . 2 1 1 A 90 90 SER HA H 90 4.484 4.906 -0.422 1
1 1055 . 2 1 1 A 90 90 SER C C 90 172.813 173.900 -1.087 1
1 1056 . 2 1 1 A 90 90 SER CA C 90 58.552 57.561 0.991 1
1 1057 . 2 1 1 A 90 90 SER CB C 90 63.915 65.397 -1.482 1
1 1058 . 2 1 1 A 90 90 SER N N 90 116.620 114.856 1.764 1
1 1059 . 2 1 1 A 91 91 ARG H H 91 8.285 8.408 -0.123 1
1 1060 . 2 1 1 A 91 91 ARG HA H 91 4.725 4.664 0.061 1
1 1067 . 2 1 1 A 91 91 ARG C C 91 175.511 175.645 -0.134 1
1 1068 . 2 1 1 A 91 91 ARG CA C 91 55.870 55.636 0.234 1
1 1069 . 2 1 1 A 91 91 ARG CB C 91 32.058 30.775 1.283 1
1 1072 . 2 1 1 A 91 91 ARG N N 91 121.045 125.784 -4.739 1
1 1073 . 2 1 1 A 92 92 LEU H H 92 8.485 8.833 -0.348 1
1 1074 . 2 1 1 A 92 92 LEU HA H 92 4.555 4.742 -0.187 1
1 1084 . 2 1 1 A 92 92 LEU C C 92 174.815 175.881 -1.066 1
1 1085 . 2 1 1 A 92 92 LEU CA C 92 53.629 53.499 0.130 1
1 1086 . 2 1 1 A 92 92 LEU CB C 92 44.066 43.867 0.199 1
1 1090 . 2 1 1 A 92 92 LEU N N 92 123.633 120.773 2.860 1
1 1091 . 2 1 1 A 93 93 HIS H H 93 8.871 8.747 0.124 1
1 1092 . 2 1 1 A 93 93 HIS HA H 93 5.135 4.859 0.276 1
1 1097 . 2 1 1 A 93 93 HIS C C 93 173.251 175.646 -2.395 1
1 1098 . 2 1 1 A 93 93 HIS CA C 93 56.135 56.110 0.025 1
1 1099 . 2 1 1 A 93 93 HIS CB C 93 30.701 30.439 0.262 1
1 1101 . 2 1 1 A 93 93 HIS N N 93 124.492 123.635 0.857 1
1 1102 . 2 1 1 A 94 94 LEU H H 94 9.105 9.024 0.081 1
1 1103 . 2 1 1 A 94 94 LEU HA H 94 5.940 5.491 0.449 1
1 1113 . 2 1 1 A 94 94 LEU C C 94 177.396 175.656 1.740 1
1 1114 . 2 1 1 A 94 94 LEU CA C 94 52.552 53.693 -1.141 1
1 1115 . 2 1 1 A 94 94 LEU CB C 94 45.465 46.551 -1.086 1
1 1119 . 2 1 1 A 94 94 LEU N N 94 122.911 124.573 -1.662 1
1 1120 . 2 1 1 A 95 95 CYS H H 95 8.953 8.376 0.577 1
1 1121 . 2 1 1 A 95 95 CYS HA H 95 4.863 4.993 -0.130 1
1 1124 . 2 1 1 A 95 95 CYS C C 95 172.585 173.623 -1.038 1
1 1125 . 2 1 1 A 95 95 CYS CA C 95 59.964 58.342 1.622 1
1 1126 . 2 1 1 A 95 95 CYS CB C 95 29.220 30.450 -1.230 1
1 1127 . 2 1 1 A 95 95 CYS N N 95 118.920 118.709 0.211 1
1 1128 . 2 1 1 A 96 96 ALA H H 96 9.465 8.763 0.702 1
1 1129 . 2 1 1 A 96 96 ALA HA H 96 5.035 4.641 0.394 1
1 1133 . 2 1 1 A 96 96 ALA C C 96 177.396 178.322 -0.926 1
1 1134 . 2 1 1 A 96 96 ALA CA C 96 50.205 51.682 -1.477 1
1 1135 . 2 1 1 A 96 96 ALA CB C 96 21.571 19.925 1.646 1
1 1136 . 2 1 1 A 96 96 ALA N N 96 132.924 129.456 3.468 1
1 1137 . 2 1 1 A 97 97 GLU H H 97 9.636 8.673 0.963 1
1 1138 . 2 1 1 A 97 97 GLU HA H 97 4.344 4.150 0.194 1
1 1143 . 2 1 1 A 97 97 GLU C C 97 176.882 176.764 0.118 1
1 1144 . 2 1 1 A 97 97 GLU CA C 97 58.040 60.108 -2.068 1
1 1145 . 2 1 1 A 97 97 GLU CB C 97 30.207 29.952 0.255 1
1 1147 . 2 1 1 A 97 97 GLU N N 97 116.636 121.376 -4.740 1
1 1148 . 2 1 1 A 98 98 THR H H 98 7.155 7.842 -0.687 1
1 1149 . 2 1 1 A 98 98 THR HA H 98 4.684 4.690 -0.006 1
1 1154 . 2 1 1 A 98 98 THR C C 98 174.259 175.409 -1.150 1
1 1155 . 2 1 1 A 98 98 THR CA C 98 58.323 59.482 -1.159 1
1 1156 . 2 1 1 A 98 98 THR CB C 98 73.529 71.912 1.617 1
1 1158 . 2 1 1 A 98 98 THR N N 98 102.167 111.919 -9.752 1
1 1159 . 2 1 1 A 99 99 ARG H H 99 9.025 9.037 -0.012 1
1 1160 . 2 1 1 A 99 99 ARG HA H 99 4.056 4.070 -0.014 1
1 1167 . 2 1 1 A 99 99 ARG C C 99 177.995 178.263 -0.268 1
1 1168 . 2 1 1 A 99 99 ARG CA C 99 59.029 59.018 0.011 1
1 1169 . 2 1 1 A 99 99 ARG CB C 99 30.208 29.831 0.377 1
1 1172 . 2 1 1 A 99 99 ARG N N 99 122.747 120.232 2.515 1
1 1173 . 2 1 1 A 100 100 ASP H H 100 8.387 8.110 0.277 1
1 1174 . 2 1 1 A 100 100 ASP HA H 100 4.306 4.352 -0.046 1
1 1177 . 2 1 1 A 100 100 ASP C C 100 179.110 178.440 0.670 1
1 1178 . 2 1 1 A 100 100 ASP CA C 100 57.475 57.142 0.333 1
1 1179 . 2 1 1 A 100 100 ASP CB C 100 40.201 40.659 -0.458 1
1 1180 . 2 1 1 A 100 100 ASP N N 100 116.422 119.826 -3.404 1
1 1181 . 2 1 1 A 101 101 ASP H H 101 8.046 7.712 0.334 1
1 1182 . 2 1 1 A 101 101 ASP HA H 101 4.576 4.297 0.279 1
1 1185 . 2 1 1 A 101 101 ASP C C 101 177.751 178.729 -0.978 1
1 1186 . 2 1 1 A 101 101 ASP CA C 101 57.229 57.412 -0.183 1
1 1187 . 2 1 1 A 101 101 ASP CB C 101 42.093 40.211 1.882 1
1 1188 . 2 1 1 A 101 101 ASP N N 101 120.742 120.454 0.288 1
1 1189 . 2 1 1 A 102 102 ALA H H 102 7.674 7.395 0.279 1
1 1190 . 2 1 1 A 102 102 ALA HA H 102 4.084 4.189 -0.105 1
1 1194 . 2 1 1 A 102 102 ALA C C 102 179.609 179.793 -0.184 1
1 1195 . 2 1 1 A 102 102 ALA CA C 102 56.364 55.217 1.147 1
1 1196 . 2 1 1 A 102 102 ALA CB C 102 17.952 18.599 -0.647 1
1 1197 . 2 1 1 A 102 102 ALA N N 102 122.523 121.852 0.671 1
1 1198 . 2 1 1 A 103 103 ILE H H 103 8.499 8.000 0.499 1
1 1199 . 2 1 1 A 103 103 ILE HA H 103 3.681 3.702 -0.021 1
1 1209 . 2 1 1 A 103 103 ILE C C 103 178.622 177.894 0.728 1
1 1210 . 2 1 1 A 103 103 ILE CA C 103 64.182 65.442 -1.260 1
1 1211 . 2 1 1 A 103 103 ILE CB C 103 37.240 37.674 -0.434 1
1 1215 . 2 1 1 A 103 103 ILE N N 103 117.417 117.947 -0.530 1
1 1216 . 2 1 1 A 104 104 ALA H H 104 8.174 8.608 -0.434 1
1 1217 . 2 1 1 A 104 104 ALA HA H 104 4.095 3.965 0.130 1
1 1221 . 2 1 1 A 104 104 ALA C C 104 181.998 180.072 1.926 1
1 1222 . 2 1 1 A 104 104 ALA CA C 104 55.517 55.225 0.292 1
1 1223 . 2 1 1 A 104 104 ALA CB C 104 17.294 18.448 -1.154 1
1 1224 . 2 1 1 A 104 104 ALA N N 104 124.916 122.430 2.486 1
1 1225 . 2 1 1 A 105 105 TRP H H 105 8.365 7.857 0.508 1
1 1226 . 2 1 1 A 105 105 TRP HA H 105 4.025 4.456 -0.431 1
1 1235 . 2 1 1 A 105 105 TRP C C 105 177.969 178.748 -0.779 1
1 1236 . 2 1 1 A 105 105 TRP CA C 105 62.011 59.906 2.105 1
1 1237 . 2 1 1 A 105 105 TRP CB C 105 29.179 28.852 0.327 1
1 1243 . 2 1 1 A 105 105 TRP N N 105 119.726 118.156 1.570 1
1 1245 . 2 1 1 A 106 106 LYS H H 106 8.746 8.019 0.727 1
1 1246 . 2 1 1 A 106 106 LYS HA H 106 3.805 4.097 -0.292 1
1 1255 . 2 1 1 A 106 106 LYS C C 106 177.626 179.039 -1.413 1
1 1256 . 2 1 1 A 106 106 LYS CA C 106 60.865 59.649 1.216 1
1 1257 . 2 1 1 A 106 106 LYS CB C 106 31.606 31.946 -0.340 1
1 1261 . 2 1 1 A 106 106 LYS N N 106 120.565 120.197 0.368 1
1 1262 . 2 1 1 A 107 107 THR H H 107 8.714 8.097 0.617 1
1 1263 . 2 1 1 A 107 107 THR HA H 107 3.774 3.842 -0.068 1
1 1268 . 2 1 1 A 107 107 THR C C 107 176.238 176.221 0.017 1
1 1269 . 2 1 1 A 107 107 THR CA C 107 66.688 66.710 -0.022 1
1 1270 . 2 1 1 A 107 107 THR CB C 107 69.065 68.611 0.454 1
1 1272 . 2 1 1 A 107 107 THR N N 107 115.018 116.994 -1.976 1
1 1273 . 2 1 1 A 108 108 ALA H H 108 7.769 8.174 -0.405 1
1 1274 . 2 1 1 A 108 108 ALA HA H 108 4.094 4.047 0.047 1
1 1278 . 2 1 1 A 108 108 ALA C C 108 180.611 179.966 0.645 1
1 1279 . 2 1 1 A 108 108 ALA CA C 108 55.005 54.987 0.018 1
1 1280 . 2 1 1 A 108 108 ALA CB C 108 18.015 18.242 -0.227 1
1 1281 . 2 1 1 A 108 108 ALA N N 108 123.150 123.739 -0.589 1
1 1282 . 2 1 1 A 109 109 LEU H H 109 8.795 8.250 0.545 1
1 1283 . 2 1 1 A 109 109 LEU HA H 109 4.045 4.131 -0.086 1
1 1293 . 2 1 1 A 109 109 LEU C C 109 178.758 178.955 -0.197 1
1 1294 . 2 1 1 A 109 109 LEU CA C 109 58.093 57.834 0.259 1
1 1295 . 2 1 1 A 109 109 LEU CB C 109 42.298 42.288 0.010 1
1 1299 . 2 1 1 A 109 109 LEU N N 109 118.714 120.411 -1.697 1
1 1300 . 2 1 1 A 110 110 MET H H 110 8.582 8.597 -0.015 1
1 1301 . 2 1 1 A 110 110 MET HA H 110 4.404 3.985 0.419 1
1 1309 . 2 1 1 A 110 110 MET C C 110 180.290 178.864 1.426 1
1 1310 . 2 1 1 A 110 110 MET CA C 110 56.876 58.930 -2.054 1
1 1311 . 2 1 1 A 110 110 MET CB C 110 30.002 32.590 -2.588 1
1 1314 . 2 1 1 A 110 110 MET N N 110 117.122 116.336 0.786 1
1 1315 . 2 1 1 A 111 111 GLU H H 111 8.062 7.924 0.138 1
1 1316 . 2 1 1 A 111 111 GLU HA H 111 4.126 3.987 0.139 1
1 1321 . 2 1 1 A 111 111 GLU C C 111 179.237 178.750 0.487 1
1 1322 . 2 1 1 A 111 111 GLU CA C 111 59.435 59.032 0.403 1
1 1323 . 2 1 1 A 111 111 GLU CB C 111 29.015 29.555 -0.540 1
1 1325 . 2 1 1 A 111 111 GLU N N 111 121.532 118.967 2.565 1
1 1326 . 2 1 1 A 112 112 ALA H H 112 7.975 7.666 0.309 1
1 1327 . 2 1 1 A 112 112 ALA HA H 112 4.265 4.104 0.161 1
1 1331 . 2 1 1 A 112 112 ALA C C 112 179.608 179.351 0.257 1
1 1332 . 2 1 1 A 112 112 ALA CA C 112 54.158 54.906 -0.748 1
1 1333 . 2 1 1 A 112 112 ALA CB C 112 19.530 18.379 1.151 1
1 1334 . 2 1 1 A 112 112 ALA N N 112 121.838 122.483 -0.645 1
1 1335 . 2 1 1 A 113 113 ASN H H 113 8.115 8.625 -0.510 1
1 1336 . 2 1 1 A 113 113 ASN HA H 113 4.822 4.580 0.242 1
1 1341 . 2 1 1 A 113 113 ASN C C 113 176.296 175.833 0.463 1
1 1342 . 2 1 1 A 113 113 ASN CA C 113 56.311 56.118 0.193 1
1 1343 . 2 1 1 A 113 113 ASN CB C 113 40.283 38.928 1.355 1
1 1344 . 2 1 1 A 113 113 ASN N N 113 115.563 117.800 -2.237 1
1 1346 . 2 1 1 A 114 114 SER H H 114 7.365 8.046 -0.681 1
1 1347 . 2 1 1 A 114 114 SER HA H 114 4.545 3.489 1.056 1
1 1350 . 2 1 1 A 114 114 SER C C 114 174.126 172.301 1.825 1
1 1351 . 2 1 1 A 114 114 SER CA C 114 58.464 56.669 1.795 1
1 1352 . 2 1 1 A 114 114 SER CB C 114 64.400 63.794 0.606 1
1 1353 . 2 1 1 A 114 114 SER N N 114 108.652 112.768 -4.116 1
1 1354 . 2 1 1 A 115 115 THR H H 115 7.849 6.975 0.874 1
1 1355 . 2 1 1 A 115 115 THR HA H 115 4.599 4.899 -0.300 1
1 1360 . 2 1 1 A 115 115 THR C C 115 172.337 172.361 -0.024 1
1 1361 . 2 1 1 A 115 115 THR CA C 115 60.817 59.182 1.635 1
1 1362 . 2 1 1 A 115 115 THR CB C 115 70.016 71.684 -1.668 1
1 1364 . 2 1 1 A 115 115 THR N N 115 118.885 117.153 1.732 1
1 1365 . 2 1 1 A 116 116 PRO HA H 116 4.404 5.029 -0.625 1
1 1372 . 2 1 1 A 116 116 PRO CA C 116 63.007 62.559 0.448 1
1 1373 . 2 1 1 A 116 116 PRO CB C 116 32.346 33.422 -1.076 1
1 1376 . 2 1 1 A 117 117 ALA H H 117 8.429 8.498 -0.069 1
1 1377 . 2 1 1 A 117 117 ALA HA H 117 4.535 4.624 -0.089 1
1 1381 . 2 1 1 A 117 117 ALA CA C 117 50.359 49.028 1.331 1
1 1382 . 2 1 1 A 117 117 ALA CB C 117 18.069 19.985 -1.916 1
1 1383 . 2 1 1 A 117 117 ALA N N 117 125.693 123.653 2.040 1
1 1384 . 2 1 1 A 118 118 PRO HA H 118 4.377 4.427 -0.050 1
1 1391 . 2 1 1 A 118 118 PRO C C 118 176.656 175.743 0.913 1
1 1392 . 2 1 1 A 118 118 PRO CA C 118 63.105 64.139 -1.034 1
1 1393 . 2 1 1 A 118 118 PRO CB C 118 31.935 31.630 0.305 1
1 1396 . 2 1 1 A 119 119 ALA H H 119 8.430 7.468 0.962 1
1 1397 . 2 1 1 A 119 119 ALA HA H 119 4.255 4.688 -0.433 1
1 1401 . 2 1 1 A 119 119 ALA C C 119 178.416 175.816 2.600 1
1 1402 . 2 1 1 A 119 119 ALA CA C 119 52.744 51.694 1.050 1
1 1403 . 2 1 1 A 119 119 ALA CB C 119 19.186 21.990 -2.804 1
1 1404 . 2 1 1 A 119 119 ALA N N 119 124.565 118.139 6.426 1
1 1405 . 2 1 1 A 120 120 GLY H H 120 8.375 8.318 0.057 1
1 1406 . 2 1 1 A 120 120 GLY HA2 H 120 3.934 4.146 -0.212 1
1 1407 . 2 1 1 A 120 120 GLY HA3 H 120 3.934 4.146 -0.212 1
1 1408 . 2 1 1 A 120 120 GLY C C 120 173.810 172.292 1.518 1
1 1409 . 2 1 1 A 120 120 GLY CA C 120 45.176 44.693 0.483 1
1 1410 . 2 1 1 A 120 120 GLY N N 120 108.353 107.839 0.514 1
1 1411 . 2 1 1 A 121 121 ALA H H 121 8.116 8.145 -0.029 1
1 1412 . 2 1 1 A 121 121 ALA HA H 121 4.379 4.631 -0.252 1
1 1416 . 2 1 1 A 121 121 ALA C C 121 177.908 176.979 0.929 1
1 1417 . 2 1 1 A 121 121 ALA CA C 121 52.446 51.683 0.763 1
1 1418 . 2 1 1 A 121 121 ALA CB C 121 19.433 19.649 -0.216 1
1 1419 . 2 1 1 A 121 121 ALA N N 121 123.561 122.573 0.988 1
1 1420 . 2 1 1 A 122 122 THR H H 122 8.212 8.790 -0.578 1
1 1421 . 2 1 1 A 122 122 THR C C 122 174.317 173.628 0.689 1
1 1422 . 2 1 1 A 122 122 THR CA C 122 61.888 62.223 -0.335 1
1 1423 . 2 1 1 A 122 122 THR CB C 122 69.648 68.473 1.175 1
1 1425 . 2 1 1 A 122 122 THR N N 122 114.319 118.744 -4.425 1
1 1426 . 2 1 1 A 123 123 VAL H H 123 8.222 8.727 -0.505 1
1 1427 . 2 1 1 A 123 123 VAL HA H 123 4.455 4.630 -0.175 1
1 1435 . 2 1 1 A 123 123 VAL C C 123 174.373 173.732 0.641 1
1 1436 . 2 1 1 A 123 123 VAL CA C 123 59.717 59.214 0.503 1
1 1437 . 2 1 1 A 123 123 VAL CB C 123 32.593 33.033 -0.440 1
1 1440 . 2 1 1 A 123 123 VAL N N 123 124.311 127.318 -3.007 1
1 1441 . 2 1 1 A 124 124 PRO HA H 124 4.403 4.627 -0.224 1
1 1446 . 2 1 1 A 124 124 PRO C C 124 176.873 176.295 0.578 1
1 1447 . 2 1 1 A 124 124 PRO CA C 124 63.211 62.354 0.857 1
1 1448 . 2 1 1 A 124 124 PRO CB C 124 32.017 32.697 -0.680 1
1 1451 . 2 1 1 A 125 125 SER H H 125 8.426 8.458 -0.032 1
1 1452 . 2 1 1 A 125 125 SER HA H 125 4.448 4.576 -0.128 1
1 1455 . 2 1 1 A 125 125 SER C C 125 174.598 174.660 -0.062 1
1 1456 . 2 1 1 A 125 125 SER CA C 125 58.341 59.705 -1.364 1
1 1457 . 2 1 1 A 125 125 SER CB C 125 64.054 63.261 0.793 1
1 1458 . 2 1 1 A 125 125 SER N N 125 116.463 118.404 -1.941 1
1 1459 . 2 1 1 A 126 126 GLY H H 126 8.233 8.407 -0.174 1
1 1460 . 2 1 1 A 126 126 GLY C C 126 171.756 174.193 -2.437 1
1 1461 . 2 1 1 A 126 126 GLY CA C 126 44.611 44.526 0.085 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.445 4.852 -0.407 1
1 4 . 3 1 1 A 6 6 SER C C 6 174.707 173.120 1.587 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.482 58.157 0.325 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.848 65.085 -1.237 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.494 9.227 -0.733 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 4.105 4.015 0.090 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 4.105 4.038 0.067 1
1 10 . 3 1 1 A 7 7 GLY C C 7 172.961 173.090 -0.129 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.864 47.131 -1.267 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.325 115.541 -5.216 1
1 13 . 3 1 1 A 8 8 LEU H H 8 8.295 8.395 -0.100 1
1 14 . 3 1 1 A 8 8 LEU HA H 8 4.268 4.805 -0.537 1
1 24 . 3 1 1 A 8 8 LEU C C 8 176.773 175.669 1.104 1
1 25 . 3 1 1 A 8 8 LEU CA C 8 55.587 53.832 1.755 1
1 26 . 3 1 1 A 8 8 LEU CB C 8 43.367 44.494 -1.127 1
1 30 . 3 1 1 A 8 8 LEU N N 8 123.800 126.331 -2.531 1
1 31 . 3 1 1 A 9 9 VAL H H 9 9.290 8.869 0.421 1
1 32 . 3 1 1 A 9 9 VAL HA H 9 3.826 4.017 -0.191 1
1 40 . 3 1 1 A 9 9 VAL C C 9 176.540 175.776 0.764 1
1 41 . 3 1 1 A 9 9 VAL CA C 9 64.888 63.801 1.087 1
1 42 . 3 1 1 A 9 9 VAL CB C 9 32.264 32.407 -0.143 1
1 45 . 3 1 1 A 9 9 VAL N N 9 129.415 126.297 3.118 1
1 46 . 3 1 1 A 10 10 ARG H H 10 7.135 7.471 -0.336 1
1 47 . 3 1 1 A 10 10 ARG HA H 10 4.126 4.673 -0.547 1
1 55 . 3 1 1 A 10 10 ARG C C 10 171.942 175.152 -3.210 1
1 56 . 3 1 1 A 10 10 ARG CA C 10 55.800 55.002 0.798 1
1 57 . 3 1 1 A 10 10 ARG CB C 10 32.223 33.688 -1.465 1
1 60 . 3 1 1 A 10 10 ARG N N 10 117.246 117.868 -0.622 1
1 62 . 3 1 1 A 11 11 GLY H H 11 8.390 8.232 0.158 1
1 63 . 3 1 1 A 11 11 GLY HA2 H 11 3.204 3.757 -0.553 1
1 64 . 3 1 1 A 11 11 GLY HA3 H 11 5.336 4.052 1.284 1
1 65 . 3 1 1 A 11 11 GLY C C 11 172.895 173.483 -0.588 1
1 66 . 3 1 1 A 11 11 GLY CA C 11 43.481 44.777 -1.296 1
1 67 . 3 1 1 A 11 11 GLY N N 11 113.527 110.626 2.901 1
1 68 . 3 1 1 A 12 12 GLY H H 12 7.935 8.658 -0.723 1
1 69 . 3 1 1 A 12 12 GLY C C 12 171.502 172.955 -1.453 1
1 70 . 3 1 1 A 12 12 GLY CA C 12 46.093 45.154 0.939 1
1 71 . 3 1 1 A 13 13 TRP H H 13 8.904 8.582 0.322 1
1 72 . 3 1 1 A 13 13 TRP HA H 13 5.205 5.682 -0.477 1
1 81 . 3 1 1 A 13 13 TRP C C 13 177.926 175.553 2.373 1
1 82 . 3 1 1 A 13 13 TRP CA C 13 57.846 56.116 1.730 1
1 83 . 3 1 1 A 13 13 TRP CB C 13 30.290 32.477 -2.187 1
1 89 . 3 1 1 A 13 13 TRP N N 13 121.758 121.362 0.396 1
1 91 . 3 1 1 A 14 14 LEU H H 14 9.295 8.917 0.378 1
1 92 . 3 1 1 A 14 14 LEU HA H 14 4.683 4.782 -0.099 1
1 102 . 3 1 1 A 14 14 LEU C C 14 175.828 176.040 -0.212 1
1 103 . 3 1 1 A 14 14 LEU CA C 14 54.670 53.763 0.907 1
1 104 . 3 1 1 A 14 14 LEU CB C 14 47.562 45.809 1.753 1
1 108 . 3 1 1 A 14 14 LEU N N 14 123.447 121.639 1.808 1
1 109 . 3 1 1 A 15 15 TRP H H 15 8.655 8.661 -0.006 1
1 110 . 3 1 1 A 15 15 TRP HA H 15 5.315 5.239 0.076 1
1 119 . 3 1 1 A 15 15 TRP C C 15 175.899 175.887 0.012 1
1 120 . 3 1 1 A 15 15 TRP CA C 15 57.159 57.513 -0.354 1
1 121 . 3 1 1 A 15 15 TRP CB C 15 30.759 30.253 0.506 1
1 127 . 3 1 1 A 15 15 TRP N N 15 119.571 124.403 -4.832 1
1 129 . 3 1 1 A 16 16 ARG H H 16 10.145 9.647 0.498 1
1 130 . 3 1 1 A 16 16 ARG HA H 16 5.495 5.311 0.184 1
1 138 . 3 1 1 A 16 16 ARG C C 16 174.930 174.558 0.372 1
1 139 . 3 1 1 A 16 16 ARG CA C 16 54.334 54.424 -0.090 1
1 140 . 3 1 1 A 16 16 ARG CB C 16 34.808 33.274 1.534 1
1 143 . 3 1 1 A 16 16 ARG N N 16 121.997 125.747 -3.750 1
1 145 . 3 1 1 A 17 17 GLN H H 17 8.233 8.767 -0.534 1
1 146 . 3 1 1 A 17 17 GLN HA H 17 3.797 5.045 -1.248 1
1 153 . 3 1 1 A 17 17 GLN C C 17 175.654 173.881 1.773 1
1 154 . 3 1 1 A 17 17 GLN CA C 17 55.446 53.738 1.708 1
1 155 . 3 1 1 A 17 17 GLN CB C 17 29.056 31.607 -2.551 1
1 157 . 3 1 1 A 17 17 GLN N N 17 128.414 126.298 2.116 1
1 159 . 3 1 1 A 18 18 SER H H 18 8.635 8.442 0.193 1
1 160 . 3 1 1 A 18 18 SER HA H 18 4.575 4.635 -0.060 1
1 163 . 3 1 1 A 18 18 SER C C 18 175.585 174.140 1.445 1
1 164 . 3 1 1 A 18 18 SER CA C 18 57.246 55.611 1.635 1
1 165 . 3 1 1 A 18 18 SER CB C 18 64.012 65.594 -1.582 1
1 166 . 3 1 1 A 18 18 SER N N 18 122.600 119.637 2.963 1
1 167 . 3 1 1 A 20 20 ILE H H 20 7.976 7.733 0.243 1
1 168 . 3 1 1 A 20 20 ILE HA H 20 4.036 3.865 0.171 1
1 178 . 3 1 1 A 20 20 ILE C C 20 176.929 177.804 -0.875 1
1 179 . 3 1 1 A 20 20 ILE CA C 20 62.929 63.810 -0.881 1
1 180 . 3 1 1 A 20 20 ILE CB C 20 37.912 37.911 0.001 1
1 184 . 3 1 1 A 20 20 ILE N N 20 120.700 119.526 1.174 1
1 185 . 3 1 1 A 21 21 LEU H H 21 8.089 7.850 0.239 1
1 186 . 3 1 1 A 21 21 LEU HA H 21 4.159 4.182 -0.023 1
1 196 . 3 1 1 A 21 21 LEU C C 21 176.455 176.523 -0.068 1
1 197 . 3 1 1 A 21 21 LEU CA C 21 55.287 55.417 -0.130 1
1 198 . 3 1 1 A 21 21 LEU CB C 21 42.051 42.091 -0.040 1
1 202 . 3 1 1 A 21 21 LEU N N 21 119.540 121.389 -1.849 1
1 203 . 3 1 1 A 22 22 ARG H H 22 7.687 7.956 -0.269 1
1 204 . 3 1 1 A 22 22 ARG HA H 22 3.806 3.854 -0.048 1
1 211 . 3 1 1 A 22 22 ARG C C 22 175.087 174.738 0.349 1
1 212 . 3 1 1 A 22 22 ARG CA C 22 56.788 56.840 -0.052 1
1 213 . 3 1 1 A 22 22 ARG CB C 22 27.130 28.005 -0.875 1
1 216 . 3 1 1 A 22 22 ARG N N 22 114.383 118.256 -3.873 1
1 217 . 3 1 1 A 23 23 ARG H H 23 7.392 7.540 -0.148 1
1 218 . 3 1 1 A 23 23 ARG HA H 23 4.603 4.778 -0.175 1
1 225 . 3 1 1 A 23 23 ARG C C 23 176.112 174.973 1.139 1
1 226 . 3 1 1 A 23 23 ARG CA C 23 54.846 54.572 0.274 1
1 227 . 3 1 1 A 23 23 ARG CB C 23 32.387 32.709 -0.322 1
1 230 . 3 1 1 A 23 23 ARG N N 23 115.846 118.785 -2.939 1
1 231 . 3 1 1 A 24 24 TRP H H 24 9.013 8.636 0.377 1
1 232 . 3 1 1 A 24 24 TRP HA H 24 5.154 5.383 -0.229 1
1 241 . 3 1 1 A 24 24 TRP C C 24 176.347 176.549 -0.202 1
1 242 . 3 1 1 A 24 24 TRP CA C 24 57.546 57.686 -0.140 1
1 243 . 3 1 1 A 24 24 TRP CB C 24 31.112 30.884 0.228 1
1 249 . 3 1 1 A 24 24 TRP N N 24 123.861 123.206 0.655 1
1 251 . 3 1 1 A 25 25 LYS H H 25 9.553 9.641 -0.088 1
1 252 . 3 1 1 A 25 25 LYS HA H 25 4.992 5.436 -0.444 1
1 261 . 3 1 1 A 25 25 LYS C C 25 173.887 175.303 -1.416 1
1 262 . 3 1 1 A 25 25 LYS CA C 25 55.023 55.048 -0.025 1
1 263 . 3 1 1 A 25 25 LYS CB C 25 35.965 36.348 -0.383 1
1 267 . 3 1 1 A 25 25 LYS N N 25 123.241 119.587 3.654 1
1 268 . 3 1 1 A 26 26 ARG H H 26 8.705 8.646 0.059 1
1 269 . 3 1 1 A 26 26 ARG HA H 26 4.494 4.132 0.362 1
1 276 . 3 1 1 A 26 26 ARG C C 26 175.755 176.515 -0.760 1
1 277 . 3 1 1 A 26 26 ARG CA C 26 56.046 56.250 -0.204 1
1 278 . 3 1 1 A 26 26 ARG CB C 26 30.783 30.565 0.218 1
1 281 . 3 1 1 A 26 26 ARG N N 26 124.843 122.646 2.197 1
1 282 . 3 1 1 A 27 27 ASN H H 27 9.100 8.705 0.395 1
1 283 . 3 1 1 A 27 27 ASN HA H 27 5.235 5.240 -0.005 1
1 288 . 3 1 1 A 27 27 ASN CA C 27 54.041 52.062 1.979 1
1 289 . 3 1 1 A 27 27 ASN CB C 27 46.737 43.650 3.087 1
1 290 . 3 1 1 A 27 27 ASN N N 27 123.044 121.794 1.250 1
1 292 . 3 1 1 A 28 28 TRP H H 28 7.835 8.345 -0.510 1
1 293 . 3 1 1 A 28 28 TRP HA H 28 4.105 4.928 -0.823 1
1 299 . 3 1 1 A 28 28 TRP N N 28 122.540 124.583 -2.043 1
1 300 . 3 1 1 A 29 29 PHE H H 29 8.755 8.931 -0.176 1
1 301 . 3 1 1 A 29 29 PHE HA H 29 5.001 4.770 0.231 1
1 309 . 3 1 1 A 29 29 PHE CA C 29 56.692 56.701 -0.009 1
1 310 . 3 1 1 A 29 29 PHE CB C 29 42.284 40.636 1.648 1
1 316 . 3 1 1 A 29 29 PHE N N 29 129.716 126.433 3.283 1
1 317 . 3 1 1 A 30 30 ALA H H 30 8.695 8.357 0.338 1
1 321 . 3 1 1 A 30 30 ALA C C 30 173.958 174.663 -0.705 1
1 322 . 3 1 1 A 30 30 ALA CA C 30 50.611 50.653 -0.042 1
1 323 . 3 1 1 A 30 30 ALA CB C 30 22.570 21.735 0.835 1
1 324 . 3 1 1 A 31 31 LEU H H 31 8.815 8.090 0.725 1
1 325 . 3 1 1 A 31 31 LEU HA H 31 5.003 4.665 0.338 1
1 335 . 3 1 1 A 31 31 LEU C C 31 174.414 174.274 0.140 1
1 336 . 3 1 1 A 31 31 LEU CA C 31 53.240 53.695 -0.455 1
1 337 . 3 1 1 A 31 31 LEU CB C 31 44.783 44.554 0.229 1
1 341 . 3 1 1 A 31 31 LEU N N 31 124.610 124.702 -0.092 1
1 342 . 3 1 1 A 32 32 TRP H H 32 9.045 8.781 0.264 1
1 343 . 3 1 1 A 32 32 TRP HA H 32 5.499 5.474 0.025 1
1 352 . 3 1 1 A 32 32 TRP C C 32 178.871 177.160 1.711 1
1 353 . 3 1 1 A 32 32 TRP CA C 32 55.552 55.914 -0.362 1
1 354 . 3 1 1 A 32 32 TRP CB C 32 32.346 31.916 0.430 1
1 360 . 3 1 1 A 32 32 TRP N N 32 128.500 127.143 1.357 1
1 362 . 3 1 1 A 33 33 LEU H H 33 9.246 9.412 -0.166 1
1 363 . 3 1 1 A 33 33 LEU HA H 33 4.075 3.984 0.091 1
1 373 . 3 1 1 A 33 33 LEU C C 33 176.859 178.298 -1.439 1
1 374 . 3 1 1 A 33 33 LEU CA C 33 57.035 57.927 -0.892 1
1 375 . 3 1 1 A 33 33 LEU CB C 33 42.651 41.145 1.506 1
1 379 . 3 1 1 A 33 33 LEU N N 33 123.838 126.022 -2.184 1
1 380 . 3 1 1 A 34 34 ASP H H 34 7.536 7.973 -0.437 1
1 381 . 3 1 1 A 34 34 ASP HA H 34 4.395 4.504 -0.109 1
1 384 . 3 1 1 A 34 34 ASP C C 34 177.113 176.549 0.564 1
1 385 . 3 1 1 A 34 34 ASP CA C 34 53.805 54.535 -0.730 1
1 386 . 3 1 1 A 34 34 ASP CB C 34 39.625 40.912 -1.287 1
1 387 . 3 1 1 A 34 34 ASP N N 34 115.948 116.173 -0.225 1
1 388 . 3 1 1 A 35 35 GLY H H 35 8.264 8.861 -0.597 1
1 389 . 3 1 1 A 35 35 GLY HA2 H 35 4.205 3.911 0.294 1
1 390 . 3 1 1 A 35 35 GLY HA3 H 35 3.895 3.935 -0.040 1
1 391 . 3 1 1 A 35 35 GLY C C 35 173.898 173.932 -0.034 1
1 392 . 3 1 1 A 35 35 GLY CA C 35 46.216 45.921 0.295 1
1 393 . 3 1 1 A 35 35 GLY N N 35 106.508 107.475 -0.967 1
1 394 . 3 1 1 A 36 36 THR H H 36 8.035 7.752 0.283 1
1 395 . 3 1 1 A 36 36 THR HA H 36 5.123 5.084 0.039 1
1 400 . 3 1 1 A 36 36 THR C C 36 170.669 173.326 -2.657 1
1 401 . 3 1 1 A 36 36 THR CA C 36 60.588 59.347 1.241 1
1 402 . 3 1 1 A 36 36 THR CB C 36 72.314 72.369 -0.055 1
1 404 . 3 1 1 A 36 36 THR N N 36 112.047 110.647 1.400 1
1 405 . 3 1 1 A 37 37 LEU H H 37 9.344 9.205 0.139 1
1 406 . 3 1 1 A 37 37 LEU HA H 37 5.616 4.996 0.620 1
1 416 . 3 1 1 A 37 37 LEU C C 37 175.787 174.826 0.961 1
1 417 . 3 1 1 A 37 37 LEU CA C 37 52.799 53.877 -1.078 1
1 418 . 3 1 1 A 37 37 LEU CB C 37 46.698 45.047 1.651 1
1 422 . 3 1 1 A 37 37 LEU N N 37 122.915 123.564 -0.649 1
1 423 . 3 1 1 A 38 38 GLY H H 38 9.685 8.757 0.928 1
1 424 . 3 1 1 A 38 38 GLY HA2 H 38 5.074 4.023 1.051 1
1 425 . 3 1 1 A 38 38 GLY HA3 H 38 3.825 4.231 -0.406 1
1 426 . 3 1 1 A 38 38 GLY C C 38 172.258 172.203 0.055 1
1 427 . 3 1 1 A 38 38 GLY CA C 38 43.676 43.981 -0.305 1
1 428 . 3 1 1 A 38 38 GLY N N 38 113.092 113.903 -0.811 1
1 429 . 3 1 1 A 39 39 TYR H H 39 7.362 7.981 -0.619 1
1 430 . 3 1 1 A 39 39 TYR HA H 39 5.251 5.345 -0.094 1
1 437 . 3 1 1 A 39 39 TYR C C 39 175.367 174.031 1.336 1
1 438 . 3 1 1 A 39 39 TYR CA C 39 54.282 55.223 -0.941 1
1 439 . 3 1 1 A 39 39 TYR CB C 39 37.774 40.166 -2.392 1
1 444 . 3 1 1 A 39 39 TYR N N 39 113.951 118.141 -4.190 1
1 445 . 3 1 1 A 40 40 TYR H H 40 9.315 8.904 0.411 1
1 446 . 3 1 1 A 40 40 TYR HA H 40 5.305 4.874 0.431 1
1 453 . 3 1 1 A 40 40 TYR C C 40 177.694 176.684 1.010 1
1 454 . 3 1 1 A 40 40 TYR CA C 40 57.185 57.533 -0.348 1
1 455 . 3 1 1 A 40 40 TYR CB C 40 43.779 40.738 3.041 1
1 460 . 3 1 1 A 40 40 TYR N N 40 117.930 122.952 -5.022 1
1 461 . 3 1 1 A 41 41 HIS H H 41 8.658 9.004 -0.346 1
1 462 . 3 1 1 A 41 41 HIS HA H 41 4.654 4.450 0.204 1
1 467 . 3 1 1 A 41 41 HIS C C 41 174.858 175.061 -0.203 1
1 468 . 3 1 1 A 41 41 HIS CA C 41 59.159 59.121 0.038 1
1 469 . 3 1 1 A 41 41 HIS CB C 41 31.094 30.006 1.088 1
1 472 . 3 1 1 A 41 41 HIS N N 41 121.927 120.827 1.100 1
1 473 . 3 1 1 A 42 42 ASP H H 42 8.095 7.916 0.179 1
1 474 . 3 1 1 A 42 42 ASP HA H 42 4.795 4.596 0.199 1
1 477 . 3 1 1 A 42 42 ASP C C 42 175.052 176.019 -0.967 1
1 478 . 3 1 1 A 42 42 ASP CA C 42 53.155 52.829 0.326 1
1 479 . 3 1 1 A 42 42 ASP CB C 42 41.860 41.890 -0.030 1
1 480 . 3 1 1 A 42 42 ASP N N 42 112.020 115.387 -3.367 1
1 481 . 3 1 1 A 43 43 GLU H H 43 8.899 8.662 0.237 1
1 482 . 3 1 1 A 43 43 GLU C C 43 176.336 176.857 -0.521 1
1 483 . 3 1 1 A 43 43 GLU CA C 43 57.021 59.714 -2.693 1
1 484 . 3 1 1 A 43 43 GLU CB C 43 27.493 29.377 -1.884 1
1 485 . 3 1 1 A 43 43 GLU N N 43 116.402 118.936 -2.534 1
1 486 . 3 1 1 A 44 44 THR H H 44 8.093 7.534 0.559 1
1 487 . 3 1 1 A 44 44 THR HA H 44 3.915 4.169 -0.254 1
1 492 . 3 1 1 A 44 44 THR CA C 44 63.143 61.497 1.646 1
1 493 . 3 1 1 A 44 44 THR CB C 44 69.620 68.490 1.130 1
1 495 . 3 1 1 A 44 44 THR N N 44 111.376 111.002 0.374 1
1 496 . 3 1 1 A 45 45 ALA H H 45 7.815 8.244 -0.429 1
1 497 . 3 1 1 A 45 45 ALA HA H 45 3.430 3.868 -0.438 1
1 501 . 3 1 1 A 45 45 ALA C C 45 175.091 177.845 -2.754 1
1 502 . 3 1 1 A 45 45 ALA CA C 45 53.434 51.846 1.588 1
1 503 . 3 1 1 A 45 45 ALA CB C 45 15.567 17.399 -1.832 1
1 504 . 3 1 1 A 46 46 GLN H H 46 7.869 7.954 -0.085 1
1 505 . 3 1 1 A 46 46 GLN HA H 46 4.238 4.391 -0.153 1
1 512 . 3 1 1 A 46 46 GLN C C 46 176.190 176.029 0.161 1
1 513 . 3 1 1 A 46 46 GLN CA C 46 56.929 56.877 0.052 1
1 514 . 3 1 1 A 46 46 GLN CB C 46 30.454 30.025 0.429 1
1 516 . 3 1 1 A 46 46 GLN N N 46 115.953 116.910 -0.957 1
1 518 . 3 1 1 A 47 47 ASP H H 47 8.326 8.001 0.325 1
1 519 . 3 1 1 A 47 47 ASP HA H 47 4.954 4.742 0.212 1
1 522 . 3 1 1 A 47 47 ASP C C 47 173.846 175.720 -1.874 1
1 523 . 3 1 1 A 47 47 ASP CA C 47 52.993 52.703 0.290 1
1 524 . 3 1 1 A 47 47 ASP CB C 47 41.558 39.561 1.997 1
1 525 . 3 1 1 A 47 47 ASP N N 47 119.830 119.546 0.284 1
1 526 . 3 1 1 A 48 48 GLU H H 48 8.756 7.739 1.017 1
1 527 . 3 1 1 A 48 48 GLU HA H 48 3.785 3.965 -0.180 1
1 532 . 3 1 1 A 48 48 GLU C C 48 175.892 177.140 -1.248 1
1 533 . 3 1 1 A 48 48 GLU CA C 48 56.470 57.339 -0.869 1
1 534 . 3 1 1 A 48 48 GLU CB C 48 32.264 30.555 1.709 1
1 536 . 3 1 1 A 48 48 GLU N N 48 125.923 123.484 2.439 1
1 537 . 3 1 1 A 49 49 GLU H H 49 8.945 8.658 0.287 1
1 538 . 3 1 1 A 49 49 GLU HA H 49 4.164 4.291 -0.127 1
1 543 . 3 1 1 A 49 49 GLU C C 49 176.040 176.138 -0.098 1
1 544 . 3 1 1 A 49 49 GLU CA C 49 58.447 58.173 0.274 1
1 545 . 3 1 1 A 49 49 GLU CB C 49 30.207 30.567 -0.360 1
1 547 . 3 1 1 A 49 49 GLU N N 49 129.751 127.365 2.386 1
1 548 . 3 1 1 A 50 50 ASP H H 50 6.736 7.248 -0.512 1
1 549 . 3 1 1 A 50 50 ASP HA H 50 4.355 4.884 -0.529 1
1 552 . 3 1 1 A 50 50 ASP C C 50 172.562 173.507 -0.945 1
1 553 . 3 1 1 A 50 50 ASP CA C 50 52.729 53.085 -0.356 1
1 554 . 3 1 1 A 50 50 ASP CB C 50 43.737 44.933 -1.196 1
1 555 . 3 1 1 A 50 50 ASP N N 50 113.574 116.776 -3.202 1
1 556 . 3 1 1 A 51 51 ARG H H 51 8.532 8.595 -0.063 1
1 557 . 3 1 1 A 51 51 ARG HA H 51 5.005 4.797 0.208 1
1 565 . 3 1 1 A 51 51 ARG C C 51 174.656 174.567 0.089 1
1 566 . 3 1 1 A 51 51 ARG CA C 51 55.605 55.487 0.118 1
1 567 . 3 1 1 A 51 51 ARG CB C 51 33.520 33.908 -0.388 1
1 570 . 3 1 1 A 51 51 ARG N N 51 117.888 121.732 -3.844 1
1 572 . 3 1 1 A 52 52 VAL H H 52 9.155 9.062 0.093 1
1 573 . 3 1 1 A 52 52 VAL HA H 52 4.616 4.993 -0.377 1
1 581 . 3 1 1 A 52 52 VAL C C 52 174.710 175.344 -0.634 1
1 582 . 3 1 1 A 52 52 VAL CA C 52 59.382 59.598 -0.216 1
1 583 . 3 1 1 A 52 52 VAL CB C 52 35.266 34.363 0.903 1
1 586 . 3 1 1 A 52 52 VAL N N 52 121.629 122.237 -0.608 1
1 587 . 3 1 1 A 53 53 VAL H H 53 8.956 8.969 -0.013 1
1 588 . 3 1 1 A 53 53 VAL HA H 53 3.745 4.184 -0.439 1
1 596 . 3 1 1 A 53 53 VAL C C 53 174.610 175.574 -0.964 1
1 597 . 3 1 1 A 53 53 VAL CA C 53 64.676 62.876 1.800 1
1 598 . 3 1 1 A 53 53 VAL CB C 53 32.305 32.294 0.011 1
1 601 . 3 1 1 A 53 53 VAL N N 53 125.547 123.345 2.202 1
1 602 . 3 1 1 A 54 54 ILE H H 54 8.705 9.114 -0.409 1
1 603 . 3 1 1 A 54 54 ILE HA H 54 4.324 4.299 0.025 1
1 613 . 3 1 1 A 54 54 ILE C C 54 176.747 176.215 0.532 1
1 614 . 3 1 1 A 54 54 ILE CA C 54 58.623 62.732 -4.109 1
1 615 . 3 1 1 A 54 54 ILE CB C 54 36.787 39.223 -2.436 1
1 619 . 3 1 1 A 54 54 ILE N N 54 126.147 126.544 -0.397 1
1 620 . 3 1 1 A 55 55 HIS H H 55 7.913 7.752 0.161 1
1 621 . 3 1 1 A 55 55 HIS HA H 55 4.626 4.097 0.529 1
1 626 . 3 1 1 A 55 55 HIS C C 55 174.365 175.539 -1.174 1
1 627 . 3 1 1 A 55 55 HIS CA C 55 57.917 56.805 1.112 1
1 628 . 3 1 1 A 55 55 HIS CB C 55 29.796 29.596 0.200 1
1 631 . 3 1 1 A 55 55 HIS N N 55 119.790 123.099 -3.309 1
1 632 . 3 1 1 A 56 56 PHE H H 56 9.382 8.577 0.805 1
1 633 . 3 1 1 A 56 56 PHE HA H 56 4.225 4.213 0.012 1
1 641 . 3 1 1 A 56 56 PHE C C 56 175.781 175.016 0.765 1
1 642 . 3 1 1 A 56 56 PHE CA C 56 57.593 58.322 -0.729 1
1 643 . 3 1 1 A 56 56 PHE CB C 56 36.664 36.088 0.576 1
1 649 . 3 1 1 A 56 56 PHE N N 56 124.614 123.031 1.583 1
1 650 . 3 1 1 A 57 57 ASN H H 57 8.755 7.662 1.093 1
1 651 . 3 1 1 A 57 57 ASN HA H 57 5.319 5.055 0.264 1
1 656 . 3 1 1 A 57 57 ASN C C 57 175.317 175.298 0.019 1
1 657 . 3 1 1 A 57 57 ASN CA C 57 52.129 54.067 -1.938 1
1 658 . 3 1 1 A 57 57 ASN CB C 57 41.640 41.355 0.285 1
1 659 . 3 1 1 A 57 57 ASN N N 57 114.893 116.426 -1.533 1
1 661 . 3 1 1 A 58 58 VAL H H 58 8.606 7.563 1.043 1
1 662 . 3 1 1 A 58 58 VAL HA H 58 4.138 4.349 -0.211 1
1 670 . 3 1 1 A 58 58 VAL C C 58 175.486 176.122 -0.636 1
1 671 . 3 1 1 A 58 58 VAL CA C 58 63.035 63.561 -0.526 1
1 672 . 3 1 1 A 58 58 VAL CB C 58 32.733 31.787 0.946 1
1 675 . 3 1 1 A 58 58 VAL N N 58 121.476 118.772 2.704 1
1 676 . 3 1 1 A 59 59 ARG H H 59 9.233 9.359 -0.126 1
1 677 . 3 1 1 A 59 59 ARG HA H 59 4.184 4.296 -0.112 1
1 684 . 3 1 1 A 59 59 ARG C C 59 175.572 175.151 0.421 1
1 685 . 3 1 1 A 59 59 ARG CA C 59 58.093 57.619 0.474 1
1 686 . 3 1 1 A 59 59 ARG CB C 59 31.236 31.539 -0.303 1
1 689 . 3 1 1 A 59 59 ARG N N 59 128.965 129.621 -0.656 1
1 690 . 3 1 1 A 60 60 ASP H H 60 7.745 7.695 0.050 1
1 691 . 3 1 1 A 60 60 ASP HA H 60 4.485 5.033 -0.548 1
1 694 . 3 1 1 A 60 60 ASP C C 60 173.047 173.862 -0.815 1
1 695 . 3 1 1 A 60 60 ASP CA C 60 53.911 53.516 0.395 1
1 696 . 3 1 1 A 60 60 ASP CB C 60 42.874 43.870 -0.996 1
1 697 . 3 1 1 A 60 60 ASP N N 60 113.170 117.364 -4.194 1
1 698 . 3 1 1 A 61 61 ILE H H 61 8.398 8.455 -0.057 1
1 699 . 3 1 1 A 61 61 ILE HA H 61 5.055 4.921 0.134 1
1 709 . 3 1 1 A 61 61 ILE C C 61 174.897 174.263 0.634 1
1 710 . 3 1 1 A 61 61 ILE CA C 61 60.511 60.473 0.038 1
1 711 . 3 1 1 A 61 61 ILE CB C 61 41.558 40.953 0.605 1
1 715 . 3 1 1 A 61 61 ILE N N 61 118.375 121.931 -3.556 1
1 716 . 3 1 1 A 62 62 LYS H H 62 8.619 9.070 -0.451 1
1 717 . 3 1 1 A 62 62 LYS HA H 62 4.711 5.027 -0.316 1
1 726 . 3 1 1 A 62 62 LYS C C 62 174.636 175.670 -1.034 1
1 727 . 3 1 1 A 62 62 LYS CA C 62 53.947 55.001 -1.054 1
1 728 . 3 1 1 A 62 62 LYS CB C 62 35.677 35.199 0.478 1
1 732 . 3 1 1 A 62 62 LYS N N 62 128.701 126.750 1.951 1
1 733 . 3 1 1 A 63 63 VAL H H 63 8.946 8.715 0.231 1
1 734 . 3 1 1 A 63 63 VAL HA H 63 5.073 4.686 0.387 1
1 742 . 3 1 1 A 63 63 VAL C C 63 177.772 176.174 1.598 1
1 743 . 3 1 1 A 63 63 VAL CA C 63 59.734 60.885 -1.151 1
1 744 . 3 1 1 A 63 63 VAL CB C 63 36.210 34.792 1.418 1
1 747 . 3 1 1 A 63 63 VAL N N 63 120.053 121.973 -1.920 1
1 748 . 3 1 1 A 64 64 GLY H H 64 9.804 8.701 1.103 1
1 749 . 3 1 1 A 64 64 GLY HA2 H 64 4.415 3.916 0.499 1
1 750 . 3 1 1 A 64 64 GLY HA3 H 64 3.906 3.919 -0.013 1
1 751 . 3 1 1 A 64 64 GLY C C 64 176.864 175.107 1.757 1
1 752 . 3 1 1 A 64 64 GLY CA C 64 47.063 47.174 -0.111 1
1 753 . 3 1 1 A 64 64 GLY N N 64 118.354 113.901 4.453 1
1 754 . 3 1 1 A 65 65 GLN H H 65 9.045 8.851 0.194 1
1 755 . 3 1 1 A 65 65 GLN HA H 65 3.944 4.083 -0.139 1
1 762 . 3 1 1 A 65 65 GLN C C 65 176.698 178.085 -1.387 1
1 763 . 3 1 1 A 65 65 GLN CA C 65 57.793 58.712 -0.919 1
1 764 . 3 1 1 A 65 65 GLN CB C 65 27.822 28.546 -0.724 1
1 766 . 3 1 1 A 65 65 GLN N N 65 124.600 125.031 -0.431 1
1 768 . 3 1 1 A 66 66 GLU H H 66 7.886 7.688 0.198 1
1 769 . 3 1 1 A 66 66 GLU HA H 66 4.145 4.061 0.084 1
1 774 . 3 1 1 A 66 66 GLU C C 66 178.049 176.764 1.285 1
1 775 . 3 1 1 A 66 66 GLU CA C 66 57.564 59.527 -1.963 1
1 776 . 3 1 1 A 66 66 GLU CB C 66 31.236 29.250 1.986 1
1 778 . 3 1 1 A 66 66 GLU N N 66 116.486 118.743 -2.257 1
1 779 . 3 1 1 A 67 67 CYS H H 67 8.015 7.577 0.438 1
1 780 . 3 1 1 A 67 67 CYS HA H 67 4.331 4.268 0.063 1
1 783 . 3 1 1 A 67 67 CYS C C 67 175.278 175.080 0.198 1
1 784 . 3 1 1 A 67 67 CYS CA C 67 58.817 60.005 -1.188 1
1 785 . 3 1 1 A 67 67 CYS CB C 67 26.342 28.618 -2.276 1
1 786 . 3 1 1 A 67 67 CYS N N 67 119.526 118.021 1.505 1
1 787 . 3 1 1 A 68 68 GLN H H 68 7.983 8.546 -0.563 1
1 788 . 3 1 1 A 68 68 GLN HA H 68 4.199 4.565 -0.366 1
1 795 . 3 1 1 A 68 68 GLN C C 68 175.866 175.856 0.010 1
1 796 . 3 1 1 A 68 68 GLN CA C 68 56.399 56.577 -0.178 1
1 797 . 3 1 1 A 68 68 GLN CB C 68 29.837 30.314 -0.477 1
1 799 . 3 1 1 A 68 68 GLN N N 68 120.826 118.899 1.927 1
1 801 . 3 1 1 A 69 69 ASP H H 69 8.755 8.133 0.622 1
1 802 . 3 1 1 A 69 69 ASP HA H 69 4.395 4.768 -0.373 1
1 805 . 3 1 1 A 69 69 ASP C C 69 174.652 175.917 -1.265 1
1 806 . 3 1 1 A 69 69 ASP CA C 69 54.546 53.360 1.186 1
1 807 . 3 1 1 A 69 69 ASP CB C 69 39.954 41.962 -2.008 1
1 808 . 3 1 1 A 69 69 ASP N N 69 117.691 115.701 1.990 1
1 809 . 3 1 1 A 70 70 VAL H H 70 7.245 7.470 -0.225 1
1 810 . 3 1 1 A 70 70 VAL HA H 70 4.173 4.192 -0.019 1
1 818 . 3 1 1 A 70 70 VAL C C 70 173.502 175.508 -2.006 1
1 819 . 3 1 1 A 70 70 VAL CA C 70 60.502 62.157 -1.655 1
1 820 . 3 1 1 A 70 70 VAL CB C 70 34.397 32.851 1.546 1
1 823 . 3 1 1 A 70 70 VAL N N 70 116.632 121.082 -4.450 1
1 824 . 3 1 1 A 71 71 GLN H H 71 8.513 9.192 -0.679 1
1 825 . 3 1 1 A 71 71 GLN HA H 71 4.758 5.122 -0.364 1
1 832 . 3 1 1 A 71 71 GLN C C 71 173.404 173.488 -0.084 1
1 833 . 3 1 1 A 71 71 GLN CA C 71 52.093 52.960 -0.867 1
1 834 . 3 1 1 A 71 71 GLN CB C 71 29.467 31.876 -2.409 1
1 836 . 3 1 1 A 71 71 GLN N N 71 125.361 123.780 1.581 1
1 838 . 3 1 1 A 72 72 PRO HA H 72 3.955 4.348 -0.393 1
1 845 . 3 1 1 A 72 72 PRO CA C 72 61.219 61.546 -0.327 1
1 846 . 3 1 1 A 72 72 PRO CB C 72 30.548 31.486 -0.938 1
1 849 . 3 1 1 A 73 73 PRO HA H 73 3.584 4.301 -0.717 1
1 856 . 3 1 1 A 73 73 PRO C C 73 175.005 176.527 -1.522 1
1 857 . 3 1 1 A 73 73 PRO CA C 73 61.764 62.260 -0.496 1
1 858 . 3 1 1 A 73 73 PRO CB C 73 30.080 31.386 -1.306 1
1 861 . 3 1 1 A 74 74 GLU H H 74 8.066 8.582 -0.516 1
1 862 . 3 1 1 A 74 74 GLU HA H 74 3.766 3.876 -0.110 1
1 867 . 3 1 1 A 74 74 GLU C C 74 177.415 177.062 0.353 1
1 868 . 3 1 1 A 74 74 GLU CA C 74 58.005 58.279 -0.274 1
1 869 . 3 1 1 A 74 74 GLU CB C 74 29.340 29.200 0.140 1
1 871 . 3 1 1 A 74 74 GLU N N 74 120.425 122.702 -2.277 1
1 872 . 3 1 1 A 75 75 GLY H H 75 8.576 8.927 -0.351 1
1 873 . 3 1 1 A 75 75 GLY HA2 H 75 4.024 3.928 0.096 1
1 874 . 3 1 1 A 75 75 GLY HA3 H 75 3.568 3.948 -0.380 1
1 875 . 3 1 1 A 75 75 GLY C C 75 174.093 174.491 -0.398 1
1 876 . 3 1 1 A 75 75 GLY CA C 75 45.299 45.096 0.203 1
1 877 . 3 1 1 A 75 75 GLY N N 75 112.779 114.846 -2.067 1
1 878 . 3 1 1 A 76 76 ARG H H 76 7.791 7.546 0.245 1
1 879 . 3 1 1 A 76 76 ARG HA H 76 4.444 4.249 0.195 1
1 887 . 3 1 1 A 76 76 ARG C C 76 175.188 174.759 0.429 1
1 888 . 3 1 1 A 76 76 ARG CA C 76 54.617 56.375 -1.758 1
1 889 . 3 1 1 A 76 76 ARG CB C 76 31.030 31.483 -0.453 1
1 892 . 3 1 1 A 76 76 ARG N N 76 121.088 121.466 -0.378 1
1 894 . 3 1 1 A 77 77 SER H H 77 8.235 8.188 0.047 1
1 895 . 3 1 1 A 77 77 SER HA H 77 4.405 4.777 -0.372 1
1 898 . 3 1 1 A 77 77 SER C C 77 176.069 174.567 1.502 1
1 899 . 3 1 1 A 77 77 SER CA C 77 56.805 56.048 0.757 1
1 900 . 3 1 1 A 77 77 SER CB C 77 64.136 65.775 -1.639 1
1 901 . 3 1 1 A 77 77 SER N N 77 113.991 116.212 -2.221 1
1 902 . 3 1 1 A 78 78 ARG H H 78 8.745 8.736 0.009 1
1 903 . 3 1 1 A 78 78 ARG HA H 78 3.774 4.212 -0.438 1
1 909 . 3 1 1 A 78 78 ARG C C 78 176.758 177.062 -0.304 1
1 910 . 3 1 1 A 78 78 ARG CA C 78 58.341 58.271 0.070 1
1 911 . 3 1 1 A 78 78 ARG CB C 78 30.043 30.066 -0.023 1
1 914 . 3 1 1 A 78 78 ARG N N 78 122.262 126.478 -4.216 1
1 915 . 3 1 1 A 79 79 ASP H H 79 8.106 8.067 0.039 1
1 916 . 3 1 1 A 79 79 ASP HA H 79 4.175 4.413 -0.238 1
1 919 . 3 1 1 A 79 79 ASP C C 79 175.579 178.489 -2.910 1
1 920 . 3 1 1 A 79 79 ASP CA C 79 57.159 56.294 0.865 1
1 921 . 3 1 1 A 79 79 ASP CB C 79 40.900 40.614 0.286 1
1 922 . 3 1 1 A 79 79 ASP N N 79 115.963 118.511 -2.548 1
1 923 . 3 1 1 A 80 80 GLY H H 80 7.305 7.642 -0.337 1
1 924 . 3 1 1 A 80 80 GLY HA2 H 80 4.047 3.952 0.095 1
1 925 . 3 1 1 A 80 80 GLY HA3 H 80 3.387 3.975 -0.588 1
1 926 . 3 1 1 A 80 80 GLY C C 80 174.263 174.389 -0.126 1
1 927 . 3 1 1 A 80 80 GLY CA C 80 44.276 45.331 -1.055 1
1 928 . 3 1 1 A 80 80 GLY N N 80 101.592 107.101 -5.509 1
1 929 . 3 1 1 A 81 81 LEU H H 81 7.307 7.216 0.091 1
1 930 . 3 1 1 A 81 81 LEU HA H 81 4.494 4.185 0.309 1
1 940 . 3 1 1 A 81 81 LEU C C 81 176.212 176.365 -0.153 1
1 941 . 3 1 1 A 81 81 LEU CA C 81 56.346 55.774 0.572 1
1 942 . 3 1 1 A 81 81 LEU CB C 81 44.025 42.242 1.783 1
1 946 . 3 1 1 A 81 81 LEU N N 81 121.062 121.541 -0.479 1
1 947 . 3 1 1 A 82 82 LEU H H 82 8.286 8.355 -0.069 1
1 948 . 3 1 1 A 82 82 LEU HA H 82 5.260 4.980 0.280 1
1 958 . 3 1 1 A 82 82 LEU C C 82 175.122 174.457 0.665 1
1 959 . 3 1 1 A 82 82 LEU CA C 82 55.334 54.781 0.553 1
1 960 . 3 1 1 A 82 82 LEU CB C 82 46.064 45.284 0.780 1
1 964 . 3 1 1 A 82 82 LEU N N 82 118.524 122.699 -4.175 1
1 965 . 3 1 1 A 83 83 THR H H 83 9.095 8.959 0.136 1
1 966 . 3 1 1 A 83 83 THR HA H 83 5.305 5.123 0.182 1
1 971 . 3 1 1 A 83 83 THR C C 83 173.754 173.794 -0.040 1
1 972 . 3 1 1 A 83 83 THR CA C 83 61.076 62.116 -1.040 1
1 973 . 3 1 1 A 83 83 THR CB C 83 71.268 69.567 1.701 1
1 975 . 3 1 1 A 83 83 THR N N 83 120.894 123.316 -2.422 1
1 976 . 3 1 1 A 84 84 VAL H H 84 9.175 8.975 0.200 1
1 977 . 3 1 1 A 84 84 VAL HA H 84 4.205 4.521 -0.316 1
1 985 . 3 1 1 A 84 84 VAL C C 84 173.741 175.184 -1.443 1
1 986 . 3 1 1 A 84 84 VAL CA C 84 61.182 61.487 -0.305 1
1 987 . 3 1 1 A 84 84 VAL CB C 84 32.921 33.035 -0.114 1
1 990 . 3 1 1 A 84 84 VAL N N 84 127.342 128.697 -1.355 1
1 991 . 3 1 1 A 85 85 ASN H H 85 8.597 9.279 -0.682 1
1 992 . 3 1 1 A 85 85 ASN HA H 85 4.960 5.466 -0.506 1
1 997 . 3 1 1 A 85 85 ASN C C 85 174.440 174.182 0.258 1
1 998 . 3 1 1 A 85 85 ASN CA C 85 52.870 51.675 1.195 1
1 999 . 3 1 1 A 85 85 ASN CB C 85 39.214 41.786 -2.572 1
1 1000 . 3 1 1 A 85 85 ASN N N 85 125.999 124.267 1.732 1
1 1002 . 3 1 1 A 86 86 LEU H H 86 8.283 8.560 -0.277 1
1 1003 . 3 1 1 A 86 86 LEU HA H 86 5.176 4.880 0.296 1
1 1013 . 3 1 1 A 86 86 LEU C C 86 178.644 178.071 0.573 1
1 1014 . 3 1 1 A 86 86 LEU CA C 86 53.700 53.217 0.483 1
1 1015 . 3 1 1 A 86 86 LEU CB C 86 42.298 44.071 -1.773 1
1 1019 . 3 1 1 A 86 86 LEU N N 86 125.763 124.855 0.908 1
1 1020 . 3 1 1 A 87 87 ARG H H 87 8.655 9.146 -0.491 1
1 1021 . 3 1 1 A 87 87 ARG HA H 87 3.905 4.156 -0.251 1
1 1028 . 3 1 1 A 87 87 ARG C C 87 177.223 178.506 -1.283 1
1 1029 . 3 1 1 A 87 87 ARG CA C 87 59.717 58.305 1.412 1
1 1030 . 3 1 1 A 87 87 ARG CB C 87 29.280 29.962 -0.682 1
1 1033 . 3 1 1 A 87 87 ARG N N 87 123.105 121.259 1.846 1
1 1034 . 3 1 1 A 88 88 GLU H H 88 8.525 8.068 0.457 1
1 1035 . 3 1 1 A 88 88 GLU HA H 88 4.515 4.233 0.282 1
1 1040 . 3 1 1 A 88 88 GLU C C 88 175.762 176.725 -0.963 1
1 1041 . 3 1 1 A 88 88 GLU CA C 88 55.852 58.157 -2.305 1
1 1042 . 3 1 1 A 88 88 GLU CB C 88 30.249 29.775 0.474 1
1 1044 . 3 1 1 A 88 88 GLU N N 88 117.722 118.033 -0.311 1
1 1045 . 3 1 1 A 89 89 GLY H H 89 8.063 7.762 0.301 1
1 1046 . 3 1 1 A 89 89 GLY HA2 H 89 3.735 4.075 -0.340 1
1 1047 . 3 1 1 A 89 89 GLY HA3 H 89 4.536 4.077 0.459 1
1 1048 . 3 1 1 A 89 89 GLY C C 89 173.864 173.562 0.302 1
1 1049 . 3 1 1 A 89 89 GLY CA C 89 44.222 45.394 -1.172 1
1 1050 . 3 1 1 A 89 89 GLY N N 89 110.616 109.166 1.450 1
1 1051 . 3 1 1 A 90 90 SER H H 90 8.094 7.852 0.242 1
1 1052 . 3 1 1 A 90 90 SER HA H 90 4.484 4.815 -0.331 1
1 1055 . 3 1 1 A 90 90 SER C C 90 172.813 172.547 0.266 1
1 1056 . 3 1 1 A 90 90 SER CA C 90 58.552 57.783 0.769 1
1 1057 . 3 1 1 A 90 90 SER CB C 90 63.915 65.996 -2.081 1
1 1058 . 3 1 1 A 90 90 SER N N 90 116.620 113.974 2.646 1
1 1059 . 3 1 1 A 91 91 ARG H H 91 8.285 8.765 -0.480 1
1 1060 . 3 1 1 A 91 91 ARG HA H 91 4.725 5.313 -0.588 1
1 1067 . 3 1 1 A 91 91 ARG C C 91 175.511 175.417 0.094 1
1 1068 . 3 1 1 A 91 91 ARG CA C 91 55.870 54.352 1.518 1
1 1069 . 3 1 1 A 91 91 ARG CB C 91 32.058 32.566 -0.508 1
1 1072 . 3 1 1 A 91 91 ARG N N 91 121.045 126.340 -5.295 1
1 1073 . 3 1 1 A 92 92 LEU H H 92 8.485 9.349 -0.864 1
1 1074 . 3 1 1 A 92 92 LEU HA H 92 4.555 4.866 -0.311 1
1 1084 . 3 1 1 A 92 92 LEU C C 92 174.815 175.867 -1.052 1
1 1085 . 3 1 1 A 92 92 LEU CA C 92 53.629 53.753 -0.124 1
1 1086 . 3 1 1 A 92 92 LEU CB C 92 44.066 43.468 0.598 1
1 1090 . 3 1 1 A 92 92 LEU N N 92 123.633 121.262 2.371 1
1 1091 . 3 1 1 A 93 93 HIS H H 93 8.871 9.041 -0.170 1
1 1092 . 3 1 1 A 93 93 HIS HA H 93 5.135 4.921 0.214 1
1 1097 . 3 1 1 A 93 93 HIS C C 93 173.251 174.780 -1.529 1
1 1098 . 3 1 1 A 93 93 HIS CA C 93 56.135 55.873 0.262 1
1 1099 . 3 1 1 A 93 93 HIS CB C 93 30.701 28.837 1.864 1
1 1101 . 3 1 1 A 93 93 HIS N N 93 124.492 123.955 0.537 1
1 1102 . 3 1 1 A 94 94 LEU H H 94 9.105 9.258 -0.153 1
1 1103 . 3 1 1 A 94 94 LEU HA H 94 5.940 5.659 0.281 1
1 1113 . 3 1 1 A 94 94 LEU C C 94 177.396 175.661 1.735 1
1 1114 . 3 1 1 A 94 94 LEU CA C 94 52.552 53.210 -0.658 1
1 1115 . 3 1 1 A 94 94 LEU CB C 94 45.465 45.682 -0.217 1
1 1119 . 3 1 1 A 94 94 LEU N N 94 122.911 124.917 -2.006 1
1 1120 . 3 1 1 A 95 95 CYS H H 95 8.953 8.508 0.445 1
1 1121 . 3 1 1 A 95 95 CYS HA H 95 4.863 4.973 -0.110 1
1 1124 . 3 1 1 A 95 95 CYS C C 95 172.585 173.564 -0.979 1
1 1125 . 3 1 1 A 95 95 CYS CA C 95 59.964 58.301 1.663 1
1 1126 . 3 1 1 A 95 95 CYS CB C 95 29.220 30.740 -1.520 1
1 1127 . 3 1 1 A 95 95 CYS N N 95 118.920 118.366 0.554 1
1 1128 . 3 1 1 A 96 96 ALA H H 96 9.465 8.806 0.659 1
1 1129 . 3 1 1 A 96 96 ALA HA H 96 5.035 4.718 0.317 1
1 1133 . 3 1 1 A 96 96 ALA C C 96 177.396 178.090 -0.694 1
1 1134 . 3 1 1 A 96 96 ALA CA C 96 50.205 51.064 -0.859 1
1 1135 . 3 1 1 A 96 96 ALA CB C 96 21.571 20.927 0.644 1
1 1136 . 3 1 1 A 96 96 ALA N N 96 132.924 129.076 3.848 1
1 1137 . 3 1 1 A 97 97 GLU H H 97 9.636 8.668 0.968 1
1 1138 . 3 1 1 A 97 97 GLU HA H 97 4.344 4.330 0.014 1
1 1143 . 3 1 1 A 97 97 GLU C C 97 176.882 176.587 0.295 1
1 1144 . 3 1 1 A 97 97 GLU CA C 97 58.040 59.099 -1.059 1
1 1145 . 3 1 1 A 97 97 GLU CB C 97 30.207 31.183 -0.976 1
1 1147 . 3 1 1 A 97 97 GLU N N 97 116.636 119.022 -2.386 1
1 1148 . 3 1 1 A 98 98 THR H H 98 7.155 7.643 -0.488 1
1 1149 . 3 1 1 A 98 98 THR HA H 98 4.684 4.705 -0.021 1
1 1154 . 3 1 1 A 98 98 THR C C 98 174.259 175.066 -0.807 1
1 1155 . 3 1 1 A 98 98 THR CA C 98 58.323 59.541 -1.218 1
1 1156 . 3 1 1 A 98 98 THR CB C 98 73.529 72.475 1.054 1
1 1158 . 3 1 1 A 98 98 THR N N 98 102.167 111.252 -9.085 1
1 1159 . 3 1 1 A 99 99 ARG H H 99 9.025 8.738 0.287 1
1 1160 . 3 1 1 A 99 99 ARG HA H 99 4.056 4.082 -0.026 1
1 1167 . 3 1 1 A 99 99 ARG C C 99 177.995 177.324 0.671 1
1 1168 . 3 1 1 A 99 99 ARG CA C 99 59.029 58.866 0.163 1
1 1169 . 3 1 1 A 99 99 ARG CB C 99 30.208 29.668 0.540 1
1 1172 . 3 1 1 A 99 99 ARG N N 99 122.747 122.592 0.155 1
1 1173 . 3 1 1 A 100 100 ASP H H 100 8.387 8.237 0.150 1
1 1174 . 3 1 1 A 100 100 ASP HA H 100 4.306 4.371 -0.065 1
1 1177 . 3 1 1 A 100 100 ASP C C 100 179.110 178.460 0.650 1
1 1178 . 3 1 1 A 100 100 ASP CA C 100 57.475 57.096 0.379 1
1 1179 . 3 1 1 A 100 100 ASP CB C 100 40.201 40.697 -0.496 1
1 1180 . 3 1 1 A 100 100 ASP N N 100 116.422 119.670 -3.248 1
1 1181 . 3 1 1 A 101 101 ASP H H 101 8.046 7.733 0.313 1
1 1182 . 3 1 1 A 101 101 ASP HA H 101 4.576 4.298 0.278 1
1 1185 . 3 1 1 A 101 101 ASP C C 101 177.751 178.278 -0.527 1
1 1186 . 3 1 1 A 101 101 ASP CA C 101 57.229 57.969 -0.740 1
1 1187 . 3 1 1 A 101 101 ASP CB C 101 42.093 41.476 0.617 1
1 1188 . 3 1 1 A 101 101 ASP N N 101 120.742 119.924 0.818 1
1 1189 . 3 1 1 A 102 102 ALA H H 102 7.674 7.741 -0.067 1
1 1190 . 3 1 1 A 102 102 ALA HA H 102 4.084 4.202 -0.118 1
1 1194 . 3 1 1 A 102 102 ALA C C 102 179.609 180.045 -0.436 1
1 1195 . 3 1 1 A 102 102 ALA CA C 102 56.364 55.294 1.070 1
1 1196 . 3 1 1 A 102 102 ALA CB C 102 17.952 18.501 -0.549 1
1 1197 . 3 1 1 A 102 102 ALA N N 102 122.523 121.361 1.162 1
1 1198 . 3 1 1 A 103 103 ILE H H 103 8.499 7.843 0.656 1
1 1199 . 3 1 1 A 103 103 ILE HA H 103 3.681 3.717 -0.036 1
1 1209 . 3 1 1 A 103 103 ILE C C 103 178.622 177.814 0.808 1
1 1210 . 3 1 1 A 103 103 ILE CA C 103 64.182 65.243 -1.061 1
1 1211 . 3 1 1 A 103 103 ILE CB C 103 37.240 37.611 -0.371 1
1 1215 . 3 1 1 A 103 103 ILE N N 103 117.417 118.208 -0.791 1
1 1216 . 3 1 1 A 104 104 ALA H H 104 8.174 8.627 -0.453 1
1 1217 . 3 1 1 A 104 104 ALA HA H 104 4.095 4.033 0.062 1
1 1221 . 3 1 1 A 104 104 ALA C C 104 181.998 179.368 2.630 1
1 1222 . 3 1 1 A 104 104 ALA CA C 104 55.517 55.030 0.487 1
1 1223 . 3 1 1 A 104 104 ALA CB C 104 17.294 18.171 -0.877 1
1 1224 . 3 1 1 A 104 104 ALA N N 104 124.916 122.111 2.805 1
1 1225 . 3 1 1 A 105 105 TRP H H 105 8.365 8.020 0.345 1
1 1226 . 3 1 1 A 105 105 TRP HA H 105 4.025 4.414 -0.389 1
1 1235 . 3 1 1 A 105 105 TRP C C 105 177.969 178.689 -0.720 1
1 1236 . 3 1 1 A 105 105 TRP CA C 105 62.011 60.066 1.945 1
1 1237 . 3 1 1 A 105 105 TRP CB C 105 29.179 29.070 0.109 1
1 1243 . 3 1 1 A 105 105 TRP N N 105 119.726 118.451 1.275 1
1 1245 . 3 1 1 A 106 106 LYS H H 106 8.746 7.862 0.884 1
1 1246 . 3 1 1 A 106 106 LYS HA H 106 3.805 4.133 -0.328 1
1 1255 . 3 1 1 A 106 106 LYS C C 106 177.626 179.060 -1.434 1
1 1256 . 3 1 1 A 106 106 LYS CA C 106 60.865 59.460 1.405 1
1 1257 . 3 1 1 A 106 106 LYS CB C 106 31.606 32.025 -0.419 1
1 1261 . 3 1 1 A 106 106 LYS N N 106 120.565 120.344 0.221 1
1 1262 . 3 1 1 A 107 107 THR H H 107 8.714 7.761 0.953 1
1 1263 . 3 1 1 A 107 107 THR HA H 107 3.774 3.872 -0.098 1
1 1268 . 3 1 1 A 107 107 THR C C 107 176.238 176.058 0.180 1
1 1269 . 3 1 1 A 107 107 THR CA C 107 66.688 66.728 -0.040 1
1 1270 . 3 1 1 A 107 107 THR CB C 107 69.065 68.620 0.445 1
1 1272 . 3 1 1 A 107 107 THR N N 107 115.018 117.858 -2.840 1
1 1273 . 3 1 1 A 108 108 ALA H H 108 7.769 7.842 -0.073 1
1 1274 . 3 1 1 A 108 108 ALA HA H 108 4.094 4.023 0.071 1
1 1278 . 3 1 1 A 108 108 ALA C C 108 180.611 179.794 0.817 1
1 1279 . 3 1 1 A 108 108 ALA CA C 108 55.005 54.989 0.016 1
1 1280 . 3 1 1 A 108 108 ALA CB C 108 18.015 18.117 -0.102 1
1 1281 . 3 1 1 A 108 108 ALA N N 108 123.150 123.635 -0.485 1
1 1282 . 3 1 1 A 109 109 LEU H H 109 8.795 8.306 0.489 1
1 1283 . 3 1 1 A 109 109 LEU HA H 109 4.045 4.166 -0.121 1
1 1293 . 3 1 1 A 109 109 LEU C C 109 178.758 179.094 -0.336 1
1 1294 . 3 1 1 A 109 109 LEU CA C 109 58.093 57.670 0.423 1
1 1295 . 3 1 1 A 109 109 LEU CB C 109 42.298 42.064 0.234 1
1 1299 . 3 1 1 A 109 109 LEU N N 109 118.714 120.428 -1.714 1
1 1300 . 3 1 1 A 110 110 MET H H 110 8.582 8.546 0.036 1
1 1301 . 3 1 1 A 110 110 MET HA H 110 4.404 4.074 0.330 1
1 1309 . 3 1 1 A 110 110 MET C C 110 180.290 178.738 1.552 1
1 1310 . 3 1 1 A 110 110 MET CA C 110 56.876 58.928 -2.052 1
1 1311 . 3 1 1 A 110 110 MET CB C 110 30.002 32.550 -2.548 1
1 1314 . 3 1 1 A 110 110 MET N N 110 117.122 116.652 0.470 1
1 1315 . 3 1 1 A 111 111 GLU H H 111 8.062 8.015 0.047 1
1 1316 . 3 1 1 A 111 111 GLU HA H 111 4.126 4.018 0.108 1
1 1321 . 3 1 1 A 111 111 GLU C C 111 179.237 178.661 0.576 1
1 1322 . 3 1 1 A 111 111 GLU CA C 111 59.435 58.953 0.482 1
1 1323 . 3 1 1 A 111 111 GLU CB C 111 29.015 29.541 -0.526 1
1 1325 . 3 1 1 A 111 111 GLU N N 111 121.532 118.822 2.710 1
1 1326 . 3 1 1 A 112 112 ALA H H 112 7.975 7.666 0.309 1
1 1327 . 3 1 1 A 112 112 ALA HA H 112 4.265 4.053 0.212 1
1 1331 . 3 1 1 A 112 112 ALA C C 112 179.608 179.656 -0.048 1
1 1332 . 3 1 1 A 112 112 ALA CA C 112 54.158 54.863 -0.705 1
1 1333 . 3 1 1 A 112 112 ALA CB C 112 19.530 18.494 1.036 1
1 1334 . 3 1 1 A 112 112 ALA N N 112 121.838 122.476 -0.638 1
1 1335 . 3 1 1 A 113 113 ASN H H 113 8.115 8.437 -0.322 1
1 1336 . 3 1 1 A 113 113 ASN HA H 113 4.822 4.639 0.183 1
1 1341 . 3 1 1 A 113 113 ASN C C 113 176.296 175.932 0.364 1
1 1342 . 3 1 1 A 113 113 ASN CA C 113 56.311 56.164 0.147 1
1 1343 . 3 1 1 A 113 113 ASN CB C 113 40.283 38.908 1.375 1
1 1344 . 3 1 1 A 113 113 ASN N N 113 115.563 118.081 -2.518 1
1 1346 . 3 1 1 A 114 114 SER H H 114 7.365 7.786 -0.421 1
1 1347 . 3 1 1 A 114 114 SER HA H 114 4.545 4.469 0.076 1
1 1350 . 3 1 1 A 114 114 SER C C 114 174.126 172.564 1.562 1
1 1351 . 3 1 1 A 114 114 SER CA C 114 58.464 57.035 1.429 1
1 1352 . 3 1 1 A 114 114 SER CB C 114 64.400 64.096 0.304 1
1 1353 . 3 1 1 A 114 114 SER N N 114 108.652 112.725 -4.073 1
1 1354 . 3 1 1 A 115 115 THR H H 115 7.849 7.251 0.598 1
1 1355 . 3 1 1 A 115 115 THR HA H 115 4.599 4.934 -0.335 1
1 1360 . 3 1 1 A 115 115 THR C C 115 172.337 172.264 0.073 1
1 1361 . 3 1 1 A 115 115 THR CA C 115 60.817 59.137 1.680 1
1 1362 . 3 1 1 A 115 115 THR CB C 115 70.016 71.455 -1.439 1
1 1364 . 3 1 1 A 115 115 THR N N 115 118.885 117.237 1.648 1
1 1365 . 3 1 1 A 116 116 PRO HA H 116 4.404 4.540 -0.136 1
1 1372 . 3 1 1 A 116 116 PRO CA C 116 63.007 62.362 0.645 1
1 1373 . 3 1 1 A 116 116 PRO CB C 116 32.346 33.325 -0.979 1
1 1376 . 3 1 1 A 117 117 ALA H H 117 8.429 8.255 0.174 1
1 1377 . 3 1 1 A 117 117 ALA HA H 117 4.535 4.830 -0.295 1
1 1381 . 3 1 1 A 117 117 ALA CA C 117 50.359 48.939 1.420 1
1 1382 . 3 1 1 A 117 117 ALA CB C 117 18.069 21.399 -3.330 1
1 1383 . 3 1 1 A 117 117 ALA N N 117 125.693 121.957 3.736 1
1 1384 . 3 1 1 A 118 118 PRO HA H 118 4.377 4.532 -0.155 1
1 1391 . 3 1 1 A 118 118 PRO C C 118 176.656 176.315 0.341 1
1 1392 . 3 1 1 A 118 118 PRO CA C 118 63.105 64.171 -1.066 1
1 1393 . 3 1 1 A 118 118 PRO CB C 118 31.935 31.754 0.181 1
1 1396 . 3 1 1 A 119 119 ALA H H 119 8.430 7.666 0.764 1
1 1397 . 3 1 1 A 119 119 ALA HA H 119 4.255 4.556 -0.301 1
1 1401 . 3 1 1 A 119 119 ALA C C 119 178.416 177.160 1.256 1
1 1402 . 3 1 1 A 119 119 ALA CA C 119 52.744 52.078 0.666 1
1 1403 . 3 1 1 A 119 119 ALA CB C 119 19.186 20.422 -1.236 1
1 1404 . 3 1 1 A 119 119 ALA N N 119 124.565 120.777 3.788 1
1 1405 . 3 1 1 A 120 120 GLY H H 120 8.375 8.488 -0.113 1
1 1406 . 3 1 1 A 120 120 GLY HA2 H 120 3.934 4.178 -0.244 1
1 1407 . 3 1 1 A 120 120 GLY HA3 H 120 3.934 4.178 -0.244 1
1 1408 . 3 1 1 A 120 120 GLY C C 120 173.810 173.043 0.767 1
1 1409 . 3 1 1 A 120 120 GLY CA C 120 45.176 44.278 0.898 1
1 1410 . 3 1 1 A 120 120 GLY N N 120 108.353 106.337 2.016 1
1 1411 . 3 1 1 A 121 121 ALA H H 121 8.116 8.260 -0.144 1
1 1412 . 3 1 1 A 121 121 ALA HA H 121 4.379 4.243 0.136 1
1 1416 . 3 1 1 A 121 121 ALA C C 121 177.908 176.971 0.937 1
1 1417 . 3 1 1 A 121 121 ALA CA C 121 52.446 52.445 0.001 1
1 1418 . 3 1 1 A 121 121 ALA CB C 121 19.433 18.946 0.487 1
1 1419 . 3 1 1 A 121 121 ALA N N 121 123.561 124.292 -0.731 1
1 1420 . 3 1 1 A 122 122 THR H H 122 8.212 8.957 -0.745 1
1 1421 . 3 1 1 A 122 122 THR C C 122 174.317 174.628 -0.311 1
1 1422 . 3 1 1 A 122 122 THR CA C 122 61.888 62.083 -0.195 1
1 1423 . 3 1 1 A 122 122 THR CB C 122 69.648 68.893 0.755 1
1 1425 . 3 1 1 A 122 122 THR N N 122 114.319 120.094 -5.775 1
1 1426 . 3 1 1 A 123 123 VAL H H 123 8.222 8.490 -0.268 1
1 1427 . 3 1 1 A 123 123 VAL HA H 123 4.455 4.640 -0.185 1
1 1435 . 3 1 1 A 123 123 VAL C C 123 174.373 175.605 -1.232 1
1 1436 . 3 1 1 A 123 123 VAL CA C 123 59.717 59.817 -0.100 1
1 1437 . 3 1 1 A 123 123 VAL CB C 123 32.593 32.420 0.173 1
1 1440 . 3 1 1 A 123 123 VAL N N 123 124.311 126.220 -1.909 1
1 1441 . 3 1 1 A 124 124 PRO HA H 124 4.403 4.455 -0.052 1
1 1446 . 3 1 1 A 124 124 PRO C C 124 176.873 176.459 0.414 1
1 1447 . 3 1 1 A 124 124 PRO CA C 124 63.211 64.642 -1.431 1
1 1448 . 3 1 1 A 124 124 PRO CB C 124 32.017 32.248 -0.231 1
1 1451 . 3 1 1 A 125 125 SER H H 125 8.426 7.507 0.919 1
1 1452 . 3 1 1 A 125 125 SER HA H 125 4.448 4.691 -0.243 1
1 1455 . 3 1 1 A 125 125 SER C C 125 174.598 172.899 1.699 1
1 1456 . 3 1 1 A 125 125 SER CA C 125 58.341 56.959 1.382 1
1 1457 . 3 1 1 A 125 125 SER CB C 125 64.054 65.416 -1.362 1
1 1458 . 3 1 1 A 125 125 SER N N 125 116.463 111.616 4.847 1
1 1459 . 3 1 1 A 126 126 GLY H H 126 8.233 8.394 -0.161 1
1 1460 . 3 1 1 A 126 126 GLY C C 126 171.756 174.191 -2.435 1
1 1461 . 3 1 1 A 126 126 GLY CA C 126 44.611 45.358 -0.747 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.445 4.424 0.021 1
1 4 . 4 1 1 A 6 6 SER C C 6 174.707 175.104 -0.397 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.482 58.445 0.037 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.848 64.214 -0.366 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.494 8.844 -0.350 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 4.105 4.129 -0.024 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 4.105 4.155 -0.050 1
1 10 . 4 1 1 A 7 7 GLY C C 7 172.961 174.141 -1.180 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.864 45.510 0.354 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.325 109.288 1.037 1
1 13 . 4 1 1 A 8 8 LEU H H 8 8.295 7.863 0.432 1
1 14 . 4 1 1 A 8 8 LEU HA H 8 4.268 4.644 -0.376 1
1 24 . 4 1 1 A 8 8 LEU C C 8 176.773 176.043 0.730 1
1 25 . 4 1 1 A 8 8 LEU CA C 8 55.587 54.460 1.127 1
1 26 . 4 1 1 A 8 8 LEU CB C 8 43.367 43.358 0.009 1
1 30 . 4 1 1 A 8 8 LEU N N 8 123.800 123.071 0.729 1
1 31 . 4 1 1 A 9 9 VAL H H 9 9.290 8.965 0.325 1
1 32 . 4 1 1 A 9 9 VAL HA H 9 3.826 3.986 -0.160 1
1 40 . 4 1 1 A 9 9 VAL C C 9 176.540 176.021 0.519 1
1 41 . 4 1 1 A 9 9 VAL CA C 9 64.888 64.037 0.851 1
1 42 . 4 1 1 A 9 9 VAL CB C 9 32.264 32.396 -0.132 1
1 45 . 4 1 1 A 9 9 VAL N N 9 129.415 126.818 2.597 1
1 46 . 4 1 1 A 10 10 ARG H H 10 7.135 7.506 -0.371 1
1 47 . 4 1 1 A 10 10 ARG HA H 10 4.126 4.603 -0.477 1
1 55 . 4 1 1 A 10 10 ARG C C 10 171.942 174.391 -2.449 1
1 56 . 4 1 1 A 10 10 ARG CA C 10 55.800 55.005 0.795 1
1 57 . 4 1 1 A 10 10 ARG CB C 10 32.223 33.629 -1.406 1
1 60 . 4 1 1 A 10 10 ARG N N 10 117.246 117.595 -0.349 1
1 62 . 4 1 1 A 11 11 GLY H H 11 8.390 8.554 -0.164 1
1 63 . 4 1 1 A 11 11 GLY HA2 H 11 3.204 3.974 -0.770 1
1 64 . 4 1 1 A 11 11 GLY HA3 H 11 5.336 4.375 0.961 1
1 65 . 4 1 1 A 11 11 GLY C C 11 172.895 172.893 0.002 1
1 66 . 4 1 1 A 11 11 GLY CA C 11 43.481 44.481 -1.000 1
1 67 . 4 1 1 A 11 11 GLY N N 11 113.527 110.556 2.971 1
1 68 . 4 1 1 A 12 12 GLY H H 12 7.935 8.296 -0.361 1
1 69 . 4 1 1 A 12 12 GLY C C 12 171.502 172.075 -0.573 1
1 70 . 4 1 1 A 12 12 GLY CA C 12 46.093 46.106 -0.013 1
1 71 . 4 1 1 A 13 13 TRP H H 13 8.904 8.933 -0.029 1
1 72 . 4 1 1 A 13 13 TRP HA H 13 5.205 4.976 0.229 1
1 81 . 4 1 1 A 13 13 TRP C C 13 177.926 176.655 1.271 1
1 82 . 4 1 1 A 13 13 TRP CA C 13 57.846 58.300 -0.454 1
1 83 . 4 1 1 A 13 13 TRP CB C 13 30.290 30.794 -0.504 1
1 89 . 4 1 1 A 13 13 TRP N N 13 121.758 122.318 -0.560 1
1 91 . 4 1 1 A 14 14 LEU H H 14 9.295 9.162 0.133 1
1 92 . 4 1 1 A 14 14 LEU HA H 14 4.683 4.923 -0.240 1
1 102 . 4 1 1 A 14 14 LEU C C 14 175.828 175.831 -0.003 1
1 103 . 4 1 1 A 14 14 LEU CA C 14 54.670 53.460 1.210 1
1 104 . 4 1 1 A 14 14 LEU CB C 14 47.562 45.244 2.318 1
1 108 . 4 1 1 A 14 14 LEU N N 14 123.447 124.047 -0.600 1
1 109 . 4 1 1 A 15 15 TRP H H 15 8.655 9.226 -0.571 1
1 110 . 4 1 1 A 15 15 TRP HA H 15 5.315 5.171 0.144 1
1 119 . 4 1 1 A 15 15 TRP C C 15 175.899 175.869 0.030 1
1 120 . 4 1 1 A 15 15 TRP CA C 15 57.159 57.299 -0.140 1
1 121 . 4 1 1 A 15 15 TRP CB C 15 30.759 30.414 0.345 1
1 127 . 4 1 1 A 15 15 TRP N N 15 119.571 124.558 -4.987 1
1 129 . 4 1 1 A 16 16 ARG H H 16 10.145 9.383 0.762 1
1 130 . 4 1 1 A 16 16 ARG HA H 16 5.495 5.386 0.109 1
1 138 . 4 1 1 A 16 16 ARG C C 16 174.930 173.739 1.191 1
1 139 . 4 1 1 A 16 16 ARG CA C 16 54.334 54.022 0.312 1
1 140 . 4 1 1 A 16 16 ARG CB C 16 34.808 34.004 0.804 1
1 143 . 4 1 1 A 16 16 ARG N N 16 121.997 125.651 -3.654 1
1 145 . 4 1 1 A 17 17 GLN H H 17 8.233 8.239 -0.006 1
1 146 . 4 1 1 A 17 17 GLN HA H 17 3.797 5.106 -1.309 1
1 153 . 4 1 1 A 17 17 GLN C C 17 175.654 175.209 0.445 1
1 154 . 4 1 1 A 17 17 GLN CA C 17 55.446 53.532 1.914 1
1 155 . 4 1 1 A 17 17 GLN CB C 17 29.056 31.075 -2.019 1
1 157 . 4 1 1 A 17 17 GLN N N 17 128.414 126.332 2.082 1
1 159 . 4 1 1 A 18 18 SER H H 18 8.635 8.611 0.024 1
1 160 . 4 1 1 A 18 18 SER HA H 18 4.575 4.581 -0.006 1
1 163 . 4 1 1 A 18 18 SER C C 18 175.585 174.443 1.142 1
1 164 . 4 1 1 A 18 18 SER CA C 18 57.246 57.827 -0.581 1
1 165 . 4 1 1 A 18 18 SER CB C 18 64.012 64.455 -0.443 1
1 166 . 4 1 1 A 18 18 SER N N 18 122.600 121.721 0.879 1
1 167 . 4 1 1 A 20 20 ILE H H 20 7.976 7.871 0.105 1
1 168 . 4 1 1 A 20 20 ILE HA H 20 4.036 3.846 0.190 1
1 178 . 4 1 1 A 20 20 ILE C C 20 176.929 178.590 -1.661 1
1 179 . 4 1 1 A 20 20 ILE CA C 20 62.929 64.242 -1.313 1
1 180 . 4 1 1 A 20 20 ILE CB C 20 37.912 38.195 -0.283 1
1 184 . 4 1 1 A 20 20 ILE N N 20 120.700 121.083 -0.383 1
1 185 . 4 1 1 A 21 21 LEU H H 21 8.089 7.734 0.355 1
1 186 . 4 1 1 A 21 21 LEU HA H 21 4.159 4.163 -0.004 1
1 196 . 4 1 1 A 21 21 LEU C C 21 176.455 176.399 0.056 1
1 197 . 4 1 1 A 21 21 LEU CA C 21 55.287 55.575 -0.288 1
1 198 . 4 1 1 A 21 21 LEU CB C 21 42.051 41.683 0.368 1
1 202 . 4 1 1 A 21 21 LEU N N 21 119.540 119.336 0.204 1
1 203 . 4 1 1 A 22 22 ARG H H 22 7.687 7.737 -0.050 1
1 204 . 4 1 1 A 22 22 ARG HA H 22 3.806 3.765 0.041 1
1 211 . 4 1 1 A 22 22 ARG C C 22 175.087 174.132 0.955 1
1 212 . 4 1 1 A 22 22 ARG CA C 22 56.788 57.248 -0.460 1
1 213 . 4 1 1 A 22 22 ARG CB C 22 27.130 27.381 -0.251 1
1 216 . 4 1 1 A 22 22 ARG N N 22 114.383 116.477 -2.094 1
1 217 . 4 1 1 A 23 23 ARG H H 23 7.392 7.619 -0.227 1
1 218 . 4 1 1 A 23 23 ARG HA H 23 4.603 4.882 -0.279 1
1 225 . 4 1 1 A 23 23 ARG C C 23 176.112 174.729 1.383 1
1 226 . 4 1 1 A 23 23 ARG CA C 23 54.846 54.326 0.520 1
1 227 . 4 1 1 A 23 23 ARG CB C 23 32.387 33.534 -1.147 1
1 230 . 4 1 1 A 23 23 ARG N N 23 115.846 117.943 -2.097 1
1 231 . 4 1 1 A 24 24 TRP H H 24 9.013 8.983 0.030 1
1 232 . 4 1 1 A 24 24 TRP HA H 24 5.154 5.390 -0.236 1
1 241 . 4 1 1 A 24 24 TRP C C 24 176.347 176.431 -0.084 1
1 242 . 4 1 1 A 24 24 TRP CA C 24 57.546 56.951 0.595 1
1 243 . 4 1 1 A 24 24 TRP CB C 24 31.112 31.000 0.112 1
1 249 . 4 1 1 A 24 24 TRP N N 24 123.861 124.497 -0.636 1
1 251 . 4 1 1 A 25 25 LYS H H 25 9.553 9.881 -0.328 1
1 252 . 4 1 1 A 25 25 LYS HA H 25 4.992 5.430 -0.438 1
1 261 . 4 1 1 A 25 25 LYS C C 25 173.887 175.250 -1.363 1
1 262 . 4 1 1 A 25 25 LYS CA C 25 55.023 54.996 0.027 1
1 263 . 4 1 1 A 25 25 LYS CB C 25 35.965 36.328 -0.363 1
1 267 . 4 1 1 A 25 25 LYS N N 25 123.241 119.969 3.272 1
1 268 . 4 1 1 A 26 26 ARG H H 26 8.705 8.597 0.108 1
1 269 . 4 1 1 A 26 26 ARG HA H 26 4.494 4.231 0.263 1
1 276 . 4 1 1 A 26 26 ARG C C 26 175.755 176.388 -0.633 1
1 277 . 4 1 1 A 26 26 ARG CA C 26 56.046 56.165 -0.119 1
1 278 . 4 1 1 A 26 26 ARG CB C 26 30.783 30.539 0.244 1
1 281 . 4 1 1 A 26 26 ARG N N 26 124.843 122.573 2.270 1
1 282 . 4 1 1 A 27 27 ASN H H 27 9.100 8.879 0.221 1
1 283 . 4 1 1 A 27 27 ASN HA H 27 5.235 5.181 0.054 1
1 288 . 4 1 1 A 27 27 ASN CA C 27 54.041 52.047 1.994 1
1 289 . 4 1 1 A 27 27 ASN CB C 27 46.737 42.561 4.176 1
1 290 . 4 1 1 A 27 27 ASN N N 27 123.044 120.968 2.076 1
1 292 . 4 1 1 A 28 28 TRP H H 28 7.835 8.752 -0.917 1
1 293 . 4 1 1 A 28 28 TRP HA H 28 4.105 4.517 -0.412 1
1 299 . 4 1 1 A 28 28 TRP N N 28 122.540 125.778 -3.238 1
1 300 . 4 1 1 A 29 29 PHE H H 29 8.755 8.454 0.301 1
1 301 . 4 1 1 A 29 29 PHE HA H 29 5.001 4.873 0.128 1
1 309 . 4 1 1 A 29 29 PHE CA C 29 56.692 57.084 -0.392 1
1 310 . 4 1 1 A 29 29 PHE CB C 29 42.284 39.684 2.600 1
1 316 . 4 1 1 A 29 29 PHE N N 29 129.716 126.588 3.128 1
1 317 . 4 1 1 A 30 30 ALA H H 30 8.695 8.663 0.032 1
1 321 . 4 1 1 A 30 30 ALA C C 30 173.958 174.448 -0.490 1
1 322 . 4 1 1 A 30 30 ALA CA C 30 50.611 49.649 0.962 1
1 323 . 4 1 1 A 30 30 ALA CB C 30 22.570 21.813 0.757 1
1 324 . 4 1 1 A 31 31 LEU H H 31 8.815 8.524 0.291 1
1 325 . 4 1 1 A 31 31 LEU HA H 31 5.003 4.877 0.126 1
1 335 . 4 1 1 A 31 31 LEU C C 31 174.414 174.365 0.049 1
1 336 . 4 1 1 A 31 31 LEU CA C 31 53.240 53.246 -0.006 1
1 337 . 4 1 1 A 31 31 LEU CB C 31 44.783 44.999 -0.216 1
1 341 . 4 1 1 A 31 31 LEU N N 31 124.610 123.287 1.323 1
1 342 . 4 1 1 A 32 32 TRP H H 32 9.045 8.642 0.403 1
1 343 . 4 1 1 A 32 32 TRP HA H 32 5.499 5.418 0.081 1
1 352 . 4 1 1 A 32 32 TRP C C 32 178.871 177.248 1.623 1
1 353 . 4 1 1 A 32 32 TRP CA C 32 55.552 56.194 -0.642 1
1 354 . 4 1 1 A 32 32 TRP CB C 32 32.346 31.883 0.463 1
1 360 . 4 1 1 A 32 32 TRP N N 32 128.500 127.197 1.303 1
1 362 . 4 1 1 A 33 33 LEU H H 33 9.246 9.141 0.105 1
1 363 . 4 1 1 A 33 33 LEU HA H 33 4.075 4.114 -0.039 1
1 373 . 4 1 1 A 33 33 LEU C C 33 176.859 178.449 -1.590 1
1 374 . 4 1 1 A 33 33 LEU CA C 33 57.035 57.798 -0.763 1
1 375 . 4 1 1 A 33 33 LEU CB C 33 42.651 41.326 1.325 1
1 379 . 4 1 1 A 33 33 LEU N N 33 123.838 125.913 -2.075 1
1 380 . 4 1 1 A 34 34 ASP H H 34 7.536 7.981 -0.445 1
1 381 . 4 1 1 A 34 34 ASP HA H 34 4.395 4.568 -0.173 1
1 384 . 4 1 1 A 34 34 ASP C C 34 177.113 176.681 0.432 1
1 385 . 4 1 1 A 34 34 ASP CA C 34 53.805 54.295 -0.490 1
1 386 . 4 1 1 A 34 34 ASP CB C 34 39.625 41.104 -1.479 1
1 387 . 4 1 1 A 34 34 ASP N N 34 115.948 116.580 -0.632 1
1 388 . 4 1 1 A 35 35 GLY H H 35 8.264 8.872 -0.608 1
1 389 . 4 1 1 A 35 35 GLY HA2 H 35 4.205 4.003 0.202 1
1 390 . 4 1 1 A 35 35 GLY HA3 H 35 3.895 4.038 -0.143 1
1 391 . 4 1 1 A 35 35 GLY C C 35 173.898 173.901 -0.003 1
1 392 . 4 1 1 A 35 35 GLY CA C 35 46.216 46.320 -0.104 1
1 393 . 4 1 1 A 35 35 GLY N N 35 106.508 108.711 -2.203 1
1 394 . 4 1 1 A 36 36 THR H H 36 8.035 7.780 0.255 1
1 395 . 4 1 1 A 36 36 THR HA H 36 5.123 5.085 0.038 1
1 400 . 4 1 1 A 36 36 THR C C 36 170.669 172.923 -2.254 1
1 401 . 4 1 1 A 36 36 THR CA C 36 60.588 59.293 1.295 1
1 402 . 4 1 1 A 36 36 THR CB C 36 72.314 72.634 -0.320 1
1 404 . 4 1 1 A 36 36 THR N N 36 112.047 110.438 1.609 1
1 405 . 4 1 1 A 37 37 LEU H H 37 9.344 9.408 -0.064 1
1 406 . 4 1 1 A 37 37 LEU HA H 37 5.616 5.184 0.432 1
1 416 . 4 1 1 A 37 37 LEU C C 37 175.787 175.394 0.393 1
1 417 . 4 1 1 A 37 37 LEU CA C 37 52.799 53.766 -0.967 1
1 418 . 4 1 1 A 37 37 LEU CB C 37 46.698 44.551 2.147 1
1 422 . 4 1 1 A 37 37 LEU N N 37 122.915 124.596 -1.681 1
1 423 . 4 1 1 A 38 38 GLY H H 38 9.685 8.721 0.964 1
1 424 . 4 1 1 A 38 38 GLY HA2 H 38 5.074 3.977 1.097 1
1 425 . 4 1 1 A 38 38 GLY HA3 H 38 3.825 4.240 -0.415 1
1 426 . 4 1 1 A 38 38 GLY C C 38 172.258 172.113 0.145 1
1 427 . 4 1 1 A 38 38 GLY CA C 38 43.676 44.215 -0.539 1
1 428 . 4 1 1 A 38 38 GLY N N 38 113.092 113.625 -0.533 1
1 429 . 4 1 1 A 39 39 TYR H H 39 7.362 7.769 -0.407 1
1 430 . 4 1 1 A 39 39 TYR HA H 39 5.251 5.631 -0.380 1
1 437 . 4 1 1 A 39 39 TYR C C 39 175.367 173.313 2.054 1
1 438 . 4 1 1 A 39 39 TYR CA C 39 54.282 54.511 -0.229 1
1 439 . 4 1 1 A 39 39 TYR CB C 39 37.774 41.092 -3.318 1
1 444 . 4 1 1 A 39 39 TYR N N 39 113.951 120.177 -6.226 1
1 445 . 4 1 1 A 40 40 TYR H H 40 9.315 8.778 0.537 1
1 446 . 4 1 1 A 40 40 TYR HA H 40 5.305 5.034 0.271 1
1 453 . 4 1 1 A 40 40 TYR C C 40 177.694 176.004 1.690 1
1 454 . 4 1 1 A 40 40 TYR CA C 40 57.185 56.975 0.210 1
1 455 . 4 1 1 A 40 40 TYR CB C 40 43.779 42.993 0.786 1
1 460 . 4 1 1 A 40 40 TYR N N 40 117.930 118.498 -0.568 1
1 461 . 4 1 1 A 41 41 HIS H H 41 8.658 9.185 -0.527 1
1 462 . 4 1 1 A 41 41 HIS HA H 41 4.654 4.684 -0.030 1
1 467 . 4 1 1 A 41 41 HIS C C 41 174.858 174.906 -0.048 1
1 468 . 4 1 1 A 41 41 HIS CA C 41 59.159 58.392 0.767 1
1 469 . 4 1 1 A 41 41 HIS CB C 41 31.094 30.684 0.410 1
1 472 . 4 1 1 A 41 41 HIS N N 41 121.927 120.252 1.675 1
1 473 . 4 1 1 A 42 42 ASP H H 42 8.095 7.960 0.135 1
1 474 . 4 1 1 A 42 42 ASP HA H 42 4.795 4.698 0.097 1
1 477 . 4 1 1 A 42 42 ASP C C 42 175.052 175.745 -0.693 1
1 478 . 4 1 1 A 42 42 ASP CA C 42 53.155 52.957 0.198 1
1 479 . 4 1 1 A 42 42 ASP CB C 42 41.860 43.968 -2.108 1
1 480 . 4 1 1 A 42 42 ASP N N 42 112.020 116.182 -4.162 1
1 481 . 4 1 1 A 43 43 GLU H H 43 8.899 8.662 0.237 1
1 482 . 4 1 1 A 43 43 GLU C C 43 176.336 176.955 -0.619 1
1 483 . 4 1 1 A 43 43 GLU CA C 43 57.021 58.916 -1.895 1
1 484 . 4 1 1 A 43 43 GLU CB C 43 27.493 29.187 -1.694 1
1 485 . 4 1 1 A 43 43 GLU N N 43 116.402 123.626 -7.224 1
1 486 . 4 1 1 A 44 44 THR H H 44 8.093 7.924 0.169 1
1 487 . 4 1 1 A 44 44 THR HA H 44 3.915 4.238 -0.323 1
1 492 . 4 1 1 A 44 44 THR CA C 44 63.143 61.774 1.369 1
1 493 . 4 1 1 A 44 44 THR CB C 44 69.620 68.368 1.252 1
1 495 . 4 1 1 A 44 44 THR N N 44 111.376 112.209 -0.833 1
1 496 . 4 1 1 A 45 45 ALA H H 45 7.815 8.207 -0.392 1
1 497 . 4 1 1 A 45 45 ALA HA H 45 3.430 3.437 -0.007 1
1 501 . 4 1 1 A 45 45 ALA C C 45 175.091 179.379 -4.288 1
1 502 . 4 1 1 A 45 45 ALA CA C 45 53.434 54.040 -0.606 1
1 503 . 4 1 1 A 45 45 ALA CB C 45 15.567 18.350 -2.783 1
1 504 . 4 1 1 A 46 46 GLN H H 46 7.869 8.423 -0.554 1
1 505 . 4 1 1 A 46 46 GLN HA H 46 4.238 4.217 0.021 1
1 512 . 4 1 1 A 46 46 GLN C C 46 176.190 175.951 0.239 1
1 513 . 4 1 1 A 46 46 GLN CA C 46 56.929 57.536 -0.607 1
1 514 . 4 1 1 A 46 46 GLN CB C 46 30.454 27.415 3.039 1
1 516 . 4 1 1 A 46 46 GLN N N 46 115.953 115.870 0.083 1
1 518 . 4 1 1 A 47 47 ASP H H 47 8.326 7.642 0.684 1
1 519 . 4 1 1 A 47 47 ASP HA H 47 4.954 4.884 0.070 1
1 522 . 4 1 1 A 47 47 ASP C C 47 173.846 175.308 -1.462 1
1 523 . 4 1 1 A 47 47 ASP CA C 47 52.993 52.786 0.207 1
1 524 . 4 1 1 A 47 47 ASP CB C 47 41.558 40.941 0.617 1
1 525 . 4 1 1 A 47 47 ASP N N 47 119.830 120.103 -0.273 1
1 526 . 4 1 1 A 48 48 GLU H H 48 8.756 7.787 0.969 1
1 527 . 4 1 1 A 48 48 GLU HA H 48 3.785 3.870 -0.085 1
1 532 . 4 1 1 A 48 48 GLU C C 48 175.892 176.641 -0.749 1
1 533 . 4 1 1 A 48 48 GLU CA C 48 56.470 56.803 -0.333 1
1 534 . 4 1 1 A 48 48 GLU CB C 48 32.264 29.701 2.563 1
1 536 . 4 1 1 A 48 48 GLU N N 48 125.923 120.174 5.749 1
1 537 . 4 1 1 A 49 49 GLU H H 49 8.945 8.273 0.672 1
1 538 . 4 1 1 A 49 49 GLU HA H 49 4.164 4.221 -0.057 1
1 543 . 4 1 1 A 49 49 GLU C C 49 176.040 175.417 0.623 1
1 544 . 4 1 1 A 49 49 GLU CA C 49 58.447 58.360 0.087 1
1 545 . 4 1 1 A 49 49 GLU CB C 49 30.207 30.778 -0.571 1
1 547 . 4 1 1 A 49 49 GLU N N 49 129.751 124.025 5.726 1
1 548 . 4 1 1 A 50 50 ASP H H 50 6.736 7.030 -0.294 1
1 549 . 4 1 1 A 50 50 ASP HA H 50 4.355 4.750 -0.395 1
1 552 . 4 1 1 A 50 50 ASP C C 50 172.562 173.394 -0.832 1
1 553 . 4 1 1 A 50 50 ASP CA C 50 52.729 53.336 -0.607 1
1 554 . 4 1 1 A 50 50 ASP CB C 50 43.737 43.934 -0.197 1
1 555 . 4 1 1 A 50 50 ASP N N 50 113.574 117.098 -3.524 1
1 556 . 4 1 1 A 51 51 ARG H H 51 8.532 8.569 -0.037 1
1 557 . 4 1 1 A 51 51 ARG HA H 51 5.005 4.880 0.125 1
1 565 . 4 1 1 A 51 51 ARG C C 51 174.656 174.463 0.193 1
1 566 . 4 1 1 A 51 51 ARG CA C 51 55.605 55.519 0.086 1
1 567 . 4 1 1 A 51 51 ARG CB C 51 33.520 34.020 -0.500 1
1 570 . 4 1 1 A 51 51 ARG N N 51 117.888 122.529 -4.641 1
1 572 . 4 1 1 A 52 52 VAL H H 52 9.155 9.197 -0.042 1
1 573 . 4 1 1 A 52 52 VAL HA H 52 4.616 5.052 -0.436 1
1 581 . 4 1 1 A 52 52 VAL C C 52 174.710 174.907 -0.197 1
1 582 . 4 1 1 A 52 52 VAL CA C 52 59.382 59.555 -0.173 1
1 583 . 4 1 1 A 52 52 VAL CB C 52 35.266 34.855 0.411 1
1 586 . 4 1 1 A 52 52 VAL N N 52 121.629 121.451 0.178 1
1 587 . 4 1 1 A 53 53 VAL H H 53 8.956 8.985 -0.029 1
1 588 . 4 1 1 A 53 53 VAL HA H 53 3.745 4.254 -0.509 1
1 596 . 4 1 1 A 53 53 VAL C C 53 174.610 175.633 -1.023 1
1 597 . 4 1 1 A 53 53 VAL CA C 53 64.676 62.695 1.981 1
1 598 . 4 1 1 A 53 53 VAL CB C 53 32.305 32.243 0.062 1
1 601 . 4 1 1 A 53 53 VAL N N 53 125.547 123.195 2.352 1
1 602 . 4 1 1 A 54 54 ILE H H 54 8.705 9.117 -0.412 1
1 603 . 4 1 1 A 54 54 ILE HA H 54 4.324 4.286 0.038 1
1 613 . 4 1 1 A 54 54 ILE C C 54 176.747 176.390 0.357 1
1 614 . 4 1 1 A 54 54 ILE CA C 54 58.623 62.926 -4.303 1
1 615 . 4 1 1 A 54 54 ILE CB C 54 36.787 39.400 -2.613 1
1 619 . 4 1 1 A 54 54 ILE N N 54 126.147 126.700 -0.553 1
1 620 . 4 1 1 A 55 55 HIS H H 55 7.913 7.735 0.178 1
1 621 . 4 1 1 A 55 55 HIS HA H 55 4.626 4.236 0.390 1
1 626 . 4 1 1 A 55 55 HIS C C 55 174.365 175.686 -1.321 1
1 627 . 4 1 1 A 55 55 HIS CA C 55 57.917 57.205 0.712 1
1 628 . 4 1 1 A 55 55 HIS CB C 55 29.796 29.670 0.126 1
1 631 . 4 1 1 A 55 55 HIS N N 55 119.790 122.550 -2.760 1
1 632 . 4 1 1 A 56 56 PHE H H 56 9.382 8.589 0.793 1
1 633 . 4 1 1 A 56 56 PHE HA H 56 4.225 4.312 -0.087 1
1 641 . 4 1 1 A 56 56 PHE C C 56 175.781 175.178 0.603 1
1 642 . 4 1 1 A 56 56 PHE CA C 56 57.593 58.371 -0.778 1
1 643 . 4 1 1 A 56 56 PHE CB C 56 36.664 36.417 0.247 1
1 649 . 4 1 1 A 56 56 PHE N N 56 124.614 123.028 1.586 1
1 650 . 4 1 1 A 57 57 ASN H H 57 8.755 7.877 0.878 1
1 651 . 4 1 1 A 57 57 ASN HA H 57 5.319 5.105 0.214 1
1 656 . 4 1 1 A 57 57 ASN C C 57 175.317 175.502 -0.185 1
1 657 . 4 1 1 A 57 57 ASN CA C 57 52.129 53.592 -1.463 1
1 658 . 4 1 1 A 57 57 ASN CB C 57 41.640 41.326 0.314 1
1 659 . 4 1 1 A 57 57 ASN N N 57 114.893 116.284 -1.391 1
1 661 . 4 1 1 A 58 58 VAL H H 58 8.606 7.114 1.492 1
1 662 . 4 1 1 A 58 58 VAL HA H 58 4.138 4.543 -0.405 1
1 670 . 4 1 1 A 58 58 VAL C C 58 175.486 176.202 -0.716 1
1 671 . 4 1 1 A 58 58 VAL CA C 58 63.035 63.031 0.004 1
1 672 . 4 1 1 A 58 58 VAL CB C 58 32.733 31.120 1.613 1
1 675 . 4 1 1 A 58 58 VAL N N 58 121.476 119.444 2.032 1
1 676 . 4 1 1 A 59 59 ARG H H 59 9.233 8.595 0.638 1
1 677 . 4 1 1 A 59 59 ARG HA H 59 4.184 4.235 -0.051 1
1 684 . 4 1 1 A 59 59 ARG C C 59 175.572 175.463 0.109 1
1 685 . 4 1 1 A 59 59 ARG CA C 59 58.093 57.916 0.177 1
1 686 . 4 1 1 A 59 59 ARG CB C 59 31.236 31.371 -0.135 1
1 689 . 4 1 1 A 59 59 ARG N N 59 128.965 129.721 -0.756 1
1 690 . 4 1 1 A 60 60 ASP H H 60 7.745 7.820 -0.075 1
1 691 . 4 1 1 A 60 60 ASP HA H 60 4.485 5.076 -0.591 1
1 694 . 4 1 1 A 60 60 ASP C C 60 173.047 174.220 -1.173 1
1 695 . 4 1 1 A 60 60 ASP CA C 60 53.911 53.411 0.500 1
1 696 . 4 1 1 A 60 60 ASP CB C 60 42.874 44.708 -1.834 1
1 697 . 4 1 1 A 60 60 ASP N N 60 113.170 116.233 -3.063 1
1 698 . 4 1 1 A 61 61 ILE H H 61 8.398 8.511 -0.113 1
1 699 . 4 1 1 A 61 61 ILE HA H 61 5.055 4.914 0.141 1
1 709 . 4 1 1 A 61 61 ILE C C 61 174.897 174.196 0.701 1
1 710 . 4 1 1 A 61 61 ILE CA C 61 60.511 60.567 -0.056 1
1 711 . 4 1 1 A 61 61 ILE CB C 61 41.558 40.813 0.745 1
1 715 . 4 1 1 A 61 61 ILE N N 61 118.375 120.690 -2.315 1
1 716 . 4 1 1 A 62 62 LYS H H 62 8.619 8.622 -0.003 1
1 717 . 4 1 1 A 62 62 LYS HA H 62 4.711 5.245 -0.534 1
1 726 . 4 1 1 A 62 62 LYS C C 62 174.636 175.571 -0.935 1
1 727 . 4 1 1 A 62 62 LYS CA C 62 53.947 54.954 -1.007 1
1 728 . 4 1 1 A 62 62 LYS CB C 62 35.677 35.219 0.458 1
1 732 . 4 1 1 A 62 62 LYS N N 62 128.701 126.885 1.816 1
1 733 . 4 1 1 A 63 63 VAL H H 63 8.946 8.726 0.220 1
1 734 . 4 1 1 A 63 63 VAL HA H 63 5.073 4.524 0.549 1
1 742 . 4 1 1 A 63 63 VAL C C 63 177.772 176.252 1.520 1
1 743 . 4 1 1 A 63 63 VAL CA C 63 59.734 60.879 -1.145 1
1 744 . 4 1 1 A 63 63 VAL CB C 63 36.210 34.615 1.595 1
1 747 . 4 1 1 A 63 63 VAL N N 63 120.053 122.371 -2.318 1
1 748 . 4 1 1 A 64 64 GLY H H 64 9.804 8.600 1.204 1
1 749 . 4 1 1 A 64 64 GLY HA2 H 64 4.415 3.967 0.448 1
1 750 . 4 1 1 A 64 64 GLY HA3 H 64 3.906 3.969 -0.063 1
1 751 . 4 1 1 A 64 64 GLY C C 64 176.864 175.193 1.671 1
1 752 . 4 1 1 A 64 64 GLY CA C 64 47.063 47.041 0.022 1
1 753 . 4 1 1 A 64 64 GLY N N 64 118.354 114.537 3.817 1
1 754 . 4 1 1 A 65 65 GLN H H 65 9.045 8.820 0.225 1
1 755 . 4 1 1 A 65 65 GLN HA H 65 3.944 4.034 -0.090 1
1 762 . 4 1 1 A 65 65 GLN C C 65 176.698 177.943 -1.245 1
1 763 . 4 1 1 A 65 65 GLN CA C 65 57.793 59.198 -1.405 1
1 764 . 4 1 1 A 65 65 GLN CB C 65 27.822 28.738 -0.916 1
1 766 . 4 1 1 A 65 65 GLN N N 65 124.600 124.759 -0.159 1
1 768 . 4 1 1 A 66 66 GLU H H 66 7.886 7.725 0.161 1
1 769 . 4 1 1 A 66 66 GLU HA H 66 4.145 4.050 0.095 1
1 774 . 4 1 1 A 66 66 GLU C C 66 178.049 177.614 0.435 1
1 775 . 4 1 1 A 66 66 GLU CA C 66 57.564 59.455 -1.891 1
1 776 . 4 1 1 A 66 66 GLU CB C 66 31.236 29.350 1.886 1
1 778 . 4 1 1 A 66 66 GLU N N 66 116.486 118.154 -1.668 1
1 779 . 4 1 1 A 67 67 CYS H H 67 8.015 7.974 0.041 1
1 780 . 4 1 1 A 67 67 CYS HA H 67 4.331 4.447 -0.116 1
1 783 . 4 1 1 A 67 67 CYS C C 67 175.278 174.719 0.559 1
1 784 . 4 1 1 A 67 67 CYS CA C 67 58.817 58.196 0.621 1
1 785 . 4 1 1 A 67 67 CYS CB C 67 26.342 27.793 -1.451 1
1 786 . 4 1 1 A 67 67 CYS N N 67 119.526 118.300 1.226 1
1 787 . 4 1 1 A 68 68 GLN H H 68 7.983 9.075 -1.092 1
1 788 . 4 1 1 A 68 68 GLN HA H 68 4.199 4.608 -0.409 1
1 795 . 4 1 1 A 68 68 GLN C C 68 175.866 176.060 -0.194 1
1 796 . 4 1 1 A 68 68 GLN CA C 68 56.399 55.557 0.842 1
1 797 . 4 1 1 A 68 68 GLN CB C 68 29.837 29.922 -0.085 1
1 799 . 4 1 1 A 68 68 GLN N N 68 120.826 125.962 -5.136 1
1 801 . 4 1 1 A 69 69 ASP H H 69 8.755 8.085 0.670 1
1 802 . 4 1 1 A 69 69 ASP HA H 69 4.395 4.856 -0.461 1
1 805 . 4 1 1 A 69 69 ASP C C 69 174.652 175.114 -0.462 1
1 806 . 4 1 1 A 69 69 ASP CA C 69 54.546 53.302 1.244 1
1 807 . 4 1 1 A 69 69 ASP CB C 69 39.954 41.659 -1.705 1
1 808 . 4 1 1 A 69 69 ASP N N 69 117.691 119.921 -2.230 1
1 809 . 4 1 1 A 70 70 VAL H H 70 7.245 7.717 -0.472 1
1 810 . 4 1 1 A 70 70 VAL HA H 70 4.173 4.530 -0.357 1
1 818 . 4 1 1 A 70 70 VAL C C 70 173.502 172.969 0.533 1
1 819 . 4 1 1 A 70 70 VAL CA C 70 60.502 60.330 0.172 1
1 820 . 4 1 1 A 70 70 VAL CB C 70 34.397 35.100 -0.703 1
1 823 . 4 1 1 A 70 70 VAL N N 70 116.632 121.150 -4.518 1
1 824 . 4 1 1 A 71 71 GLN H H 71 8.513 8.849 -0.336 1
1 825 . 4 1 1 A 71 71 GLN HA H 71 4.758 4.922 -0.164 1
1 832 . 4 1 1 A 71 71 GLN C C 71 173.404 174.601 -1.197 1
1 833 . 4 1 1 A 71 71 GLN CA C 71 52.093 52.890 -0.797 1
1 834 . 4 1 1 A 71 71 GLN CB C 71 29.467 30.648 -1.181 1
1 836 . 4 1 1 A 71 71 GLN N N 71 125.361 128.316 -2.955 1
1 838 . 4 1 1 A 72 72 PRO HA H 72 3.955 4.454 -0.499 1
1 845 . 4 1 1 A 72 72 PRO CA C 72 61.219 61.651 -0.432 1
1 846 . 4 1 1 A 72 72 PRO CB C 72 30.548 31.829 -1.281 1
1 849 . 4 1 1 A 73 73 PRO HA H 73 3.584 4.220 -0.636 1
1 856 . 4 1 1 A 73 73 PRO C C 73 175.005 176.123 -1.118 1
1 857 . 4 1 1 A 73 73 PRO CA C 73 61.764 61.836 -0.072 1
1 858 . 4 1 1 A 73 73 PRO CB C 73 30.080 31.419 -1.339 1
1 861 . 4 1 1 A 74 74 GLU H H 74 8.066 8.453 -0.387 1
1 862 . 4 1 1 A 74 74 GLU HA H 74 3.766 3.845 -0.079 1
1 867 . 4 1 1 A 74 74 GLU C C 74 177.415 177.114 0.301 1
1 868 . 4 1 1 A 74 74 GLU CA C 74 58.005 58.095 -0.090 1
1 869 . 4 1 1 A 74 74 GLU CB C 74 29.340 29.271 0.069 1
1 871 . 4 1 1 A 74 74 GLU N N 74 120.425 121.998 -1.573 1
1 872 . 4 1 1 A 75 75 GLY H H 75 8.576 8.895 -0.319 1
1 873 . 4 1 1 A 75 75 GLY HA2 H 75 4.024 3.927 0.097 1
1 874 . 4 1 1 A 75 75 GLY HA3 H 75 3.568 3.954 -0.386 1
1 875 . 4 1 1 A 75 75 GLY C C 75 174.093 174.678 -0.585 1
1 876 . 4 1 1 A 75 75 GLY CA C 75 45.299 45.092 0.207 1
1 877 . 4 1 1 A 75 75 GLY N N 75 112.779 115.177 -2.398 1
1 878 . 4 1 1 A 76 76 ARG H H 76 7.791 7.730 0.061 1
1 879 . 4 1 1 A 76 76 ARG HA H 76 4.444 4.300 0.144 1
1 887 . 4 1 1 A 76 76 ARG C C 76 175.188 174.885 0.303 1
1 888 . 4 1 1 A 76 76 ARG CA C 76 54.617 56.093 -1.476 1
1 889 . 4 1 1 A 76 76 ARG CB C 76 31.030 32.090 -1.060 1
1 892 . 4 1 1 A 76 76 ARG N N 76 121.088 121.357 -0.269 1
1 894 . 4 1 1 A 77 77 SER H H 77 8.235 8.518 -0.283 1
1 895 . 4 1 1 A 77 77 SER HA H 77 4.405 4.747 -0.342 1
1 898 . 4 1 1 A 77 77 SER C C 77 176.069 174.558 1.511 1
1 899 . 4 1 1 A 77 77 SER CA C 77 56.805 57.345 -0.540 1
1 900 . 4 1 1 A 77 77 SER CB C 77 64.136 66.489 -2.353 1
1 901 . 4 1 1 A 77 77 SER N N 77 113.991 116.752 -2.761 1
1 902 . 4 1 1 A 78 78 ARG H H 78 8.745 9.035 -0.290 1
1 903 . 4 1 1 A 78 78 ARG HA H 78 3.774 3.891 -0.117 1
1 909 . 4 1 1 A 78 78 ARG C C 78 176.758 177.464 -0.706 1
1 910 . 4 1 1 A 78 78 ARG CA C 78 58.341 60.101 -1.760 1
1 911 . 4 1 1 A 78 78 ARG CB C 78 30.043 30.082 -0.039 1
1 914 . 4 1 1 A 78 78 ARG N N 78 122.262 124.815 -2.553 1
1 915 . 4 1 1 A 79 79 ASP H H 79 8.106 8.332 -0.226 1
1 916 . 4 1 1 A 79 79 ASP HA H 79 4.175 4.390 -0.215 1
1 919 . 4 1 1 A 79 79 ASP C C 79 175.579 179.456 -3.877 1
1 920 . 4 1 1 A 79 79 ASP CA C 79 57.159 56.797 0.362 1
1 921 . 4 1 1 A 79 79 ASP CB C 79 40.900 40.242 0.658 1
1 922 . 4 1 1 A 79 79 ASP N N 79 115.963 118.998 -3.035 1
1 923 . 4 1 1 A 80 80 GLY H H 80 7.305 8.226 -0.921 1
1 924 . 4 1 1 A 80 80 GLY HA2 H 80 4.047 3.803 0.244 1
1 925 . 4 1 1 A 80 80 GLY HA3 H 80 3.387 3.833 -0.446 1
1 926 . 4 1 1 A 80 80 GLY C C 80 174.263 174.815 -0.552 1
1 927 . 4 1 1 A 80 80 GLY CA C 80 44.276 46.668 -2.392 1
1 928 . 4 1 1 A 80 80 GLY N N 80 101.592 107.582 -5.990 1
1 929 . 4 1 1 A 81 81 LEU H H 81 7.307 7.438 -0.131 1
1 930 . 4 1 1 A 81 81 LEU HA H 81 4.494 4.247 0.247 1
1 940 . 4 1 1 A 81 81 LEU C C 81 176.212 176.628 -0.416 1
1 941 . 4 1 1 A 81 81 LEU CA C 81 56.346 55.852 0.494 1
1 942 . 4 1 1 A 81 81 LEU CB C 81 44.025 42.519 1.506 1
1 946 . 4 1 1 A 81 81 LEU N N 81 121.062 121.586 -0.524 1
1 947 . 4 1 1 A 82 82 LEU H H 82 8.286 8.413 -0.127 1
1 948 . 4 1 1 A 82 82 LEU HA H 82 5.260 4.827 0.433 1
1 958 . 4 1 1 A 82 82 LEU C C 82 175.122 174.539 0.583 1
1 959 . 4 1 1 A 82 82 LEU CA C 82 55.334 54.734 0.600 1
1 960 . 4 1 1 A 82 82 LEU CB C 82 46.064 45.342 0.722 1
1 964 . 4 1 1 A 82 82 LEU N N 82 118.524 121.734 -3.210 1
1 965 . 4 1 1 A 83 83 THR H H 83 9.095 9.027 0.068 1
1 966 . 4 1 1 A 83 83 THR HA H 83 5.305 5.281 0.024 1
1 971 . 4 1 1 A 83 83 THR C C 83 173.754 173.488 0.266 1
1 972 . 4 1 1 A 83 83 THR CA C 83 61.076 61.601 -0.525 1
1 973 . 4 1 1 A 83 83 THR CB C 83 71.268 70.468 0.800 1
1 975 . 4 1 1 A 83 83 THR N N 83 120.894 123.170 -2.276 1
1 976 . 4 1 1 A 84 84 VAL H H 84 9.175 8.862 0.313 1
1 977 . 4 1 1 A 84 84 VAL HA H 84 4.205 4.464 -0.259 1
1 985 . 4 1 1 A 84 84 VAL C C 84 173.741 174.419 -0.678 1
1 986 . 4 1 1 A 84 84 VAL CA C 84 61.182 60.922 0.260 1
1 987 . 4 1 1 A 84 84 VAL CB C 84 32.921 34.021 -1.100 1
1 990 . 4 1 1 A 84 84 VAL N N 84 127.342 127.246 0.096 1
1 991 . 4 1 1 A 85 85 ASN H H 85 8.597 8.718 -0.121 1
1 992 . 4 1 1 A 85 85 ASN HA H 85 4.960 5.156 -0.196 1
1 997 . 4 1 1 A 85 85 ASN C C 85 174.440 174.354 0.086 1
1 998 . 4 1 1 A 85 85 ASN CA C 85 52.870 52.854 0.016 1
1 999 . 4 1 1 A 85 85 ASN CB C 85 39.214 40.650 -1.436 1
1 1000 . 4 1 1 A 85 85 ASN N N 85 125.999 125.677 0.322 1
1 1002 . 4 1 1 A 86 86 LEU H H 86 8.283 8.730 -0.447 1
1 1003 . 4 1 1 A 86 86 LEU HA H 86 5.176 4.895 0.281 1
1 1013 . 4 1 1 A 86 86 LEU C C 86 178.644 177.338 1.306 1
1 1014 . 4 1 1 A 86 86 LEU CA C 86 53.700 53.320 0.380 1
1 1015 . 4 1 1 A 86 86 LEU CB C 86 42.298 44.477 -2.179 1
1 1019 . 4 1 1 A 86 86 LEU N N 86 125.763 123.659 2.104 1
1 1020 . 4 1 1 A 87 87 ARG H H 87 8.655 9.079 -0.424 1
1 1021 . 4 1 1 A 87 87 ARG HA H 87 3.905 3.924 -0.019 1
1 1028 . 4 1 1 A 87 87 ARG C C 87 177.223 177.990 -0.767 1
1 1029 . 4 1 1 A 87 87 ARG CA C 87 59.717 59.959 -0.242 1
1 1030 . 4 1 1 A 87 87 ARG CB C 87 29.280 30.308 -1.028 1
1 1033 . 4 1 1 A 87 87 ARG N N 87 123.105 122.940 0.165 1
1 1034 . 4 1 1 A 88 88 GLU H H 88 8.525 8.247 0.278 1
1 1035 . 4 1 1 A 88 88 GLU HA H 88 4.515 4.221 0.294 1
1 1040 . 4 1 1 A 88 88 GLU C C 88 175.762 176.911 -1.149 1
1 1041 . 4 1 1 A 88 88 GLU CA C 88 55.852 58.457 -2.605 1
1 1042 . 4 1 1 A 88 88 GLU CB C 88 30.249 29.573 0.676 1
1 1044 . 4 1 1 A 88 88 GLU N N 88 117.722 116.263 1.459 1
1 1045 . 4 1 1 A 89 89 GLY H H 89 8.063 7.849 0.214 1
1 1046 . 4 1 1 A 89 89 GLY HA2 H 89 3.735 4.066 -0.331 1
1 1047 . 4 1 1 A 89 89 GLY HA3 H 89 4.536 4.067 0.469 1
1 1048 . 4 1 1 A 89 89 GLY C C 89 173.864 173.442 0.422 1
1 1049 . 4 1 1 A 89 89 GLY CA C 89 44.222 45.300 -1.078 1
1 1050 . 4 1 1 A 89 89 GLY N N 89 110.616 109.598 1.018 1
1 1051 . 4 1 1 A 90 90 SER H H 90 8.094 7.760 0.334 1
1 1052 . 4 1 1 A 90 90 SER HA H 90 4.484 4.809 -0.325 1
1 1055 . 4 1 1 A 90 90 SER C C 90 172.813 172.683 0.130 1
1 1056 . 4 1 1 A 90 90 SER CA C 90 58.552 57.477 1.075 1
1 1057 . 4 1 1 A 90 90 SER CB C 90 63.915 65.001 -1.086 1
1 1058 . 4 1 1 A 90 90 SER N N 90 116.620 114.348 2.272 1
1 1059 . 4 1 1 A 91 91 ARG H H 91 8.285 8.693 -0.408 1
1 1060 . 4 1 1 A 91 91 ARG HA H 91 4.725 5.219 -0.494 1
1 1067 . 4 1 1 A 91 91 ARG C C 91 175.511 174.904 0.607 1
1 1068 . 4 1 1 A 91 91 ARG CA C 91 55.870 53.915 1.955 1
1 1069 . 4 1 1 A 91 91 ARG CB C 91 32.058 34.066 -2.008 1
1 1072 . 4 1 1 A 91 91 ARG N N 91 121.045 121.164 -0.119 1
1 1073 . 4 1 1 A 92 92 LEU H H 92 8.485 9.293 -0.808 1
1 1074 . 4 1 1 A 92 92 LEU HA H 92 4.555 4.743 -0.188 1
1 1084 . 4 1 1 A 92 92 LEU C C 92 174.815 175.532 -0.717 1
1 1085 . 4 1 1 A 92 92 LEU CA C 92 53.629 53.343 0.286 1
1 1086 . 4 1 1 A 92 92 LEU CB C 92 44.066 43.562 0.504 1
1 1090 . 4 1 1 A 92 92 LEU N N 92 123.633 121.834 1.799 1
1 1091 . 4 1 1 A 93 93 HIS H H 93 8.871 8.927 -0.056 1
1 1092 . 4 1 1 A 93 93 HIS HA H 93 5.135 4.934 0.201 1
1 1097 . 4 1 1 A 93 93 HIS C C 93 173.251 175.192 -1.941 1
1 1098 . 4 1 1 A 93 93 HIS CA C 93 56.135 56.003 0.132 1
1 1099 . 4 1 1 A 93 93 HIS CB C 93 30.701 29.686 1.015 1
1 1101 . 4 1 1 A 93 93 HIS N N 93 124.492 123.632 0.860 1
1 1102 . 4 1 1 A 94 94 LEU H H 94 9.105 9.075 0.030 1
1 1103 . 4 1 1 A 94 94 LEU HA H 94 5.940 5.568 0.372 1
1 1113 . 4 1 1 A 94 94 LEU C C 94 177.396 175.848 1.548 1
1 1114 . 4 1 1 A 94 94 LEU CA C 94 52.552 53.538 -0.986 1
1 1115 . 4 1 1 A 94 94 LEU CB C 94 45.465 46.580 -1.115 1
1 1119 . 4 1 1 A 94 94 LEU N N 94 122.911 124.973 -2.062 1
1 1120 . 4 1 1 A 95 95 CYS H H 95 8.953 9.017 -0.064 1
1 1121 . 4 1 1 A 95 95 CYS HA H 95 4.863 4.993 -0.130 1
1 1124 . 4 1 1 A 95 95 CYS C C 95 172.585 173.942 -1.357 1
1 1125 . 4 1 1 A 95 95 CYS CA C 95 59.964 58.028 1.936 1
1 1126 . 4 1 1 A 95 95 CYS CB C 95 29.220 30.976 -1.756 1
1 1127 . 4 1 1 A 95 95 CYS N N 95 118.920 119.607 -0.687 1
1 1128 . 4 1 1 A 96 96 ALA H H 96 9.465 8.885 0.580 1
1 1129 . 4 1 1 A 96 96 ALA HA H 96 5.035 4.736 0.299 1
1 1133 . 4 1 1 A 96 96 ALA C C 96 177.396 179.208 -1.812 1
1 1134 . 4 1 1 A 96 96 ALA CA C 96 50.205 51.297 -1.092 1
1 1135 . 4 1 1 A 96 96 ALA CB C 96 21.571 20.243 1.328 1
1 1136 . 4 1 1 A 96 96 ALA N N 96 132.924 129.087 3.837 1
1 1137 . 4 1 1 A 97 97 GLU H H 97 9.636 8.783 0.853 1
1 1138 . 4 1 1 A 97 97 GLU HA H 97 4.344 4.473 -0.129 1
1 1143 . 4 1 1 A 97 97 GLU C C 97 176.882 176.304 0.578 1
1 1144 . 4 1 1 A 97 97 GLU CA C 97 58.040 57.156 0.884 1
1 1145 . 4 1 1 A 97 97 GLU CB C 97 30.207 30.993 -0.786 1
1 1147 . 4 1 1 A 97 97 GLU N N 97 116.636 117.212 -0.576 1
1 1148 . 4 1 1 A 98 98 THR H H 98 7.155 7.565 -0.410 1
1 1149 . 4 1 1 A 98 98 THR HA H 98 4.684 4.718 -0.034 1
1 1154 . 4 1 1 A 98 98 THR C C 98 174.259 174.829 -0.570 1
1 1155 . 4 1 1 A 98 98 THR CA C 98 58.323 59.575 -1.252 1
1 1156 . 4 1 1 A 98 98 THR CB C 98 73.529 72.804 0.725 1
1 1158 . 4 1 1 A 98 98 THR N N 98 102.167 110.045 -7.878 1
1 1159 . 4 1 1 A 99 99 ARG H H 99 9.025 8.886 0.139 1
1 1160 . 4 1 1 A 99 99 ARG HA H 99 4.056 4.083 -0.027 1
1 1167 . 4 1 1 A 99 99 ARG C C 99 177.995 177.906 0.089 1
1 1168 . 4 1 1 A 99 99 ARG CA C 99 59.029 59.045 -0.016 1
1 1169 . 4 1 1 A 99 99 ARG CB C 99 30.208 29.798 0.410 1
1 1172 . 4 1 1 A 99 99 ARG N N 99 122.747 121.599 1.148 1
1 1173 . 4 1 1 A 100 100 ASP H H 100 8.387 8.447 -0.060 1
1 1174 . 4 1 1 A 100 100 ASP HA H 100 4.306 4.282 0.024 1
1 1177 . 4 1 1 A 100 100 ASP C C 100 179.110 178.225 0.885 1
1 1178 . 4 1 1 A 100 100 ASP CA C 100 57.475 57.811 -0.336 1
1 1179 . 4 1 1 A 100 100 ASP CB C 100 40.201 41.988 -1.787 1
1 1180 . 4 1 1 A 100 100 ASP N N 100 116.422 119.669 -3.247 1
1 1181 . 4 1 1 A 101 101 ASP H H 101 8.046 7.745 0.301 1
1 1182 . 4 1 1 A 101 101 ASP HA H 101 4.576 4.379 0.197 1
1 1185 . 4 1 1 A 101 101 ASP C C 101 177.751 178.618 -0.867 1
1 1186 . 4 1 1 A 101 101 ASP CA C 101 57.229 57.274 -0.045 1
1 1187 . 4 1 1 A 101 101 ASP CB C 101 42.093 40.807 1.286 1
1 1188 . 4 1 1 A 101 101 ASP N N 101 120.742 119.415 1.327 1
1 1189 . 4 1 1 A 102 102 ALA H H 102 7.674 7.973 -0.299 1
1 1190 . 4 1 1 A 102 102 ALA HA H 102 4.084 4.182 -0.098 1
1 1194 . 4 1 1 A 102 102 ALA C C 102 179.609 180.039 -0.430 1
1 1195 . 4 1 1 A 102 102 ALA CA C 102 56.364 55.260 1.104 1
1 1196 . 4 1 1 A 102 102 ALA CB C 102 17.952 18.631 -0.679 1
1 1197 . 4 1 1 A 102 102 ALA N N 102 122.523 121.879 0.644 1
1 1198 . 4 1 1 A 103 103 ILE H H 103 8.499 7.926 0.573 1
1 1199 . 4 1 1 A 103 103 ILE HA H 103 3.681 3.703 -0.022 1
1 1209 . 4 1 1 A 103 103 ILE C C 103 178.622 177.898 0.724 1
1 1210 . 4 1 1 A 103 103 ILE CA C 103 64.182 65.452 -1.270 1
1 1211 . 4 1 1 A 103 103 ILE CB C 103 37.240 37.616 -0.376 1
1 1215 . 4 1 1 A 103 103 ILE N N 103 117.417 118.119 -0.702 1
1 1216 . 4 1 1 A 104 104 ALA H H 104 8.174 8.399 -0.225 1
1 1217 . 4 1 1 A 104 104 ALA HA H 104 4.095 4.006 0.089 1
1 1221 . 4 1 1 A 104 104 ALA C C 104 181.998 179.733 2.265 1
1 1222 . 4 1 1 A 104 104 ALA CA C 104 55.517 55.057 0.460 1
1 1223 . 4 1 1 A 104 104 ALA CB C 104 17.294 18.651 -1.357 1
1 1224 . 4 1 1 A 104 104 ALA N N 104 124.916 122.246 2.670 1
1 1225 . 4 1 1 A 105 105 TRP H H 105 8.365 8.050 0.315 1
1 1226 . 4 1 1 A 105 105 TRP HA H 105 4.025 4.439 -0.414 1
1 1235 . 4 1 1 A 105 105 TRP C C 105 177.969 178.748 -0.779 1
1 1236 . 4 1 1 A 105 105 TRP CA C 105 62.011 60.013 1.998 1
1 1237 . 4 1 1 A 105 105 TRP CB C 105 29.179 29.015 0.164 1
1 1243 . 4 1 1 A 105 105 TRP N N 105 119.726 118.666 1.060 1
1 1245 . 4 1 1 A 106 106 LYS H H 106 8.746 7.927 0.819 1
1 1246 . 4 1 1 A 106 106 LYS HA H 106 3.805 4.137 -0.332 1
1 1255 . 4 1 1 A 106 106 LYS C C 106 177.626 179.005 -1.379 1
1 1256 . 4 1 1 A 106 106 LYS CA C 106 60.865 59.480 1.385 1
1 1257 . 4 1 1 A 106 106 LYS CB C 106 31.606 32.335 -0.729 1
1 1261 . 4 1 1 A 106 106 LYS N N 106 120.565 120.114 0.451 1
1 1262 . 4 1 1 A 107 107 THR H H 107 8.714 7.707 1.007 1
1 1263 . 4 1 1 A 107 107 THR HA H 107 3.774 3.871 -0.097 1
1 1268 . 4 1 1 A 107 107 THR C C 107 176.238 176.139 0.099 1
1 1269 . 4 1 1 A 107 107 THR CA C 107 66.688 66.767 -0.079 1
1 1270 . 4 1 1 A 107 107 THR CB C 107 69.065 68.710 0.355 1
1 1272 . 4 1 1 A 107 107 THR N N 107 115.018 117.765 -2.747 1
1 1273 . 4 1 1 A 108 108 ALA H H 108 7.769 7.930 -0.161 1
1 1274 . 4 1 1 A 108 108 ALA HA H 108 4.094 4.058 0.036 1
1 1278 . 4 1 1 A 108 108 ALA C C 108 180.611 179.891 0.720 1
1 1279 . 4 1 1 A 108 108 ALA CA C 108 55.005 54.995 0.010 1
1 1280 . 4 1 1 A 108 108 ALA CB C 108 18.015 18.208 -0.193 1
1 1281 . 4 1 1 A 108 108 ALA N N 108 123.150 123.536 -0.386 1
1 1282 . 4 1 1 A 109 109 LEU H H 109 8.795 8.317 0.478 1
1 1283 . 4 1 1 A 109 109 LEU HA H 109 4.045 4.145 -0.100 1
1 1293 . 4 1 1 A 109 109 LEU C C 109 178.758 179.149 -0.391 1
1 1294 . 4 1 1 A 109 109 LEU CA C 109 58.093 57.800 0.293 1
1 1295 . 4 1 1 A 109 109 LEU CB C 109 42.298 42.230 0.068 1
1 1299 . 4 1 1 A 109 109 LEU N N 109 118.714 120.394 -1.680 1
1 1300 . 4 1 1 A 110 110 MET H H 110 8.582 8.513 0.069 1
1 1301 . 4 1 1 A 110 110 MET HA H 110 4.404 4.041 0.363 1
1 1309 . 4 1 1 A 110 110 MET C C 110 180.290 178.798 1.492 1
1 1310 . 4 1 1 A 110 110 MET CA C 110 56.876 58.620 -1.744 1
1 1311 . 4 1 1 A 110 110 MET CB C 110 30.002 32.020 -2.018 1
1 1314 . 4 1 1 A 110 110 MET N N 110 117.122 116.632 0.490 1
1 1315 . 4 1 1 A 111 111 GLU H H 111 8.062 7.899 0.163 1
1 1316 . 4 1 1 A 111 111 GLU HA H 111 4.126 3.970 0.156 1
1 1321 . 4 1 1 A 111 111 GLU C C 111 179.237 178.671 0.566 1
1 1322 . 4 1 1 A 111 111 GLU CA C 111 59.435 59.012 0.423 1
1 1323 . 4 1 1 A 111 111 GLU CB C 111 29.015 29.539 -0.524 1
1 1325 . 4 1 1 A 111 111 GLU N N 111 121.532 119.350 2.182 1
1 1326 . 4 1 1 A 112 112 ALA H H 112 7.975 7.598 0.377 1
1 1327 . 4 1 1 A 112 112 ALA HA H 112 4.265 4.037 0.228 1
1 1331 . 4 1 1 A 112 112 ALA C C 112 179.608 179.647 -0.039 1
1 1332 . 4 1 1 A 112 112 ALA CA C 112 54.158 54.763 -0.605 1
1 1333 . 4 1 1 A 112 112 ALA CB C 112 19.530 18.501 1.029 1
1 1334 . 4 1 1 A 112 112 ALA N N 112 121.838 122.445 -0.607 1
1 1335 . 4 1 1 A 113 113 ASN H H 113 8.115 8.212 -0.097 1
1 1336 . 4 1 1 A 113 113 ASN HA H 113 4.822 4.409 0.413 1
1 1341 . 4 1 1 A 113 113 ASN C C 113 176.296 176.078 0.218 1
1 1342 . 4 1 1 A 113 113 ASN CA C 113 56.311 56.034 0.277 1
1 1343 . 4 1 1 A 113 113 ASN CB C 113 40.283 38.884 1.399 1
1 1344 . 4 1 1 A 113 113 ASN N N 113 115.563 118.105 -2.542 1
1 1346 . 4 1 1 A 114 114 SER H H 114 7.365 7.520 -0.155 1
1 1347 . 4 1 1 A 114 114 SER HA H 114 4.545 3.305 1.240 1
1 1350 . 4 1 1 A 114 114 SER C C 114 174.126 172.193 1.933 1
1 1351 . 4 1 1 A 114 114 SER CA C 114 58.464 57.244 1.220 1
1 1352 . 4 1 1 A 114 114 SER CB C 114 64.400 63.367 1.033 1
1 1353 . 4 1 1 A 114 114 SER N N 114 108.652 110.809 -2.157 1
1 1354 . 4 1 1 A 115 115 THR H H 115 7.849 7.137 0.712 1
1 1355 . 4 1 1 A 115 115 THR HA H 115 4.599 4.798 -0.199 1
1 1360 . 4 1 1 A 115 115 THR C C 115 172.337 172.186 0.151 1
1 1361 . 4 1 1 A 115 115 THR CA C 115 60.817 59.069 1.748 1
1 1362 . 4 1 1 A 115 115 THR CB C 115 70.016 71.650 -1.634 1
1 1364 . 4 1 1 A 115 115 THR N N 115 118.885 115.098 3.787 1
1 1365 . 4 1 1 A 116 116 PRO HA H 116 4.404 4.758 -0.354 1
1 1372 . 4 1 1 A 116 116 PRO CA C 116 63.007 62.417 0.590 1
1 1373 . 4 1 1 A 116 116 PRO CB C 116 32.346 33.093 -0.747 1
1 1376 . 4 1 1 A 117 117 ALA H H 117 8.429 8.472 -0.043 1
1 1377 . 4 1 1 A 117 117 ALA HA H 117 4.535 4.887 -0.352 1
1 1381 . 4 1 1 A 117 117 ALA CA C 117 50.359 50.016 0.343 1
1 1382 . 4 1 1 A 117 117 ALA CB C 117 18.069 20.355 -2.286 1
1 1383 . 4 1 1 A 117 117 ALA N N 117 125.693 123.475 2.218 1
1 1384 . 4 1 1 A 118 118 PRO HA H 118 4.377 4.499 -0.122 1
1 1391 . 4 1 1 A 118 118 PRO C C 118 176.656 178.171 -1.515 1
1 1392 . 4 1 1 A 118 118 PRO CA C 118 63.105 64.315 -1.210 1
1 1393 . 4 1 1 A 118 118 PRO CB C 118 31.935 31.803 0.132 1
1 1396 . 4 1 1 A 119 119 ALA H H 119 8.430 7.839 0.591 1
1 1397 . 4 1 1 A 119 119 ALA HA H 119 4.255 4.110 0.145 1
1 1401 . 4 1 1 A 119 119 ALA C C 119 178.416 178.450 -0.034 1
1 1402 . 4 1 1 A 119 119 ALA CA C 119 52.744 53.800 -1.056 1
1 1403 . 4 1 1 A 119 119 ALA CB C 119 19.186 19.547 -0.361 1
1 1404 . 4 1 1 A 119 119 ALA N N 119 124.565 119.214 5.351 1
1 1405 . 4 1 1 A 120 120 GLY H H 120 8.375 7.836 0.539 1
1 1406 . 4 1 1 A 120 120 GLY HA2 H 120 3.934 4.025 -0.091 1
1 1407 . 4 1 1 A 120 120 GLY HA3 H 120 3.934 4.033 -0.099 1
1 1408 . 4 1 1 A 120 120 GLY C C 120 173.810 173.734 0.076 1
1 1409 . 4 1 1 A 120 120 GLY CA C 120 45.176 45.360 -0.184 1
1 1410 . 4 1 1 A 120 120 GLY N N 120 108.353 104.462 3.891 1
1 1411 . 4 1 1 A 121 121 ALA H H 121 8.116 8.191 -0.075 1
1 1412 . 4 1 1 A 121 121 ALA HA H 121 4.379 5.019 -0.640 1
1 1416 . 4 1 1 A 121 121 ALA C C 121 177.908 175.836 2.072 1
1 1417 . 4 1 1 A 121 121 ALA CA C 121 52.446 50.717 1.729 1
1 1418 . 4 1 1 A 121 121 ALA CB C 121 19.433 22.925 -3.492 1
1 1419 . 4 1 1 A 121 121 ALA N N 121 123.561 125.494 -1.933 1
1 1420 . 4 1 1 A 122 122 THR H H 122 8.212 8.672 -0.460 1
1 1421 . 4 1 1 A 122 122 THR C C 122 174.317 173.457 0.860 1
1 1422 . 4 1 1 A 122 122 THR CA C 122 61.888 59.749 2.139 1
1 1423 . 4 1 1 A 122 122 THR CB C 122 69.648 71.783 -2.135 1
1 1425 . 4 1 1 A 122 122 THR N N 122 114.319 108.020 6.299 1
1 1426 . 4 1 1 A 123 123 VAL H H 123 8.222 8.557 -0.335 1
1 1427 . 4 1 1 A 123 123 VAL HA H 123 4.455 4.716 -0.261 1
1 1435 . 4 1 1 A 123 123 VAL C C 123 174.373 174.521 -0.148 1
1 1436 . 4 1 1 A 123 123 VAL CA C 123 59.717 58.391 1.326 1
1 1437 . 4 1 1 A 123 123 VAL CB C 123 32.593 33.271 -0.678 1
1 1440 . 4 1 1 A 123 123 VAL N N 123 124.311 114.968 9.343 1
1 1441 . 4 1 1 A 124 124 PRO HA H 124 4.403 4.588 -0.185 1
1 1446 . 4 1 1 A 124 124 PRO C C 124 176.873 176.621 0.252 1
1 1447 . 4 1 1 A 124 124 PRO CA C 124 63.211 62.305 0.906 1
1 1448 . 4 1 1 A 124 124 PRO CB C 124 32.017 32.568 -0.551 1
1 1451 . 4 1 1 A 125 125 SER H H 125 8.426 8.413 0.013 1
1 1452 . 4 1 1 A 125 125 SER HA H 125 4.448 4.309 0.139 1
1 1455 . 4 1 1 A 125 125 SER C C 125 174.598 174.388 0.210 1
1 1456 . 4 1 1 A 125 125 SER CA C 125 58.341 59.059 -0.718 1
1 1457 . 4 1 1 A 125 125 SER CB C 125 64.054 63.838 0.216 1
1 1458 . 4 1 1 A 125 125 SER N N 125 116.463 117.176 -0.713 1
1 1459 . 4 1 1 A 126 126 GLY H H 126 8.233 8.659 -0.426 1
1 1460 . 4 1 1 A 126 126 GLY C C 126 171.756 174.207 -2.451 1
1 1461 . 4 1 1 A 126 126 GLY CA C 126 44.611 46.531 -1.920 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.445 5.254 -0.809 1
1 4 . 5 1 1 A 6 6 SER C C 6 174.707 173.967 0.740 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.482 56.212 2.270 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.848 65.936 -2.088 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.494 8.559 -0.065 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 4.105 4.269 -0.164 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 4.105 4.281 -0.176 1
1 10 . 5 1 1 A 7 7 GLY C C 7 172.961 172.177 0.784 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.864 45.975 -0.111 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.325 107.701 2.624 1
1 13 . 5 1 1 A 8 8 LEU H H 8 8.295 8.947 -0.652 1
1 14 . 5 1 1 A 8 8 LEU HA H 8 4.268 4.692 -0.424 1
1 24 . 5 1 1 A 8 8 LEU C C 8 176.773 175.804 0.969 1
1 25 . 5 1 1 A 8 8 LEU CA C 8 55.587 53.885 1.702 1
1 26 . 5 1 1 A 8 8 LEU CB C 8 43.367 44.173 -0.806 1
1 30 . 5 1 1 A 8 8 LEU N N 8 123.800 125.053 -1.253 1
1 31 . 5 1 1 A 9 9 VAL H H 9 9.290 8.655 0.635 1
1 32 . 5 1 1 A 9 9 VAL HA H 9 3.826 4.032 -0.206 1
1 40 . 5 1 1 A 9 9 VAL C C 9 176.540 176.185 0.355 1
1 41 . 5 1 1 A 9 9 VAL CA C 9 64.888 63.836 1.052 1
1 42 . 5 1 1 A 9 9 VAL CB C 9 32.264 32.377 -0.113 1
1 45 . 5 1 1 A 9 9 VAL N N 9 129.415 126.146 3.269 1
1 46 . 5 1 1 A 10 10 ARG H H 10 7.135 7.584 -0.449 1
1 47 . 5 1 1 A 10 10 ARG HA H 10 4.126 4.601 -0.475 1
1 55 . 5 1 1 A 10 10 ARG C C 10 171.942 174.675 -2.733 1
1 56 . 5 1 1 A 10 10 ARG CA C 10 55.800 54.387 1.413 1
1 57 . 5 1 1 A 10 10 ARG CB C 10 32.223 33.400 -1.177 1
1 60 . 5 1 1 A 10 10 ARG N N 10 117.246 115.240 2.006 1
1 62 . 5 1 1 A 11 11 GLY H H 11 8.390 8.306 0.084 1
1 63 . 5 1 1 A 11 11 GLY HA2 H 11 3.204 3.998 -0.794 1
1 64 . 5 1 1 A 11 11 GLY HA3 H 11 5.336 4.240 1.096 1
1 65 . 5 1 1 A 11 11 GLY C C 11 172.895 172.682 0.213 1
1 66 . 5 1 1 A 11 11 GLY CA C 11 43.481 45.292 -1.811 1
1 67 . 5 1 1 A 11 11 GLY N N 11 113.527 106.541 6.986 1
1 68 . 5 1 1 A 12 12 GLY H H 12 7.935 8.349 -0.414 1
1 69 . 5 1 1 A 12 12 GLY C C 12 171.502 172.671 -1.169 1
1 70 . 5 1 1 A 12 12 GLY CA C 12 46.093 44.428 1.665 1
1 71 . 5 1 1 A 13 13 TRP H H 13 8.904 8.487 0.417 1
1 72 . 5 1 1 A 13 13 TRP HA H 13 5.205 5.305 -0.100 1
1 81 . 5 1 1 A 13 13 TRP C C 13 177.926 175.761 2.165 1
1 82 . 5 1 1 A 13 13 TRP CA C 13 57.846 56.961 0.885 1
1 83 . 5 1 1 A 13 13 TRP CB C 13 30.290 32.080 -1.790 1
1 89 . 5 1 1 A 13 13 TRP N N 13 121.758 120.724 1.034 1
1 91 . 5 1 1 A 14 14 LEU H H 14 9.295 8.985 0.310 1
1 92 . 5 1 1 A 14 14 LEU HA H 14 4.683 4.874 -0.191 1
1 102 . 5 1 1 A 14 14 LEU C C 14 175.828 175.854 -0.026 1
1 103 . 5 1 1 A 14 14 LEU CA C 14 54.670 53.691 0.979 1
1 104 . 5 1 1 A 14 14 LEU CB C 14 47.562 45.895 1.667 1
1 108 . 5 1 1 A 14 14 LEU N N 14 123.447 123.225 0.222 1
1 109 . 5 1 1 A 15 15 TRP H H 15 8.655 9.289 -0.634 1
1 110 . 5 1 1 A 15 15 TRP HA H 15 5.315 5.374 -0.059 1
1 119 . 5 1 1 A 15 15 TRP C C 15 175.899 175.822 0.077 1
1 120 . 5 1 1 A 15 15 TRP CA C 15 57.159 57.508 -0.349 1
1 121 . 5 1 1 A 15 15 TRP CB C 15 30.759 29.910 0.849 1
1 127 . 5 1 1 A 15 15 TRP N N 15 119.571 124.448 -4.877 1
1 129 . 5 1 1 A 16 16 ARG H H 16 10.145 9.628 0.517 1
1 130 . 5 1 1 A 16 16 ARG HA H 16 5.495 5.482 0.013 1
1 138 . 5 1 1 A 16 16 ARG C C 16 174.930 175.287 -0.357 1
1 139 . 5 1 1 A 16 16 ARG CA C 16 54.334 54.163 0.171 1
1 140 . 5 1 1 A 16 16 ARG CB C 16 34.808 33.230 1.578 1
1 143 . 5 1 1 A 16 16 ARG N N 16 121.997 126.273 -4.276 1
1 145 . 5 1 1 A 17 17 GLN H H 17 8.233 8.260 -0.027 1
1 146 . 5 1 1 A 17 17 GLN HA H 17 3.797 4.729 -0.932 1
1 153 . 5 1 1 A 17 17 GLN C C 17 175.654 175.849 -0.195 1
1 154 . 5 1 1 A 17 17 GLN CA C 17 55.446 54.343 1.103 1
1 155 . 5 1 1 A 17 17 GLN CB C 17 29.056 29.603 -0.547 1
1 157 . 5 1 1 A 17 17 GLN N N 17 128.414 127.580 0.834 1
1 159 . 5 1 1 A 18 18 SER H H 18 8.635 8.826 -0.191 1
1 160 . 5 1 1 A 18 18 SER HA H 18 4.575 4.431 0.144 1
1 163 . 5 1 1 A 18 18 SER C C 18 175.585 173.952 1.633 1
1 164 . 5 1 1 A 18 18 SER CA C 18 57.246 58.890 -1.644 1
1 165 . 5 1 1 A 18 18 SER CB C 18 64.012 64.253 -0.241 1
1 166 . 5 1 1 A 18 18 SER N N 18 122.600 122.787 -0.187 1
1 167 . 5 1 1 A 20 20 ILE H H 20 7.976 8.113 -0.137 1
1 168 . 5 1 1 A 20 20 ILE HA H 20 4.036 3.976 0.060 1
1 178 . 5 1 1 A 20 20 ILE C C 20 176.929 178.074 -1.145 1
1 179 . 5 1 1 A 20 20 ILE CA C 20 62.929 63.573 -0.644 1
1 180 . 5 1 1 A 20 20 ILE CB C 20 37.912 38.146 -0.234 1
1 184 . 5 1 1 A 20 20 ILE N N 20 120.700 120.917 -0.217 1
1 185 . 5 1 1 A 21 21 LEU H H 21 8.089 7.838 0.251 1
1 186 . 5 1 1 A 21 21 LEU HA H 21 4.159 4.232 -0.073 1
1 196 . 5 1 1 A 21 21 LEU C C 21 176.455 176.252 0.203 1
1 197 . 5 1 1 A 21 21 LEU CA C 21 55.287 55.293 -0.006 1
1 198 . 5 1 1 A 21 21 LEU CB C 21 42.051 42.063 -0.012 1
1 202 . 5 1 1 A 21 21 LEU N N 21 119.540 120.986 -1.446 1
1 203 . 5 1 1 A 22 22 ARG H H 22 7.687 7.771 -0.084 1
1 204 . 5 1 1 A 22 22 ARG HA H 22 3.806 3.904 -0.098 1
1 211 . 5 1 1 A 22 22 ARG C C 22 175.087 174.370 0.717 1
1 212 . 5 1 1 A 22 22 ARG CA C 22 56.788 57.297 -0.509 1
1 213 . 5 1 1 A 22 22 ARG CB C 22 27.130 27.296 -0.166 1
1 216 . 5 1 1 A 22 22 ARG N N 22 114.383 116.510 -2.127 1
1 217 . 5 1 1 A 23 23 ARG H H 23 7.392 7.642 -0.250 1
1 218 . 5 1 1 A 23 23 ARG HA H 23 4.603 4.733 -0.130 1
1 225 . 5 1 1 A 23 23 ARG C C 23 176.112 175.484 0.628 1
1 226 . 5 1 1 A 23 23 ARG CA C 23 54.846 54.473 0.373 1
1 227 . 5 1 1 A 23 23 ARG CB C 23 32.387 32.278 0.109 1
1 230 . 5 1 1 A 23 23 ARG N N 23 115.846 117.362 -1.516 1
1 231 . 5 1 1 A 24 24 TRP H H 24 9.013 8.511 0.502 1
1 232 . 5 1 1 A 24 24 TRP HA H 24 5.154 5.211 -0.057 1
1 241 . 5 1 1 A 24 24 TRP C C 24 176.347 176.671 -0.324 1
1 242 . 5 1 1 A 24 24 TRP CA C 24 57.546 58.301 -0.755 1
1 243 . 5 1 1 A 24 24 TRP CB C 24 31.112 30.966 0.146 1
1 249 . 5 1 1 A 24 24 TRP N N 24 123.861 122.509 1.352 1
1 251 . 5 1 1 A 25 25 LYS H H 25 9.553 9.873 -0.320 1
1 252 . 5 1 1 A 25 25 LYS HA H 25 4.992 5.478 -0.486 1
1 261 . 5 1 1 A 25 25 LYS C C 25 173.887 175.187 -1.300 1
1 262 . 5 1 1 A 25 25 LYS CA C 25 55.023 54.949 0.074 1
1 263 . 5 1 1 A 25 25 LYS CB C 25 35.965 36.415 -0.450 1
1 267 . 5 1 1 A 25 25 LYS N N 25 123.241 119.775 3.466 1
1 268 . 5 1 1 A 26 26 ARG H H 26 8.705 8.587 0.118 1
1 269 . 5 1 1 A 26 26 ARG HA H 26 4.494 4.200 0.294 1
1 276 . 5 1 1 A 26 26 ARG C C 26 175.755 176.383 -0.628 1
1 277 . 5 1 1 A 26 26 ARG CA C 26 56.046 56.083 -0.037 1
1 278 . 5 1 1 A 26 26 ARG CB C 26 30.783 30.590 0.193 1
1 281 . 5 1 1 A 26 26 ARG N N 26 124.843 122.262 2.581 1
1 282 . 5 1 1 A 27 27 ASN H H 27 9.100 8.754 0.346 1
1 283 . 5 1 1 A 27 27 ASN HA H 27 5.235 5.433 -0.198 1
1 288 . 5 1 1 A 27 27 ASN CA C 27 54.041 51.865 2.176 1
1 289 . 5 1 1 A 27 27 ASN CB C 27 46.737 42.895 3.842 1
1 290 . 5 1 1 A 27 27 ASN N N 27 123.044 122.741 0.303 1
1 292 . 5 1 1 A 28 28 TRP H H 28 7.835 8.094 -0.259 1
1 293 . 5 1 1 A 28 28 TRP HA H 28 4.105 4.585 -0.480 1
1 299 . 5 1 1 A 28 28 TRP N N 28 122.540 125.868 -3.328 1
1 300 . 5 1 1 A 29 29 PHE H H 29 8.755 8.478 0.277 1
1 301 . 5 1 1 A 29 29 PHE HA H 29 5.001 4.842 0.159 1
1 309 . 5 1 1 A 29 29 PHE CA C 29 56.692 56.596 0.096 1
1 310 . 5 1 1 A 29 29 PHE CB C 29 42.284 40.490 1.794 1
1 316 . 5 1 1 A 29 29 PHE N N 29 129.716 126.329 3.387 1
1 317 . 5 1 1 A 30 30 ALA H H 30 8.695 8.149 0.546 1
1 321 . 5 1 1 A 30 30 ALA C C 30 173.958 174.456 -0.498 1
1 322 . 5 1 1 A 30 30 ALA CA C 30 50.611 50.334 0.277 1
1 323 . 5 1 1 A 30 30 ALA CB C 30 22.570 22.384 0.186 1
1 324 . 5 1 1 A 31 31 LEU H H 31 8.815 8.006 0.809 1
1 325 . 5 1 1 A 31 31 LEU HA H 31 5.003 4.768 0.235 1
1 335 . 5 1 1 A 31 31 LEU C C 31 174.414 174.531 -0.117 1
1 336 . 5 1 1 A 31 31 LEU CA C 31 53.240 53.608 -0.368 1
1 337 . 5 1 1 A 31 31 LEU CB C 31 44.783 44.695 0.088 1
1 341 . 5 1 1 A 31 31 LEU N N 31 124.610 123.677 0.933 1
1 342 . 5 1 1 A 32 32 TRP H H 32 9.045 8.754 0.291 1
1 343 . 5 1 1 A 32 32 TRP HA H 32 5.499 5.252 0.247 1
1 352 . 5 1 1 A 32 32 TRP C C 32 178.871 177.023 1.848 1
1 353 . 5 1 1 A 32 32 TRP CA C 32 55.552 55.660 -0.108 1
1 354 . 5 1 1 A 32 32 TRP CB C 32 32.346 32.508 -0.162 1
1 360 . 5 1 1 A 32 32 TRP N N 32 128.500 126.152 2.348 1
1 362 . 5 1 1 A 33 33 LEU H H 33 9.246 9.012 0.234 1
1 363 . 5 1 1 A 33 33 LEU HA H 33 4.075 4.206 -0.131 1
1 373 . 5 1 1 A 33 33 LEU C C 33 176.859 177.552 -0.693 1
1 374 . 5 1 1 A 33 33 LEU CA C 33 57.035 57.369 -0.334 1
1 375 . 5 1 1 A 33 33 LEU CB C 33 42.651 41.800 0.851 1
1 379 . 5 1 1 A 33 33 LEU N N 33 123.838 125.310 -1.472 1
1 380 . 5 1 1 A 34 34 ASP H H 34 7.536 7.880 -0.344 1
1 381 . 5 1 1 A 34 34 ASP HA H 34 4.395 4.767 -0.372 1
1 384 . 5 1 1 A 34 34 ASP C C 34 177.113 176.156 0.957 1
1 385 . 5 1 1 A 34 34 ASP CA C 34 53.805 53.721 0.084 1
1 386 . 5 1 1 A 34 34 ASP CB C 34 39.625 40.967 -1.342 1
1 387 . 5 1 1 A 34 34 ASP N N 34 115.948 117.335 -1.387 1
1 388 . 5 1 1 A 35 35 GLY H H 35 8.264 7.929 0.335 1
1 389 . 5 1 1 A 35 35 GLY HA2 H 35 4.205 4.029 0.176 1
1 390 . 5 1 1 A 35 35 GLY HA3 H 35 3.895 4.033 -0.138 1
1 391 . 5 1 1 A 35 35 GLY C C 35 173.898 173.632 0.266 1
1 392 . 5 1 1 A 35 35 GLY CA C 35 46.216 47.007 -0.791 1
1 393 . 5 1 1 A 35 35 GLY N N 35 106.508 108.779 -2.271 1
1 394 . 5 1 1 A 36 36 THR H H 36 8.035 7.680 0.355 1
1 395 . 5 1 1 A 36 36 THR HA H 36 5.123 5.085 0.038 1
1 400 . 5 1 1 A 36 36 THR C C 36 170.669 172.974 -2.305 1
1 401 . 5 1 1 A 36 36 THR CA C 36 60.588 59.562 1.026 1
1 402 . 5 1 1 A 36 36 THR CB C 36 72.314 72.860 -0.546 1
1 404 . 5 1 1 A 36 36 THR N N 36 112.047 108.849 3.198 1
1 405 . 5 1 1 A 37 37 LEU H H 37 9.344 9.356 -0.012 1
1 406 . 5 1 1 A 37 37 LEU HA H 37 5.616 5.090 0.526 1
1 416 . 5 1 1 A 37 37 LEU C C 37 175.787 174.933 0.854 1
1 417 . 5 1 1 A 37 37 LEU CA C 37 52.799 53.888 -1.089 1
1 418 . 5 1 1 A 37 37 LEU CB C 37 46.698 44.589 2.109 1
1 422 . 5 1 1 A 37 37 LEU N N 37 122.915 124.154 -1.239 1
1 423 . 5 1 1 A 38 38 GLY H H 38 9.685 8.851 0.834 1
1 424 . 5 1 1 A 38 38 GLY HA2 H 38 5.074 4.111 0.963 1
1 425 . 5 1 1 A 38 38 GLY HA3 H 38 3.825 4.317 -0.492 1
1 426 . 5 1 1 A 38 38 GLY C C 38 172.258 172.272 -0.014 1
1 427 . 5 1 1 A 38 38 GLY CA C 38 43.676 44.357 -0.681 1
1 428 . 5 1 1 A 38 38 GLY N N 38 113.092 114.357 -1.265 1
1 429 . 5 1 1 A 39 39 TYR H H 39 7.362 8.258 -0.896 1
1 430 . 5 1 1 A 39 39 TYR HA H 39 5.251 5.828 -0.577 1
1 437 . 5 1 1 A 39 39 TYR C C 39 175.367 173.654 1.713 1
1 438 . 5 1 1 A 39 39 TYR CA C 39 54.282 54.787 -0.505 1
1 439 . 5 1 1 A 39 39 TYR CB C 39 37.774 41.185 -3.411 1
1 444 . 5 1 1 A 39 39 TYR N N 39 113.951 119.508 -5.557 1
1 445 . 5 1 1 A 40 40 TYR H H 40 9.315 8.526 0.789 1
1 446 . 5 1 1 A 40 40 TYR HA H 40 5.305 4.819 0.486 1
1 453 . 5 1 1 A 40 40 TYR C C 40 177.694 176.227 1.467 1
1 454 . 5 1 1 A 40 40 TYR CA C 40 57.185 56.823 0.362 1
1 455 . 5 1 1 A 40 40 TYR CB C 40 43.779 42.674 1.105 1
1 460 . 5 1 1 A 40 40 TYR N N 40 117.930 119.142 -1.212 1
1 461 . 5 1 1 A 41 41 HIS H H 41 8.658 8.827 -0.169 1
1 462 . 5 1 1 A 41 41 HIS HA H 41 4.654 4.438 0.216 1
1 467 . 5 1 1 A 41 41 HIS C C 41 174.858 175.557 -0.699 1
1 468 . 5 1 1 A 41 41 HIS CA C 41 59.159 59.126 0.033 1
1 469 . 5 1 1 A 41 41 HIS CB C 41 31.094 29.700 1.394 1
1 472 . 5 1 1 A 41 41 HIS N N 41 121.927 120.904 1.023 1
1 473 . 5 1 1 A 42 42 ASP H H 42 8.095 8.101 -0.006 1
1 474 . 5 1 1 A 42 42 ASP HA H 42 4.795 5.202 -0.407 1
1 477 . 5 1 1 A 42 42 ASP C C 42 175.052 176.681 -1.629 1
1 478 . 5 1 1 A 42 42 ASP CA C 42 53.155 52.717 0.438 1
1 479 . 5 1 1 A 42 42 ASP CB C 42 41.860 44.377 -2.517 1
1 480 . 5 1 1 A 42 42 ASP N N 42 112.020 116.643 -4.623 1
1 481 . 5 1 1 A 43 43 GLU H H 43 8.899 8.998 -0.099 1
1 482 . 5 1 1 A 43 43 GLU C C 43 176.336 177.188 -0.852 1
1 483 . 5 1 1 A 43 43 GLU CA C 43 57.021 58.840 -1.819 1
1 484 . 5 1 1 A 43 43 GLU CB C 43 27.493 28.638 -1.145 1
1 485 . 5 1 1 A 43 43 GLU N N 43 116.402 120.754 -4.352 1
1 486 . 5 1 1 A 44 44 THR H H 44 8.093 7.789 0.304 1
1 487 . 5 1 1 A 44 44 THR HA H 44 3.915 4.187 -0.272 1
1 492 . 5 1 1 A 44 44 THR CA C 44 63.143 61.664 1.479 1
1 493 . 5 1 1 A 44 44 THR CB C 44 69.620 68.031 1.589 1
1 495 . 5 1 1 A 44 44 THR N N 44 111.376 111.432 -0.056 1
1 496 . 5 1 1 A 45 45 ALA H H 45 7.815 8.184 -0.369 1
1 497 . 5 1 1 A 45 45 ALA HA H 45 3.430 3.552 -0.122 1
1 501 . 5 1 1 A 45 45 ALA C C 45 175.091 176.568 -1.477 1
1 502 . 5 1 1 A 45 45 ALA CA C 45 53.434 51.167 2.267 1
1 503 . 5 1 1 A 45 45 ALA CB C 45 15.567 17.439 -1.872 1
1 504 . 5 1 1 A 46 46 GLN H H 46 7.869 8.711 -0.842 1
1 505 . 5 1 1 A 46 46 GLN HA H 46 4.238 4.659 -0.421 1
1 512 . 5 1 1 A 46 46 GLN C C 46 176.190 175.807 0.383 1
1 513 . 5 1 1 A 46 46 GLN CA C 46 56.929 56.657 0.272 1
1 514 . 5 1 1 A 46 46 GLN CB C 46 30.454 31.566 -1.112 1
1 516 . 5 1 1 A 46 46 GLN N N 46 115.953 123.290 -7.337 1
1 518 . 5 1 1 A 47 47 ASP H H 47 8.326 8.302 0.024 1
1 519 . 5 1 1 A 47 47 ASP HA H 47 4.954 4.864 0.090 1
1 522 . 5 1 1 A 47 47 ASP C C 47 173.846 174.666 -0.820 1
1 523 . 5 1 1 A 47 47 ASP CA C 47 52.993 53.025 -0.032 1
1 524 . 5 1 1 A 47 47 ASP CB C 47 41.558 39.720 1.838 1
1 525 . 5 1 1 A 47 47 ASP N N 47 119.830 119.621 0.209 1
1 526 . 5 1 1 A 48 48 GLU H H 48 8.756 8.635 0.121 1
1 527 . 5 1 1 A 48 48 GLU HA H 48 3.785 3.463 0.322 1
1 532 . 5 1 1 A 48 48 GLU C C 48 175.892 176.554 -0.662 1
1 533 . 5 1 1 A 48 48 GLU CA C 48 56.470 56.648 -0.178 1
1 534 . 5 1 1 A 48 48 GLU CB C 48 32.264 29.683 2.581 1
1 536 . 5 1 1 A 48 48 GLU N N 48 125.923 122.875 3.048 1
1 537 . 5 1 1 A 49 49 GLU H H 49 8.945 8.132 0.813 1
1 538 . 5 1 1 A 49 49 GLU HA H 49 4.164 4.026 0.138 1
1 543 . 5 1 1 A 49 49 GLU C C 49 176.040 175.951 0.089 1
1 544 . 5 1 1 A 49 49 GLU CA C 49 58.447 58.498 -0.051 1
1 545 . 5 1 1 A 49 49 GLU CB C 49 30.207 30.286 -0.079 1
1 547 . 5 1 1 A 49 49 GLU N N 49 129.751 124.363 5.388 1
1 548 . 5 1 1 A 50 50 ASP H H 50 6.736 7.001 -0.265 1
1 549 . 5 1 1 A 50 50 ASP HA H 50 4.355 4.811 -0.456 1
1 552 . 5 1 1 A 50 50 ASP C C 50 172.562 173.494 -0.932 1
1 553 . 5 1 1 A 50 50 ASP CA C 50 52.729 53.180 -0.451 1
1 554 . 5 1 1 A 50 50 ASP CB C 50 43.737 44.376 -0.639 1
1 555 . 5 1 1 A 50 50 ASP N N 50 113.574 116.294 -2.720 1
1 556 . 5 1 1 A 51 51 ARG H H 51 8.532 8.544 -0.012 1
1 557 . 5 1 1 A 51 51 ARG HA H 51 5.005 4.928 0.077 1
1 565 . 5 1 1 A 51 51 ARG C C 51 174.656 174.544 0.112 1
1 566 . 5 1 1 A 51 51 ARG CA C 51 55.605 55.168 0.437 1
1 567 . 5 1 1 A 51 51 ARG CB C 51 33.520 33.743 -0.223 1
1 570 . 5 1 1 A 51 51 ARG N N 51 117.888 121.915 -4.027 1
1 572 . 5 1 1 A 52 52 VAL H H 52 9.155 9.028 0.127 1
1 573 . 5 1 1 A 52 52 VAL HA H 52 4.616 4.957 -0.341 1
1 581 . 5 1 1 A 52 52 VAL C C 52 174.710 175.388 -0.678 1
1 582 . 5 1 1 A 52 52 VAL CA C 52 59.382 60.269 -0.887 1
1 583 . 5 1 1 A 52 52 VAL CB C 52 35.266 34.687 0.579 1
1 586 . 5 1 1 A 52 52 VAL N N 52 121.629 121.589 0.040 1
1 587 . 5 1 1 A 53 53 VAL H H 53 8.956 9.015 -0.059 1
1 588 . 5 1 1 A 53 53 VAL HA H 53 3.745 4.103 -0.358 1
1 596 . 5 1 1 A 53 53 VAL C C 53 174.610 175.760 -1.150 1
1 597 . 5 1 1 A 53 53 VAL CA C 53 64.676 63.683 0.993 1
1 598 . 5 1 1 A 53 53 VAL CB C 53 32.305 32.114 0.191 1
1 601 . 5 1 1 A 53 53 VAL N N 53 125.547 126.155 -0.608 1
1 602 . 5 1 1 A 54 54 ILE H H 54 8.705 9.184 -0.479 1
1 603 . 5 1 1 A 54 54 ILE HA H 54 4.324 4.288 0.036 1
1 613 . 5 1 1 A 54 54 ILE C C 54 176.747 176.230 0.517 1
1 614 . 5 1 1 A 54 54 ILE CA C 54 58.623 62.733 -4.110 1
1 615 . 5 1 1 A 54 54 ILE CB C 54 36.787 39.520 -2.733 1
1 619 . 5 1 1 A 54 54 ILE N N 54 126.147 126.227 -0.080 1
1 620 . 5 1 1 A 55 55 HIS H H 55 7.913 7.659 0.254 1
1 621 . 5 1 1 A 55 55 HIS HA H 55 4.626 4.325 0.301 1
1 626 . 5 1 1 A 55 55 HIS C C 55 174.365 175.656 -1.291 1
1 627 . 5 1 1 A 55 55 HIS CA C 55 57.917 57.110 0.807 1
1 628 . 5 1 1 A 55 55 HIS CB C 55 29.796 29.688 0.108 1
1 631 . 5 1 1 A 55 55 HIS N N 55 119.790 123.273 -3.483 1
1 632 . 5 1 1 A 56 56 PHE H H 56 9.382 8.797 0.585 1
1 633 . 5 1 1 A 56 56 PHE HA H 56 4.225 4.289 -0.064 1
1 641 . 5 1 1 A 56 56 PHE C C 56 175.781 174.946 0.835 1
1 642 . 5 1 1 A 56 56 PHE CA C 56 57.593 58.346 -0.753 1
1 643 . 5 1 1 A 56 56 PHE CB C 56 36.664 36.022 0.642 1
1 649 . 5 1 1 A 56 56 PHE N N 56 124.614 122.261 2.353 1
1 650 . 5 1 1 A 57 57 ASN H H 57 8.755 7.742 1.013 1
1 651 . 5 1 1 A 57 57 ASN HA H 57 5.319 5.032 0.287 1
1 656 . 5 1 1 A 57 57 ASN C C 57 175.317 175.650 -0.333 1
1 657 . 5 1 1 A 57 57 ASN CA C 57 52.129 54.247 -2.118 1
1 658 . 5 1 1 A 57 57 ASN CB C 57 41.640 40.879 0.761 1
1 659 . 5 1 1 A 57 57 ASN N N 57 114.893 116.110 -1.217 1
1 661 . 5 1 1 A 58 58 VAL H H 58 8.606 7.488 1.118 1
1 662 . 5 1 1 A 58 58 VAL HA H 58 4.138 4.357 -0.219 1
1 670 . 5 1 1 A 58 58 VAL C C 58 175.486 176.000 -0.514 1
1 671 . 5 1 1 A 58 58 VAL CA C 58 63.035 63.470 -0.435 1
1 672 . 5 1 1 A 58 58 VAL CB C 58 32.733 31.946 0.787 1
1 675 . 5 1 1 A 58 58 VAL N N 58 121.476 118.568 2.908 1
1 676 . 5 1 1 A 59 59 ARG H H 59 9.233 9.362 -0.129 1
1 677 . 5 1 1 A 59 59 ARG HA H 59 4.184 4.297 -0.113 1
1 684 . 5 1 1 A 59 59 ARG C C 59 175.572 175.696 -0.124 1
1 685 . 5 1 1 A 59 59 ARG CA C 59 58.093 57.437 0.656 1
1 686 . 5 1 1 A 59 59 ARG CB C 59 31.236 31.727 -0.491 1
1 689 . 5 1 1 A 59 59 ARG N N 59 128.965 129.327 -0.362 1
1 690 . 5 1 1 A 60 60 ASP H H 60 7.745 7.666 0.079 1
1 691 . 5 1 1 A 60 60 ASP HA H 60 4.485 4.923 -0.438 1
1 694 . 5 1 1 A 60 60 ASP C C 60 173.047 173.462 -0.415 1
1 695 . 5 1 1 A 60 60 ASP CA C 60 53.911 53.291 0.620 1
1 696 . 5 1 1 A 60 60 ASP CB C 60 42.874 43.131 -0.257 1
1 697 . 5 1 1 A 60 60 ASP N N 60 113.170 114.693 -1.523 1
1 698 . 5 1 1 A 61 61 ILE H H 61 8.398 8.461 -0.063 1
1 699 . 5 1 1 A 61 61 ILE HA H 61 5.055 5.041 0.014 1
1 709 . 5 1 1 A 61 61 ILE C C 61 174.897 174.518 0.379 1
1 710 . 5 1 1 A 61 61 ILE CA C 61 60.511 60.361 0.150 1
1 711 . 5 1 1 A 61 61 ILE CB C 61 41.558 41.383 0.175 1
1 715 . 5 1 1 A 61 61 ILE N N 61 118.375 120.189 -1.814 1
1 716 . 5 1 1 A 62 62 LYS H H 62 8.619 8.705 -0.086 1
1 717 . 5 1 1 A 62 62 LYS HA H 62 4.711 4.990 -0.279 1
1 726 . 5 1 1 A 62 62 LYS C C 62 174.636 175.066 -0.430 1
1 727 . 5 1 1 A 62 62 LYS CA C 62 53.947 54.434 -0.487 1
1 728 . 5 1 1 A 62 62 LYS CB C 62 35.677 35.682 -0.005 1
1 732 . 5 1 1 A 62 62 LYS N N 62 128.701 126.625 2.076 1
1 733 . 5 1 1 A 63 63 VAL H H 63 8.946 8.717 0.229 1
1 734 . 5 1 1 A 63 63 VAL HA H 63 5.073 4.633 0.440 1
1 742 . 5 1 1 A 63 63 VAL C C 63 177.772 176.211 1.561 1
1 743 . 5 1 1 A 63 63 VAL CA C 63 59.734 60.689 -0.955 1
1 744 . 5 1 1 A 63 63 VAL CB C 63 36.210 35.505 0.705 1
1 747 . 5 1 1 A 63 63 VAL N N 63 120.053 121.061 -1.008 1
1 748 . 5 1 1 A 64 64 GLY H H 64 9.804 8.551 1.253 1
1 749 . 5 1 1 A 64 64 GLY HA2 H 64 4.415 3.970 0.445 1
1 750 . 5 1 1 A 64 64 GLY HA3 H 64 3.906 3.971 -0.065 1
1 751 . 5 1 1 A 64 64 GLY C C 64 176.864 175.222 1.642 1
1 752 . 5 1 1 A 64 64 GLY CA C 64 47.063 46.985 0.078 1
1 753 . 5 1 1 A 64 64 GLY N N 64 118.354 112.796 5.558 1
1 754 . 5 1 1 A 65 65 GLN H H 65 9.045 8.857 0.188 1
1 755 . 5 1 1 A 65 65 GLN HA H 65 3.944 4.029 -0.085 1
1 762 . 5 1 1 A 65 65 GLN C C 65 176.698 178.203 -1.505 1
1 763 . 5 1 1 A 65 65 GLN CA C 65 57.793 59.080 -1.287 1
1 764 . 5 1 1 A 65 65 GLN CB C 65 27.822 28.844 -1.022 1
1 766 . 5 1 1 A 65 65 GLN N N 65 124.600 124.778 -0.178 1
1 768 . 5 1 1 A 66 66 GLU H H 66 7.886 8.328 -0.442 1
1 769 . 5 1 1 A 66 66 GLU HA H 66 4.145 4.122 0.023 1
1 774 . 5 1 1 A 66 66 GLU C C 66 178.049 176.670 1.379 1
1 775 . 5 1 1 A 66 66 GLU CA C 66 57.564 59.646 -2.082 1
1 776 . 5 1 1 A 66 66 GLU CB C 66 31.236 29.170 2.066 1
1 778 . 5 1 1 A 66 66 GLU N N 66 116.486 117.547 -1.061 1
1 779 . 5 1 1 A 67 67 CYS H H 67 8.015 7.899 0.116 1
1 780 . 5 1 1 A 67 67 CYS HA H 67 4.331 4.413 -0.082 1
1 783 . 5 1 1 A 67 67 CYS C C 67 175.278 174.757 0.521 1
1 784 . 5 1 1 A 67 67 CYS CA C 67 58.817 59.822 -1.005 1
1 785 . 5 1 1 A 67 67 CYS CB C 67 26.342 28.613 -2.271 1
1 786 . 5 1 1 A 67 67 CYS N N 67 119.526 118.416 1.110 1
1 787 . 5 1 1 A 68 68 GLN H H 68 7.983 8.925 -0.942 1
1 788 . 5 1 1 A 68 68 GLN HA H 68 4.199 4.464 -0.265 1
1 795 . 5 1 1 A 68 68 GLN C C 68 175.866 175.419 0.447 1
1 796 . 5 1 1 A 68 68 GLN CA C 68 56.399 54.573 1.826 1
1 797 . 5 1 1 A 68 68 GLN CB C 68 29.837 27.000 2.837 1
1 799 . 5 1 1 A 68 68 GLN N N 68 120.826 122.873 -2.047 1
1 801 . 5 1 1 A 69 69 ASP H H 69 8.755 8.081 0.674 1
1 802 . 5 1 1 A 69 69 ASP HA H 69 4.395 4.245 0.150 1
1 805 . 5 1 1 A 69 69 ASP C C 69 174.652 175.503 -0.851 1
1 806 . 5 1 1 A 69 69 ASP CA C 69 54.546 55.002 -0.456 1
1 807 . 5 1 1 A 69 69 ASP CB C 69 39.954 39.614 0.340 1
1 808 . 5 1 1 A 69 69 ASP N N 69 117.691 118.103 -0.412 1
1 809 . 5 1 1 A 70 70 VAL H H 70 7.245 7.808 -0.563 1
1 810 . 5 1 1 A 70 70 VAL HA H 70 4.173 4.481 -0.308 1
1 818 . 5 1 1 A 70 70 VAL C C 70 173.502 175.245 -1.743 1
1 819 . 5 1 1 A 70 70 VAL CA C 70 60.502 60.134 0.368 1
1 820 . 5 1 1 A 70 70 VAL CB C 70 34.397 33.679 0.718 1
1 823 . 5 1 1 A 70 70 VAL N N 70 116.632 118.191 -1.559 1
1 824 . 5 1 1 A 71 71 GLN H H 71 8.513 8.577 -0.064 1
1 825 . 5 1 1 A 71 71 GLN HA H 71 4.758 4.820 -0.062 1
1 832 . 5 1 1 A 71 71 GLN C C 71 173.404 174.925 -1.521 1
1 833 . 5 1 1 A 71 71 GLN CA C 71 52.093 54.010 -1.917 1
1 834 . 5 1 1 A 71 71 GLN CB C 71 29.467 29.454 0.013 1
1 836 . 5 1 1 A 71 71 GLN N N 71 125.361 127.322 -1.961 1
1 838 . 5 1 1 A 72 72 PRO HA H 72 3.955 4.417 -0.462 1
1 845 . 5 1 1 A 72 72 PRO CA C 72 61.219 61.284 -0.065 1
1 846 . 5 1 1 A 72 72 PRO CB C 72 30.548 31.009 -0.461 1
1 849 . 5 1 1 A 73 73 PRO HA H 73 3.584 4.344 -0.760 1
1 856 . 5 1 1 A 73 73 PRO C C 73 175.005 176.482 -1.477 1
1 857 . 5 1 1 A 73 73 PRO CA C 73 61.764 62.238 -0.474 1
1 858 . 5 1 1 A 73 73 PRO CB C 73 30.080 31.176 -1.096 1
1 861 . 5 1 1 A 74 74 GLU H H 74 8.066 8.573 -0.507 1
1 862 . 5 1 1 A 74 74 GLU HA H 74 3.766 3.860 -0.094 1
1 867 . 5 1 1 A 74 74 GLU C C 74 177.415 176.991 0.424 1
1 868 . 5 1 1 A 74 74 GLU CA C 74 58.005 58.196 -0.191 1
1 869 . 5 1 1 A 74 74 GLU CB C 74 29.340 29.256 0.084 1
1 871 . 5 1 1 A 74 74 GLU N N 74 120.425 122.717 -2.292 1
1 872 . 5 1 1 A 75 75 GLY H H 75 8.576 8.898 -0.322 1
1 873 . 5 1 1 A 75 75 GLY HA2 H 75 4.024 3.916 0.108 1
1 874 . 5 1 1 A 75 75 GLY HA3 H 75 3.568 3.942 -0.374 1
1 875 . 5 1 1 A 75 75 GLY C C 75 174.093 174.487 -0.394 1
1 876 . 5 1 1 A 75 75 GLY CA C 75 45.299 45.231 0.068 1
1 877 . 5 1 1 A 75 75 GLY N N 75 112.779 115.032 -2.253 1
1 878 . 5 1 1 A 76 76 ARG H H 76 7.791 7.357 0.434 1
1 879 . 5 1 1 A 76 76 ARG HA H 76 4.444 4.279 0.165 1
1 887 . 5 1 1 A 76 76 ARG C C 76 175.188 175.150 0.038 1
1 888 . 5 1 1 A 76 76 ARG CA C 76 54.617 56.215 -1.598 1
1 889 . 5 1 1 A 76 76 ARG CB C 76 31.030 31.521 -0.491 1
1 892 . 5 1 1 A 76 76 ARG N N 76 121.088 121.405 -0.317 1
1 894 . 5 1 1 A 77 77 SER H H 77 8.235 8.624 -0.389 1
1 895 . 5 1 1 A 77 77 SER HA H 77 4.405 4.606 -0.201 1
1 898 . 5 1 1 A 77 77 SER C C 77 176.069 174.837 1.232 1
1 899 . 5 1 1 A 77 77 SER CA C 77 56.805 57.041 -0.236 1
1 900 . 5 1 1 A 77 77 SER CB C 77 64.136 65.687 -1.551 1
1 901 . 5 1 1 A 77 77 SER N N 77 113.991 116.551 -2.560 1
1 902 . 5 1 1 A 78 78 ARG H H 78 8.745 8.683 0.062 1
1 903 . 5 1 1 A 78 78 ARG HA H 78 3.774 4.048 -0.274 1
1 909 . 5 1 1 A 78 78 ARG C C 78 176.758 178.144 -1.386 1
1 910 . 5 1 1 A 78 78 ARG CA C 78 58.341 59.448 -1.107 1
1 911 . 5 1 1 A 78 78 ARG CB C 78 30.043 30.143 -0.100 1
1 914 . 5 1 1 A 78 78 ARG N N 78 122.262 123.977 -1.715 1
1 915 . 5 1 1 A 79 79 ASP H H 79 8.106 8.645 -0.539 1
1 916 . 5 1 1 A 79 79 ASP HA H 79 4.175 4.455 -0.280 1
1 919 . 5 1 1 A 79 79 ASP C C 79 175.579 177.489 -1.910 1
1 920 . 5 1 1 A 79 79 ASP CA C 79 57.159 55.663 1.496 1
1 921 . 5 1 1 A 79 79 ASP CB C 79 40.900 39.238 1.662 1
1 922 . 5 1 1 A 79 79 ASP N N 79 115.963 117.629 -1.666 1
1 923 . 5 1 1 A 80 80 GLY H H 80 7.305 8.052 -0.747 1
1 924 . 5 1 1 A 80 80 GLY HA2 H 80 4.047 3.967 0.080 1
1 925 . 5 1 1 A 80 80 GLY HA3 H 80 3.387 3.993 -0.606 1
1 926 . 5 1 1 A 80 80 GLY C C 80 174.263 174.501 -0.238 1
1 927 . 5 1 1 A 80 80 GLY CA C 80 44.276 45.439 -1.163 1
1 928 . 5 1 1 A 80 80 GLY N N 80 101.592 108.375 -6.783 1
1 929 . 5 1 1 A 81 81 LEU H H 81 7.307 7.117 0.190 1
1 930 . 5 1 1 A 81 81 LEU HA H 81 4.494 4.170 0.324 1
1 940 . 5 1 1 A 81 81 LEU C C 81 176.212 176.493 -0.281 1
1 941 . 5 1 1 A 81 81 LEU CA C 81 56.346 55.829 0.517 1
1 942 . 5 1 1 A 81 81 LEU CB C 81 44.025 42.238 1.787 1
1 946 . 5 1 1 A 81 81 LEU N N 81 121.062 121.721 -0.659 1
1 947 . 5 1 1 A 82 82 LEU H H 82 8.286 8.701 -0.415 1
1 948 . 5 1 1 A 82 82 LEU HA H 82 5.260 4.831 0.429 1
1 958 . 5 1 1 A 82 82 LEU C C 82 175.122 174.567 0.555 1
1 959 . 5 1 1 A 82 82 LEU CA C 82 55.334 54.832 0.502 1
1 960 . 5 1 1 A 82 82 LEU CB C 82 46.064 45.187 0.877 1
1 964 . 5 1 1 A 82 82 LEU N N 82 118.524 123.103 -4.579 1
1 965 . 5 1 1 A 83 83 THR H H 83 9.095 8.745 0.350 1
1 966 . 5 1 1 A 83 83 THR HA H 83 5.305 5.454 -0.149 1
1 971 . 5 1 1 A 83 83 THR C C 83 173.754 173.507 0.247 1
1 972 . 5 1 1 A 83 83 THR CA C 83 61.076 61.602 -0.526 1
1 973 . 5 1 1 A 83 83 THR CB C 83 71.268 70.924 0.344 1
1 975 . 5 1 1 A 83 83 THR N N 83 120.894 123.334 -2.440 1
1 976 . 5 1 1 A 84 84 VAL H H 84 9.175 8.918 0.257 1
1 977 . 5 1 1 A 84 84 VAL HA H 84 4.205 4.722 -0.517 1
1 985 . 5 1 1 A 84 84 VAL C C 84 173.741 174.622 -0.881 1
1 986 . 5 1 1 A 84 84 VAL CA C 84 61.182 60.497 0.685 1
1 987 . 5 1 1 A 84 84 VAL CB C 84 32.921 34.616 -1.695 1
1 990 . 5 1 1 A 84 84 VAL N N 84 127.342 124.929 2.413 1
1 991 . 5 1 1 A 85 85 ASN H H 85 8.597 9.187 -0.590 1
1 992 . 5 1 1 A 85 85 ASN HA H 85 4.960 5.255 -0.295 1
1 997 . 5 1 1 A 85 85 ASN C C 85 174.440 174.177 0.263 1
1 998 . 5 1 1 A 85 85 ASN CA C 85 52.870 52.193 0.677 1
1 999 . 5 1 1 A 85 85 ASN CB C 85 39.214 40.538 -1.324 1
1 1000 . 5 1 1 A 85 85 ASN N N 85 125.999 125.427 0.572 1
1 1002 . 5 1 1 A 86 86 LEU H H 86 8.283 9.123 -0.840 1
1 1003 . 5 1 1 A 86 86 LEU HA H 86 5.176 4.825 0.351 1
1 1013 . 5 1 1 A 86 86 LEU C C 86 178.644 177.998 0.646 1
1 1014 . 5 1 1 A 86 86 LEU CA C 86 53.700 53.415 0.285 1
1 1015 . 5 1 1 A 86 86 LEU CB C 86 42.298 43.391 -1.093 1
1 1019 . 5 1 1 A 86 86 LEU N N 86 125.763 124.274 1.489 1
1 1020 . 5 1 1 A 87 87 ARG H H 87 8.655 9.187 -0.532 1
1 1021 . 5 1 1 A 87 87 ARG HA H 87 3.905 4.084 -0.179 1
1 1028 . 5 1 1 A 87 87 ARG C C 87 177.223 178.081 -0.858 1
1 1029 . 5 1 1 A 87 87 ARG CA C 87 59.717 58.877 0.840 1
1 1030 . 5 1 1 A 87 87 ARG CB C 87 29.280 29.874 -0.594 1
1 1033 . 5 1 1 A 87 87 ARG N N 87 123.105 122.977 0.128 1
1 1034 . 5 1 1 A 88 88 GLU H H 88 8.525 8.000 0.525 1
1 1035 . 5 1 1 A 88 88 GLU HA H 88 4.515 4.152 0.363 1
1 1040 . 5 1 1 A 88 88 GLU C C 88 175.762 176.794 -1.032 1
1 1041 . 5 1 1 A 88 88 GLU CA C 88 55.852 57.790 -1.938 1
1 1042 . 5 1 1 A 88 88 GLU CB C 88 30.249 29.896 0.353 1
1 1044 . 5 1 1 A 88 88 GLU N N 88 117.722 117.597 0.125 1
1 1045 . 5 1 1 A 89 89 GLY H H 89 8.063 7.836 0.227 1
1 1046 . 5 1 1 A 89 89 GLY HA2 H 89 3.735 4.061 -0.326 1
1 1047 . 5 1 1 A 89 89 GLY HA3 H 89 4.536 4.064 0.472 1
1 1048 . 5 1 1 A 89 89 GLY C C 89 173.864 173.596 0.268 1
1 1049 . 5 1 1 A 89 89 GLY CA C 89 44.222 45.451 -1.229 1
1 1050 . 5 1 1 A 89 89 GLY N N 89 110.616 109.446 1.170 1
1 1051 . 5 1 1 A 90 90 SER H H 90 8.094 7.832 0.262 1
1 1052 . 5 1 1 A 90 90 SER HA H 90 4.484 5.051 -0.567 1
1 1055 . 5 1 1 A 90 90 SER C C 90 172.813 172.616 0.197 1
1 1056 . 5 1 1 A 90 90 SER CA C 90 58.552 57.489 1.063 1
1 1057 . 5 1 1 A 90 90 SER CB C 90 63.915 67.150 -3.235 1
1 1058 . 5 1 1 A 90 90 SER N N 90 116.620 114.683 1.937 1
1 1059 . 5 1 1 A 91 91 ARG H H 91 8.285 8.653 -0.368 1
1 1060 . 5 1 1 A 91 91 ARG HA H 91 4.725 5.204 -0.479 1
1 1067 . 5 1 1 A 91 91 ARG C C 91 175.511 175.048 0.463 1
1 1068 . 5 1 1 A 91 91 ARG CA C 91 55.870 53.837 2.033 1
1 1069 . 5 1 1 A 91 91 ARG CB C 91 32.058 34.141 -2.083 1
1 1072 . 5 1 1 A 91 91 ARG N N 91 121.045 119.271 1.774 1
1 1073 . 5 1 1 A 92 92 LEU H H 92 8.485 9.286 -0.801 1
1 1074 . 5 1 1 A 92 92 LEU HA H 92 4.555 4.736 -0.181 1
1 1084 . 5 1 1 A 92 92 LEU C C 92 174.815 175.716 -0.901 1
1 1085 . 5 1 1 A 92 92 LEU CA C 92 53.629 53.581 0.048 1
1 1086 . 5 1 1 A 92 92 LEU CB C 92 44.066 43.367 0.699 1
1 1090 . 5 1 1 A 92 92 LEU N N 92 123.633 123.134 0.499 1
1 1091 . 5 1 1 A 93 93 HIS H H 93 8.871 8.806 0.065 1
1 1092 . 5 1 1 A 93 93 HIS HA H 93 5.135 4.889 0.246 1
1 1097 . 5 1 1 A 93 93 HIS C C 93 173.251 175.298 -2.047 1
1 1098 . 5 1 1 A 93 93 HIS CA C 93 56.135 56.014 0.121 1
1 1099 . 5 1 1 A 93 93 HIS CB C 93 30.701 30.272 0.429 1
1 1101 . 5 1 1 A 93 93 HIS N N 93 124.492 123.993 0.499 1
1 1102 . 5 1 1 A 94 94 LEU H H 94 9.105 8.903 0.202 1
1 1103 . 5 1 1 A 94 94 LEU HA H 94 5.940 5.435 0.505 1
1 1113 . 5 1 1 A 94 94 LEU C C 94 177.396 175.739 1.657 1
1 1114 . 5 1 1 A 94 94 LEU CA C 94 52.552 53.583 -1.031 1
1 1115 . 5 1 1 A 94 94 LEU CB C 94 45.465 46.565 -1.100 1
1 1119 . 5 1 1 A 94 94 LEU N N 94 122.911 124.579 -1.668 1
1 1120 . 5 1 1 A 95 95 CYS H H 95 8.953 8.758 0.195 1
1 1121 . 5 1 1 A 95 95 CYS HA H 95 4.863 4.981 -0.118 1
1 1124 . 5 1 1 A 95 95 CYS C C 95 172.585 173.746 -1.161 1
1 1125 . 5 1 1 A 95 95 CYS CA C 95 59.964 57.708 2.256 1
1 1126 . 5 1 1 A 95 95 CYS CB C 95 29.220 30.444 -1.224 1
1 1127 . 5 1 1 A 95 95 CYS N N 95 118.920 119.616 -0.696 1
1 1128 . 5 1 1 A 96 96 ALA H H 96 9.465 8.742 0.723 1
1 1129 . 5 1 1 A 96 96 ALA HA H 96 5.035 4.731 0.304 1
1 1133 . 5 1 1 A 96 96 ALA C C 96 177.396 178.701 -1.305 1
1 1134 . 5 1 1 A 96 96 ALA CA C 96 50.205 51.093 -0.888 1
1 1135 . 5 1 1 A 96 96 ALA CB C 96 21.571 21.081 0.490 1
1 1136 . 5 1 1 A 96 96 ALA N N 96 132.924 129.174 3.750 1
1 1137 . 5 1 1 A 97 97 GLU H H 97 9.636 8.883 0.753 1
1 1138 . 5 1 1 A 97 97 GLU HA H 97 4.344 4.258 0.086 1
1 1143 . 5 1 1 A 97 97 GLU C C 97 176.882 176.594 0.288 1
1 1144 . 5 1 1 A 97 97 GLU CA C 97 58.040 58.668 -0.628 1
1 1145 . 5 1 1 A 97 97 GLU CB C 97 30.207 29.466 0.741 1
1 1147 . 5 1 1 A 97 97 GLU N N 97 116.636 118.618 -1.982 1
1 1148 . 5 1 1 A 98 98 THR H H 98 7.155 7.738 -0.583 1
1 1149 . 5 1 1 A 98 98 THR HA H 98 4.684 4.689 -0.005 1
1 1154 . 5 1 1 A 98 98 THR C C 98 174.259 174.791 -0.532 1
1 1155 . 5 1 1 A 98 98 THR CA C 98 58.323 59.335 -1.012 1
1 1156 . 5 1 1 A 98 98 THR CB C 98 73.529 72.194 1.335 1
1 1158 . 5 1 1 A 98 98 THR N N 98 102.167 110.345 -8.178 1
1 1159 . 5 1 1 A 99 99 ARG H H 99 9.025 9.035 -0.010 1
1 1160 . 5 1 1 A 99 99 ARG HA H 99 4.056 4.083 -0.027 1
1 1167 . 5 1 1 A 99 99 ARG C C 99 177.995 178.015 -0.020 1
1 1168 . 5 1 1 A 99 99 ARG CA C 99 59.029 57.897 1.132 1
1 1169 . 5 1 1 A 99 99 ARG CB C 99 30.208 29.621 0.587 1
1 1172 . 5 1 1 A 99 99 ARG N N 99 122.747 120.309 2.438 1
1 1173 . 5 1 1 A 100 100 ASP H H 100 8.387 8.022 0.365 1
1 1174 . 5 1 1 A 100 100 ASP HA H 100 4.306 4.459 -0.153 1
1 1177 . 5 1 1 A 100 100 ASP C C 100 179.110 177.996 1.114 1
1 1178 . 5 1 1 A 100 100 ASP CA C 100 57.475 56.649 0.826 1
1 1179 . 5 1 1 A 100 100 ASP CB C 100 40.201 41.126 -0.925 1
1 1180 . 5 1 1 A 100 100 ASP N N 100 116.422 119.811 -3.389 1
1 1181 . 5 1 1 A 101 101 ASP H H 101 8.046 7.843 0.203 1
1 1182 . 5 1 1 A 101 101 ASP HA H 101 4.576 4.324 0.252 1
1 1185 . 5 1 1 A 101 101 ASP C C 101 177.751 178.731 -0.980 1
1 1186 . 5 1 1 A 101 101 ASP CA C 101 57.229 57.205 0.024 1
1 1187 . 5 1 1 A 101 101 ASP CB C 101 42.093 40.127 1.966 1
1 1188 . 5 1 1 A 101 101 ASP N N 101 120.742 120.010 0.732 1
1 1189 . 5 1 1 A 102 102 ALA H H 102 7.674 7.539 0.135 1
1 1190 . 5 1 1 A 102 102 ALA HA H 102 4.084 4.216 -0.132 1
1 1194 . 5 1 1 A 102 102 ALA C C 102 179.609 179.864 -0.255 1
1 1195 . 5 1 1 A 102 102 ALA CA C 102 56.364 55.236 1.128 1
1 1196 . 5 1 1 A 102 102 ALA CB C 102 17.952 18.605 -0.653 1
1 1197 . 5 1 1 A 102 102 ALA N N 102 122.523 121.995 0.528 1
1 1198 . 5 1 1 A 103 103 ILE H H 103 8.499 7.640 0.859 1
1 1199 . 5 1 1 A 103 103 ILE HA H 103 3.681 3.659 0.022 1
1 1209 . 5 1 1 A 103 103 ILE C C 103 178.622 177.776 0.846 1
1 1210 . 5 1 1 A 103 103 ILE CA C 103 64.182 65.503 -1.321 1
1 1211 . 5 1 1 A 103 103 ILE CB C 103 37.240 37.981 -0.741 1
1 1215 . 5 1 1 A 103 103 ILE N N 103 117.417 117.981 -0.564 1
1 1216 . 5 1 1 A 104 104 ALA H H 104 8.174 8.215 -0.041 1
1 1217 . 5 1 1 A 104 104 ALA HA H 104 4.095 4.016 0.079 1
1 1221 . 5 1 1 A 104 104 ALA C C 104 181.998 179.375 2.623 1
1 1222 . 5 1 1 A 104 104 ALA CA C 104 55.517 55.007 0.510 1
1 1223 . 5 1 1 A 104 104 ALA CB C 104 17.294 18.505 -1.211 1
1 1224 . 5 1 1 A 104 104 ALA N N 104 124.916 121.445 3.471 1
1 1225 . 5 1 1 A 105 105 TRP H H 105 8.365 7.905 0.460 1
1 1226 . 5 1 1 A 105 105 TRP HA H 105 4.025 4.406 -0.381 1
1 1235 . 5 1 1 A 105 105 TRP C C 105 177.969 178.640 -0.671 1
1 1236 . 5 1 1 A 105 105 TRP CA C 105 62.011 60.072 1.939 1
1 1237 . 5 1 1 A 105 105 TRP CB C 105 29.179 29.042 0.137 1
1 1243 . 5 1 1 A 105 105 TRP N N 105 119.726 118.136 1.590 1
1 1245 . 5 1 1 A 106 106 LYS H H 106 8.746 8.257 0.489 1
1 1246 . 5 1 1 A 106 106 LYS HA H 106 3.805 4.129 -0.324 1
1 1255 . 5 1 1 A 106 106 LYS C C 106 177.626 179.066 -1.440 1
1 1256 . 5 1 1 A 106 106 LYS CA C 106 60.865 59.323 1.542 1
1 1257 . 5 1 1 A 106 106 LYS CB C 106 31.606 32.049 -0.443 1
1 1261 . 5 1 1 A 106 106 LYS N N 106 120.565 120.475 0.090 1
1 1262 . 5 1 1 A 107 107 THR H H 107 8.714 8.117 0.597 1
1 1263 . 5 1 1 A 107 107 THR HA H 107 3.774 3.887 -0.113 1
1 1268 . 5 1 1 A 107 107 THR C C 107 176.238 176.110 0.128 1
1 1269 . 5 1 1 A 107 107 THR CA C 107 66.688 66.896 -0.208 1
1 1270 . 5 1 1 A 107 107 THR CB C 107 69.065 68.813 0.252 1
1 1272 . 5 1 1 A 107 107 THR N N 107 115.018 118.645 -3.627 1
1 1273 . 5 1 1 A 108 108 ALA H H 108 7.769 8.097 -0.328 1
1 1274 . 5 1 1 A 108 108 ALA HA H 108 4.094 4.069 0.025 1
1 1278 . 5 1 1 A 108 108 ALA C C 108 180.611 179.925 0.686 1
1 1279 . 5 1 1 A 108 108 ALA CA C 108 55.005 55.016 -0.011 1
1 1280 . 5 1 1 A 108 108 ALA CB C 108 18.015 18.250 -0.235 1
1 1281 . 5 1 1 A 108 108 ALA N N 108 123.150 123.527 -0.377 1
1 1282 . 5 1 1 A 109 109 LEU H H 109 8.795 8.179 0.616 1
1 1283 . 5 1 1 A 109 109 LEU HA H 109 4.045 4.144 -0.099 1
1 1293 . 5 1 1 A 109 109 LEU C C 109 178.758 179.059 -0.301 1
1 1294 . 5 1 1 A 109 109 LEU CA C 109 58.093 57.939 0.154 1
1 1295 . 5 1 1 A 109 109 LEU CB C 109 42.298 42.073 0.225 1
1 1299 . 5 1 1 A 109 109 LEU N N 109 118.714 120.396 -1.682 1
1 1300 . 5 1 1 A 110 110 MET H H 110 8.582 8.563 0.019 1
1 1301 . 5 1 1 A 110 110 MET HA H 110 4.404 4.026 0.378 1
1 1309 . 5 1 1 A 110 110 MET C C 110 180.290 178.916 1.374 1
1 1310 . 5 1 1 A 110 110 MET CA C 110 56.876 58.725 -1.849 1
1 1311 . 5 1 1 A 110 110 MET CB C 110 30.002 31.982 -1.980 1
1 1314 . 5 1 1 A 110 110 MET N N 110 117.122 116.312 0.810 1
1 1315 . 5 1 1 A 111 111 GLU H H 111 8.062 7.787 0.275 1
1 1316 . 5 1 1 A 111 111 GLU HA H 111 4.126 3.986 0.140 1
1 1321 . 5 1 1 A 111 111 GLU C C 111 179.237 178.706 0.531 1
1 1322 . 5 1 1 A 111 111 GLU CA C 111 59.435 58.988 0.447 1
1 1323 . 5 1 1 A 111 111 GLU CB C 111 29.015 29.890 -0.875 1
1 1325 . 5 1 1 A 111 111 GLU N N 111 121.532 119.390 2.142 1
1 1326 . 5 1 1 A 112 112 ALA H H 112 7.975 7.745 0.230 1
1 1327 . 5 1 1 A 112 112 ALA HA H 112 4.265 4.109 0.156 1
1 1331 . 5 1 1 A 112 112 ALA C C 112 179.608 179.891 -0.283 1
1 1332 . 5 1 1 A 112 112 ALA CA C 112 54.158 54.957 -0.799 1
1 1333 . 5 1 1 A 112 112 ALA CB C 112 19.530 18.510 1.020 1
1 1334 . 5 1 1 A 112 112 ALA N N 112 121.838 122.518 -0.680 1
1 1335 . 5 1 1 A 113 113 ASN H H 113 8.115 8.395 -0.280 1
1 1336 . 5 1 1 A 113 113 ASN HA H 113 4.822 4.677 0.145 1
1 1341 . 5 1 1 A 113 113 ASN C C 113 176.296 175.777 0.519 1
1 1342 . 5 1 1 A 113 113 ASN CA C 113 56.311 56.105 0.206 1
1 1343 . 5 1 1 A 113 113 ASN CB C 113 40.283 38.530 1.753 1
1 1344 . 5 1 1 A 113 113 ASN N N 113 115.563 117.888 -2.325 1
1 1346 . 5 1 1 A 114 114 SER H H 114 7.365 7.893 -0.528 1
1 1347 . 5 1 1 A 114 114 SER HA H 114 4.545 3.659 0.886 1
1 1350 . 5 1 1 A 114 114 SER C C 114 174.126 173.333 0.793 1
1 1351 . 5 1 1 A 114 114 SER CA C 114 58.464 56.858 1.606 1
1 1352 . 5 1 1 A 114 114 SER CB C 114 64.400 63.129 1.271 1
1 1353 . 5 1 1 A 114 114 SER N N 114 108.652 108.642 0.010 1
1 1354 . 5 1 1 A 115 115 THR H H 115 7.849 7.303 0.546 1
1 1355 . 5 1 1 A 115 115 THR HA H 115 4.599 4.838 -0.239 1
1 1360 . 5 1 1 A 115 115 THR C C 115 172.337 172.302 0.035 1
1 1361 . 5 1 1 A 115 115 THR CA C 115 60.817 59.143 1.674 1
1 1362 . 5 1 1 A 115 115 THR CB C 115 70.016 71.677 -1.661 1
1 1364 . 5 1 1 A 115 115 THR N N 115 118.885 115.425 3.460 1
1 1365 . 5 1 1 A 116 116 PRO HA H 116 4.404 4.783 -0.379 1
1 1372 . 5 1 1 A 116 116 PRO CA C 116 63.007 62.528 0.479 1
1 1373 . 5 1 1 A 116 116 PRO CB C 116 32.346 33.448 -1.102 1
1 1376 . 5 1 1 A 117 117 ALA H H 117 8.429 8.241 0.188 1
1 1377 . 5 1 1 A 117 117 ALA HA H 117 4.535 4.835 -0.300 1
1 1381 . 5 1 1 A 117 117 ALA CA C 117 50.359 49.465 0.894 1
1 1382 . 5 1 1 A 117 117 ALA CB C 117 18.069 19.907 -1.838 1
1 1383 . 5 1 1 A 117 117 ALA N N 117 125.693 123.517 2.176 1
1 1384 . 5 1 1 A 118 118 PRO HA H 118 4.377 4.702 -0.325 1
1 1391 . 5 1 1 A 118 118 PRO C C 118 176.656 175.739 0.917 1
1 1392 . 5 1 1 A 118 118 PRO CA C 118 63.105 62.420 0.685 1
1 1393 . 5 1 1 A 118 118 PRO CB C 118 31.935 29.728 2.207 1
1 1396 . 5 1 1 A 119 119 ALA H H 119 8.430 7.778 0.652 1
1 1397 . 5 1 1 A 119 119 ALA HA H 119 4.255 4.880 -0.625 1
1 1401 . 5 1 1 A 119 119 ALA C C 119 178.416 176.023 2.393 1
1 1402 . 5 1 1 A 119 119 ALA CA C 119 52.744 51.703 1.041 1
1 1403 . 5 1 1 A 119 119 ALA CB C 119 19.186 21.991 -2.805 1
1 1404 . 5 1 1 A 119 119 ALA N N 119 124.565 125.593 -1.028 1
1 1405 . 5 1 1 A 120 120 GLY H H 120 8.375 8.492 -0.117 1
1 1406 . 5 1 1 A 120 120 GLY HA2 H 120 3.934 4.206 -0.272 1
1 1407 . 5 1 1 A 120 120 GLY HA3 H 120 3.934 4.207 -0.273 1
1 1408 . 5 1 1 A 120 120 GLY C C 120 173.810 172.964 0.846 1
1 1409 . 5 1 1 A 120 120 GLY CA C 120 45.176 45.818 -0.642 1
1 1410 . 5 1 1 A 120 120 GLY N N 120 108.353 109.045 -0.692 1
1 1411 . 5 1 1 A 121 121 ALA H H 121 8.116 7.990 0.126 1
1 1412 . 5 1 1 A 121 121 ALA HA H 121 4.379 4.292 0.087 1
1 1416 . 5 1 1 A 121 121 ALA C C 121 177.908 178.633 -0.725 1
1 1417 . 5 1 1 A 121 121 ALA CA C 121 52.446 52.559 -0.113 1
1 1418 . 5 1 1 A 121 121 ALA CB C 121 19.433 19.645 -0.212 1
1 1419 . 5 1 1 A 121 121 ALA N N 121 123.561 123.214 0.347 1
1 1420 . 5 1 1 A 122 122 THR H H 122 8.212 8.435 -0.223 1
1 1421 . 5 1 1 A 122 122 THR C C 122 174.317 174.614 -0.297 1
1 1422 . 5 1 1 A 122 122 THR CA C 122 61.888 64.200 -2.312 1
1 1423 . 5 1 1 A 122 122 THR CB C 122 69.648 69.144 0.504 1
1 1425 . 5 1 1 A 122 122 THR N N 122 114.319 112.610 1.709 1
1 1426 . 5 1 1 A 123 123 VAL H H 123 8.222 7.571 0.651 1
1 1427 . 5 1 1 A 123 123 VAL HA H 123 4.455 4.430 0.025 1
1 1435 . 5 1 1 A 123 123 VAL C C 123 174.373 174.459 -0.086 1
1 1436 . 5 1 1 A 123 123 VAL CA C 123 59.717 60.173 -0.456 1
1 1437 . 5 1 1 A 123 123 VAL CB C 123 32.593 32.936 -0.343 1
1 1440 . 5 1 1 A 123 123 VAL N N 123 124.311 122.703 1.608 1
1 1441 . 5 1 1 A 124 124 PRO HA H 124 4.403 4.751 -0.348 1
1 1446 . 5 1 1 A 124 124 PRO C C 124 176.873 176.445 0.428 1
1 1447 . 5 1 1 A 124 124 PRO CA C 124 63.211 62.559 0.652 1
1 1448 . 5 1 1 A 124 124 PRO CB C 124 32.017 31.755 0.262 1
1 1451 . 5 1 1 A 125 125 SER H H 125 8.426 8.593 -0.167 1
1 1452 . 5 1 1 A 125 125 SER HA H 125 4.448 5.241 -0.793 1
1 1455 . 5 1 1 A 125 125 SER C C 125 174.598 173.709 0.889 1
1 1456 . 5 1 1 A 125 125 SER CA C 125 58.341 56.580 1.761 1
1 1457 . 5 1 1 A 125 125 SER CB C 125 64.054 66.336 -2.282 1
1 1458 . 5 1 1 A 125 125 SER N N 125 116.463 114.008 2.455 1
1 1459 . 5 1 1 A 126 126 GLY H H 126 8.233 8.475 -0.242 1
1 1460 . 5 1 1 A 126 126 GLY C C 126 171.756 171.876 -0.120 1
1 1461 . 5 1 1 A 126 126 GLY CA C 126 44.611 44.886 -0.275 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.445 5.175 -0.730 1
1 4 . 6 1 1 A 6 6 SER C C 6 174.707 174.789 -0.082 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.482 56.926 1.556 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.848 63.946 -0.098 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.494 8.927 -0.433 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 4.105 4.095 0.010 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 4.105 4.113 -0.008 1
1 10 . 6 1 1 A 7 7 GLY C C 7 172.961 173.948 -0.987 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.864 45.769 0.095 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.325 113.851 -3.526 1
1 13 . 6 1 1 A 8 8 LEU H H 8 8.295 7.892 0.403 1
1 14 . 6 1 1 A 8 8 LEU HA H 8 4.268 4.835 -0.567 1
1 24 . 6 1 1 A 8 8 LEU C C 8 176.773 175.946 0.827 1
1 25 . 6 1 1 A 8 8 LEU CA C 8 55.587 53.783 1.804 1
1 26 . 6 1 1 A 8 8 LEU CB C 8 43.367 43.566 -0.199 1
1 30 . 6 1 1 A 8 8 LEU N N 8 123.800 122.937 0.863 1
1 31 . 6 1 1 A 9 9 VAL H H 9 9.290 8.906 0.384 1
1 32 . 6 1 1 A 9 9 VAL HA H 9 3.826 3.957 -0.131 1
1 40 . 6 1 1 A 9 9 VAL C C 9 176.540 175.776 0.764 1
1 41 . 6 1 1 A 9 9 VAL CA C 9 64.888 64.213 0.675 1
1 42 . 6 1 1 A 9 9 VAL CB C 9 32.264 32.400 -0.136 1
1 45 . 6 1 1 A 9 9 VAL N N 9 129.415 127.137 2.278 1
1 46 . 6 1 1 A 10 10 ARG H H 10 7.135 7.390 -0.255 1
1 47 . 6 1 1 A 10 10 ARG HA H 10 4.126 4.618 -0.492 1
1 55 . 6 1 1 A 10 10 ARG C C 10 171.942 174.384 -2.442 1
1 56 . 6 1 1 A 10 10 ARG CA C 10 55.800 55.480 0.320 1
1 57 . 6 1 1 A 10 10 ARG CB C 10 32.223 33.688 -1.465 1
1 60 . 6 1 1 A 10 10 ARG N N 10 117.246 117.444 -0.198 1
1 62 . 6 1 1 A 11 11 GLY H H 11 8.390 8.337 0.053 1
1 63 . 6 1 1 A 11 11 GLY HA2 H 11 3.204 3.997 -0.793 1
1 64 . 6 1 1 A 11 11 GLY HA3 H 11 5.336 4.052 1.284 1
1 65 . 6 1 1 A 11 11 GLY C C 11 172.895 172.310 0.585 1
1 66 . 6 1 1 A 11 11 GLY CA C 11 43.481 44.322 -0.841 1
1 67 . 6 1 1 A 11 11 GLY N N 11 113.527 110.541 2.986 1
1 68 . 6 1 1 A 12 12 GLY H H 12 7.935 8.085 -0.150 1
1 69 . 6 1 1 A 12 12 GLY C C 12 171.502 172.067 -0.565 1
1 70 . 6 1 1 A 12 12 GLY CA C 12 46.093 45.403 0.690 1
1 71 . 6 1 1 A 13 13 TRP H H 13 8.904 9.115 -0.211 1
1 72 . 6 1 1 A 13 13 TRP HA H 13 5.205 5.340 -0.135 1
1 81 . 6 1 1 A 13 13 TRP C C 13 177.926 176.764 1.162 1
1 82 . 6 1 1 A 13 13 TRP CA C 13 57.846 58.051 -0.205 1
1 83 . 6 1 1 A 13 13 TRP CB C 13 30.290 30.723 -0.433 1
1 89 . 6 1 1 A 13 13 TRP N N 13 121.758 121.671 0.087 1
1 91 . 6 1 1 A 14 14 LEU H H 14 9.295 8.743 0.552 1
1 92 . 6 1 1 A 14 14 LEU HA H 14 4.683 4.822 -0.139 1
1 102 . 6 1 1 A 14 14 LEU C C 14 175.828 176.511 -0.683 1
1 103 . 6 1 1 A 14 14 LEU CA C 14 54.670 53.849 0.821 1
1 104 . 6 1 1 A 14 14 LEU CB C 14 47.562 45.904 1.658 1
1 108 . 6 1 1 A 14 14 LEU N N 14 123.447 123.050 0.397 1
1 109 . 6 1 1 A 15 15 TRP H H 15 8.655 8.647 0.008 1
1 110 . 6 1 1 A 15 15 TRP HA H 15 5.315 5.347 -0.032 1
1 119 . 6 1 1 A 15 15 TRP C C 15 175.899 176.200 -0.301 1
1 120 . 6 1 1 A 15 15 TRP CA C 15 57.159 58.130 -0.971 1
1 121 . 6 1 1 A 15 15 TRP CB C 15 30.759 30.022 0.737 1
1 127 . 6 1 1 A 15 15 TRP N N 15 119.571 124.691 -5.120 1
1 129 . 6 1 1 A 16 16 ARG H H 16 10.145 9.421 0.724 1
1 130 . 6 1 1 A 16 16 ARG HA H 16 5.495 5.625 -0.130 1
1 138 . 6 1 1 A 16 16 ARG C C 16 174.930 175.420 -0.490 1
1 139 . 6 1 1 A 16 16 ARG CA C 16 54.334 53.918 0.416 1
1 140 . 6 1 1 A 16 16 ARG CB C 16 34.808 34.232 0.576 1
1 143 . 6 1 1 A 16 16 ARG N N 16 121.997 125.234 -3.237 1
1 145 . 6 1 1 A 17 17 GLN H H 17 8.233 8.087 0.146 1
1 146 . 6 1 1 A 17 17 GLN HA H 17 3.797 4.403 -0.606 1
1 153 . 6 1 1 A 17 17 GLN C C 17 175.654 176.354 -0.700 1
1 154 . 6 1 1 A 17 17 GLN CA C 17 55.446 55.055 0.391 1
1 155 . 6 1 1 A 17 17 GLN CB C 17 29.056 29.599 -0.543 1
1 157 . 6 1 1 A 17 17 GLN N N 17 128.414 125.354 3.060 1
1 159 . 6 1 1 A 18 18 SER H H 18 8.635 8.504 0.131 1
1 160 . 6 1 1 A 18 18 SER HA H 18 4.575 4.436 0.139 1
1 163 . 6 1 1 A 18 18 SER C C 18 175.585 175.537 0.048 1
1 164 . 6 1 1 A 18 18 SER CA C 18 57.246 58.416 -1.170 1
1 165 . 6 1 1 A 18 18 SER CB C 18 64.012 64.325 -0.313 1
1 166 . 6 1 1 A 18 18 SER N N 18 122.600 119.358 3.242 1
1 167 . 6 1 1 A 20 20 ILE H H 20 7.976 7.361 0.615 1
1 168 . 6 1 1 A 20 20 ILE HA H 20 4.036 4.401 -0.365 1
1 178 . 6 1 1 A 20 20 ILE C C 20 176.929 176.507 0.422 1
1 179 . 6 1 1 A 20 20 ILE CA C 20 62.929 59.741 3.188 1
1 180 . 6 1 1 A 20 20 ILE CB C 20 37.912 37.471 0.441 1
1 184 . 6 1 1 A 20 20 ILE N N 20 120.700 114.397 6.303 1
1 185 . 6 1 1 A 21 21 LEU H H 21 8.089 7.808 0.281 1
1 186 . 6 1 1 A 21 21 LEU HA H 21 4.159 4.554 -0.395 1
1 196 . 6 1 1 A 21 21 LEU C C 21 176.455 176.418 0.037 1
1 197 . 6 1 1 A 21 21 LEU CA C 21 55.287 54.831 0.456 1
1 198 . 6 1 1 A 21 21 LEU CB C 21 42.051 43.885 -1.834 1
1 202 . 6 1 1 A 21 21 LEU N N 21 119.540 123.178 -3.638 1
1 203 . 6 1 1 A 22 22 ARG H H 22 7.687 7.767 -0.080 1
1 204 . 6 1 1 A 22 22 ARG HA H 22 3.806 3.680 0.126 1
1 211 . 6 1 1 A 22 22 ARG C C 22 175.087 174.245 0.842 1
1 212 . 6 1 1 A 22 22 ARG CA C 22 56.788 57.038 -0.250 1
1 213 . 6 1 1 A 22 22 ARG CB C 22 27.130 27.105 0.025 1
1 216 . 6 1 1 A 22 22 ARG N N 22 114.383 117.129 -2.746 1
1 217 . 6 1 1 A 23 23 ARG H H 23 7.392 7.648 -0.256 1
1 218 . 6 1 1 A 23 23 ARG HA H 23 4.603 5.016 -0.413 1
1 225 . 6 1 1 A 23 23 ARG C C 23 176.112 174.719 1.393 1
1 226 . 6 1 1 A 23 23 ARG CA C 23 54.846 54.303 0.543 1
1 227 . 6 1 1 A 23 23 ARG CB C 23 32.387 33.424 -1.037 1
1 230 . 6 1 1 A 23 23 ARG N N 23 115.846 117.804 -1.958 1
1 231 . 6 1 1 A 24 24 TRP H H 24 9.013 8.684 0.329 1
1 232 . 6 1 1 A 24 24 TRP HA H 24 5.154 5.150 0.004 1
1 241 . 6 1 1 A 24 24 TRP C C 24 176.347 176.719 -0.372 1
1 242 . 6 1 1 A 24 24 TRP CA C 24 57.546 58.363 -0.817 1
1 243 . 6 1 1 A 24 24 TRP CB C 24 31.112 30.785 0.327 1
1 249 . 6 1 1 A 24 24 TRP N N 24 123.861 127.810 -3.949 1
1 251 . 6 1 1 A 25 25 LYS H H 25 9.553 9.917 -0.364 1
1 252 . 6 1 1 A 25 25 LYS HA H 25 4.992 5.379 -0.387 1
1 261 . 6 1 1 A 25 25 LYS C C 25 173.887 175.104 -1.217 1
1 262 . 6 1 1 A 25 25 LYS CA C 25 55.023 54.584 0.439 1
1 263 . 6 1 1 A 25 25 LYS CB C 25 35.965 36.367 -0.402 1
1 267 . 6 1 1 A 25 25 LYS N N 25 123.241 120.566 2.675 1
1 268 . 6 1 1 A 26 26 ARG H H 26 8.705 8.593 0.112 1
1 269 . 6 1 1 A 26 26 ARG HA H 26 4.494 4.614 -0.120 1
1 276 . 6 1 1 A 26 26 ARG C C 26 175.755 175.495 0.260 1
1 277 . 6 1 1 A 26 26 ARG CA C 26 56.046 55.627 0.419 1
1 278 . 6 1 1 A 26 26 ARG CB C 26 30.783 31.036 -0.253 1
1 281 . 6 1 1 A 26 26 ARG N N 26 124.843 122.059 2.784 1
1 282 . 6 1 1 A 27 27 ASN H H 27 9.100 8.451 0.649 1
1 283 . 6 1 1 A 27 27 ASN HA H 27 5.235 5.291 -0.056 1
1 288 . 6 1 1 A 27 27 ASN CA C 27 54.041 51.848 2.193 1
1 289 . 6 1 1 A 27 27 ASN CB C 27 46.737 42.940 3.797 1
1 290 . 6 1 1 A 27 27 ASN N N 27 123.044 121.405 1.639 1
1 292 . 6 1 1 A 28 28 TRP H H 28 7.835 8.098 -0.263 1
1 293 . 6 1 1 A 28 28 TRP HA H 28 4.105 5.050 -0.945 1
1 299 . 6 1 1 A 28 28 TRP N N 28 122.540 124.217 -1.677 1
1 300 . 6 1 1 A 29 29 PHE H H 29 8.755 8.717 0.038 1
1 301 . 6 1 1 A 29 29 PHE HA H 29 5.001 4.898 0.103 1
1 309 . 6 1 1 A 29 29 PHE CA C 29 56.692 55.778 0.914 1
1 310 . 6 1 1 A 29 29 PHE CB C 29 42.284 40.780 1.504 1
1 316 . 6 1 1 A 29 29 PHE N N 29 129.716 126.883 2.833 1
1 317 . 6 1 1 A 30 30 ALA H H 30 8.695 8.364 0.331 1
1 321 . 6 1 1 A 30 30 ALA C C 30 173.958 174.584 -0.626 1
1 322 . 6 1 1 A 30 30 ALA CA C 30 50.611 50.374 0.237 1
1 323 . 6 1 1 A 30 30 ALA CB C 30 22.570 22.645 -0.075 1
1 324 . 6 1 1 A 31 31 LEU H H 31 8.815 8.457 0.358 1
1 325 . 6 1 1 A 31 31 LEU HA H 31 5.003 4.720 0.283 1
1 335 . 6 1 1 A 31 31 LEU C C 31 174.414 174.595 -0.181 1
1 336 . 6 1 1 A 31 31 LEU CA C 31 53.240 53.664 -0.424 1
1 337 . 6 1 1 A 31 31 LEU CB C 31 44.783 44.631 0.152 1
1 341 . 6 1 1 A 31 31 LEU N N 31 124.610 123.971 0.639 1
1 342 . 6 1 1 A 32 32 TRP H H 32 9.045 8.578 0.467 1
1 343 . 6 1 1 A 32 32 TRP HA H 32 5.499 5.288 0.211 1
1 352 . 6 1 1 A 32 32 TRP C C 32 178.871 177.027 1.844 1
1 353 . 6 1 1 A 32 32 TRP CA C 32 55.552 55.788 -0.236 1
1 354 . 6 1 1 A 32 32 TRP CB C 32 32.346 32.677 -0.331 1
1 360 . 6 1 1 A 32 32 TRP N N 32 128.500 126.398 2.102 1
1 362 . 6 1 1 A 33 33 LEU H H 33 9.246 9.028 0.218 1
1 363 . 6 1 1 A 33 33 LEU HA H 33 4.075 4.182 -0.107 1
1 373 . 6 1 1 A 33 33 LEU C C 33 176.859 178.059 -1.200 1
1 374 . 6 1 1 A 33 33 LEU CA C 33 57.035 57.337 -0.302 1
1 375 . 6 1 1 A 33 33 LEU CB C 33 42.651 41.601 1.050 1
1 379 . 6 1 1 A 33 33 LEU N N 33 123.838 124.872 -1.034 1
1 380 . 6 1 1 A 34 34 ASP H H 34 7.536 7.993 -0.457 1
1 381 . 6 1 1 A 34 34 ASP HA H 34 4.395 4.721 -0.326 1
1 384 . 6 1 1 A 34 34 ASP C C 34 177.113 176.088 1.025 1
1 385 . 6 1 1 A 34 34 ASP CA C 34 53.805 54.392 -0.587 1
1 386 . 6 1 1 A 34 34 ASP CB C 34 39.625 41.573 -1.948 1
1 387 . 6 1 1 A 34 34 ASP N N 34 115.948 117.126 -1.178 1
1 388 . 6 1 1 A 35 35 GLY H H 35 8.264 7.843 0.421 1
1 389 . 6 1 1 A 35 35 GLY HA2 H 35 4.205 4.049 0.156 1
1 390 . 6 1 1 A 35 35 GLY HA3 H 35 3.895 4.050 -0.155 1
1 391 . 6 1 1 A 35 35 GLY C C 35 173.898 173.660 0.238 1
1 392 . 6 1 1 A 35 35 GLY CA C 35 46.216 46.873 -0.657 1
1 393 . 6 1 1 A 35 35 GLY N N 35 106.508 109.310 -2.802 1
1 394 . 6 1 1 A 36 36 THR H H 36 8.035 7.698 0.337 1
1 395 . 6 1 1 A 36 36 THR HA H 36 5.123 5.117 0.006 1
1 400 . 6 1 1 A 36 36 THR C C 36 170.669 172.557 -1.888 1
1 401 . 6 1 1 A 36 36 THR CA C 36 60.588 59.729 0.859 1
1 402 . 6 1 1 A 36 36 THR CB C 36 72.314 72.509 -0.195 1
1 404 . 6 1 1 A 36 36 THR N N 36 112.047 108.875 3.172 1
1 405 . 6 1 1 A 37 37 LEU H H 37 9.344 9.527 -0.183 1
1 406 . 6 1 1 A 37 37 LEU HA H 37 5.616 5.151 0.465 1
1 416 . 6 1 1 A 37 37 LEU C C 37 175.787 175.504 0.283 1
1 417 . 6 1 1 A 37 37 LEU CA C 37 52.799 53.687 -0.888 1
1 418 . 6 1 1 A 37 37 LEU CB C 37 46.698 44.319 2.379 1
1 422 . 6 1 1 A 37 37 LEU N N 37 122.915 125.935 -3.020 1
1 423 . 6 1 1 A 38 38 GLY H H 38 9.685 8.738 0.947 1
1 424 . 6 1 1 A 38 38 GLY HA2 H 38 5.074 4.207 0.867 1
1 425 . 6 1 1 A 38 38 GLY HA3 H 38 3.825 4.375 -0.550 1
1 426 . 6 1 1 A 38 38 GLY C C 38 172.258 172.285 -0.027 1
1 427 . 6 1 1 A 38 38 GLY CA C 38 43.676 44.129 -0.453 1
1 428 . 6 1 1 A 38 38 GLY N N 38 113.092 114.238 -1.146 1
1 429 . 6 1 1 A 39 39 TYR H H 39 7.362 7.635 -0.273 1
1 430 . 6 1 1 A 39 39 TYR HA H 39 5.251 5.899 -0.648 1
1 437 . 6 1 1 A 39 39 TYR C C 39 175.367 173.399 1.968 1
1 438 . 6 1 1 A 39 39 TYR CA C 39 54.282 54.988 -0.706 1
1 439 . 6 1 1 A 39 39 TYR CB C 39 37.774 41.242 -3.468 1
1 444 . 6 1 1 A 39 39 TYR N N 39 113.951 118.155 -4.204 1
1 445 . 6 1 1 A 40 40 TYR H H 40 9.315 8.813 0.502 1
1 446 . 6 1 1 A 40 40 TYR HA H 40 5.305 4.765 0.540 1
1 453 . 6 1 1 A 40 40 TYR C C 40 177.694 176.268 1.426 1
1 454 . 6 1 1 A 40 40 TYR CA C 40 57.185 56.400 0.785 1
1 455 . 6 1 1 A 40 40 TYR CB C 40 43.779 42.414 1.365 1
1 460 . 6 1 1 A 40 40 TYR N N 40 117.930 119.232 -1.302 1
1 461 . 6 1 1 A 41 41 HIS H H 41 8.658 8.943 -0.285 1
1 462 . 6 1 1 A 41 41 HIS HA H 41 4.654 4.324 0.330 1
1 467 . 6 1 1 A 41 41 HIS C C 41 174.858 175.197 -0.339 1
1 468 . 6 1 1 A 41 41 HIS CA C 41 59.159 59.118 0.041 1
1 469 . 6 1 1 A 41 41 HIS CB C 41 31.094 29.504 1.590 1
1 472 . 6 1 1 A 41 41 HIS N N 41 121.927 121.647 0.280 1
1 473 . 6 1 1 A 42 42 ASP H H 42 8.095 8.095 0.000 1
1 474 . 6 1 1 A 42 42 ASP HA H 42 4.795 4.904 -0.109 1
1 477 . 6 1 1 A 42 42 ASP C C 42 175.052 177.109 -2.057 1
1 478 . 6 1 1 A 42 42 ASP CA C 42 53.155 52.053 1.102 1
1 479 . 6 1 1 A 42 42 ASP CB C 42 41.860 42.217 -0.357 1
1 480 . 6 1 1 A 42 42 ASP N N 42 112.020 116.800 -4.780 1
1 481 . 6 1 1 A 43 43 GLU H H 43 8.899 9.145 -0.246 1
1 482 . 6 1 1 A 43 43 GLU C C 43 176.336 176.135 0.201 1
1 483 . 6 1 1 A 43 43 GLU CA C 43 57.021 58.754 -1.733 1
1 484 . 6 1 1 A 43 43 GLU CB C 43 27.493 28.818 -1.325 1
1 485 . 6 1 1 A 43 43 GLU N N 43 116.402 118.378 -1.976 1
1 486 . 6 1 1 A 44 44 THR H H 44 8.093 7.333 0.760 1
1 487 . 6 1 1 A 44 44 THR HA H 44 3.915 4.220 -0.305 1
1 492 . 6 1 1 A 44 44 THR CA C 44 63.143 60.143 3.000 1
1 493 . 6 1 1 A 44 44 THR CB C 44 69.620 71.161 -1.541 1
1 495 . 6 1 1 A 44 44 THR N N 44 111.376 110.818 0.558 1
1 496 . 6 1 1 A 45 45 ALA H H 45 7.815 8.218 -0.403 1
1 497 . 6 1 1 A 45 45 ALA HA H 45 3.430 3.971 -0.541 1
1 501 . 6 1 1 A 45 45 ALA C C 45 175.091 176.871 -1.780 1
1 502 . 6 1 1 A 45 45 ALA CA C 45 53.434 50.407 3.027 1
1 503 . 6 1 1 A 45 45 ALA CB C 45 15.567 19.171 -3.604 1
1 504 . 6 1 1 A 46 46 GLN H H 46 7.869 8.817 -0.948 1
1 505 . 6 1 1 A 46 46 GLN HA H 46 4.238 4.668 -0.430 1
1 512 . 6 1 1 A 46 46 GLN C C 46 176.190 175.893 0.297 1
1 513 . 6 1 1 A 46 46 GLN CA C 46 56.929 56.519 0.410 1
1 514 . 6 1 1 A 46 46 GLN CB C 46 30.454 31.820 -1.366 1
1 516 . 6 1 1 A 46 46 GLN N N 46 115.953 122.662 -6.709 1
1 518 . 6 1 1 A 47 47 ASP H H 47 8.326 8.264 0.062 1
1 519 . 6 1 1 A 47 47 ASP HA H 47 4.954 4.886 0.068 1
1 522 . 6 1 1 A 47 47 ASP C C 47 173.846 175.842 -1.996 1
1 523 . 6 1 1 A 47 47 ASP CA C 47 52.993 52.920 0.073 1
1 524 . 6 1 1 A 47 47 ASP CB C 47 41.558 41.333 0.225 1
1 525 . 6 1 1 A 47 47 ASP N N 47 119.830 120.238 -0.408 1
1 526 . 6 1 1 A 48 48 GLU H H 48 8.756 8.790 -0.034 1
1 527 . 6 1 1 A 48 48 GLU HA H 48 3.785 3.739 0.046 1
1 532 . 6 1 1 A 48 48 GLU C C 48 175.892 175.940 -0.048 1
1 533 . 6 1 1 A 48 48 GLU CA C 48 56.470 57.188 -0.718 1
1 534 . 6 1 1 A 48 48 GLU CB C 48 32.264 30.697 1.567 1
1 536 . 6 1 1 A 48 48 GLU N N 48 125.923 124.835 1.088 1
1 537 . 6 1 1 A 49 49 GLU H H 49 8.945 7.939 1.006 1
1 538 . 6 1 1 A 49 49 GLU HA H 49 4.164 4.228 -0.064 1
1 543 . 6 1 1 A 49 49 GLU C C 49 176.040 174.923 1.117 1
1 544 . 6 1 1 A 49 49 GLU CA C 49 58.447 57.502 0.945 1
1 545 . 6 1 1 A 49 49 GLU CB C 49 30.207 31.052 -0.845 1
1 547 . 6 1 1 A 49 49 GLU N N 49 129.751 126.731 3.020 1
1 548 . 6 1 1 A 50 50 ASP H H 50 6.736 6.954 -0.218 1
1 549 . 6 1 1 A 50 50 ASP HA H 50 4.355 4.762 -0.407 1
1 552 . 6 1 1 A 50 50 ASP C C 50 172.562 173.534 -0.972 1
1 553 . 6 1 1 A 50 50 ASP CA C 50 52.729 53.115 -0.386 1
1 554 . 6 1 1 A 50 50 ASP CB C 50 43.737 43.990 -0.253 1
1 555 . 6 1 1 A 50 50 ASP N N 50 113.574 117.363 -3.789 1
1 556 . 6 1 1 A 51 51 ARG H H 51 8.532 8.622 -0.090 1
1 557 . 6 1 1 A 51 51 ARG HA H 51 5.005 4.919 0.086 1
1 565 . 6 1 1 A 51 51 ARG C C 51 174.656 174.473 0.183 1
1 566 . 6 1 1 A 51 51 ARG CA C 51 55.605 55.517 0.088 1
1 567 . 6 1 1 A 51 51 ARG CB C 51 33.520 34.036 -0.516 1
1 570 . 6 1 1 A 51 51 ARG N N 51 117.888 123.016 -5.128 1
1 572 . 6 1 1 A 52 52 VAL H H 52 9.155 9.214 -0.059 1
1 573 . 6 1 1 A 52 52 VAL HA H 52 4.616 4.943 -0.327 1
1 581 . 6 1 1 A 52 52 VAL C C 52 174.710 175.404 -0.694 1
1 582 . 6 1 1 A 52 52 VAL CA C 52 59.382 60.463 -1.081 1
1 583 . 6 1 1 A 52 52 VAL CB C 52 35.266 34.421 0.845 1
1 586 . 6 1 1 A 52 52 VAL N N 52 121.629 121.953 -0.324 1
1 587 . 6 1 1 A 53 53 VAL H H 53 8.956 8.999 -0.043 1
1 588 . 6 1 1 A 53 53 VAL HA H 53 3.745 4.126 -0.381 1
1 596 . 6 1 1 A 53 53 VAL C C 53 174.610 175.794 -1.184 1
1 597 . 6 1 1 A 53 53 VAL CA C 53 64.676 63.896 0.780 1
1 598 . 6 1 1 A 53 53 VAL CB C 53 32.305 32.091 0.214 1
1 601 . 6 1 1 A 53 53 VAL N N 53 125.547 125.933 -0.386 1
1 602 . 6 1 1 A 54 54 ILE H H 54 8.705 9.012 -0.307 1
1 603 . 6 1 1 A 54 54 ILE HA H 54 4.324 4.272 0.052 1
1 613 . 6 1 1 A 54 54 ILE C C 54 176.747 176.279 0.468 1
1 614 . 6 1 1 A 54 54 ILE CA C 54 58.623 63.056 -4.433 1
1 615 . 6 1 1 A 54 54 ILE CB C 54 36.787 39.231 -2.444 1
1 619 . 6 1 1 A 54 54 ILE N N 54 126.147 126.492 -0.345 1
1 620 . 6 1 1 A 55 55 HIS H H 55 7.913 7.591 0.322 1
1 621 . 6 1 1 A 55 55 HIS HA H 55 4.626 4.283 0.343 1
1 626 . 6 1 1 A 55 55 HIS C C 55 174.365 175.776 -1.411 1
1 627 . 6 1 1 A 55 55 HIS CA C 55 57.917 57.254 0.663 1
1 628 . 6 1 1 A 55 55 HIS CB C 55 29.796 29.734 0.062 1
1 631 . 6 1 1 A 55 55 HIS N N 55 119.790 123.315 -3.525 1
1 632 . 6 1 1 A 56 56 PHE H H 56 9.382 8.191 1.191 1
1 633 . 6 1 1 A 56 56 PHE HA H 56 4.225 4.242 -0.017 1
1 641 . 6 1 1 A 56 56 PHE C C 56 175.781 174.787 0.994 1
1 642 . 6 1 1 A 56 56 PHE CA C 56 57.593 58.359 -0.766 1
1 643 . 6 1 1 A 56 56 PHE CB C 56 36.664 35.957 0.707 1
1 649 . 6 1 1 A 56 56 PHE N N 56 124.614 122.446 2.168 1
1 650 . 6 1 1 A 57 57 ASN H H 57 8.755 8.134 0.621 1
1 651 . 6 1 1 A 57 57 ASN HA H 57 5.319 5.033 0.286 1
1 656 . 6 1 1 A 57 57 ASN C C 57 175.317 174.648 0.669 1
1 657 . 6 1 1 A 57 57 ASN CA C 57 52.129 52.339 -0.210 1
1 658 . 6 1 1 A 57 57 ASN CB C 57 41.640 39.221 2.419 1
1 659 . 6 1 1 A 57 57 ASN N N 57 114.893 117.161 -2.268 1
1 661 . 6 1 1 A 58 58 VAL H H 58 8.606 7.297 1.309 1
1 662 . 6 1 1 A 58 58 VAL HA H 58 4.138 4.369 -0.231 1
1 670 . 6 1 1 A 58 58 VAL C C 58 175.486 176.024 -0.538 1
1 671 . 6 1 1 A 58 58 VAL CA C 58 63.035 61.573 1.462 1
1 672 . 6 1 1 A 58 58 VAL CB C 58 32.733 32.132 0.601 1
1 675 . 6 1 1 A 58 58 VAL N N 58 121.476 120.498 0.978 1
1 676 . 6 1 1 A 59 59 ARG H H 59 9.233 9.109 0.124 1
1 677 . 6 1 1 A 59 59 ARG HA H 59 4.184 4.099 0.085 1
1 684 . 6 1 1 A 59 59 ARG C C 59 175.572 175.263 0.309 1
1 685 . 6 1 1 A 59 59 ARG CA C 59 58.093 58.425 -0.332 1
1 686 . 6 1 1 A 59 59 ARG CB C 59 31.236 31.193 0.043 1
1 689 . 6 1 1 A 59 59 ARG N N 59 128.965 129.375 -0.410 1
1 690 . 6 1 1 A 60 60 ASP H H 60 7.745 7.836 -0.091 1
1 691 . 6 1 1 A 60 60 ASP HA H 60 4.485 5.128 -0.643 1
1 694 . 6 1 1 A 60 60 ASP C C 60 173.047 173.962 -0.915 1
1 695 . 6 1 1 A 60 60 ASP CA C 60 53.911 53.172 0.739 1
1 696 . 6 1 1 A 60 60 ASP CB C 60 42.874 44.809 -1.935 1
1 697 . 6 1 1 A 60 60 ASP N N 60 113.170 116.505 -3.335 1
1 698 . 6 1 1 A 61 61 ILE H H 61 8.398 8.726 -0.328 1
1 699 . 6 1 1 A 61 61 ILE HA H 61 5.055 4.862 0.193 1
1 709 . 6 1 1 A 61 61 ILE C C 61 174.897 174.994 -0.097 1
1 710 . 6 1 1 A 61 61 ILE CA C 61 60.511 60.231 0.280 1
1 711 . 6 1 1 A 61 61 ILE CB C 61 41.558 39.891 1.667 1
1 715 . 6 1 1 A 61 61 ILE N N 61 118.375 121.366 -2.991 1
1 716 . 6 1 1 A 62 62 LYS H H 62 8.619 9.143 -0.524 1
1 717 . 6 1 1 A 62 62 LYS HA H 62 4.711 5.524 -0.813 1
1 726 . 6 1 1 A 62 62 LYS C C 62 174.636 175.887 -1.251 1
1 727 . 6 1 1 A 62 62 LYS CA C 62 53.947 54.922 -0.975 1
1 728 . 6 1 1 A 62 62 LYS CB C 62 35.677 34.888 0.789 1
1 732 . 6 1 1 A 62 62 LYS N N 62 128.701 127.245 1.456 1
1 733 . 6 1 1 A 63 63 VAL H H 63 8.946 8.398 0.548 1
1 734 . 6 1 1 A 63 63 VAL HA H 63 5.073 4.599 0.474 1
1 742 . 6 1 1 A 63 63 VAL C C 63 177.772 176.139 1.633 1
1 743 . 6 1 1 A 63 63 VAL CA C 63 59.734 60.905 -1.171 1
1 744 . 6 1 1 A 63 63 VAL CB C 63 36.210 34.665 1.545 1
1 747 . 6 1 1 A 63 63 VAL N N 63 120.053 122.250 -2.197 1
1 748 . 6 1 1 A 64 64 GLY H H 64 9.804 8.624 1.180 1
1 749 . 6 1 1 A 64 64 GLY HA2 H 64 4.415 3.886 0.529 1
1 750 . 6 1 1 A 64 64 GLY HA3 H 64 3.906 3.886 0.020 1
1 751 . 6 1 1 A 64 64 GLY C C 64 176.864 175.532 1.332 1
1 752 . 6 1 1 A 64 64 GLY CA C 64 47.063 47.232 -0.169 1
1 753 . 6 1 1 A 64 64 GLY N N 64 118.354 114.929 3.425 1
1 754 . 6 1 1 A 65 65 GLN H H 65 9.045 8.821 0.224 1
1 755 . 6 1 1 A 65 65 GLN HA H 65 3.944 4.017 -0.073 1
1 762 . 6 1 1 A 65 65 GLN C C 65 176.698 178.633 -1.935 1
1 763 . 6 1 1 A 65 65 GLN CA C 65 57.793 58.967 -1.174 1
1 764 . 6 1 1 A 65 65 GLN CB C 65 27.822 28.598 -0.776 1
1 766 . 6 1 1 A 65 65 GLN N N 65 124.600 126.060 -1.460 1
1 768 . 6 1 1 A 66 66 GLU H H 66 7.886 8.161 -0.275 1
1 769 . 6 1 1 A 66 66 GLU HA H 66 4.145 4.050 0.095 1
1 774 . 6 1 1 A 66 66 GLU C C 66 178.049 177.663 0.386 1
1 775 . 6 1 1 A 66 66 GLU CA C 66 57.564 59.565 -2.001 1
1 776 . 6 1 1 A 66 66 GLU CB C 66 31.236 29.341 1.895 1
1 778 . 6 1 1 A 66 66 GLU N N 66 116.486 119.510 -3.024 1
1 779 . 6 1 1 A 67 67 CYS H H 67 8.015 7.342 0.673 1
1 780 . 6 1 1 A 67 67 CYS HA H 67 4.331 4.380 -0.049 1
1 783 . 6 1 1 A 67 67 CYS C C 67 175.278 174.587 0.691 1
1 784 . 6 1 1 A 67 67 CYS CA C 67 58.817 59.658 -0.841 1
1 785 . 6 1 1 A 67 67 CYS CB C 67 26.342 28.524 -2.182 1
1 786 . 6 1 1 A 67 67 CYS N N 67 119.526 118.818 0.708 1
1 787 . 6 1 1 A 68 68 GLN H H 68 7.983 8.461 -0.478 1
1 788 . 6 1 1 A 68 68 GLN HA H 68 4.199 4.332 -0.133 1
1 795 . 6 1 1 A 68 68 GLN C C 68 175.866 175.404 0.462 1
1 796 . 6 1 1 A 68 68 GLN CA C 68 56.399 54.796 1.603 1
1 797 . 6 1 1 A 68 68 GLN CB C 68 29.837 27.284 2.553 1
1 799 . 6 1 1 A 68 68 GLN N N 68 120.826 123.361 -2.535 1
1 801 . 6 1 1 A 69 69 ASP H H 69 8.755 8.927 -0.172 1
1 802 . 6 1 1 A 69 69 ASP HA H 69 4.395 4.124 0.271 1
1 805 . 6 1 1 A 69 69 ASP C C 69 174.652 175.413 -0.761 1
1 806 . 6 1 1 A 69 69 ASP CA C 69 54.546 55.202 -0.656 1
1 807 . 6 1 1 A 69 69 ASP CB C 69 39.954 39.440 0.514 1
1 808 . 6 1 1 A 69 69 ASP N N 69 117.691 121.705 -4.014 1
1 809 . 6 1 1 A 70 70 VAL H H 70 7.245 7.983 -0.738 1
1 810 . 6 1 1 A 70 70 VAL HA H 70 4.173 4.046 0.127 1
1 818 . 6 1 1 A 70 70 VAL C C 70 173.502 175.534 -2.032 1
1 819 . 6 1 1 A 70 70 VAL CA C 70 60.502 63.239 -2.737 1
1 820 . 6 1 1 A 70 70 VAL CB C 70 34.397 32.260 2.137 1
1 823 . 6 1 1 A 70 70 VAL N N 70 116.632 119.515 -2.883 1
1 824 . 6 1 1 A 71 71 GLN H H 71 8.513 8.715 -0.202 1
1 825 . 6 1 1 A 71 71 GLN HA H 71 4.758 4.741 0.017 1
1 832 . 6 1 1 A 71 71 GLN C C 71 173.404 174.683 -1.279 1
1 833 . 6 1 1 A 71 71 GLN CA C 71 52.093 53.141 -1.048 1
1 834 . 6 1 1 A 71 71 GLN CB C 71 29.467 30.250 -0.783 1
1 836 . 6 1 1 A 71 71 GLN N N 71 125.361 127.390 -2.029 1
1 838 . 6 1 1 A 72 72 PRO HA H 72 3.955 4.433 -0.478 1
1 845 . 6 1 1 A 72 72 PRO CA C 72 61.219 61.508 -0.289 1
1 846 . 6 1 1 A 72 72 PRO CB C 72 30.548 31.531 -0.983 1
1 849 . 6 1 1 A 73 73 PRO HA H 73 3.584 4.252 -0.668 1
1 856 . 6 1 1 A 73 73 PRO C C 73 175.005 175.703 -0.698 1
1 857 . 6 1 1 A 73 73 PRO CA C 73 61.764 61.822 -0.058 1
1 858 . 6 1 1 A 73 73 PRO CB C 73 30.080 32.270 -2.190 1
1 861 . 6 1 1 A 74 74 GLU H H 74 8.066 8.277 -0.211 1
1 862 . 6 1 1 A 74 74 GLU HA H 74 3.766 3.877 -0.111 1
1 867 . 6 1 1 A 74 74 GLU C C 74 177.415 177.139 0.276 1
1 868 . 6 1 1 A 74 74 GLU CA C 74 58.005 58.084 -0.079 1
1 869 . 6 1 1 A 74 74 GLU CB C 74 29.340 29.363 -0.023 1
1 871 . 6 1 1 A 74 74 GLU N N 74 120.425 121.870 -1.445 1
1 872 . 6 1 1 A 75 75 GLY H H 75 8.576 8.919 -0.343 1
1 873 . 6 1 1 A 75 75 GLY HA2 H 75 4.024 3.903 0.121 1
1 874 . 6 1 1 A 75 75 GLY HA3 H 75 3.568 3.922 -0.354 1
1 875 . 6 1 1 A 75 75 GLY C C 75 174.093 174.453 -0.360 1
1 876 . 6 1 1 A 75 75 GLY CA C 75 45.299 45.093 0.206 1
1 877 . 6 1 1 A 75 75 GLY N N 75 112.779 114.899 -2.120 1
1 878 . 6 1 1 A 76 76 ARG H H 76 7.791 7.504 0.287 1
1 879 . 6 1 1 A 76 76 ARG HA H 76 4.444 4.280 0.164 1
1 887 . 6 1 1 A 76 76 ARG C C 76 175.188 174.991 0.197 1
1 888 . 6 1 1 A 76 76 ARG CA C 76 54.617 56.258 -1.641 1
1 889 . 6 1 1 A 76 76 ARG CB C 76 31.030 31.706 -0.676 1
1 892 . 6 1 1 A 76 76 ARG N N 76 121.088 121.311 -0.223 1
1 894 . 6 1 1 A 77 77 SER H H 77 8.235 8.303 -0.068 1
1 895 . 6 1 1 A 77 77 SER HA H 77 4.405 4.815 -0.410 1
1 898 . 6 1 1 A 77 77 SER C C 77 176.069 173.743 2.326 1
1 899 . 6 1 1 A 77 77 SER CA C 77 56.805 55.882 0.923 1
1 900 . 6 1 1 A 77 77 SER CB C 77 64.136 65.803 -1.667 1
1 901 . 6 1 1 A 77 77 SER N N 77 113.991 114.866 -0.875 1
1 902 . 6 1 1 A 78 78 ARG H H 78 8.745 8.584 0.161 1
1 903 . 6 1 1 A 78 78 ARG HA H 78 3.774 4.256 -0.482 1
1 909 . 6 1 1 A 78 78 ARG C C 78 176.758 176.593 0.165 1
1 910 . 6 1 1 A 78 78 ARG CA C 78 58.341 58.066 0.275 1
1 911 . 6 1 1 A 78 78 ARG CB C 78 30.043 30.021 0.022 1
1 914 . 6 1 1 A 78 78 ARG N N 78 122.262 124.211 -1.949 1
1 915 . 6 1 1 A 79 79 ASP H H 79 8.106 7.920 0.186 1
1 916 . 6 1 1 A 79 79 ASP HA H 79 4.175 4.782 -0.607 1
1 919 . 6 1 1 A 79 79 ASP C C 79 175.579 177.121 -1.542 1
1 920 . 6 1 1 A 79 79 ASP CA C 79 57.159 54.086 3.073 1
1 921 . 6 1 1 A 79 79 ASP CB C 79 40.900 41.380 -0.480 1
1 922 . 6 1 1 A 79 79 ASP N N 79 115.963 118.219 -2.256 1
1 923 . 6 1 1 A 80 80 GLY H H 80 7.305 7.479 -0.174 1
1 924 . 6 1 1 A 80 80 GLY HA2 H 80 4.047 4.000 0.047 1
1 925 . 6 1 1 A 80 80 GLY HA3 H 80 3.387 4.020 -0.633 1
1 926 . 6 1 1 A 80 80 GLY C C 80 174.263 174.479 -0.216 1
1 927 . 6 1 1 A 80 80 GLY CA C 80 44.276 45.351 -1.075 1
1 928 . 6 1 1 A 80 80 GLY N N 80 101.592 107.518 -5.926 1
1 929 . 6 1 1 A 81 81 LEU H H 81 7.307 7.272 0.035 1
1 930 . 6 1 1 A 81 81 LEU HA H 81 4.494 4.239 0.255 1
1 940 . 6 1 1 A 81 81 LEU C C 81 176.212 176.536 -0.324 1
1 941 . 6 1 1 A 81 81 LEU CA C 81 56.346 55.806 0.540 1
1 942 . 6 1 1 A 81 81 LEU CB C 81 44.025 42.625 1.400 1
1 946 . 6 1 1 A 81 81 LEU N N 81 121.062 121.805 -0.743 1
1 947 . 6 1 1 A 82 82 LEU H H 82 8.286 8.646 -0.360 1
1 948 . 6 1 1 A 82 82 LEU HA H 82 5.260 4.760 0.500 1
1 958 . 6 1 1 A 82 82 LEU C C 82 175.122 174.392 0.730 1
1 959 . 6 1 1 A 82 82 LEU CA C 82 55.334 54.666 0.668 1
1 960 . 6 1 1 A 82 82 LEU CB C 82 46.064 45.349 0.715 1
1 964 . 6 1 1 A 82 82 LEU N N 82 118.524 121.718 -3.194 1
1 965 . 6 1 1 A 83 83 THR H H 83 9.095 8.768 0.327 1
1 966 . 6 1 1 A 83 83 THR HA H 83 5.305 5.301 0.004 1
1 971 . 6 1 1 A 83 83 THR C C 83 173.754 173.681 0.073 1
1 972 . 6 1 1 A 83 83 THR CA C 83 61.076 61.493 -0.417 1
1 973 . 6 1 1 A 83 83 THR CB C 83 71.268 70.780 0.488 1
1 975 . 6 1 1 A 83 83 THR N N 83 120.894 123.059 -2.165 1
1 976 . 6 1 1 A 84 84 VAL H H 84 9.175 8.924 0.251 1
1 977 . 6 1 1 A 84 84 VAL HA H 84 4.205 4.931 -0.726 1
1 985 . 6 1 1 A 84 84 VAL C C 84 173.741 174.788 -1.047 1
1 986 . 6 1 1 A 84 84 VAL CA C 84 61.182 60.170 1.012 1
1 987 . 6 1 1 A 84 84 VAL CB C 84 32.921 34.836 -1.915 1
1 990 . 6 1 1 A 84 84 VAL N N 84 127.342 126.037 1.305 1
1 991 . 6 1 1 A 85 85 ASN H H 85 8.597 8.759 -0.162 1
1 992 . 6 1 1 A 85 85 ASN HA H 85 4.960 5.462 -0.502 1
1 997 . 6 1 1 A 85 85 ASN C C 85 174.440 174.123 0.317 1
1 998 . 6 1 1 A 85 85 ASN CA C 85 52.870 51.628 1.242 1
1 999 . 6 1 1 A 85 85 ASN CB C 85 39.214 41.769 -2.555 1
1 1000 . 6 1 1 A 85 85 ASN N N 85 125.999 123.939 2.060 1
1 1002 . 6 1 1 A 86 86 LEU H H 86 8.283 9.225 -0.942 1
1 1003 . 6 1 1 A 86 86 LEU HA H 86 5.176 5.188 -0.012 1
1 1013 . 6 1 1 A 86 86 LEU C C 86 178.644 177.665 0.979 1
1 1014 . 6 1 1 A 86 86 LEU CA C 86 53.700 53.393 0.307 1
1 1015 . 6 1 1 A 86 86 LEU CB C 86 42.298 43.703 -1.405 1
1 1019 . 6 1 1 A 86 86 LEU N N 86 125.763 124.982 0.781 1
1 1020 . 6 1 1 A 87 87 ARG H H 87 8.655 8.764 -0.109 1
1 1021 . 6 1 1 A 87 87 ARG HA H 87 3.905 4.014 -0.109 1
1 1028 . 6 1 1 A 87 87 ARG C C 87 177.223 177.803 -0.580 1
1 1029 . 6 1 1 A 87 87 ARG CA C 87 59.717 59.381 0.336 1
1 1030 . 6 1 1 A 87 87 ARG CB C 87 29.280 29.834 -0.554 1
1 1033 . 6 1 1 A 87 87 ARG N N 87 123.105 122.654 0.451 1
1 1034 . 6 1 1 A 88 88 GLU H H 88 8.525 7.937 0.588 1
1 1035 . 6 1 1 A 88 88 GLU HA H 88 4.515 4.236 0.279 1
1 1040 . 6 1 1 A 88 88 GLU C C 88 175.762 176.847 -1.085 1
1 1041 . 6 1 1 A 88 88 GLU CA C 88 55.852 55.932 -0.080 1
1 1042 . 6 1 1 A 88 88 GLU CB C 88 30.249 29.618 0.631 1
1 1044 . 6 1 1 A 88 88 GLU N N 88 117.722 115.654 2.068 1
1 1045 . 6 1 1 A 89 89 GLY H H 89 8.063 8.755 -0.692 1
1 1046 . 6 1 1 A 89 89 GLY HA2 H 89 3.735 3.960 -0.225 1
1 1047 . 6 1 1 A 89 89 GLY HA3 H 89 4.536 3.961 0.575 1
1 1048 . 6 1 1 A 89 89 GLY C C 89 173.864 173.716 0.148 1
1 1049 . 6 1 1 A 89 89 GLY CA C 89 44.222 46.296 -2.074 1
1 1050 . 6 1 1 A 89 89 GLY N N 89 110.616 111.819 -1.203 1
1 1051 . 6 1 1 A 90 90 SER H H 90 8.094 7.228 0.866 1
1 1052 . 6 1 1 A 90 90 SER HA H 90 4.484 5.025 -0.541 1
1 1055 . 6 1 1 A 90 90 SER C C 90 172.813 172.582 0.231 1
1 1056 . 6 1 1 A 90 90 SER CA C 90 58.552 57.370 1.182 1
1 1057 . 6 1 1 A 90 90 SER CB C 90 63.915 67.068 -3.153 1
1 1058 . 6 1 1 A 90 90 SER N N 90 116.620 114.464 2.156 1
1 1059 . 6 1 1 A 91 91 ARG H H 91 8.285 8.773 -0.488 1
1 1060 . 6 1 1 A 91 91 ARG HA H 91 4.725 5.310 -0.585 1
1 1067 . 6 1 1 A 91 91 ARG C C 91 175.511 175.360 0.151 1
1 1068 . 6 1 1 A 91 91 ARG CA C 91 55.870 54.295 1.575 1
1 1069 . 6 1 1 A 91 91 ARG CB C 91 32.058 33.642 -1.584 1
1 1072 . 6 1 1 A 91 91 ARG N N 91 121.045 123.673 -2.628 1
1 1073 . 6 1 1 A 92 92 LEU H H 92 8.485 9.320 -0.835 1
1 1074 . 6 1 1 A 92 92 LEU HA H 92 4.555 4.864 -0.309 1
1 1084 . 6 1 1 A 92 92 LEU C C 92 174.815 175.849 -1.034 1
1 1085 . 6 1 1 A 92 92 LEU CA C 92 53.629 53.825 -0.196 1
1 1086 . 6 1 1 A 92 92 LEU CB C 92 44.066 43.886 0.180 1
1 1090 . 6 1 1 A 92 92 LEU N N 92 123.633 121.253 2.380 1
1 1091 . 6 1 1 A 93 93 HIS H H 93 8.871 9.044 -0.173 1
1 1092 . 6 1 1 A 93 93 HIS HA H 93 5.135 4.893 0.242 1
1 1097 . 6 1 1 A 93 93 HIS C C 93 173.251 174.604 -1.353 1
1 1098 . 6 1 1 A 93 93 HIS CA C 93 56.135 55.861 0.274 1
1 1099 . 6 1 1 A 93 93 HIS CB C 93 30.701 28.781 1.920 1
1 1101 . 6 1 1 A 93 93 HIS N N 93 124.492 123.932 0.560 1
1 1102 . 6 1 1 A 94 94 LEU H H 94 9.105 9.248 -0.143 1
1 1103 . 6 1 1 A 94 94 LEU HA H 94 5.940 5.443 0.497 1
1 1113 . 6 1 1 A 94 94 LEU C C 94 177.396 175.980 1.416 1
1 1114 . 6 1 1 A 94 94 LEU CA C 94 52.552 53.278 -0.726 1
1 1115 . 6 1 1 A 94 94 LEU CB C 94 45.465 45.750 -0.285 1
1 1119 . 6 1 1 A 94 94 LEU N N 94 122.911 124.979 -2.068 1
1 1120 . 6 1 1 A 95 95 CYS H H 95 8.953 8.650 0.303 1
1 1121 . 6 1 1 A 95 95 CYS HA H 95 4.863 4.982 -0.119 1
1 1124 . 6 1 1 A 95 95 CYS C C 95 172.585 173.860 -1.275 1
1 1125 . 6 1 1 A 95 95 CYS CA C 95 59.964 57.716 2.248 1
1 1126 . 6 1 1 A 95 95 CYS CB C 95 29.220 30.622 -1.402 1
1 1127 . 6 1 1 A 95 95 CYS N N 95 118.920 119.990 -1.070 1
1 1128 . 6 1 1 A 96 96 ALA H H 96 9.465 8.999 0.466 1
1 1129 . 6 1 1 A 96 96 ALA HA H 96 5.035 4.750 0.285 1
1 1133 . 6 1 1 A 96 96 ALA C C 96 177.396 179.326 -1.930 1
1 1134 . 6 1 1 A 96 96 ALA CA C 96 50.205 51.538 -1.333 1
1 1135 . 6 1 1 A 96 96 ALA CB C 96 21.571 20.791 0.780 1
1 1136 . 6 1 1 A 96 96 ALA N N 96 132.924 128.851 4.073 1
1 1137 . 6 1 1 A 97 97 GLU H H 97 9.636 8.909 0.727 1
1 1138 . 6 1 1 A 97 97 GLU HA H 97 4.344 4.356 -0.012 1
1 1143 . 6 1 1 A 97 97 GLU C C 97 176.882 176.289 0.593 1
1 1144 . 6 1 1 A 97 97 GLU CA C 97 58.040 57.158 0.882 1
1 1145 . 6 1 1 A 97 97 GLU CB C 97 30.207 30.653 -0.446 1
1 1147 . 6 1 1 A 97 97 GLU N N 97 116.636 117.553 -0.917 1
1 1148 . 6 1 1 A 98 98 THR H H 98 7.155 7.546 -0.391 1
1 1149 . 6 1 1 A 98 98 THR HA H 98 4.684 4.672 0.012 1
1 1154 . 6 1 1 A 98 98 THR C C 98 174.259 174.652 -0.393 1
1 1155 . 6 1 1 A 98 98 THR CA C 98 58.323 59.628 -1.305 1
1 1156 . 6 1 1 A 98 98 THR CB C 98 73.529 72.867 0.662 1
1 1158 . 6 1 1 A 98 98 THR N N 98 102.167 109.706 -7.539 1
1 1159 . 6 1 1 A 99 99 ARG H H 99 9.025 8.941 0.084 1
1 1160 . 6 1 1 A 99 99 ARG HA H 99 4.056 4.162 -0.106 1
1 1167 . 6 1 1 A 99 99 ARG C C 99 177.995 178.045 -0.050 1
1 1168 . 6 1 1 A 99 99 ARG CA C 99 59.029 59.127 -0.098 1
1 1169 . 6 1 1 A 99 99 ARG CB C 99 30.208 30.087 0.121 1
1 1172 . 6 1 1 A 99 99 ARG N N 99 122.747 121.178 1.569 1
1 1173 . 6 1 1 A 100 100 ASP H H 100 8.387 8.448 -0.061 1
1 1174 . 6 1 1 A 100 100 ASP HA H 100 4.306 4.279 0.027 1
1 1177 . 6 1 1 A 100 100 ASP C C 100 179.110 178.326 0.784 1
1 1178 . 6 1 1 A 100 100 ASP CA C 100 57.475 57.729 -0.254 1
1 1179 . 6 1 1 A 100 100 ASP CB C 100 40.201 42.029 -1.828 1
1 1180 . 6 1 1 A 100 100 ASP N N 100 116.422 119.683 -3.261 1
1 1181 . 6 1 1 A 101 101 ASP H H 101 8.046 7.805 0.241 1
1 1182 . 6 1 1 A 101 101 ASP HA H 101 4.576 4.358 0.218 1
1 1185 . 6 1 1 A 101 101 ASP C C 101 177.751 178.549 -0.798 1
1 1186 . 6 1 1 A 101 101 ASP CA C 101 57.229 57.318 -0.089 1
1 1187 . 6 1 1 A 101 101 ASP CB C 101 42.093 40.696 1.397 1
1 1188 . 6 1 1 A 101 101 ASP N N 101 120.742 119.431 1.311 1
1 1189 . 6 1 1 A 102 102 ALA H H 102 7.674 7.767 -0.093 1
1 1190 . 6 1 1 A 102 102 ALA HA H 102 4.084 4.205 -0.121 1
1 1194 . 6 1 1 A 102 102 ALA C C 102 179.609 179.998 -0.389 1
1 1195 . 6 1 1 A 102 102 ALA CA C 102 56.364 55.236 1.128 1
1 1196 . 6 1 1 A 102 102 ALA CB C 102 17.952 18.572 -0.620 1
1 1197 . 6 1 1 A 102 102 ALA N N 102 122.523 121.786 0.737 1
1 1198 . 6 1 1 A 103 103 ILE H H 103 8.499 8.204 0.295 1
1 1199 . 6 1 1 A 103 103 ILE HA H 103 3.681 3.670 0.011 1
1 1209 . 6 1 1 A 103 103 ILE C C 103 178.622 178.315 0.307 1
1 1210 . 6 1 1 A 103 103 ILE CA C 103 64.182 65.442 -1.260 1
1 1211 . 6 1 1 A 103 103 ILE CB C 103 37.240 37.523 -0.283 1
1 1215 . 6 1 1 A 103 103 ILE N N 103 117.417 118.020 -0.603 1
1 1216 . 6 1 1 A 104 104 ALA H H 104 8.174 8.119 0.055 1
1 1217 . 6 1 1 A 104 104 ALA HA H 104 4.095 3.985 0.110 1
1 1221 . 6 1 1 A 104 104 ALA C C 104 181.998 180.107 1.891 1
1 1222 . 6 1 1 A 104 104 ALA CA C 104 55.517 55.225 0.292 1
1 1223 . 6 1 1 A 104 104 ALA CB C 104 17.294 18.439 -1.145 1
1 1224 . 6 1 1 A 104 104 ALA N N 104 124.916 121.729 3.187 1
1 1225 . 6 1 1 A 105 105 TRP H H 105 8.365 7.897 0.468 1
1 1226 . 6 1 1 A 105 105 TRP HA H 105 4.025 4.412 -0.387 1
1 1235 . 6 1 1 A 105 105 TRP C C 105 177.969 178.628 -0.659 1
1 1236 . 6 1 1 A 105 105 TRP CA C 105 62.011 60.091 1.920 1
1 1237 . 6 1 1 A 105 105 TRP CB C 105 29.179 28.902 0.277 1
1 1243 . 6 1 1 A 105 105 TRP N N 105 119.726 118.162 1.564 1
1 1245 . 6 1 1 A 106 106 LYS H H 106 8.746 7.992 0.754 1
1 1246 . 6 1 1 A 106 106 LYS HA H 106 3.805 4.072 -0.267 1
1 1255 . 6 1 1 A 106 106 LYS C C 106 177.626 179.136 -1.510 1
1 1256 . 6 1 1 A 106 106 LYS CA C 106 60.865 59.692 1.173 1
1 1257 . 6 1 1 A 106 106 LYS CB C 106 31.606 31.978 -0.372 1
1 1261 . 6 1 1 A 106 106 LYS N N 106 120.565 120.176 0.389 1
1 1262 . 6 1 1 A 107 107 THR H H 107 8.714 7.979 0.735 1
1 1263 . 6 1 1 A 107 107 THR HA H 107 3.774 3.850 -0.076 1
1 1268 . 6 1 1 A 107 107 THR C C 107 176.238 175.847 0.391 1
1 1269 . 6 1 1 A 107 107 THR CA C 107 66.688 66.999 -0.311 1
1 1270 . 6 1 1 A 107 107 THR CB C 107 69.065 68.621 0.444 1
1 1272 . 6 1 1 A 107 107 THR N N 107 115.018 117.027 -2.009 1
1 1273 . 6 1 1 A 108 108 ALA H H 108 7.769 8.330 -0.561 1
1 1274 . 6 1 1 A 108 108 ALA HA H 108 4.094 4.040 0.054 1
1 1278 . 6 1 1 A 108 108 ALA C C 108 180.611 179.713 0.898 1
1 1279 . 6 1 1 A 108 108 ALA CA C 108 55.005 55.009 -0.004 1
1 1280 . 6 1 1 A 108 108 ALA CB C 108 18.015 18.252 -0.237 1
1 1281 . 6 1 1 A 108 108 ALA N N 108 123.150 123.320 -0.170 1
1 1282 . 6 1 1 A 109 109 LEU H H 109 8.795 8.026 0.769 1
1 1283 . 6 1 1 A 109 109 LEU HA H 109 4.045 4.192 -0.147 1
1 1293 . 6 1 1 A 109 109 LEU C C 109 178.758 178.996 -0.238 1
1 1294 . 6 1 1 A 109 109 LEU CA C 109 58.093 57.475 0.618 1
1 1295 . 6 1 1 A 109 109 LEU CB C 109 42.298 42.035 0.263 1
1 1299 . 6 1 1 A 109 109 LEU N N 109 118.714 120.246 -1.532 1
1 1300 . 6 1 1 A 110 110 MET H H 110 8.582 8.602 -0.020 1
1 1301 . 6 1 1 A 110 110 MET HA H 110 4.404 4.027 0.377 1
1 1309 . 6 1 1 A 110 110 MET C C 110 180.290 178.747 1.543 1
1 1310 . 6 1 1 A 110 110 MET CA C 110 56.876 58.906 -2.030 1
1 1311 . 6 1 1 A 110 110 MET CB C 110 30.002 32.365 -2.363 1
1 1314 . 6 1 1 A 110 110 MET N N 110 117.122 116.326 0.796 1
1 1315 . 6 1 1 A 111 111 GLU H H 111 8.062 8.031 0.031 1
1 1316 . 6 1 1 A 111 111 GLU HA H 111 4.126 3.986 0.140 1
1 1321 . 6 1 1 A 111 111 GLU C C 111 179.237 178.697 0.540 1
1 1322 . 6 1 1 A 111 111 GLU CA C 111 59.435 58.864 0.571 1
1 1323 . 6 1 1 A 111 111 GLU CB C 111 29.015 29.493 -0.478 1
1 1325 . 6 1 1 A 111 111 GLU N N 111 121.532 118.893 2.639 1
1 1326 . 6 1 1 A 112 112 ALA H H 112 7.975 7.654 0.321 1
1 1327 . 6 1 1 A 112 112 ALA HA H 112 4.265 4.112 0.153 1
1 1331 . 6 1 1 A 112 112 ALA C C 112 179.608 179.207 0.401 1
1 1332 . 6 1 1 A 112 112 ALA CA C 112 54.158 54.997 -0.839 1
1 1333 . 6 1 1 A 112 112 ALA CB C 112 19.530 18.606 0.924 1
1 1334 . 6 1 1 A 112 112 ALA N N 112 121.838 122.500 -0.662 1
1 1335 . 6 1 1 A 113 113 ASN H H 113 8.115 8.537 -0.422 1
1 1336 . 6 1 1 A 113 113 ASN HA H 113 4.822 4.449 0.373 1
1 1341 . 6 1 1 A 113 113 ASN C C 113 176.296 175.678 0.618 1
1 1342 . 6 1 1 A 113 113 ASN CA C 113 56.311 56.001 0.310 1
1 1343 . 6 1 1 A 113 113 ASN CB C 113 40.283 38.715 1.568 1
1 1344 . 6 1 1 A 113 113 ASN N N 113 115.563 117.331 -1.768 1
1 1346 . 6 1 1 A 114 114 SER H H 114 7.365 7.602 -0.237 1
1 1347 . 6 1 1 A 114 114 SER HA H 114 4.545 3.707 0.838 1
1 1350 . 6 1 1 A 114 114 SER C C 114 174.126 172.188 1.938 1
1 1351 . 6 1 1 A 114 114 SER CA C 114 58.464 57.166 1.298 1
1 1352 . 6 1 1 A 114 114 SER CB C 114 64.400 63.278 1.122 1
1 1353 . 6 1 1 A 114 114 SER N N 114 108.652 111.176 -2.524 1
1 1354 . 6 1 1 A 115 115 THR H H 115 7.849 6.871 0.978 1
1 1355 . 6 1 1 A 115 115 THR HA H 115 4.599 4.921 -0.322 1
1 1360 . 6 1 1 A 115 115 THR C C 115 172.337 172.311 0.026 1
1 1361 . 6 1 1 A 115 115 THR CA C 115 60.817 59.192 1.625 1
1 1362 . 6 1 1 A 115 115 THR CB C 115 70.016 71.758 -1.742 1
1 1364 . 6 1 1 A 115 115 THR N N 115 118.885 115.102 3.783 1
1 1365 . 6 1 1 A 116 116 PRO HA H 116 4.404 4.916 -0.512 1
1 1372 . 6 1 1 A 116 116 PRO CA C 116 63.007 62.477 0.530 1
1 1373 . 6 1 1 A 116 116 PRO CB C 116 32.346 32.790 -0.444 1
1 1376 . 6 1 1 A 117 117 ALA H H 117 8.429 8.482 -0.053 1
1 1377 . 6 1 1 A 117 117 ALA HA H 117 4.535 4.665 -0.130 1
1 1381 . 6 1 1 A 117 117 ALA CA C 117 50.359 50.521 -0.162 1
1 1382 . 6 1 1 A 117 117 ALA CB C 117 18.069 18.491 -0.422 1
1 1383 . 6 1 1 A 117 117 ALA N N 117 125.693 123.856 1.837 1
1 1384 . 6 1 1 A 118 118 PRO HA H 118 4.377 4.522 -0.145 1
1 1391 . 6 1 1 A 118 118 PRO C C 118 176.656 175.576 1.080 1
1 1392 . 6 1 1 A 118 118 PRO CA C 118 63.105 64.067 -0.962 1
1 1393 . 6 1 1 A 118 118 PRO CB C 118 31.935 31.580 0.355 1
1 1396 . 6 1 1 A 119 119 ALA H H 119 8.430 7.739 0.691 1
1 1397 . 6 1 1 A 119 119 ALA HA H 119 4.255 4.665 -0.410 1
1 1401 . 6 1 1 A 119 119 ALA C C 119 178.416 176.914 1.502 1
1 1402 . 6 1 1 A 119 119 ALA CA C 119 52.744 50.940 1.804 1
1 1403 . 6 1 1 A 119 119 ALA CB C 119 19.186 22.607 -3.421 1
1 1404 . 6 1 1 A 119 119 ALA N N 119 124.565 120.468 4.097 1
1 1405 . 6 1 1 A 120 120 GLY H H 120 8.375 8.618 -0.243 1
1 1406 . 6 1 1 A 120 120 GLY HA2 H 120 3.934 4.212 -0.278 1
1 1407 . 6 1 1 A 120 120 GLY HA3 H 120 3.934 4.217 -0.283 1
1 1408 . 6 1 1 A 120 120 GLY C C 120 173.810 174.761 -0.951 1
1 1409 . 6 1 1 A 120 120 GLY CA C 120 45.176 45.799 -0.623 1
1 1410 . 6 1 1 A 120 120 GLY N N 120 108.353 108.826 -0.473 1
1 1411 . 6 1 1 A 121 121 ALA H H 121 8.116 8.425 -0.309 1
1 1412 . 6 1 1 A 121 121 ALA HA H 121 4.379 3.980 0.399 1
1 1416 . 6 1 1 A 121 121 ALA C C 121 177.908 178.379 -0.471 1
1 1417 . 6 1 1 A 121 121 ALA CA C 121 52.446 55.095 -2.649 1
1 1418 . 6 1 1 A 121 121 ALA CB C 121 19.433 18.578 0.855 1
1 1419 . 6 1 1 A 121 121 ALA N N 121 123.561 124.428 -0.867 1
1 1420 . 6 1 1 A 122 122 THR H H 122 8.212 7.882 0.330 1
1 1421 . 6 1 1 A 122 122 THR C C 122 174.317 174.487 -0.170 1
1 1422 . 6 1 1 A 122 122 THR CA C 122 61.888 62.977 -1.089 1
1 1423 . 6 1 1 A 122 122 THR CB C 122 69.648 69.653 -0.005 1
1 1425 . 6 1 1 A 122 122 THR N N 122 114.319 112.040 2.279 1
1 1426 . 6 1 1 A 123 123 VAL H H 123 8.222 8.166 0.056 1
1 1427 . 6 1 1 A 123 123 VAL HA H 123 4.455 4.059 0.396 1
1 1435 . 6 1 1 A 123 123 VAL C C 123 174.373 174.564 -0.191 1
1 1436 . 6 1 1 A 123 123 VAL CA C 123 59.717 60.761 -1.044 1
1 1437 . 6 1 1 A 123 123 VAL CB C 123 32.593 32.839 -0.246 1
1 1440 . 6 1 1 A 123 123 VAL N N 123 124.311 126.478 -2.167 1
1 1441 . 6 1 1 A 124 124 PRO HA H 124 4.403 4.418 -0.015 1
1 1446 . 6 1 1 A 124 124 PRO C C 124 176.873 176.750 0.123 1
1 1447 . 6 1 1 A 124 124 PRO CA C 124 63.211 62.708 0.503 1
1 1448 . 6 1 1 A 124 124 PRO CB C 124 32.017 31.947 0.070 1
1 1451 . 6 1 1 A 125 125 SER H H 125 8.426 8.389 0.037 1
1 1452 . 6 1 1 A 125 125 SER HA H 125 4.448 4.604 -0.156 1
1 1455 . 6 1 1 A 125 125 SER C C 125 174.598 174.696 -0.098 1
1 1456 . 6 1 1 A 125 125 SER CA C 125 58.341 57.473 0.868 1
1 1457 . 6 1 1 A 125 125 SER CB C 125 64.054 64.846 -0.792 1
1 1458 . 6 1 1 A 125 125 SER N N 125 116.463 114.890 1.573 1
1 1459 . 6 1 1 A 126 126 GLY H H 126 8.233 8.426 -0.193 1
1 1460 . 6 1 1 A 126 126 GLY C C 126 171.756 174.401 -2.645 1
1 1461 . 6 1 1 A 126 126 GLY CA C 126 44.611 44.724 -0.113 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.445 4.394 0.051 1
1 4 . 7 1 1 A 6 6 SER C C 6 174.707 174.707 0.000 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.482 59.844 -1.362 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.848 64.205 -0.357 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.494 8.739 -0.245 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 4.105 4.096 0.009 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 4.105 4.105 0.000 1
1 10 . 7 1 1 A 7 7 GLY C C 7 172.961 172.646 0.315 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.864 46.627 -0.763 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.325 112.405 -2.080 1
1 13 . 7 1 1 A 8 8 LEU H H 8 8.295 8.351 -0.056 1
1 14 . 7 1 1 A 8 8 LEU HA H 8 4.268 5.347 -1.079 1
1 24 . 7 1 1 A 8 8 LEU C C 8 176.773 175.563 1.210 1
1 25 . 7 1 1 A 8 8 LEU CA C 8 55.587 53.435 2.152 1
1 26 . 7 1 1 A 8 8 LEU CB C 8 43.367 44.981 -1.614 1
1 30 . 7 1 1 A 8 8 LEU N N 8 123.800 126.585 -2.785 1
1 31 . 7 1 1 A 9 9 VAL H H 9 9.290 8.984 0.306 1
1 32 . 7 1 1 A 9 9 VAL HA H 9 3.826 3.984 -0.158 1
1 40 . 7 1 1 A 9 9 VAL C C 9 176.540 175.655 0.885 1
1 41 . 7 1 1 A 9 9 VAL CA C 9 64.888 63.975 0.913 1
1 42 . 7 1 1 A 9 9 VAL CB C 9 32.264 32.236 0.028 1
1 45 . 7 1 1 A 9 9 VAL N N 9 129.415 126.436 2.979 1
1 46 . 7 1 1 A 10 10 ARG H H 10 7.135 7.666 -0.531 1
1 47 . 7 1 1 A 10 10 ARG HA H 10 4.126 4.743 -0.617 1
1 55 . 7 1 1 A 10 10 ARG C C 10 171.942 174.133 -2.191 1
1 56 . 7 1 1 A 10 10 ARG CA C 10 55.800 54.336 1.464 1
1 57 . 7 1 1 A 10 10 ARG CB C 10 32.223 33.178 -0.955 1
1 60 . 7 1 1 A 10 10 ARG N N 10 117.246 118.736 -1.490 1
1 62 . 7 1 1 A 11 11 GLY H H 11 8.390 8.465 -0.075 1
1 63 . 7 1 1 A 11 11 GLY HA2 H 11 3.204 3.903 -0.699 1
1 64 . 7 1 1 A 11 11 GLY HA3 H 11 5.336 4.007 1.329 1
1 65 . 7 1 1 A 11 11 GLY C C 11 172.895 172.659 0.236 1
1 66 . 7 1 1 A 11 11 GLY CA C 11 43.481 44.570 -1.089 1
1 67 . 7 1 1 A 11 11 GLY N N 11 113.527 111.139 2.388 1
1 68 . 7 1 1 A 12 12 GLY H H 12 7.935 8.377 -0.442 1
1 69 . 7 1 1 A 12 12 GLY C C 12 171.502 172.105 -0.603 1
1 70 . 7 1 1 A 12 12 GLY CA C 12 46.093 45.257 0.836 1
1 71 . 7 1 1 A 13 13 TRP H H 13 8.904 9.071 -0.167 1
1 72 . 7 1 1 A 13 13 TRP HA H 13 5.205 5.406 -0.201 1
1 81 . 7 1 1 A 13 13 TRP C C 13 177.926 176.588 1.338 1
1 82 . 7 1 1 A 13 13 TRP CA C 13 57.846 57.843 0.003 1
1 83 . 7 1 1 A 13 13 TRP CB C 13 30.290 30.999 -0.709 1
1 89 . 7 1 1 A 13 13 TRP N N 13 121.758 121.076 0.682 1
1 91 . 7 1 1 A 14 14 LEU H H 14 9.295 9.225 0.070 1
1 92 . 7 1 1 A 14 14 LEU HA H 14 4.683 4.805 -0.122 1
1 102 . 7 1 1 A 14 14 LEU C C 14 175.828 176.175 -0.347 1
1 103 . 7 1 1 A 14 14 LEU CA C 14 54.670 53.666 1.004 1
1 104 . 7 1 1 A 14 14 LEU CB C 14 47.562 45.805 1.757 1
1 108 . 7 1 1 A 14 14 LEU N N 14 123.447 124.007 -0.560 1
1 109 . 7 1 1 A 15 15 TRP H H 15 8.655 8.477 0.178 1
1 110 . 7 1 1 A 15 15 TRP HA H 15 5.315 5.301 0.014 1
1 119 . 7 1 1 A 15 15 TRP C C 15 175.899 176.035 -0.136 1
1 120 . 7 1 1 A 15 15 TRP CA C 15 57.159 58.038 -0.879 1
1 121 . 7 1 1 A 15 15 TRP CB C 15 30.759 29.843 0.916 1
1 127 . 7 1 1 A 15 15 TRP N N 15 119.571 124.732 -5.161 1
1 129 . 7 1 1 A 16 16 ARG H H 16 10.145 9.347 0.798 1
1 130 . 7 1 1 A 16 16 ARG HA H 16 5.495 5.682 -0.187 1
1 138 . 7 1 1 A 16 16 ARG C C 16 174.930 174.169 0.761 1
1 139 . 7 1 1 A 16 16 ARG CA C 16 54.334 54.275 0.059 1
1 140 . 7 1 1 A 16 16 ARG CB C 16 34.808 33.823 0.985 1
1 143 . 7 1 1 A 16 16 ARG N N 16 121.997 125.894 -3.897 1
1 145 . 7 1 1 A 17 17 GLN H H 17 8.233 8.498 -0.265 1
1 146 . 7 1 1 A 17 17 GLN HA H 17 3.797 4.768 -0.971 1
1 153 . 7 1 1 A 17 17 GLN C C 17 175.654 174.991 0.663 1
1 154 . 7 1 1 A 17 17 GLN CA C 17 55.446 53.912 1.534 1
1 155 . 7 1 1 A 17 17 GLN CB C 17 29.056 29.363 -0.307 1
1 157 . 7 1 1 A 17 17 GLN N N 17 128.414 126.171 2.243 1
1 159 . 7 1 1 A 18 18 SER H H 18 8.635 8.456 0.179 1
1 160 . 7 1 1 A 18 18 SER HA H 18 4.575 4.460 0.115 1
1 163 . 7 1 1 A 18 18 SER C C 18 175.585 175.537 0.048 1
1 164 . 7 1 1 A 18 18 SER CA C 18 57.246 57.755 -0.509 1
1 165 . 7 1 1 A 18 18 SER CB C 18 64.012 64.991 -0.979 1
1 166 . 7 1 1 A 18 18 SER N N 18 122.600 120.582 2.018 1
1 167 . 7 1 1 A 20 20 ILE H H 20 7.976 7.678 0.298 1
1 168 . 7 1 1 A 20 20 ILE HA H 20 4.036 3.955 0.081 1
1 178 . 7 1 1 A 20 20 ILE C C 20 176.929 177.468 -0.539 1
1 179 . 7 1 1 A 20 20 ILE CA C 20 62.929 63.479 -0.550 1
1 180 . 7 1 1 A 20 20 ILE CB C 20 37.912 38.337 -0.425 1
1 184 . 7 1 1 A 20 20 ILE N N 20 120.700 120.819 -0.119 1
1 185 . 7 1 1 A 21 21 LEU H H 21 8.089 7.687 0.402 1
1 186 . 7 1 1 A 21 21 LEU HA H 21 4.159 4.261 -0.102 1
1 196 . 7 1 1 A 21 21 LEU C C 21 176.455 176.206 0.249 1
1 197 . 7 1 1 A 21 21 LEU CA C 21 55.287 56.685 -1.398 1
1 198 . 7 1 1 A 21 21 LEU CB C 21 42.051 43.205 -1.154 1
1 202 . 7 1 1 A 21 21 LEU N N 21 119.540 122.120 -2.580 1
1 203 . 7 1 1 A 22 22 ARG H H 22 7.687 7.603 0.084 1
1 204 . 7 1 1 A 22 22 ARG HA H 22 3.806 3.741 0.065 1
1 211 . 7 1 1 A 22 22 ARG C C 22 175.087 174.458 0.629 1
1 212 . 7 1 1 A 22 22 ARG CA C 22 56.788 57.024 -0.236 1
1 213 . 7 1 1 A 22 22 ARG CB C 22 27.130 27.071 0.059 1
1 216 . 7 1 1 A 22 22 ARG N N 22 114.383 117.188 -2.805 1
1 217 . 7 1 1 A 23 23 ARG H H 23 7.392 7.610 -0.218 1
1 218 . 7 1 1 A 23 23 ARG HA H 23 4.603 4.781 -0.178 1
1 225 . 7 1 1 A 23 23 ARG C C 23 176.112 174.281 1.831 1
1 226 . 7 1 1 A 23 23 ARG CA C 23 54.846 54.682 0.164 1
1 227 . 7 1 1 A 23 23 ARG CB C 23 32.387 33.912 -1.525 1
1 230 . 7 1 1 A 23 23 ARG N N 23 115.846 117.688 -1.842 1
1 231 . 7 1 1 A 24 24 TRP H H 24 9.013 8.780 0.233 1
1 232 . 7 1 1 A 24 24 TRP HA H 24 5.154 5.390 -0.236 1
1 241 . 7 1 1 A 24 24 TRP C C 24 176.347 176.587 -0.240 1
1 242 . 7 1 1 A 24 24 TRP CA C 24 57.546 57.638 -0.092 1
1 243 . 7 1 1 A 24 24 TRP CB C 24 31.112 30.915 0.197 1
1 249 . 7 1 1 A 24 24 TRP N N 24 123.861 124.609 -0.748 1
1 251 . 7 1 1 A 25 25 LYS H H 25 9.553 9.372 0.181 1
1 252 . 7 1 1 A 25 25 LYS HA H 25 4.992 5.388 -0.396 1
1 261 . 7 1 1 A 25 25 LYS C C 25 173.887 175.052 -1.165 1
1 262 . 7 1 1 A 25 25 LYS CA C 25 55.023 55.149 -0.126 1
1 263 . 7 1 1 A 25 25 LYS CB C 25 35.965 36.428 -0.463 1
1 267 . 7 1 1 A 25 25 LYS N N 25 123.241 119.389 3.852 1
1 268 . 7 1 1 A 26 26 ARG H H 26 8.705 8.465 0.240 1
1 269 . 7 1 1 A 26 26 ARG HA H 26 4.494 4.134 0.360 1
1 276 . 7 1 1 A 26 26 ARG C C 26 175.755 175.450 0.305 1
1 277 . 7 1 1 A 26 26 ARG CA C 26 56.046 55.925 0.121 1
1 278 . 7 1 1 A 26 26 ARG CB C 26 30.783 30.474 0.309 1
1 281 . 7 1 1 A 26 26 ARG N N 26 124.843 122.187 2.656 1
1 282 . 7 1 1 A 27 27 ASN H H 27 9.100 8.741 0.359 1
1 283 . 7 1 1 A 27 27 ASN HA H 27 5.235 5.459 -0.224 1
1 288 . 7 1 1 A 27 27 ASN CA C 27 54.041 51.861 2.180 1
1 289 . 7 1 1 A 27 27 ASN CB C 27 46.737 42.821 3.916 1
1 290 . 7 1 1 A 27 27 ASN N N 27 123.044 121.625 1.419 1
1 292 . 7 1 1 A 28 28 TRP H H 28 7.835 8.237 -0.402 1
1 293 . 7 1 1 A 28 28 TRP HA H 28 4.105 4.905 -0.800 1
1 299 . 7 1 1 A 28 28 TRP N N 28 122.540 126.286 -3.746 1
1 300 . 7 1 1 A 29 29 PHE H H 29 8.755 8.681 0.074 1
1 301 . 7 1 1 A 29 29 PHE HA H 29 5.001 4.871 0.130 1
1 309 . 7 1 1 A 29 29 PHE CA C 29 56.692 56.376 0.316 1
1 310 . 7 1 1 A 29 29 PHE CB C 29 42.284 40.991 1.293 1
1 316 . 7 1 1 A 29 29 PHE N N 29 129.716 126.328 3.388 1
1 317 . 7 1 1 A 30 30 ALA H H 30 8.695 8.203 0.492 1
1 321 . 7 1 1 A 30 30 ALA C C 30 173.958 174.524 -0.566 1
1 322 . 7 1 1 A 30 30 ALA CA C 30 50.611 50.393 0.218 1
1 323 . 7 1 1 A 30 30 ALA CB C 30 22.570 21.918 0.652 1
1 324 . 7 1 1 A 31 31 LEU H H 31 8.815 8.494 0.321 1
1 325 . 7 1 1 A 31 31 LEU HA H 31 5.003 4.639 0.364 1
1 335 . 7 1 1 A 31 31 LEU C C 31 174.414 174.477 -0.063 1
1 336 . 7 1 1 A 31 31 LEU CA C 31 53.240 53.739 -0.499 1
1 337 . 7 1 1 A 31 31 LEU CB C 31 44.783 44.619 0.164 1
1 341 . 7 1 1 A 31 31 LEU N N 31 124.610 124.576 0.034 1
1 342 . 7 1 1 A 32 32 TRP H H 32 9.045 8.670 0.375 1
1 343 . 7 1 1 A 32 32 TRP HA H 32 5.499 5.225 0.274 1
1 352 . 7 1 1 A 32 32 TRP C C 32 178.871 177.125 1.746 1
1 353 . 7 1 1 A 32 32 TRP CA C 32 55.552 56.183 -0.631 1
1 354 . 7 1 1 A 32 32 TRP CB C 32 32.346 32.243 0.103 1
1 360 . 7 1 1 A 32 32 TRP N N 32 128.500 126.937 1.563 1
1 362 . 7 1 1 A 33 33 LEU H H 33 9.246 8.872 0.374 1
1 363 . 7 1 1 A 33 33 LEU HA H 33 4.075 4.098 -0.023 1
1 373 . 7 1 1 A 33 33 LEU C C 33 176.859 178.798 -1.939 1
1 374 . 7 1 1 A 33 33 LEU CA C 33 57.035 57.668 -0.633 1
1 375 . 7 1 1 A 33 33 LEU CB C 33 42.651 41.513 1.138 1
1 379 . 7 1 1 A 33 33 LEU N N 33 123.838 125.323 -1.485 1
1 380 . 7 1 1 A 34 34 ASP H H 34 7.536 8.144 -0.608 1
1 381 . 7 1 1 A 34 34 ASP HA H 34 4.395 4.583 -0.188 1
1 384 . 7 1 1 A 34 34 ASP C C 34 177.113 176.800 0.313 1
1 385 . 7 1 1 A 34 34 ASP CA C 34 53.805 54.391 -0.586 1
1 386 . 7 1 1 A 34 34 ASP CB C 34 39.625 41.294 -1.669 1
1 387 . 7 1 1 A 34 34 ASP N N 34 115.948 116.287 -0.339 1
1 388 . 7 1 1 A 35 35 GLY H H 35 8.264 8.500 -0.236 1
1 389 . 7 1 1 A 35 35 GLY HA2 H 35 4.205 4.108 0.097 1
1 390 . 7 1 1 A 35 35 GLY HA3 H 35 3.895 4.148 -0.253 1
1 391 . 7 1 1 A 35 35 GLY C C 35 173.898 173.879 0.019 1
1 392 . 7 1 1 A 35 35 GLY CA C 35 46.216 46.047 0.169 1
1 393 . 7 1 1 A 35 35 GLY N N 35 106.508 109.817 -3.309 1
1 394 . 7 1 1 A 36 36 THR H H 36 8.035 7.373 0.662 1
1 395 . 7 1 1 A 36 36 THR HA H 36 5.123 5.116 0.007 1
1 400 . 7 1 1 A 36 36 THR C C 36 170.669 173.163 -2.494 1
1 401 . 7 1 1 A 36 36 THR CA C 36 60.588 59.344 1.244 1
1 402 . 7 1 1 A 36 36 THR CB C 36 72.314 72.830 -0.516 1
1 404 . 7 1 1 A 36 36 THR N N 36 112.047 110.178 1.869 1
1 405 . 7 1 1 A 37 37 LEU H H 37 9.344 9.144 0.200 1
1 406 . 7 1 1 A 37 37 LEU HA H 37 5.616 5.113 0.503 1
1 416 . 7 1 1 A 37 37 LEU C C 37 175.787 174.926 0.861 1
1 417 . 7 1 1 A 37 37 LEU CA C 37 52.799 53.783 -0.984 1
1 418 . 7 1 1 A 37 37 LEU CB C 37 46.698 44.881 1.817 1
1 422 . 7 1 1 A 37 37 LEU N N 37 122.915 123.727 -0.812 1
1 423 . 7 1 1 A 38 38 GLY H H 38 9.685 8.604 1.081 1
1 424 . 7 1 1 A 38 38 GLY HA2 H 38 5.074 4.068 1.006 1
1 425 . 7 1 1 A 38 38 GLY HA3 H 38 3.825 4.255 -0.430 1
1 426 . 7 1 1 A 38 38 GLY C C 38 172.258 172.203 0.055 1
1 427 . 7 1 1 A 38 38 GLY CA C 38 43.676 44.010 -0.334 1
1 428 . 7 1 1 A 38 38 GLY N N 38 113.092 113.852 -0.760 1
1 429 . 7 1 1 A 39 39 TYR H H 39 7.362 8.003 -0.641 1
1 430 . 7 1 1 A 39 39 TYR HA H 39 5.251 5.232 0.019 1
1 437 . 7 1 1 A 39 39 TYR C C 39 175.367 173.744 1.623 1
1 438 . 7 1 1 A 39 39 TYR CA C 39 54.282 55.162 -0.880 1
1 439 . 7 1 1 A 39 39 TYR CB C 39 37.774 40.028 -2.254 1
1 444 . 7 1 1 A 39 39 TYR N N 39 113.951 118.543 -4.592 1
1 445 . 7 1 1 A 40 40 TYR H H 40 9.315 8.785 0.530 1
1 446 . 7 1 1 A 40 40 TYR HA H 40 5.305 4.895 0.410 1
1 453 . 7 1 1 A 40 40 TYR C C 40 177.694 176.711 0.983 1
1 454 . 7 1 1 A 40 40 TYR CA C 40 57.185 57.342 -0.157 1
1 455 . 7 1 1 A 40 40 TYR CB C 40 43.779 41.147 2.632 1
1 460 . 7 1 1 A 40 40 TYR N N 40 117.930 122.640 -4.710 1
1 461 . 7 1 1 A 41 41 HIS H H 41 8.658 8.890 -0.232 1
1 462 . 7 1 1 A 41 41 HIS HA H 41 4.654 4.307 0.347 1
1 467 . 7 1 1 A 41 41 HIS C C 41 174.858 175.578 -0.720 1
1 468 . 7 1 1 A 41 41 HIS CA C 41 59.159 59.316 -0.157 1
1 469 . 7 1 1 A 41 41 HIS CB C 41 31.094 29.945 1.149 1
1 472 . 7 1 1 A 41 41 HIS N N 41 121.927 121.554 0.373 1
1 473 . 7 1 1 A 42 42 ASP H H 42 8.095 8.243 -0.148 1
1 474 . 7 1 1 A 42 42 ASP HA H 42 4.795 4.903 -0.108 1
1 477 . 7 1 1 A 42 42 ASP C C 42 175.052 176.824 -1.772 1
1 478 . 7 1 1 A 42 42 ASP CA C 42 53.155 52.765 0.390 1
1 479 . 7 1 1 A 42 42 ASP CB C 42 41.860 44.114 -2.254 1
1 480 . 7 1 1 A 42 42 ASP N N 42 112.020 116.696 -4.676 1
1 481 . 7 1 1 A 43 43 GLU H H 43 8.899 8.871 0.028 1
1 482 . 7 1 1 A 43 43 GLU C C 43 176.336 177.710 -1.374 1
1 483 . 7 1 1 A 43 43 GLU CA C 43 57.021 57.860 -0.839 1
1 484 . 7 1 1 A 43 43 GLU CB C 43 27.493 28.343 -0.850 1
1 485 . 7 1 1 A 43 43 GLU N N 43 116.402 120.356 -3.954 1
1 486 . 7 1 1 A 44 44 THR H H 44 8.093 7.605 0.488 1
1 487 . 7 1 1 A 44 44 THR HA H 44 3.915 3.957 -0.042 1
1 492 . 7 1 1 A 44 44 THR CA C 44 63.143 64.214 -1.071 1
1 493 . 7 1 1 A 44 44 THR CB C 44 69.620 69.658 -0.038 1
1 495 . 7 1 1 A 44 44 THR N N 44 111.376 112.040 -0.664 1
1 496 . 7 1 1 A 45 45 ALA H H 45 7.815 7.648 0.167 1
1 497 . 7 1 1 A 45 45 ALA HA H 45 3.430 3.633 -0.203 1
1 501 . 7 1 1 A 45 45 ALA C C 45 175.091 176.833 -1.742 1
1 502 . 7 1 1 A 45 45 ALA CA C 45 53.434 52.475 0.959 1
1 503 . 7 1 1 A 45 45 ALA CB C 45 15.567 16.526 -0.959 1
1 504 . 7 1 1 A 46 46 GLN H H 46 7.869 7.963 -0.094 1
1 505 . 7 1 1 A 46 46 GLN HA H 46 4.238 4.235 0.003 1
1 512 . 7 1 1 A 46 46 GLN C C 46 176.190 176.382 -0.192 1
1 513 . 7 1 1 A 46 46 GLN CA C 46 56.929 57.714 -0.785 1
1 514 . 7 1 1 A 46 46 GLN CB C 46 30.454 29.625 0.829 1
1 516 . 7 1 1 A 46 46 GLN N N 46 115.953 114.892 1.061 1
1 518 . 7 1 1 A 47 47 ASP H H 47 8.326 7.824 0.502 1
1 519 . 7 1 1 A 47 47 ASP HA H 47 4.954 4.773 0.181 1
1 522 . 7 1 1 A 47 47 ASP C C 47 173.846 175.255 -1.409 1
1 523 . 7 1 1 A 47 47 ASP CA C 47 52.993 53.537 -0.544 1
1 524 . 7 1 1 A 47 47 ASP CB C 47 41.558 40.872 0.686 1
1 525 . 7 1 1 A 47 47 ASP N N 47 119.830 119.010 0.820 1
1 526 . 7 1 1 A 48 48 GLU H H 48 8.756 8.797 -0.041 1
1 527 . 7 1 1 A 48 48 GLU HA H 48 3.785 4.031 -0.246 1
1 532 . 7 1 1 A 48 48 GLU C C 48 175.892 176.528 -0.636 1
1 533 . 7 1 1 A 48 48 GLU CA C 48 56.470 55.606 0.864 1
1 534 . 7 1 1 A 48 48 GLU CB C 48 32.264 29.085 3.179 1
1 536 . 7 1 1 A 48 48 GLU N N 48 125.923 127.438 -1.515 1
1 537 . 7 1 1 A 49 49 GLU H H 49 8.945 8.675 0.270 1
1 538 . 7 1 1 A 49 49 GLU HA H 49 4.164 4.123 0.041 1
1 543 . 7 1 1 A 49 49 GLU C C 49 176.040 175.955 0.085 1
1 544 . 7 1 1 A 49 49 GLU CA C 49 58.447 58.586 -0.139 1
1 545 . 7 1 1 A 49 49 GLU CB C 49 30.207 30.389 -0.182 1
1 547 . 7 1 1 A 49 49 GLU N N 49 129.751 126.669 3.082 1
1 548 . 7 1 1 A 50 50 ASP H H 50 6.736 6.993 -0.257 1
1 549 . 7 1 1 A 50 50 ASP HA H 50 4.355 4.807 -0.452 1
1 552 . 7 1 1 A 50 50 ASP C C 50 172.562 173.359 -0.797 1
1 553 . 7 1 1 A 50 50 ASP CA C 50 52.729 53.264 -0.535 1
1 554 . 7 1 1 A 50 50 ASP CB C 50 43.737 44.081 -0.344 1
1 555 . 7 1 1 A 50 50 ASP N N 50 113.574 115.000 -1.426 1
1 556 . 7 1 1 A 51 51 ARG H H 51 8.532 8.557 -0.025 1
1 557 . 7 1 1 A 51 51 ARG HA H 51 5.005 5.105 -0.100 1
1 565 . 7 1 1 A 51 51 ARG C C 51 174.656 174.625 0.031 1
1 566 . 7 1 1 A 51 51 ARG CA C 51 55.605 55.231 0.374 1
1 567 . 7 1 1 A 51 51 ARG CB C 51 33.520 33.942 -0.422 1
1 570 . 7 1 1 A 51 51 ARG N N 51 117.888 122.582 -4.694 1
1 572 . 7 1 1 A 52 52 VAL H H 52 9.155 9.382 -0.227 1
1 573 . 7 1 1 A 52 52 VAL HA H 52 4.616 4.978 -0.362 1
1 581 . 7 1 1 A 52 52 VAL C C 52 174.710 175.408 -0.698 1
1 582 . 7 1 1 A 52 52 VAL CA C 52 59.382 60.384 -1.002 1
1 583 . 7 1 1 A 52 52 VAL CB C 52 35.266 34.675 0.591 1
1 586 . 7 1 1 A 52 52 VAL N N 52 121.629 121.898 -0.269 1
1 587 . 7 1 1 A 53 53 VAL H H 53 8.956 9.010 -0.054 1
1 588 . 7 1 1 A 53 53 VAL HA H 53 3.745 4.151 -0.406 1
1 596 . 7 1 1 A 53 53 VAL C C 53 174.610 175.772 -1.162 1
1 597 . 7 1 1 A 53 53 VAL CA C 53 64.676 63.807 0.869 1
1 598 . 7 1 1 A 53 53 VAL CB C 53 32.305 32.152 0.153 1
1 601 . 7 1 1 A 53 53 VAL N N 53 125.547 126.157 -0.610 1
1 602 . 7 1 1 A 54 54 ILE H H 54 8.705 9.039 -0.334 1
1 603 . 7 1 1 A 54 54 ILE HA H 54 4.324 4.221 0.103 1
1 613 . 7 1 1 A 54 54 ILE C C 54 176.747 176.348 0.399 1
1 614 . 7 1 1 A 54 54 ILE CA C 54 58.623 63.112 -4.489 1
1 615 . 7 1 1 A 54 54 ILE CB C 54 36.787 39.423 -2.636 1
1 619 . 7 1 1 A 54 54 ILE N N 54 126.147 126.468 -0.321 1
1 620 . 7 1 1 A 55 55 HIS H H 55 7.913 7.654 0.259 1
1 621 . 7 1 1 A 55 55 HIS HA H 55 4.626 4.296 0.330 1
1 626 . 7 1 1 A 55 55 HIS C C 55 174.365 175.790 -1.425 1
1 627 . 7 1 1 A 55 55 HIS CA C 55 57.917 56.709 1.208 1
1 628 . 7 1 1 A 55 55 HIS CB C 55 29.796 29.674 0.122 1
1 631 . 7 1 1 A 55 55 HIS N N 55 119.790 123.068 -3.278 1
1 632 . 7 1 1 A 56 56 PHE H H 56 9.382 8.550 0.832 1
1 633 . 7 1 1 A 56 56 PHE HA H 56 4.225 4.368 -0.143 1
1 641 . 7 1 1 A 56 56 PHE C C 56 175.781 175.160 0.621 1
1 642 . 7 1 1 A 56 56 PHE CA C 56 57.593 58.467 -0.874 1
1 643 . 7 1 1 A 56 56 PHE CB C 56 36.664 36.148 0.516 1
1 649 . 7 1 1 A 56 56 PHE N N 56 124.614 123.692 0.922 1
1 650 . 7 1 1 A 57 57 ASN H H 57 8.755 8.168 0.587 1
1 651 . 7 1 1 A 57 57 ASN HA H 57 5.319 5.078 0.241 1
1 656 . 7 1 1 A 57 57 ASN C C 57 175.317 175.012 0.305 1
1 657 . 7 1 1 A 57 57 ASN CA C 57 52.129 52.547 -0.418 1
1 658 . 7 1 1 A 57 57 ASN CB C 57 41.640 39.175 2.465 1
1 659 . 7 1 1 A 57 57 ASN N N 57 114.893 117.136 -2.243 1
1 661 . 7 1 1 A 58 58 VAL H H 58 8.606 7.203 1.403 1
1 662 . 7 1 1 A 58 58 VAL HA H 58 4.138 4.442 -0.304 1
1 670 . 7 1 1 A 58 58 VAL C C 58 175.486 175.563 -0.077 1
1 671 . 7 1 1 A 58 58 VAL CA C 58 63.035 61.798 1.237 1
1 672 . 7 1 1 A 58 58 VAL CB C 58 32.733 32.902 -0.169 1
1 675 . 7 1 1 A 58 58 VAL N N 58 121.476 120.102 1.374 1
1 676 . 7 1 1 A 59 59 ARG H H 59 9.233 9.494 -0.261 1
1 677 . 7 1 1 A 59 59 ARG HA H 59 4.184 4.412 -0.228 1
1 684 . 7 1 1 A 59 59 ARG C C 59 175.572 175.664 -0.092 1
1 685 . 7 1 1 A 59 59 ARG CA C 59 58.093 57.096 0.997 1
1 686 . 7 1 1 A 59 59 ARG CB C 59 31.236 31.953 -0.717 1
1 689 . 7 1 1 A 59 59 ARG N N 59 128.965 128.234 0.731 1
1 690 . 7 1 1 A 60 60 ASP H H 60 7.745 7.700 0.045 1
1 691 . 7 1 1 A 60 60 ASP HA H 60 4.485 4.914 -0.429 1
1 694 . 7 1 1 A 60 60 ASP C C 60 173.047 173.563 -0.516 1
1 695 . 7 1 1 A 60 60 ASP CA C 60 53.911 53.313 0.598 1
1 696 . 7 1 1 A 60 60 ASP CB C 60 42.874 43.102 -0.228 1
1 697 . 7 1 1 A 60 60 ASP N N 60 113.170 114.715 -1.545 1
1 698 . 7 1 1 A 61 61 ILE H H 61 8.398 8.454 -0.056 1
1 699 . 7 1 1 A 61 61 ILE HA H 61 5.055 4.867 0.188 1
1 709 . 7 1 1 A 61 61 ILE C C 61 174.897 174.356 0.541 1
1 710 . 7 1 1 A 61 61 ILE CA C 61 60.511 60.704 -0.193 1
1 711 . 7 1 1 A 61 61 ILE CB C 61 41.558 40.714 0.844 1
1 715 . 7 1 1 A 61 61 ILE N N 61 118.375 120.678 -2.303 1
1 716 . 7 1 1 A 62 62 LYS H H 62 8.619 8.722 -0.103 1
1 717 . 7 1 1 A 62 62 LYS HA H 62 4.711 5.389 -0.678 1
1 726 . 7 1 1 A 62 62 LYS C C 62 174.636 175.498 -0.862 1
1 727 . 7 1 1 A 62 62 LYS CA C 62 53.947 55.028 -1.081 1
1 728 . 7 1 1 A 62 62 LYS CB C 62 35.677 35.149 0.528 1
1 732 . 7 1 1 A 62 62 LYS N N 62 128.701 126.823 1.878 1
1 733 . 7 1 1 A 63 63 VAL H H 63 8.946 8.469 0.477 1
1 734 . 7 1 1 A 63 63 VAL HA H 63 5.073 4.630 0.443 1
1 742 . 7 1 1 A 63 63 VAL C C 63 177.772 176.273 1.499 1
1 743 . 7 1 1 A 63 63 VAL CA C 63 59.734 60.915 -1.181 1
1 744 . 7 1 1 A 63 63 VAL CB C 63 36.210 34.465 1.745 1
1 747 . 7 1 1 A 63 63 VAL N N 63 120.053 122.856 -2.803 1
1 748 . 7 1 1 A 64 64 GLY H H 64 9.804 9.183 0.621 1
1 749 . 7 1 1 A 64 64 GLY HA2 H 64 4.415 3.950 0.465 1
1 750 . 7 1 1 A 64 64 GLY HA3 H 64 3.906 3.951 -0.045 1
1 751 . 7 1 1 A 64 64 GLY C C 64 176.864 175.056 1.808 1
1 752 . 7 1 1 A 64 64 GLY CA C 64 47.063 47.083 -0.020 1
1 753 . 7 1 1 A 64 64 GLY N N 64 118.354 114.528 3.826 1
1 754 . 7 1 1 A 65 65 GLN H H 65 9.045 8.881 0.164 1
1 755 . 7 1 1 A 65 65 GLN HA H 65 3.944 4.062 -0.118 1
1 762 . 7 1 1 A 65 65 GLN C C 65 176.698 178.160 -1.462 1
1 763 . 7 1 1 A 65 65 GLN CA C 65 57.793 58.676 -0.883 1
1 764 . 7 1 1 A 65 65 GLN CB C 65 27.822 28.394 -0.572 1
1 766 . 7 1 1 A 65 65 GLN N N 65 124.600 125.000 -0.400 1
1 768 . 7 1 1 A 66 66 GLU H H 66 7.886 7.650 0.236 1
1 769 . 7 1 1 A 66 66 GLU HA H 66 4.145 4.081 0.064 1
1 774 . 7 1 1 A 66 66 GLU C C 66 178.049 177.645 0.404 1
1 775 . 7 1 1 A 66 66 GLU CA C 66 57.564 59.454 -1.890 1
1 776 . 7 1 1 A 66 66 GLU CB C 66 31.236 29.206 2.030 1
1 778 . 7 1 1 A 66 66 GLU N N 66 116.486 118.836 -2.350 1
1 779 . 7 1 1 A 67 67 CYS H H 67 8.015 7.686 0.329 1
1 780 . 7 1 1 A 67 67 CYS HA H 67 4.331 4.353 -0.022 1
1 783 . 7 1 1 A 67 67 CYS C C 67 175.278 174.522 0.756 1
1 784 . 7 1 1 A 67 67 CYS CA C 67 58.817 59.978 -1.161 1
1 785 . 7 1 1 A 67 67 CYS CB C 67 26.342 27.621 -1.279 1
1 786 . 7 1 1 A 67 67 CYS N N 67 119.526 118.896 0.630 1
1 787 . 7 1 1 A 68 68 GLN H H 68 7.983 8.646 -0.663 1
1 788 . 7 1 1 A 68 68 GLN HA H 68 4.199 4.921 -0.722 1
1 795 . 7 1 1 A 68 68 GLN C C 68 175.866 175.451 0.415 1
1 796 . 7 1 1 A 68 68 GLN CA C 68 56.399 54.146 2.253 1
1 797 . 7 1 1 A 68 68 GLN CB C 68 29.837 32.156 -2.319 1
1 799 . 7 1 1 A 68 68 GLN N N 68 120.826 124.445 -3.619 1
1 801 . 7 1 1 A 69 69 ASP H H 69 8.755 9.147 -0.392 1
1 802 . 7 1 1 A 69 69 ASP HA H 69 4.395 4.238 0.157 1
1 805 . 7 1 1 A 69 69 ASP C C 69 174.652 175.067 -0.415 1
1 806 . 7 1 1 A 69 69 ASP CA C 69 54.546 55.274 -0.728 1
1 807 . 7 1 1 A 69 69 ASP CB C 69 39.954 40.043 -0.089 1
1 808 . 7 1 1 A 69 69 ASP N N 69 117.691 122.336 -4.645 1
1 809 . 7 1 1 A 70 70 VAL H H 70 7.245 7.870 -0.625 1
1 810 . 7 1 1 A 70 70 VAL HA H 70 4.173 4.779 -0.606 1
1 818 . 7 1 1 A 70 70 VAL C C 70 173.502 173.908 -0.406 1
1 819 . 7 1 1 A 70 70 VAL CA C 70 60.502 60.129 0.373 1
1 820 . 7 1 1 A 70 70 VAL CB C 70 34.397 35.473 -1.076 1
1 823 . 7 1 1 A 70 70 VAL N N 70 116.632 117.803 -1.171 1
1 824 . 7 1 1 A 71 71 GLN H H 71 8.513 8.834 -0.321 1
1 825 . 7 1 1 A 71 71 GLN HA H 71 4.758 5.081 -0.323 1
1 832 . 7 1 1 A 71 71 GLN C C 71 173.404 174.238 -0.834 1
1 833 . 7 1 1 A 71 71 GLN CA C 71 52.093 53.739 -1.646 1
1 834 . 7 1 1 A 71 71 GLN CB C 71 29.467 30.399 -0.932 1
1 836 . 7 1 1 A 71 71 GLN N N 71 125.361 127.833 -2.472 1
1 838 . 7 1 1 A 72 72 PRO HA H 72 3.955 4.318 -0.363 1
1 845 . 7 1 1 A 72 72 PRO CA C 72 61.219 61.796 -0.577 1
1 846 . 7 1 1 A 72 72 PRO CB C 72 30.548 31.973 -1.425 1
1 849 . 7 1 1 A 73 73 PRO HA H 73 3.584 4.275 -0.691 1
1 856 . 7 1 1 A 73 73 PRO C C 73 175.005 176.193 -1.188 1
1 857 . 7 1 1 A 73 73 PRO CA C 73 61.764 61.798 -0.034 1
1 858 . 7 1 1 A 73 73 PRO CB C 73 30.080 31.590 -1.510 1
1 861 . 7 1 1 A 74 74 GLU H H 74 8.066 8.493 -0.427 1
1 862 . 7 1 1 A 74 74 GLU HA H 74 3.766 3.801 -0.035 1
1 867 . 7 1 1 A 74 74 GLU C C 74 177.415 176.943 0.472 1
1 868 . 7 1 1 A 74 74 GLU CA C 74 58.005 58.072 -0.067 1
1 869 . 7 1 1 A 74 74 GLU CB C 74 29.340 29.192 0.148 1
1 871 . 7 1 1 A 74 74 GLU N N 74 120.425 122.056 -1.631 1
1 872 . 7 1 1 A 75 75 GLY H H 75 8.576 8.867 -0.291 1
1 873 . 7 1 1 A 75 75 GLY HA2 H 75 4.024 3.864 0.160 1
1 874 . 7 1 1 A 75 75 GLY HA3 H 75 3.568 3.908 -0.340 1
1 875 . 7 1 1 A 75 75 GLY C C 75 174.093 174.583 -0.490 1
1 876 . 7 1 1 A 75 75 GLY CA C 75 45.299 45.270 0.029 1
1 877 . 7 1 1 A 75 75 GLY N N 75 112.779 115.057 -2.278 1
1 878 . 7 1 1 A 76 76 ARG H H 76 7.791 7.329 0.462 1
1 879 . 7 1 1 A 76 76 ARG HA H 76 4.444 4.230 0.214 1
1 887 . 7 1 1 A 76 76 ARG C C 76 175.188 174.806 0.382 1
1 888 . 7 1 1 A 76 76 ARG CA C 76 54.617 56.198 -1.581 1
1 889 . 7 1 1 A 76 76 ARG CB C 76 31.030 31.449 -0.419 1
1 892 . 7 1 1 A 76 76 ARG N N 76 121.088 121.118 -0.030 1
1 894 . 7 1 1 A 77 77 SER H H 77 8.235 8.624 -0.389 1
1 895 . 7 1 1 A 77 77 SER HA H 77 4.405 4.787 -0.382 1
1 898 . 7 1 1 A 77 77 SER C C 77 176.069 174.300 1.769 1
1 899 . 7 1 1 A 77 77 SER CA C 77 56.805 57.490 -0.685 1
1 900 . 7 1 1 A 77 77 SER CB C 77 64.136 66.893 -2.757 1
1 901 . 7 1 1 A 77 77 SER N N 77 113.991 116.284 -2.293 1
1 902 . 7 1 1 A 78 78 ARG H H 78 8.745 9.090 -0.345 1
1 903 . 7 1 1 A 78 78 ARG HA H 78 3.774 3.888 -0.114 1
1 909 . 7 1 1 A 78 78 ARG C C 78 176.758 177.607 -0.849 1
1 910 . 7 1 1 A 78 78 ARG CA C 78 58.341 60.154 -1.813 1
1 911 . 7 1 1 A 78 78 ARG CB C 78 30.043 30.244 -0.201 1
1 914 . 7 1 1 A 78 78 ARG N N 78 122.262 124.752 -2.490 1
1 915 . 7 1 1 A 79 79 ASP H H 79 8.106 8.400 -0.294 1
1 916 . 7 1 1 A 79 79 ASP HA H 79 4.175 4.331 -0.156 1
1 919 . 7 1 1 A 79 79 ASP C C 79 175.579 179.847 -4.268 1
1 920 . 7 1 1 A 79 79 ASP CA C 79 57.159 56.915 0.244 1
1 921 . 7 1 1 A 79 79 ASP CB C 79 40.900 40.296 0.604 1
1 922 . 7 1 1 A 79 79 ASP N N 79 115.963 119.667 -3.704 1
1 923 . 7 1 1 A 80 80 GLY H H 80 7.305 8.187 -0.882 1
1 924 . 7 1 1 A 80 80 GLY HA2 H 80 4.047 3.737 0.310 1
1 925 . 7 1 1 A 80 80 GLY HA3 H 80 3.387 3.766 -0.379 1
1 926 . 7 1 1 A 80 80 GLY C C 80 174.263 175.191 -0.928 1
1 927 . 7 1 1 A 80 80 GLY CA C 80 44.276 47.372 -3.096 1
1 928 . 7 1 1 A 80 80 GLY N N 80 101.592 107.861 -6.269 1
1 929 . 7 1 1 A 81 81 LEU H H 81 7.307 7.322 -0.015 1
1 930 . 7 1 1 A 81 81 LEU HA H 81 4.494 4.276 0.218 1
1 940 . 7 1 1 A 81 81 LEU C C 81 176.212 176.612 -0.400 1
1 941 . 7 1 1 A 81 81 LEU CA C 81 56.346 55.902 0.444 1
1 942 . 7 1 1 A 81 81 LEU CB C 81 44.025 42.415 1.610 1
1 946 . 7 1 1 A 81 81 LEU N N 81 121.062 121.987 -0.925 1
1 947 . 7 1 1 A 82 82 LEU H H 82 8.286 8.568 -0.282 1
1 948 . 7 1 1 A 82 82 LEU HA H 82 5.260 4.849 0.411 1
1 958 . 7 1 1 A 82 82 LEU C C 82 175.122 174.482 0.640 1
1 959 . 7 1 1 A 82 82 LEU CA C 82 55.334 54.664 0.670 1
1 960 . 7 1 1 A 82 82 LEU CB C 82 46.064 45.392 0.672 1
1 964 . 7 1 1 A 82 82 LEU N N 82 118.524 122.647 -4.123 1
1 965 . 7 1 1 A 83 83 THR H H 83 9.095 8.957 0.138 1
1 966 . 7 1 1 A 83 83 THR HA H 83 5.305 5.299 0.006 1
1 971 . 7 1 1 A 83 83 THR C C 83 173.754 173.793 -0.039 1
1 972 . 7 1 1 A 83 83 THR CA C 83 61.076 61.599 -0.523 1
1 973 . 7 1 1 A 83 83 THR CB C 83 71.268 70.229 1.039 1
1 975 . 7 1 1 A 83 83 THR N N 83 120.894 123.135 -2.241 1
1 976 . 7 1 1 A 84 84 VAL H H 84 9.175 8.813 0.362 1
1 977 . 7 1 1 A 84 84 VAL HA H 84 4.205 4.480 -0.275 1
1 985 . 7 1 1 A 84 84 VAL C C 84 173.741 174.706 -0.965 1
1 986 . 7 1 1 A 84 84 VAL CA C 84 61.182 61.100 0.082 1
1 987 . 7 1 1 A 84 84 VAL CB C 84 32.921 33.894 -0.973 1
1 990 . 7 1 1 A 84 84 VAL N N 84 127.342 127.161 0.181 1
1 991 . 7 1 1 A 85 85 ASN H H 85 8.597 9.373 -0.776 1
1 992 . 7 1 1 A 85 85 ASN HA H 85 4.960 5.370 -0.410 1
1 997 . 7 1 1 A 85 85 ASN C C 85 174.440 173.987 0.453 1
1 998 . 7 1 1 A 85 85 ASN CA C 85 52.870 51.703 1.167 1
1 999 . 7 1 1 A 85 85 ASN CB C 85 39.214 41.879 -2.665 1
1 1000 . 7 1 1 A 85 85 ASN N N 85 125.999 125.172 0.827 1
1 1002 . 7 1 1 A 86 86 LEU H H 86 8.283 8.554 -0.271 1
1 1003 . 7 1 1 A 86 86 LEU HA H 86 5.176 5.011 0.165 1
1 1013 . 7 1 1 A 86 86 LEU C C 86 178.644 177.996 0.648 1
1 1014 . 7 1 1 A 86 86 LEU CA C 86 53.700 53.546 0.154 1
1 1015 . 7 1 1 A 86 86 LEU CB C 86 42.298 43.275 -0.977 1
1 1019 . 7 1 1 A 86 86 LEU N N 86 125.763 124.279 1.484 1
1 1020 . 7 1 1 A 87 87 ARG H H 87 8.655 9.211 -0.556 1
1 1021 . 7 1 1 A 87 87 ARG HA H 87 3.905 4.109 -0.204 1
1 1028 . 7 1 1 A 87 87 ARG C C 87 177.223 177.976 -0.753 1
1 1029 . 7 1 1 A 87 87 ARG CA C 87 59.717 58.806 0.911 1
1 1030 . 7 1 1 A 87 87 ARG CB C 87 29.280 29.763 -0.483 1
1 1033 . 7 1 1 A 87 87 ARG N N 87 123.105 123.112 -0.007 1
1 1034 . 7 1 1 A 88 88 GLU H H 88 8.525 8.134 0.391 1
1 1035 . 7 1 1 A 88 88 GLU HA H 88 4.515 4.224 0.291 1
1 1040 . 7 1 1 A 88 88 GLU C C 88 175.762 176.850 -1.088 1
1 1041 . 7 1 1 A 88 88 GLU CA C 88 55.852 57.951 -2.099 1
1 1042 . 7 1 1 A 88 88 GLU CB C 88 30.249 29.599 0.650 1
1 1044 . 7 1 1 A 88 88 GLU N N 88 117.722 117.834 -0.112 1
1 1045 . 7 1 1 A 89 89 GLY H H 89 8.063 7.504 0.559 1
1 1046 . 7 1 1 A 89 89 GLY HA2 H 89 3.735 4.021 -0.286 1
1 1047 . 7 1 1 A 89 89 GLY HA3 H 89 4.536 4.023 0.513 1
1 1048 . 7 1 1 A 89 89 GLY C C 89 173.864 174.713 -0.849 1
1 1049 . 7 1 1 A 89 89 GLY CA C 89 44.222 45.394 -1.172 1
1 1050 . 7 1 1 A 89 89 GLY N N 89 110.616 108.672 1.944 1
1 1051 . 7 1 1 A 90 90 SER H H 90 8.094 8.057 0.037 1
1 1052 . 7 1 1 A 90 90 SER HA H 90 4.484 4.482 0.002 1
1 1055 . 7 1 1 A 90 90 SER C C 90 172.813 174.601 -1.788 1
1 1056 . 7 1 1 A 90 90 SER CA C 90 58.552 58.705 -0.153 1
1 1057 . 7 1 1 A 90 90 SER CB C 90 63.915 63.800 0.115 1
1 1058 . 7 1 1 A 90 90 SER N N 90 116.620 116.118 0.502 1
1 1059 . 7 1 1 A 91 91 ARG H H 91 8.285 8.854 -0.569 1
1 1060 . 7 1 1 A 91 91 ARG HA H 91 4.725 5.158 -0.433 1
1 1067 . 7 1 1 A 91 91 ARG C C 91 175.511 174.992 0.519 1
1 1068 . 7 1 1 A 91 91 ARG CA C 91 55.870 53.974 1.896 1
1 1069 . 7 1 1 A 91 91 ARG CB C 91 32.058 33.472 -1.414 1
1 1072 . 7 1 1 A 91 91 ARG N N 91 121.045 120.862 0.183 1
1 1073 . 7 1 1 A 92 92 LEU H H 92 8.485 9.103 -0.618 1
1 1074 . 7 1 1 A 92 92 LEU HA H 92 4.555 5.038 -0.483 1
1 1084 . 7 1 1 A 92 92 LEU C C 92 174.815 175.533 -0.718 1
1 1085 . 7 1 1 A 92 92 LEU CA C 92 53.629 53.451 0.178 1
1 1086 . 7 1 1 A 92 92 LEU CB C 92 44.066 45.157 -1.091 1
1 1090 . 7 1 1 A 92 92 LEU N N 92 123.633 120.468 3.165 1
1 1091 . 7 1 1 A 93 93 HIS H H 93 8.871 9.092 -0.221 1
1 1092 . 7 1 1 A 93 93 HIS HA H 93 5.135 5.131 0.004 1
1 1097 . 7 1 1 A 93 93 HIS C C 93 173.251 174.631 -1.380 1
1 1098 . 7 1 1 A 93 93 HIS CA C 93 56.135 55.111 1.024 1
1 1099 . 7 1 1 A 93 93 HIS CB C 93 30.701 30.772 -0.071 1
1 1101 . 7 1 1 A 93 93 HIS N N 93 124.492 123.154 1.338 1
1 1102 . 7 1 1 A 94 94 LEU H H 94 9.105 9.260 -0.155 1
1 1103 . 7 1 1 A 94 94 LEU HA H 94 5.940 5.585 0.355 1
1 1113 . 7 1 1 A 94 94 LEU C C 94 177.396 175.643 1.753 1
1 1114 . 7 1 1 A 94 94 LEU CA C 94 52.552 53.511 -0.959 1
1 1115 . 7 1 1 A 94 94 LEU CB C 94 45.465 46.354 -0.889 1
1 1119 . 7 1 1 A 94 94 LEU N N 94 122.911 124.477 -1.566 1
1 1120 . 7 1 1 A 95 95 CYS H H 95 8.953 8.886 0.067 1
1 1121 . 7 1 1 A 95 95 CYS HA H 95 4.863 5.307 -0.444 1
1 1124 . 7 1 1 A 95 95 CYS C C 95 172.585 173.189 -0.604 1
1 1125 . 7 1 1 A 95 95 CYS CA C 95 59.964 57.483 2.481 1
1 1126 . 7 1 1 A 95 95 CYS CB C 95 29.220 31.890 -2.670 1
1 1127 . 7 1 1 A 95 95 CYS N N 95 118.920 120.309 -1.389 1
1 1128 . 7 1 1 A 96 96 ALA H H 96 9.465 8.544 0.921 1
1 1129 . 7 1 1 A 96 96 ALA HA H 96 5.035 4.824 0.211 1
1 1133 . 7 1 1 A 96 96 ALA C C 96 177.396 178.671 -1.275 1
1 1134 . 7 1 1 A 96 96 ALA CA C 96 50.205 49.956 0.249 1
1 1135 . 7 1 1 A 96 96 ALA CB C 96 21.571 22.570 -0.999 1
1 1136 . 7 1 1 A 96 96 ALA N N 96 132.924 124.397 8.527 1
1 1137 . 7 1 1 A 97 97 GLU H H 97 9.636 8.963 0.673 1
1 1138 . 7 1 1 A 97 97 GLU HA H 97 4.344 4.220 0.124 1
1 1143 . 7 1 1 A 97 97 GLU C C 97 176.882 176.597 0.285 1
1 1144 . 7 1 1 A 97 97 GLU CA C 97 58.040 59.133 -1.093 1
1 1145 . 7 1 1 A 97 97 GLU CB C 97 30.207 29.224 0.983 1
1 1147 . 7 1 1 A 97 97 GLU N N 97 116.636 118.434 -1.798 1
1 1148 . 7 1 1 A 98 98 THR H H 98 7.155 7.722 -0.567 1
1 1149 . 7 1 1 A 98 98 THR HA H 98 4.684 4.661 0.023 1
1 1154 . 7 1 1 A 98 98 THR C C 98 174.259 174.762 -0.503 1
1 1155 . 7 1 1 A 98 98 THR CA C 98 58.323 59.796 -1.473 1
1 1156 . 7 1 1 A 98 98 THR CB C 98 73.529 72.712 0.817 1
1 1158 . 7 1 1 A 98 98 THR N N 98 102.167 110.575 -8.408 1
1 1159 . 7 1 1 A 99 99 ARG H H 99 9.025 8.882 0.143 1
1 1160 . 7 1 1 A 99 99 ARG HA H 99 4.056 4.074 -0.018 1
1 1167 . 7 1 1 A 99 99 ARG C C 99 177.995 178.133 -0.138 1
1 1168 . 7 1 1 A 99 99 ARG CA C 99 59.029 59.094 -0.065 1
1 1169 . 7 1 1 A 99 99 ARG CB C 99 30.208 30.174 0.034 1
1 1172 . 7 1 1 A 99 99 ARG N N 99 122.747 120.539 2.208 1
1 1173 . 7 1 1 A 100 100 ASP H H 100 8.387 8.393 -0.006 1
1 1174 . 7 1 1 A 100 100 ASP HA H 100 4.306 4.294 0.012 1
1 1177 . 7 1 1 A 100 100 ASP C C 100 179.110 178.464 0.646 1
1 1178 . 7 1 1 A 100 100 ASP CA C 100 57.475 57.561 -0.086 1
1 1179 . 7 1 1 A 100 100 ASP CB C 100 40.201 41.675 -1.474 1
1 1180 . 7 1 1 A 100 100 ASP N N 100 116.422 119.732 -3.310 1
1 1181 . 7 1 1 A 101 101 ASP H H 101 8.046 7.603 0.443 1
1 1182 . 7 1 1 A 101 101 ASP HA H 101 4.576 4.374 0.202 1
1 1185 . 7 1 1 A 101 101 ASP C C 101 177.751 178.723 -0.972 1
1 1186 . 7 1 1 A 101 101 ASP CA C 101 57.229 57.178 0.051 1
1 1187 . 7 1 1 A 101 101 ASP CB C 101 42.093 40.267 1.826 1
1 1188 . 7 1 1 A 101 101 ASP N N 101 120.742 119.001 1.741 1
1 1189 . 7 1 1 A 102 102 ALA H H 102 7.674 7.727 -0.053 1
1 1190 . 7 1 1 A 102 102 ALA HA H 102 4.084 4.250 -0.166 1
1 1194 . 7 1 1 A 102 102 ALA C C 102 179.609 179.879 -0.270 1
1 1195 . 7 1 1 A 102 102 ALA CA C 102 56.364 55.255 1.109 1
1 1196 . 7 1 1 A 102 102 ALA CB C 102 17.952 18.384 -0.432 1
1 1197 . 7 1 1 A 102 102 ALA N N 102 122.523 122.111 0.412 1
1 1198 . 7 1 1 A 103 103 ILE H H 103 8.499 8.509 -0.010 1
1 1199 . 7 1 1 A 103 103 ILE HA H 103 3.681 3.701 -0.020 1
1 1209 . 7 1 1 A 103 103 ILE C C 103 178.622 178.071 0.551 1
1 1210 . 7 1 1 A 103 103 ILE CA C 103 64.182 65.388 -1.206 1
1 1211 . 7 1 1 A 103 103 ILE CB C 103 37.240 37.523 -0.283 1
1 1215 . 7 1 1 A 103 103 ILE N N 103 117.417 118.099 -0.682 1
1 1216 . 7 1 1 A 104 104 ALA H H 104 8.174 8.145 0.029 1
1 1217 . 7 1 1 A 104 104 ALA HA H 104 4.095 4.025 0.070 1
1 1221 . 7 1 1 A 104 104 ALA C C 104 181.998 179.604 2.394 1
1 1222 . 7 1 1 A 104 104 ALA CA C 104 55.517 55.068 0.449 1
1 1223 . 7 1 1 A 104 104 ALA CB C 104 17.294 18.500 -1.206 1
1 1224 . 7 1 1 A 104 104 ALA N N 104 124.916 121.859 3.057 1
1 1225 . 7 1 1 A 105 105 TRP H H 105 8.365 7.871 0.494 1
1 1226 . 7 1 1 A 105 105 TRP HA H 105 4.025 4.441 -0.416 1
1 1235 . 7 1 1 A 105 105 TRP C C 105 177.969 178.772 -0.803 1
1 1236 . 7 1 1 A 105 105 TRP CA C 105 62.011 59.981 2.030 1
1 1237 . 7 1 1 A 105 105 TRP CB C 105 29.179 28.949 0.230 1
1 1243 . 7 1 1 A 105 105 TRP N N 105 119.726 118.355 1.371 1
1 1245 . 7 1 1 A 106 106 LYS H H 106 8.746 7.968 0.778 1
1 1246 . 7 1 1 A 106 106 LYS HA H 106 3.805 4.123 -0.318 1
1 1255 . 7 1 1 A 106 106 LYS C C 106 177.626 179.028 -1.402 1
1 1256 . 7 1 1 A 106 106 LYS CA C 106 60.865 59.526 1.339 1
1 1257 . 7 1 1 A 106 106 LYS CB C 106 31.606 32.068 -0.462 1
1 1261 . 7 1 1 A 106 106 LYS N N 106 120.565 120.168 0.397 1
1 1262 . 7 1 1 A 107 107 THR H H 107 8.714 7.878 0.836 1
1 1263 . 7 1 1 A 107 107 THR HA H 107 3.774 3.870 -0.096 1
1 1268 . 7 1 1 A 107 107 THR C C 107 176.238 175.992 0.246 1
1 1269 . 7 1 1 A 107 107 THR CA C 107 66.688 66.763 -0.075 1
1 1270 . 7 1 1 A 107 107 THR CB C 107 69.065 68.648 0.417 1
1 1272 . 7 1 1 A 107 107 THR N N 107 115.018 118.089 -3.071 1
1 1273 . 7 1 1 A 108 108 ALA H H 108 7.769 8.099 -0.330 1
1 1274 . 7 1 1 A 108 108 ALA HA H 108 4.094 4.033 0.061 1
1 1278 . 7 1 1 A 108 108 ALA C C 108 180.611 180.037 0.574 1
1 1279 . 7 1 1 A 108 108 ALA CA C 108 55.005 55.024 -0.019 1
1 1280 . 7 1 1 A 108 108 ALA CB C 108 18.015 18.227 -0.212 1
1 1281 . 7 1 1 A 108 108 ALA N N 108 123.150 123.738 -0.588 1
1 1282 . 7 1 1 A 109 109 LEU H H 109 8.795 8.221 0.574 1
1 1283 . 7 1 1 A 109 109 LEU HA H 109 4.045 4.136 -0.091 1
1 1293 . 7 1 1 A 109 109 LEU C C 109 178.758 178.897 -0.139 1
1 1294 . 7 1 1 A 109 109 LEU CA C 109 58.093 57.812 0.281 1
1 1295 . 7 1 1 A 109 109 LEU CB C 109 42.298 42.157 0.141 1
1 1299 . 7 1 1 A 109 109 LEU N N 109 118.714 120.350 -1.636 1
1 1300 . 7 1 1 A 110 110 MET H H 110 8.582 8.490 0.092 1
1 1301 . 7 1 1 A 110 110 MET HA H 110 4.404 4.007 0.397 1
1 1309 . 7 1 1 A 110 110 MET C C 110 180.290 178.962 1.328 1
1 1310 . 7 1 1 A 110 110 MET CA C 110 56.876 58.945 -2.069 1
1 1311 . 7 1 1 A 110 110 MET CB C 110 30.002 32.595 -2.593 1
1 1314 . 7 1 1 A 110 110 MET N N 110 117.122 116.690 0.432 1
1 1315 . 7 1 1 A 111 111 GLU H H 111 8.062 8.135 -0.073 1
1 1316 . 7 1 1 A 111 111 GLU HA H 111 4.126 4.017 0.109 1
1 1321 . 7 1 1 A 111 111 GLU C C 111 179.237 178.598 0.639 1
1 1322 . 7 1 1 A 111 111 GLU CA C 111 59.435 58.983 0.452 1
1 1323 . 7 1 1 A 111 111 GLU CB C 111 29.015 29.455 -0.440 1
1 1325 . 7 1 1 A 111 111 GLU N N 111 121.532 118.522 3.010 1
1 1326 . 7 1 1 A 112 112 ALA H H 112 7.975 7.969 0.006 1
1 1327 . 7 1 1 A 112 112 ALA HA H 112 4.265 4.047 0.218 1
1 1331 . 7 1 1 A 112 112 ALA C C 112 179.608 179.343 0.265 1
1 1332 . 7 1 1 A 112 112 ALA CA C 112 54.158 54.803 -0.645 1
1 1333 . 7 1 1 A 112 112 ALA CB C 112 19.530 18.621 0.909 1
1 1334 . 7 1 1 A 112 112 ALA N N 112 121.838 122.429 -0.591 1
1 1335 . 7 1 1 A 113 113 ASN H H 113 8.115 8.325 -0.210 1
1 1336 . 7 1 1 A 113 113 ASN HA H 113 4.822 4.211 0.611 1
1 1341 . 7 1 1 A 113 113 ASN C C 113 176.296 175.610 0.686 1
1 1342 . 7 1 1 A 113 113 ASN CA C 113 56.311 55.998 0.313 1
1 1343 . 7 1 1 A 113 113 ASN CB C 113 40.283 38.751 1.532 1
1 1344 . 7 1 1 A 113 113 ASN N N 113 115.563 117.257 -1.694 1
1 1346 . 7 1 1 A 114 114 SER H H 114 7.365 7.632 -0.267 1
1 1347 . 7 1 1 A 114 114 SER HA H 114 4.545 3.644 0.901 1
1 1350 . 7 1 1 A 114 114 SER C C 114 174.126 173.342 0.784 1
1 1351 . 7 1 1 A 114 114 SER CA C 114 58.464 56.845 1.619 1
1 1352 . 7 1 1 A 114 114 SER CB C 114 64.400 63.216 1.184 1
1 1353 . 7 1 1 A 114 114 SER N N 114 108.652 108.454 0.198 1
1 1354 . 7 1 1 A 115 115 THR H H 115 7.849 6.868 0.981 1
1 1355 . 7 1 1 A 115 115 THR HA H 115 4.599 4.846 -0.247 1
1 1360 . 7 1 1 A 115 115 THR C C 115 172.337 172.243 0.094 1
1 1361 . 7 1 1 A 115 115 THR CA C 115 60.817 59.070 1.747 1
1 1362 . 7 1 1 A 115 115 THR CB C 115 70.016 71.651 -1.635 1
1 1364 . 7 1 1 A 115 115 THR N N 115 118.885 115.363 3.522 1
1 1365 . 7 1 1 A 116 116 PRO HA H 116 4.404 4.719 -0.315 1
1 1372 . 7 1 1 A 116 116 PRO CA C 116 63.007 62.416 0.591 1
1 1373 . 7 1 1 A 116 116 PRO CB C 116 32.346 33.142 -0.796 1
1 1376 . 7 1 1 A 117 117 ALA H H 117 8.429 8.420 0.009 1
1 1377 . 7 1 1 A 117 117 ALA HA H 117 4.535 4.888 -0.353 1
1 1381 . 7 1 1 A 117 117 ALA CA C 117 50.359 49.977 0.382 1
1 1382 . 7 1 1 A 117 117 ALA CB C 117 18.069 21.863 -3.794 1
1 1383 . 7 1 1 A 117 117 ALA N N 117 125.693 121.643 4.050 1
1 1384 . 7 1 1 A 118 118 PRO HA H 118 4.377 4.505 -0.128 1
1 1391 . 7 1 1 A 118 118 PRO C C 118 176.656 175.384 1.272 1
1 1392 . 7 1 1 A 118 118 PRO CA C 118 63.105 64.022 -0.917 1
1 1393 . 7 1 1 A 118 118 PRO CB C 118 31.935 31.711 0.224 1
1 1396 . 7 1 1 A 119 119 ALA H H 119 8.430 7.439 0.991 1
1 1397 . 7 1 1 A 119 119 ALA HA H 119 4.255 4.924 -0.669 1
1 1401 . 7 1 1 A 119 119 ALA C C 119 178.416 175.813 2.603 1
1 1402 . 7 1 1 A 119 119 ALA CA C 119 52.744 50.715 2.029 1
1 1403 . 7 1 1 A 119 119 ALA CB C 119 19.186 23.242 -4.056 1
1 1404 . 7 1 1 A 119 119 ALA N N 119 124.565 119.548 5.017 1
1 1405 . 7 1 1 A 120 120 GLY H H 120 8.375 8.694 -0.319 1
1 1406 . 7 1 1 A 120 120 GLY HA2 H 120 3.934 4.277 -0.343 1
1 1407 . 7 1 1 A 120 120 GLY HA3 H 120 3.934 4.287 -0.353 1
1 1408 . 7 1 1 A 120 120 GLY C C 120 173.810 172.106 1.704 1
1 1409 . 7 1 1 A 120 120 GLY CA C 120 45.176 44.669 0.507 1
1 1410 . 7 1 1 A 120 120 GLY N N 120 108.353 107.062 1.291 1
1 1411 . 7 1 1 A 121 121 ALA H H 121 8.116 9.020 -0.904 1
1 1412 . 7 1 1 A 121 121 ALA HA H 121 4.379 5.251 -0.872 1
1 1416 . 7 1 1 A 121 121 ALA C C 121 177.908 175.951 1.957 1
1 1417 . 7 1 1 A 121 121 ALA CA C 121 52.446 51.075 1.371 1
1 1418 . 7 1 1 A 121 121 ALA CB C 121 19.433 24.225 -4.792 1
1 1419 . 7 1 1 A 121 121 ALA N N 121 123.561 125.792 -2.231 1
1 1420 . 7 1 1 A 122 122 THR H H 122 8.212 8.680 -0.468 1
1 1421 . 7 1 1 A 122 122 THR C C 122 174.317 172.504 1.813 1
1 1422 . 7 1 1 A 122 122 THR CA C 122 61.888 60.879 1.009 1
1 1423 . 7 1 1 A 122 122 THR CB C 122 69.648 71.707 -2.059 1
1 1425 . 7 1 1 A 122 122 THR N N 122 114.319 112.673 1.646 1
1 1426 . 7 1 1 A 123 123 VAL H H 123 8.222 8.818 -0.596 1
1 1427 . 7 1 1 A 123 123 VAL HA H 123 4.455 4.878 -0.423 1
1 1435 . 7 1 1 A 123 123 VAL C C 123 174.373 173.819 0.554 1
1 1436 . 7 1 1 A 123 123 VAL CA C 123 59.717 57.959 1.758 1
1 1437 . 7 1 1 A 123 123 VAL CB C 123 32.593 34.462 -1.869 1
1 1440 . 7 1 1 A 123 123 VAL N N 123 124.311 121.347 2.964 1
1 1441 . 7 1 1 A 124 124 PRO HA H 124 4.403 4.619 -0.216 1
1 1446 . 7 1 1 A 124 124 PRO C C 124 176.873 175.118 1.755 1
1 1447 . 7 1 1 A 124 124 PRO CA C 124 63.211 62.281 0.930 1
1 1448 . 7 1 1 A 124 124 PRO CB C 124 32.017 33.154 -1.137 1
1 1451 . 7 1 1 A 125 125 SER H H 125 8.426 8.409 0.017 1
1 1452 . 7 1 1 A 125 125 SER HA H 125 4.448 4.966 -0.518 1
1 1455 . 7 1 1 A 125 125 SER C C 125 174.598 174.366 0.232 1
1 1456 . 7 1 1 A 125 125 SER CA C 125 58.341 57.457 0.884 1
1 1457 . 7 1 1 A 125 125 SER CB C 125 64.054 67.434 -3.380 1
1 1458 . 7 1 1 A 125 125 SER N N 125 116.463 114.238 2.225 1
1 1459 . 7 1 1 A 126 126 GLY H H 126 8.233 8.791 -0.558 1
1 1460 . 7 1 1 A 126 126 GLY C C 126 171.756 174.984 -3.228 1
1 1461 . 7 1 1 A 126 126 GLY CA C 126 44.611 46.591 -1.980 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.445 4.776 -0.331 1
1 4 . 8 1 1 A 6 6 SER C C 6 174.707 175.119 -0.412 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.482 58.204 0.278 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.848 64.070 -0.222 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.494 8.948 -0.454 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 4.105 4.154 -0.049 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 4.105 4.180 -0.075 1
1 10 . 8 1 1 A 7 7 GLY C C 7 172.961 174.236 -1.275 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.864 45.358 0.506 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.325 112.182 -1.857 1
1 13 . 8 1 1 A 8 8 LEU H H 8 8.295 7.847 0.448 1
1 14 . 8 1 1 A 8 8 LEU HA H 8 4.268 4.662 -0.394 1
1 24 . 8 1 1 A 8 8 LEU C C 8 176.773 175.936 0.837 1
1 25 . 8 1 1 A 8 8 LEU CA C 8 55.587 54.272 1.315 1
1 26 . 8 1 1 A 8 8 LEU CB C 8 43.367 43.419 -0.052 1
1 30 . 8 1 1 A 8 8 LEU N N 8 123.800 122.968 0.832 1
1 31 . 8 1 1 A 9 9 VAL H H 9 9.290 9.130 0.160 1
1 32 . 8 1 1 A 9 9 VAL HA H 9 3.826 4.004 -0.178 1
1 40 . 8 1 1 A 9 9 VAL C C 9 176.540 175.799 0.741 1
1 41 . 8 1 1 A 9 9 VAL CA C 9 64.888 63.902 0.986 1
1 42 . 8 1 1 A 9 9 VAL CB C 9 32.264 32.258 0.006 1
1 45 . 8 1 1 A 9 9 VAL N N 9 129.415 126.123 3.292 1
1 46 . 8 1 1 A 10 10 ARG H H 10 7.135 7.333 -0.198 1
1 47 . 8 1 1 A 10 10 ARG HA H 10 4.126 4.566 -0.440 1
1 55 . 8 1 1 A 10 10 ARG C C 10 171.942 174.517 -2.575 1
1 56 . 8 1 1 A 10 10 ARG CA C 10 55.800 55.398 0.402 1
1 57 . 8 1 1 A 10 10 ARG CB C 10 32.223 33.712 -1.489 1
1 60 . 8 1 1 A 10 10 ARG N N 10 117.246 117.183 0.063 1
1 62 . 8 1 1 A 11 11 GLY H H 11 8.390 8.403 -0.013 1
1 63 . 8 1 1 A 11 11 GLY HA2 H 11 3.204 3.538 -0.334 1
1 64 . 8 1 1 A 11 11 GLY HA3 H 11 5.336 3.848 1.488 1
1 65 . 8 1 1 A 11 11 GLY C C 11 172.895 172.689 0.206 1
1 66 . 8 1 1 A 11 11 GLY CA C 11 43.481 44.520 -1.039 1
1 67 . 8 1 1 A 11 11 GLY N N 11 113.527 111.305 2.222 1
1 68 . 8 1 1 A 12 12 GLY H H 12 7.935 6.666 1.269 1
1 69 . 8 1 1 A 12 12 GLY C C 12 171.502 172.981 -1.479 1
1 70 . 8 1 1 A 12 12 GLY CA C 12 46.093 45.127 0.966 1
1 71 . 8 1 1 A 13 13 TRP H H 13 8.904 8.949 -0.045 1
1 72 . 8 1 1 A 13 13 TRP HA H 13 5.205 4.932 0.273 1
1 81 . 8 1 1 A 13 13 TRP C C 13 177.926 176.688 1.238 1
1 82 . 8 1 1 A 13 13 TRP CA C 13 57.846 58.602 -0.756 1
1 83 . 8 1 1 A 13 13 TRP CB C 13 30.290 30.708 -0.418 1
1 89 . 8 1 1 A 13 13 TRP N N 13 121.758 123.119 -1.361 1
1 91 . 8 1 1 A 14 14 LEU H H 14 9.295 8.759 0.536 1
1 92 . 8 1 1 A 14 14 LEU HA H 14 4.683 4.764 -0.081 1
1 102 . 8 1 1 A 14 14 LEU C C 14 175.828 176.005 -0.177 1
1 103 . 8 1 1 A 14 14 LEU CA C 14 54.670 53.621 1.049 1
1 104 . 8 1 1 A 14 14 LEU CB C 14 47.562 45.625 1.937 1
1 108 . 8 1 1 A 14 14 LEU N N 14 123.447 123.934 -0.487 1
1 109 . 8 1 1 A 15 15 TRP H H 15 8.655 8.941 -0.286 1
1 110 . 8 1 1 A 15 15 TRP HA H 15 5.315 5.136 0.179 1
1 119 . 8 1 1 A 15 15 TRP C C 15 175.899 175.968 -0.069 1
1 120 . 8 1 1 A 15 15 TRP CA C 15 57.159 58.038 -0.879 1
1 121 . 8 1 1 A 15 15 TRP CB C 15 30.759 29.632 1.127 1
1 127 . 8 1 1 A 15 15 TRP N N 15 119.571 124.624 -5.053 1
1 129 . 8 1 1 A 16 16 ARG H H 16 10.145 9.619 0.526 1
1 130 . 8 1 1 A 16 16 ARG HA H 16 5.495 5.360 0.135 1
1 138 . 8 1 1 A 16 16 ARG C C 16 174.930 175.753 -0.823 1
1 139 . 8 1 1 A 16 16 ARG CA C 16 54.334 54.230 0.104 1
1 140 . 8 1 1 A 16 16 ARG CB C 16 34.808 33.584 1.224 1
1 143 . 8 1 1 A 16 16 ARG N N 16 121.997 125.935 -3.938 1
1 145 . 8 1 1 A 17 17 GLN H H 17 8.233 8.730 -0.497 1
1 146 . 8 1 1 A 17 17 GLN HA H 17 3.797 4.140 -0.343 1
1 153 . 8 1 1 A 17 17 GLN C C 17 175.654 174.799 0.855 1
1 154 . 8 1 1 A 17 17 GLN CA C 17 55.446 54.958 0.488 1
1 155 . 8 1 1 A 17 17 GLN CB C 17 29.056 29.415 -0.359 1
1 157 . 8 1 1 A 17 17 GLN N N 17 128.414 127.885 0.529 1
1 159 . 8 1 1 A 18 18 SER H H 18 8.635 8.343 0.292 1
1 160 . 8 1 1 A 18 18 SER HA H 18 4.575 4.715 -0.140 1
1 163 . 8 1 1 A 18 18 SER C C 18 175.585 174.821 0.764 1
1 164 . 8 1 1 A 18 18 SER CA C 18 57.246 57.008 0.238 1
1 165 . 8 1 1 A 18 18 SER CB C 18 64.012 66.622 -2.610 1
1 166 . 8 1 1 A 18 18 SER N N 18 122.600 119.542 3.058 1
1 167 . 8 1 1 A 20 20 ILE H H 20 7.976 7.804 0.172 1
1 168 . 8 1 1 A 20 20 ILE HA H 20 4.036 3.932 0.104 1
1 178 . 8 1 1 A 20 20 ILE C C 20 176.929 177.813 -0.884 1
1 179 . 8 1 1 A 20 20 ILE CA C 20 62.929 63.493 -0.564 1
1 180 . 8 1 1 A 20 20 ILE CB C 20 37.912 38.057 -0.145 1
1 184 . 8 1 1 A 20 20 ILE N N 20 120.700 121.060 -0.360 1
1 185 . 8 1 1 A 21 21 LEU H H 21 8.089 7.826 0.263 1
1 186 . 8 1 1 A 21 21 LEU HA H 21 4.159 4.253 -0.094 1
1 196 . 8 1 1 A 21 21 LEU C C 21 176.455 176.040 0.415 1
1 197 . 8 1 1 A 21 21 LEU CA C 21 55.287 55.100 0.187 1
1 198 . 8 1 1 A 21 21 LEU CB C 21 42.051 42.179 -0.128 1
1 202 . 8 1 1 A 21 21 LEU N N 21 119.540 119.498 0.042 1
1 203 . 8 1 1 A 22 22 ARG H H 22 7.687 7.738 -0.051 1
1 204 . 8 1 1 A 22 22 ARG HA H 22 3.806 3.791 0.015 1
1 211 . 8 1 1 A 22 22 ARG C C 22 175.087 174.432 0.655 1
1 212 . 8 1 1 A 22 22 ARG CA C 22 56.788 57.060 -0.272 1
1 213 . 8 1 1 A 22 22 ARG CB C 22 27.130 27.163 -0.033 1
1 216 . 8 1 1 A 22 22 ARG N N 22 114.383 116.954 -2.571 1
1 217 . 8 1 1 A 23 23 ARG H H 23 7.392 7.599 -0.207 1
1 218 . 8 1 1 A 23 23 ARG HA H 23 4.603 4.805 -0.202 1
1 225 . 8 1 1 A 23 23 ARG C C 23 176.112 174.180 1.932 1
1 226 . 8 1 1 A 23 23 ARG CA C 23 54.846 54.619 0.227 1
1 227 . 8 1 1 A 23 23 ARG CB C 23 32.387 33.877 -1.490 1
1 230 . 8 1 1 A 23 23 ARG N N 23 115.846 117.676 -1.830 1
1 231 . 8 1 1 A 24 24 TRP H H 24 9.013 8.768 0.245 1
1 232 . 8 1 1 A 24 24 TRP HA H 24 5.154 5.174 -0.020 1
1 241 . 8 1 1 A 24 24 TRP C C 24 176.347 176.571 -0.224 1
1 242 . 8 1 1 A 24 24 TRP CA C 24 57.546 57.893 -0.347 1
1 243 . 8 1 1 A 24 24 TRP CB C 24 31.112 30.863 0.249 1
1 249 . 8 1 1 A 24 24 TRP N N 24 123.861 125.090 -1.229 1
1 251 . 8 1 1 A 25 25 LYS H H 25 9.553 9.881 -0.328 1
1 252 . 8 1 1 A 25 25 LYS HA H 25 4.992 5.447 -0.455 1
1 261 . 8 1 1 A 25 25 LYS C C 25 173.887 175.383 -1.496 1
1 262 . 8 1 1 A 25 25 LYS CA C 25 55.023 54.768 0.255 1
1 263 . 8 1 1 A 25 25 LYS CB C 25 35.965 36.439 -0.474 1
1 267 . 8 1 1 A 25 25 LYS N N 25 123.241 120.157 3.084 1
1 268 . 8 1 1 A 26 26 ARG H H 26 8.705 8.735 -0.030 1
1 269 . 8 1 1 A 26 26 ARG HA H 26 4.494 4.381 0.113 1
1 276 . 8 1 1 A 26 26 ARG C C 26 175.755 176.557 -0.802 1
1 277 . 8 1 1 A 26 26 ARG CA C 26 56.046 56.189 -0.143 1
1 278 . 8 1 1 A 26 26 ARG CB C 26 30.783 30.605 0.178 1
1 281 . 8 1 1 A 26 26 ARG N N 26 124.843 122.688 2.155 1
1 282 . 8 1 1 A 27 27 ASN H H 27 9.100 8.591 0.509 1
1 283 . 8 1 1 A 27 27 ASN HA H 27 5.235 5.415 -0.180 1
1 288 . 8 1 1 A 27 27 ASN CA C 27 54.041 52.039 2.002 1
1 289 . 8 1 1 A 27 27 ASN CB C 27 46.737 42.911 3.826 1
1 290 . 8 1 1 A 27 27 ASN N N 27 123.044 122.086 0.958 1
1 292 . 8 1 1 A 28 28 TRP H H 28 7.835 8.331 -0.496 1
1 293 . 8 1 1 A 28 28 TRP HA H 28 4.105 4.652 -0.547 1
1 299 . 8 1 1 A 28 28 TRP N N 28 122.540 126.032 -3.492 1
1 300 . 8 1 1 A 29 29 PHE H H 29 8.755 8.979 -0.224 1
1 301 . 8 1 1 A 29 29 PHE HA H 29 5.001 4.896 0.105 1
1 309 . 8 1 1 A 29 29 PHE CA C 29 56.692 56.947 -0.255 1
1 310 . 8 1 1 A 29 29 PHE CB C 29 42.284 40.480 1.804 1
1 316 . 8 1 1 A 29 29 PHE N N 29 129.716 126.369 3.347 1
1 317 . 8 1 1 A 30 30 ALA H H 30 8.695 8.492 0.203 1
1 321 . 8 1 1 A 30 30 ALA C C 30 173.958 174.717 -0.759 1
1 322 . 8 1 1 A 30 30 ALA CA C 30 50.611 50.607 0.004 1
1 323 . 8 1 1 A 30 30 ALA CB C 30 22.570 22.240 0.330 1
1 324 . 8 1 1 A 31 31 LEU H H 31 8.815 8.097 0.718 1
1 325 . 8 1 1 A 31 31 LEU HA H 31 5.003 4.719 0.284 1
1 335 . 8 1 1 A 31 31 LEU C C 31 174.414 174.382 0.032 1
1 336 . 8 1 1 A 31 31 LEU CA C 31 53.240 53.692 -0.452 1
1 337 . 8 1 1 A 31 31 LEU CB C 31 44.783 44.599 0.184 1
1 341 . 8 1 1 A 31 31 LEU N N 31 124.610 124.717 -0.107 1
1 342 . 8 1 1 A 32 32 TRP H H 32 9.045 8.823 0.222 1
1 343 . 8 1 1 A 32 32 TRP HA H 32 5.499 5.424 0.075 1
1 352 . 8 1 1 A 32 32 TRP C C 32 178.871 177.282 1.589 1
1 353 . 8 1 1 A 32 32 TRP CA C 32 55.552 56.404 -0.852 1
1 354 . 8 1 1 A 32 32 TRP CB C 32 32.346 31.968 0.378 1
1 360 . 8 1 1 A 32 32 TRP N N 32 128.500 127.302 1.198 1
1 362 . 8 1 1 A 33 33 LEU H H 33 9.246 9.157 0.089 1
1 363 . 8 1 1 A 33 33 LEU HA H 33 4.075 4.041 0.034 1
1 373 . 8 1 1 A 33 33 LEU C C 33 176.859 178.407 -1.548 1
1 374 . 8 1 1 A 33 33 LEU CA C 33 57.035 57.848 -0.813 1
1 375 . 8 1 1 A 33 33 LEU CB C 33 42.651 41.434 1.217 1
1 379 . 8 1 1 A 33 33 LEU N N 33 123.838 125.848 -2.010 1
1 380 . 8 1 1 A 34 34 ASP H H 34 7.536 7.961 -0.425 1
1 381 . 8 1 1 A 34 34 ASP HA H 34 4.395 4.578 -0.183 1
1 384 . 8 1 1 A 34 34 ASP C C 34 177.113 176.639 0.474 1
1 385 . 8 1 1 A 34 34 ASP CA C 34 53.805 54.570 -0.765 1
1 386 . 8 1 1 A 34 34 ASP CB C 34 39.625 41.009 -1.384 1
1 387 . 8 1 1 A 34 34 ASP N N 34 115.948 116.189 -0.241 1
1 388 . 8 1 1 A 35 35 GLY H H 35 8.264 8.560 -0.296 1
1 389 . 8 1 1 A 35 35 GLY HA2 H 35 4.205 4.085 0.120 1
1 390 . 8 1 1 A 35 35 GLY HA3 H 35 3.895 4.117 -0.222 1
1 391 . 8 1 1 A 35 35 GLY C C 35 173.898 173.903 -0.005 1
1 392 . 8 1 1 A 35 35 GLY CA C 35 46.216 45.994 0.222 1
1 393 . 8 1 1 A 35 35 GLY N N 35 106.508 107.311 -0.803 1
1 394 . 8 1 1 A 36 36 THR H H 36 8.035 7.742 0.293 1
1 395 . 8 1 1 A 36 36 THR HA H 36 5.123 5.114 0.009 1
1 400 . 8 1 1 A 36 36 THR C C 36 170.669 173.214 -2.545 1
1 401 . 8 1 1 A 36 36 THR CA C 36 60.588 59.412 1.176 1
1 402 . 8 1 1 A 36 36 THR CB C 36 72.314 72.768 -0.454 1
1 404 . 8 1 1 A 36 36 THR N N 36 112.047 110.204 1.843 1
1 405 . 8 1 1 A 37 37 LEU H H 37 9.344 9.316 0.028 1
1 406 . 8 1 1 A 37 37 LEU HA H 37 5.616 5.177 0.439 1
1 416 . 8 1 1 A 37 37 LEU C C 37 175.787 175.037 0.750 1
1 417 . 8 1 1 A 37 37 LEU CA C 37 52.799 53.766 -0.967 1
1 418 . 8 1 1 A 37 37 LEU CB C 37 46.698 44.961 1.737 1
1 422 . 8 1 1 A 37 37 LEU N N 37 122.915 123.788 -0.873 1
1 423 . 8 1 1 A 38 38 GLY H H 38 9.685 8.748 0.937 1
1 424 . 8 1 1 A 38 38 GLY HA2 H 38 5.074 4.147 0.927 1
1 425 . 8 1 1 A 38 38 GLY HA3 H 38 3.825 4.350 -0.525 1
1 426 . 8 1 1 A 38 38 GLY C C 38 172.258 172.333 -0.075 1
1 427 . 8 1 1 A 38 38 GLY CA C 38 43.676 44.091 -0.415 1
1 428 . 8 1 1 A 38 38 GLY N N 38 113.092 113.675 -0.583 1
1 429 . 8 1 1 A 39 39 TYR H H 39 7.362 8.101 -0.739 1
1 430 . 8 1 1 A 39 39 TYR HA H 39 5.251 5.463 -0.212 1
1 437 . 8 1 1 A 39 39 TYR C C 39 175.367 174.028 1.339 1
1 438 . 8 1 1 A 39 39 TYR CA C 39 54.282 55.326 -1.044 1
1 439 . 8 1 1 A 39 39 TYR CB C 39 37.774 40.069 -2.295 1
1 444 . 8 1 1 A 39 39 TYR N N 39 113.951 118.684 -4.733 1
1 445 . 8 1 1 A 40 40 TYR H H 40 9.315 8.827 0.488 1
1 446 . 8 1 1 A 40 40 TYR HA H 40 5.305 4.852 0.453 1
1 453 . 8 1 1 A 40 40 TYR C C 40 177.694 177.284 0.410 1
1 454 . 8 1 1 A 40 40 TYR CA C 40 57.185 57.663 -0.478 1
1 455 . 8 1 1 A 40 40 TYR CB C 40 43.779 40.643 3.136 1
1 460 . 8 1 1 A 40 40 TYR N N 40 117.930 123.319 -5.389 1
1 461 . 8 1 1 A 41 41 HIS H H 41 8.658 9.137 -0.479 1
1 462 . 8 1 1 A 41 41 HIS HA H 41 4.654 4.423 0.231 1
1 467 . 8 1 1 A 41 41 HIS C C 41 174.858 174.926 -0.068 1
1 468 . 8 1 1 A 41 41 HIS CA C 41 59.159 58.982 0.177 1
1 469 . 8 1 1 A 41 41 HIS CB C 41 31.094 29.849 1.245 1
1 472 . 8 1 1 A 41 41 HIS N N 41 121.927 120.065 1.862 1
1 473 . 8 1 1 A 42 42 ASP H H 42 8.095 7.554 0.541 1
1 474 . 8 1 1 A 42 42 ASP HA H 42 4.795 4.598 0.197 1
1 477 . 8 1 1 A 42 42 ASP C C 42 175.052 176.001 -0.949 1
1 478 . 8 1 1 A 42 42 ASP CA C 42 53.155 52.405 0.750 1
1 479 . 8 1 1 A 42 42 ASP CB C 42 41.860 42.492 -0.632 1
1 480 . 8 1 1 A 42 42 ASP N N 42 112.020 115.717 -3.697 1
1 481 . 8 1 1 A 43 43 GLU H H 43 8.899 8.697 0.202 1
1 482 . 8 1 1 A 43 43 GLU C C 43 176.336 177.063 -0.727 1
1 483 . 8 1 1 A 43 43 GLU CA C 43 57.021 59.499 -2.478 1
1 484 . 8 1 1 A 43 43 GLU CB C 43 27.493 29.055 -1.562 1
1 485 . 8 1 1 A 43 43 GLU N N 43 116.402 119.516 -3.114 1
1 486 . 8 1 1 A 44 44 THR H H 44 8.093 7.599 0.494 1
1 487 . 8 1 1 A 44 44 THR HA H 44 3.915 4.189 -0.274 1
1 492 . 8 1 1 A 44 44 THR CA C 44 63.143 61.625 1.518 1
1 493 . 8 1 1 A 44 44 THR CB C 44 69.620 68.172 1.448 1
1 495 . 8 1 1 A 44 44 THR N N 44 111.376 110.907 0.469 1
1 496 . 8 1 1 A 45 45 ALA H H 45 7.815 8.126 -0.311 1
1 497 . 8 1 1 A 45 45 ALA HA H 45 3.430 3.771 -0.341 1
1 501 . 8 1 1 A 45 45 ALA C C 45 175.091 176.308 -1.217 1
1 502 . 8 1 1 A 45 45 ALA CA C 45 53.434 51.998 1.436 1
1 503 . 8 1 1 A 45 45 ALA CB C 45 15.567 17.854 -2.287 1
1 504 . 8 1 1 A 46 46 GLN H H 46 7.869 8.635 -0.766 1
1 505 . 8 1 1 A 46 46 GLN HA H 46 4.238 4.685 -0.447 1
1 512 . 8 1 1 A 46 46 GLN C C 46 176.190 175.855 0.335 1
1 513 . 8 1 1 A 46 46 GLN CA C 46 56.929 56.540 0.389 1
1 514 . 8 1 1 A 46 46 GLN CB C 46 30.454 31.671 -1.217 1
1 516 . 8 1 1 A 46 46 GLN N N 46 115.953 123.175 -7.222 1
1 518 . 8 1 1 A 47 47 ASP H H 47 8.326 8.065 0.261 1
1 519 . 8 1 1 A 47 47 ASP HA H 47 4.954 4.751 0.203 1
1 522 . 8 1 1 A 47 47 ASP C C 47 173.846 174.749 -0.903 1
1 523 . 8 1 1 A 47 47 ASP CA C 47 52.993 52.883 0.110 1
1 524 . 8 1 1 A 47 47 ASP CB C 47 41.558 40.278 1.280 1
1 525 . 8 1 1 A 47 47 ASP N N 47 119.830 119.962 -0.132 1
1 526 . 8 1 1 A 48 48 GLU H H 48 8.756 8.715 0.041 1
1 527 . 8 1 1 A 48 48 GLU HA H 48 3.785 3.742 0.043 1
1 532 . 8 1 1 A 48 48 GLU C C 48 175.892 176.506 -0.614 1
1 533 . 8 1 1 A 48 48 GLU CA C 48 56.470 55.804 0.666 1
1 534 . 8 1 1 A 48 48 GLU CB C 48 32.264 29.667 2.597 1
1 536 . 8 1 1 A 48 48 GLU N N 48 125.923 127.840 -1.917 1
1 537 . 8 1 1 A 49 49 GLU H H 49 8.945 8.289 0.656 1
1 538 . 8 1 1 A 49 49 GLU HA H 49 4.164 4.050 0.114 1
1 543 . 8 1 1 A 49 49 GLU C C 49 176.040 176.039 0.001 1
1 544 . 8 1 1 A 49 49 GLU CA C 49 58.447 58.664 -0.217 1
1 545 . 8 1 1 A 49 49 GLU CB C 49 30.207 30.328 -0.121 1
1 547 . 8 1 1 A 49 49 GLU N N 49 129.751 126.997 2.754 1
1 548 . 8 1 1 A 50 50 ASP H H 50 6.736 7.200 -0.464 1
1 549 . 8 1 1 A 50 50 ASP HA H 50 4.355 4.841 -0.486 1
1 552 . 8 1 1 A 50 50 ASP C C 50 172.562 173.607 -1.045 1
1 553 . 8 1 1 A 50 50 ASP CA C 50 52.729 53.316 -0.587 1
1 554 . 8 1 1 A 50 50 ASP CB C 50 43.737 44.374 -0.637 1
1 555 . 8 1 1 A 50 50 ASP N N 50 113.574 116.108 -2.534 1
1 556 . 8 1 1 A 51 51 ARG H H 51 8.532 8.571 -0.039 1
1 557 . 8 1 1 A 51 51 ARG HA H 51 5.005 4.979 0.026 1
1 565 . 8 1 1 A 51 51 ARG C C 51 174.656 174.536 0.120 1
1 566 . 8 1 1 A 51 51 ARG CA C 51 55.605 55.389 0.216 1
1 567 . 8 1 1 A 51 51 ARG CB C 51 33.520 33.896 -0.376 1
1 570 . 8 1 1 A 51 51 ARG N N 51 117.888 122.145 -4.257 1
1 572 . 8 1 1 A 52 52 VAL H H 52 9.155 9.430 -0.275 1
1 573 . 8 1 1 A 52 52 VAL HA H 52 4.616 4.952 -0.336 1
1 581 . 8 1 1 A 52 52 VAL C C 52 174.710 175.378 -0.668 1
1 582 . 8 1 1 A 52 52 VAL CA C 52 59.382 60.452 -1.070 1
1 583 . 8 1 1 A 52 52 VAL CB C 52 35.266 34.423 0.843 1
1 586 . 8 1 1 A 52 52 VAL N N 52 121.629 122.400 -0.771 1
1 587 . 8 1 1 A 53 53 VAL H H 53 8.956 9.050 -0.094 1
1 588 . 8 1 1 A 53 53 VAL HA H 53 3.745 4.131 -0.386 1
1 596 . 8 1 1 A 53 53 VAL C C 53 174.610 175.635 -1.025 1
1 597 . 8 1 1 A 53 53 VAL CA C 53 64.676 63.505 1.171 1
1 598 . 8 1 1 A 53 53 VAL CB C 53 32.305 32.148 0.157 1
1 601 . 8 1 1 A 53 53 VAL N N 53 125.547 125.956 -0.409 1
1 602 . 8 1 1 A 54 54 ILE H H 54 8.705 9.045 -0.340 1
1 603 . 8 1 1 A 54 54 ILE HA H 54 4.324 4.265 0.059 1
1 613 . 8 1 1 A 54 54 ILE C C 54 176.747 176.340 0.407 1
1 614 . 8 1 1 A 54 54 ILE CA C 54 58.623 63.109 -4.486 1
1 615 . 8 1 1 A 54 54 ILE CB C 54 36.787 39.512 -2.725 1
1 619 . 8 1 1 A 54 54 ILE N N 54 126.147 126.472 -0.325 1
1 620 . 8 1 1 A 55 55 HIS H H 55 7.913 7.669 0.244 1
1 621 . 8 1 1 A 55 55 HIS HA H 55 4.626 4.259 0.367 1
1 626 . 8 1 1 A 55 55 HIS C C 55 174.365 175.765 -1.400 1
1 627 . 8 1 1 A 55 55 HIS CA C 55 57.917 57.080 0.837 1
1 628 . 8 1 1 A 55 55 HIS CB C 55 29.796 29.772 0.024 1
1 631 . 8 1 1 A 55 55 HIS N N 55 119.790 123.019 -3.229 1
1 632 . 8 1 1 A 56 56 PHE H H 56 9.382 8.417 0.965 1
1 633 . 8 1 1 A 56 56 PHE HA H 56 4.225 4.321 -0.096 1
1 641 . 8 1 1 A 56 56 PHE C C 56 175.781 175.021 0.760 1
1 642 . 8 1 1 A 56 56 PHE CA C 56 57.593 58.443 -0.850 1
1 643 . 8 1 1 A 56 56 PHE CB C 56 36.664 36.009 0.655 1
1 649 . 8 1 1 A 56 56 PHE N N 56 124.614 122.470 2.144 1
1 650 . 8 1 1 A 57 57 ASN H H 57 8.755 8.327 0.428 1
1 651 . 8 1 1 A 57 57 ASN HA H 57 5.319 5.032 0.287 1
1 656 . 8 1 1 A 57 57 ASN C C 57 175.317 174.736 0.581 1
1 657 . 8 1 1 A 57 57 ASN CA C 57 52.129 52.381 -0.252 1
1 658 . 8 1 1 A 57 57 ASN CB C 57 41.640 39.117 2.523 1
1 659 . 8 1 1 A 57 57 ASN N N 57 114.893 117.200 -2.307 1
1 661 . 8 1 1 A 58 58 VAL H H 58 8.606 7.667 0.939 1
1 662 . 8 1 1 A 58 58 VAL HA H 58 4.138 4.456 -0.318 1
1 670 . 8 1 1 A 58 58 VAL C C 58 175.486 175.774 -0.288 1
1 671 . 8 1 1 A 58 58 VAL CA C 58 63.035 62.116 0.919 1
1 672 . 8 1 1 A 58 58 VAL CB C 58 32.733 32.731 0.002 1
1 675 . 8 1 1 A 58 58 VAL N N 58 121.476 120.155 1.321 1
1 676 . 8 1 1 A 59 59 ARG H H 59 9.233 9.137 0.096 1
1 677 . 8 1 1 A 59 59 ARG HA H 59 4.184 4.322 -0.138 1
1 684 . 8 1 1 A 59 59 ARG C C 59 175.572 175.421 0.151 1
1 685 . 8 1 1 A 59 59 ARG CA C 59 58.093 57.443 0.650 1
1 686 . 8 1 1 A 59 59 ARG CB C 59 31.236 31.462 -0.226 1
1 689 . 8 1 1 A 59 59 ARG N N 59 128.965 129.191 -0.226 1
1 690 . 8 1 1 A 60 60 ASP H H 60 7.745 7.859 -0.114 1
1 691 . 8 1 1 A 60 60 ASP HA H 60 4.485 5.093 -0.608 1
1 694 . 8 1 1 A 60 60 ASP C C 60 173.047 174.302 -1.255 1
1 695 . 8 1 1 A 60 60 ASP CA C 60 53.911 53.273 0.638 1
1 696 . 8 1 1 A 60 60 ASP CB C 60 42.874 45.007 -2.133 1
1 697 . 8 1 1 A 60 60 ASP N N 60 113.170 116.234 -3.064 1
1 698 . 8 1 1 A 61 61 ILE H H 61 8.398 8.556 -0.158 1
1 699 . 8 1 1 A 61 61 ILE HA H 61 5.055 4.877 0.178 1
1 709 . 8 1 1 A 61 61 ILE C C 61 174.897 174.409 0.488 1
1 710 . 8 1 1 A 61 61 ILE CA C 61 60.511 60.948 -0.437 1
1 711 . 8 1 1 A 61 61 ILE CB C 61 41.558 40.930 0.628 1
1 715 . 8 1 1 A 61 61 ILE N N 61 118.375 120.615 -2.240 1
1 716 . 8 1 1 A 62 62 LYS H H 62 8.619 8.410 0.209 1
1 717 . 8 1 1 A 62 62 LYS HA H 62 4.711 5.343 -0.632 1
1 726 . 8 1 1 A 62 62 LYS C C 62 174.636 175.781 -1.145 1
1 727 . 8 1 1 A 62 62 LYS CA C 62 53.947 54.985 -1.038 1
1 728 . 8 1 1 A 62 62 LYS CB C 62 35.677 35.266 0.411 1
1 732 . 8 1 1 A 62 62 LYS N N 62 128.701 127.225 1.476 1
1 733 . 8 1 1 A 63 63 VAL H H 63 8.946 8.388 0.558 1
1 734 . 8 1 1 A 63 63 VAL HA H 63 5.073 4.509 0.564 1
1 742 . 8 1 1 A 63 63 VAL C C 63 177.772 176.197 1.575 1
1 743 . 8 1 1 A 63 63 VAL CA C 63 59.734 60.964 -1.230 1
1 744 . 8 1 1 A 63 63 VAL CB C 63 36.210 34.556 1.654 1
1 747 . 8 1 1 A 63 63 VAL N N 63 120.053 122.628 -2.575 1
1 748 . 8 1 1 A 64 64 GLY H H 64 9.804 8.706 1.098 1
1 749 . 8 1 1 A 64 64 GLY HA2 H 64 4.415 3.896 0.519 1
1 750 . 8 1 1 A 64 64 GLY HA3 H 64 3.906 3.898 0.008 1
1 751 . 8 1 1 A 64 64 GLY C C 64 176.864 175.597 1.267 1
1 752 . 8 1 1 A 64 64 GLY CA C 64 47.063 47.266 -0.203 1
1 753 . 8 1 1 A 64 64 GLY N N 64 118.354 115.065 3.289 1
1 754 . 8 1 1 A 65 65 GLN H H 65 9.045 8.840 0.205 1
1 755 . 8 1 1 A 65 65 GLN HA H 65 3.944 4.030 -0.086 1
1 762 . 8 1 1 A 65 65 GLN C C 65 176.698 178.568 -1.870 1
1 763 . 8 1 1 A 65 65 GLN CA C 65 57.793 59.075 -1.282 1
1 764 . 8 1 1 A 65 65 GLN CB C 65 27.822 28.269 -0.447 1
1 766 . 8 1 1 A 65 65 GLN N N 65 124.600 126.084 -1.484 1
1 768 . 8 1 1 A 66 66 GLU H H 66 7.886 8.139 -0.253 1
1 769 . 8 1 1 A 66 66 GLU HA H 66 4.145 4.032 0.113 1
1 774 . 8 1 1 A 66 66 GLU C C 66 178.049 177.511 0.538 1
1 775 . 8 1 1 A 66 66 GLU CA C 66 57.564 59.506 -1.942 1
1 776 . 8 1 1 A 66 66 GLU CB C 66 31.236 29.296 1.940 1
1 778 . 8 1 1 A 66 66 GLU N N 66 116.486 119.198 -2.712 1
1 779 . 8 1 1 A 67 67 CYS H H 67 8.015 7.381 0.634 1
1 780 . 8 1 1 A 67 67 CYS HA H 67 4.331 4.353 -0.022 1
1 783 . 8 1 1 A 67 67 CYS C C 67 175.278 174.715 0.563 1
1 784 . 8 1 1 A 67 67 CYS CA C 67 58.817 59.485 -0.668 1
1 785 . 8 1 1 A 67 67 CYS CB C 67 26.342 28.239 -1.897 1
1 786 . 8 1 1 A 67 67 CYS N N 67 119.526 118.293 1.233 1
1 787 . 8 1 1 A 68 68 GLN H H 68 7.983 8.574 -0.591 1
1 788 . 8 1 1 A 68 68 GLN HA H 68 4.199 4.727 -0.528 1
1 795 . 8 1 1 A 68 68 GLN C C 68 175.866 174.844 1.022 1
1 796 . 8 1 1 A 68 68 GLN CA C 68 56.399 54.462 1.937 1
1 797 . 8 1 1 A 68 68 GLN CB C 68 29.837 31.982 -2.145 1
1 799 . 8 1 1 A 68 68 GLN N N 68 120.826 124.966 -4.140 1
1 801 . 8 1 1 A 69 69 ASP H H 69 8.755 8.772 -0.017 1
1 802 . 8 1 1 A 69 69 ASP HA H 69 4.395 4.168 0.227 1
1 805 . 8 1 1 A 69 69 ASP C C 69 174.652 174.674 -0.022 1
1 806 . 8 1 1 A 69 69 ASP CA C 69 54.546 55.304 -0.758 1
1 807 . 8 1 1 A 69 69 ASP CB C 69 39.954 39.653 0.301 1
1 808 . 8 1 1 A 69 69 ASP N N 69 117.691 117.884 -0.193 1
1 809 . 8 1 1 A 70 70 VAL H H 70 7.245 7.454 -0.209 1
1 810 . 8 1 1 A 70 70 VAL HA H 70 4.173 4.778 -0.605 1
1 818 . 8 1 1 A 70 70 VAL C C 70 173.502 173.649 -0.147 1
1 819 . 8 1 1 A 70 70 VAL CA C 70 60.502 61.200 -0.698 1
1 820 . 8 1 1 A 70 70 VAL CB C 70 34.397 35.262 -0.865 1
1 823 . 8 1 1 A 70 70 VAL N N 70 116.632 117.630 -0.998 1
1 824 . 8 1 1 A 71 71 GLN H H 71 8.513 8.956 -0.443 1
1 825 . 8 1 1 A 71 71 GLN HA H 71 4.758 5.063 -0.305 1
1 832 . 8 1 1 A 71 71 GLN C C 71 173.404 174.428 -1.024 1
1 833 . 8 1 1 A 71 71 GLN CA C 71 52.093 52.865 -0.772 1
1 834 . 8 1 1 A 71 71 GLN CB C 71 29.467 31.828 -2.361 1
1 836 . 8 1 1 A 71 71 GLN N N 71 125.361 128.408 -3.047 1
1 838 . 8 1 1 A 72 72 PRO HA H 72 3.955 4.433 -0.478 1
1 845 . 8 1 1 A 72 72 PRO CA C 72 61.219 61.565 -0.346 1
1 846 . 8 1 1 A 72 72 PRO CB C 72 30.548 31.570 -1.022 1
1 849 . 8 1 1 A 73 73 PRO HA H 73 3.584 4.385 -0.801 1
1 856 . 8 1 1 A 73 73 PRO C C 73 175.005 176.186 -1.181 1
1 857 . 8 1 1 A 73 73 PRO CA C 73 61.764 61.915 -0.151 1
1 858 . 8 1 1 A 73 73 PRO CB C 73 30.080 32.115 -2.035 1
1 861 . 8 1 1 A 74 74 GLU H H 74 8.066 8.447 -0.381 1
1 862 . 8 1 1 A 74 74 GLU HA H 74 3.766 3.879 -0.113 1
1 867 . 8 1 1 A 74 74 GLU C C 74 177.415 177.222 0.193 1
1 868 . 8 1 1 A 74 74 GLU CA C 74 58.005 57.992 0.013 1
1 869 . 8 1 1 A 74 74 GLU CB C 74 29.340 29.429 -0.089 1
1 871 . 8 1 1 A 74 74 GLU N N 74 120.425 121.819 -1.394 1
1 872 . 8 1 1 A 75 75 GLY H H 75 8.576 8.951 -0.375 1
1 873 . 8 1 1 A 75 75 GLY HA2 H 75 4.024 3.934 0.090 1
1 874 . 8 1 1 A 75 75 GLY HA3 H 75 3.568 3.946 -0.378 1
1 875 . 8 1 1 A 75 75 GLY C C 75 174.093 174.490 -0.397 1
1 876 . 8 1 1 A 75 75 GLY CA C 75 45.299 45.359 -0.060 1
1 877 . 8 1 1 A 75 75 GLY N N 75 112.779 115.093 -2.314 1
1 878 . 8 1 1 A 76 76 ARG H H 76 7.791 7.492 0.299 1
1 879 . 8 1 1 A 76 76 ARG HA H 76 4.444 4.297 0.147 1
1 887 . 8 1 1 A 76 76 ARG C C 76 175.188 174.901 0.287 1
1 888 . 8 1 1 A 76 76 ARG CA C 76 54.617 56.311 -1.694 1
1 889 . 8 1 1 A 76 76 ARG CB C 76 31.030 31.656 -0.626 1
1 892 . 8 1 1 A 76 76 ARG N N 76 121.088 121.451 -0.363 1
1 894 . 8 1 1 A 77 77 SER H H 77 8.235 8.613 -0.378 1
1 895 . 8 1 1 A 77 77 SER HA H 77 4.405 4.732 -0.327 1
1 898 . 8 1 1 A 77 77 SER C C 77 176.069 174.658 1.411 1
1 899 . 8 1 1 A 77 77 SER CA C 77 56.805 57.132 -0.327 1
1 900 . 8 1 1 A 77 77 SER CB C 77 64.136 66.291 -2.155 1
1 901 . 8 1 1 A 77 77 SER N N 77 113.991 116.211 -2.220 1
1 902 . 8 1 1 A 78 78 ARG H H 78 8.745 9.054 -0.309 1
1 903 . 8 1 1 A 78 78 ARG HA H 78 3.774 3.913 -0.139 1
1 909 . 8 1 1 A 78 78 ARG C C 78 176.758 177.766 -1.008 1
1 910 . 8 1 1 A 78 78 ARG CA C 78 58.341 60.154 -1.813 1
1 911 . 8 1 1 A 78 78 ARG CB C 78 30.043 30.262 -0.219 1
1 914 . 8 1 1 A 78 78 ARG N N 78 122.262 124.840 -2.578 1
1 915 . 8 1 1 A 79 79 ASP H H 79 8.106 8.656 -0.550 1
1 916 . 8 1 1 A 79 79 ASP HA H 79 4.175 4.385 -0.210 1
1 919 . 8 1 1 A 79 79 ASP C C 79 175.579 178.831 -3.252 1
1 920 . 8 1 1 A 79 79 ASP CA C 79 57.159 56.694 0.465 1
1 921 . 8 1 1 A 79 79 ASP CB C 79 40.900 40.194 0.706 1
1 922 . 8 1 1 A 79 79 ASP N N 79 115.963 119.172 -3.209 1
1 923 . 8 1 1 A 80 80 GLY H H 80 7.305 8.124 -0.819 1
1 924 . 8 1 1 A 80 80 GLY HA2 H 80 4.047 3.724 0.323 1
1 925 . 8 1 1 A 80 80 GLY HA3 H 80 3.387 3.743 -0.356 1
1 926 . 8 1 1 A 80 80 GLY C C 80 174.263 175.174 -0.911 1
1 927 . 8 1 1 A 80 80 GLY CA C 80 44.276 47.369 -3.093 1
1 928 . 8 1 1 A 80 80 GLY N N 80 101.592 108.063 -6.471 1
1 929 . 8 1 1 A 81 81 LEU H H 81 7.307 7.730 -0.423 1
1 930 . 8 1 1 A 81 81 LEU HA H 81 4.494 4.212 0.282 1
1 940 . 8 1 1 A 81 81 LEU C C 81 176.212 176.626 -0.414 1
1 941 . 8 1 1 A 81 81 LEU CA C 81 56.346 55.917 0.429 1
1 942 . 8 1 1 A 81 81 LEU CB C 81 44.025 42.430 1.595 1
1 946 . 8 1 1 A 81 81 LEU N N 81 121.062 121.841 -0.779 1
1 947 . 8 1 1 A 82 82 LEU H H 82 8.286 8.658 -0.372 1
1 948 . 8 1 1 A 82 82 LEU HA H 82 5.260 4.708 0.552 1
1 958 . 8 1 1 A 82 82 LEU C C 82 175.122 174.390 0.732 1
1 959 . 8 1 1 A 82 82 LEU CA C 82 55.334 54.636 0.698 1
1 960 . 8 1 1 A 82 82 LEU CB C 82 46.064 45.379 0.685 1
1 964 . 8 1 1 A 82 82 LEU N N 82 118.524 122.654 -4.130 1
1 965 . 8 1 1 A 83 83 THR H H 83 9.095 8.798 0.297 1
1 966 . 8 1 1 A 83 83 THR HA H 83 5.305 5.391 -0.086 1
1 971 . 8 1 1 A 83 83 THR C C 83 173.754 173.385 0.369 1
1 972 . 8 1 1 A 83 83 THR CA C 83 61.076 61.505 -0.429 1
1 973 . 8 1 1 A 83 83 THR CB C 83 71.268 70.864 0.404 1
1 975 . 8 1 1 A 83 83 THR N N 83 120.894 123.390 -2.496 1
1 976 . 8 1 1 A 84 84 VAL H H 84 9.175 8.726 0.449 1
1 977 . 8 1 1 A 84 84 VAL HA H 84 4.205 4.529 -0.324 1
1 985 . 8 1 1 A 84 84 VAL C C 84 173.741 174.513 -0.772 1
1 986 . 8 1 1 A 84 84 VAL CA C 84 61.182 60.945 0.237 1
1 987 . 8 1 1 A 84 84 VAL CB C 84 32.921 33.993 -1.072 1
1 990 . 8 1 1 A 84 84 VAL N N 84 127.342 126.592 0.750 1
1 991 . 8 1 1 A 85 85 ASN H H 85 8.597 8.969 -0.372 1
1 992 . 8 1 1 A 85 85 ASN HA H 85 4.960 5.182 -0.222 1
1 997 . 8 1 1 A 85 85 ASN C C 85 174.440 174.173 0.267 1
1 998 . 8 1 1 A 85 85 ASN CA C 85 52.870 52.316 0.554 1
1 999 . 8 1 1 A 85 85 ASN CB C 85 39.214 40.527 -1.313 1
1 1000 . 8 1 1 A 85 85 ASN N N 85 125.999 125.630 0.369 1
1 1002 . 8 1 1 A 86 86 LEU H H 86 8.283 8.923 -0.640 1
1 1003 . 8 1 1 A 86 86 LEU HA H 86 5.176 5.217 -0.041 1
1 1013 . 8 1 1 A 86 86 LEU C C 86 178.644 177.689 0.955 1
1 1014 . 8 1 1 A 86 86 LEU CA C 86 53.700 53.361 0.339 1
1 1015 . 8 1 1 A 86 86 LEU CB C 86 42.298 43.818 -1.520 1
1 1019 . 8 1 1 A 86 86 LEU N N 86 125.763 124.203 1.560 1
1 1020 . 8 1 1 A 87 87 ARG H H 87 8.655 8.915 -0.260 1
1 1021 . 8 1 1 A 87 87 ARG HA H 87 3.905 3.909 -0.004 1
1 1028 . 8 1 1 A 87 87 ARG C C 87 177.223 178.029 -0.806 1
1 1029 . 8 1 1 A 87 87 ARG CA C 87 59.717 60.098 -0.381 1
1 1030 . 8 1 1 A 87 87 ARG CB C 87 29.280 30.295 -1.015 1
1 1033 . 8 1 1 A 87 87 ARG N N 87 123.105 122.884 0.221 1
1 1034 . 8 1 1 A 88 88 GLU H H 88 8.525 8.252 0.273 1
1 1035 . 8 1 1 A 88 88 GLU HA H 88 4.515 4.227 0.288 1
1 1040 . 8 1 1 A 88 88 GLU C C 88 175.762 176.895 -1.133 1
1 1041 . 8 1 1 A 88 88 GLU CA C 88 55.852 58.338 -2.486 1
1 1042 . 8 1 1 A 88 88 GLU CB C 88 30.249 29.548 0.701 1
1 1044 . 8 1 1 A 88 88 GLU N N 88 117.722 116.275 1.447 1
1 1045 . 8 1 1 A 89 89 GLY H H 89 8.063 7.856 0.207 1
1 1046 . 8 1 1 A 89 89 GLY HA2 H 89 3.735 4.068 -0.333 1
1 1047 . 8 1 1 A 89 89 GLY HA3 H 89 4.536 4.069 0.467 1
1 1048 . 8 1 1 A 89 89 GLY C C 89 173.864 173.491 0.373 1
1 1049 . 8 1 1 A 89 89 GLY CA C 89 44.222 45.581 -1.359 1
1 1050 . 8 1 1 A 89 89 GLY N N 89 110.616 109.846 0.770 1
1 1051 . 8 1 1 A 90 90 SER H H 90 8.094 7.792 0.302 1
1 1052 . 8 1 1 A 90 90 SER HA H 90 4.484 4.917 -0.433 1
1 1055 . 8 1 1 A 90 90 SER C C 90 172.813 172.703 0.110 1
1 1056 . 8 1 1 A 90 90 SER CA C 90 58.552 57.441 1.111 1
1 1057 . 8 1 1 A 90 90 SER CB C 90 63.915 65.500 -1.585 1
1 1058 . 8 1 1 A 90 90 SER N N 90 116.620 114.087 2.533 1
1 1059 . 8 1 1 A 91 91 ARG H H 91 8.285 8.813 -0.528 1
1 1060 . 8 1 1 A 91 91 ARG HA H 91 4.725 5.163 -0.438 1
1 1067 . 8 1 1 A 91 91 ARG C C 91 175.511 174.875 0.636 1
1 1068 . 8 1 1 A 91 91 ARG CA C 91 55.870 54.677 1.193 1
1 1069 . 8 1 1 A 91 91 ARG CB C 91 32.058 32.976 -0.918 1
1 1072 . 8 1 1 A 91 91 ARG N N 91 121.045 122.376 -1.331 1
1 1073 . 8 1 1 A 92 92 LEU H H 92 8.485 9.441 -0.956 1
1 1074 . 8 1 1 A 92 92 LEU HA H 92 4.555 4.742 -0.187 1
1 1084 . 8 1 1 A 92 92 LEU C C 92 174.815 175.707 -0.892 1
1 1085 . 8 1 1 A 92 92 LEU CA C 92 53.629 53.346 0.283 1
1 1086 . 8 1 1 A 92 92 LEU CB C 92 44.066 43.001 1.065 1
1 1090 . 8 1 1 A 92 92 LEU N N 92 123.633 123.883 -0.250 1
1 1091 . 8 1 1 A 93 93 HIS H H 93 8.871 8.973 -0.102 1
1 1092 . 8 1 1 A 93 93 HIS HA H 93 5.135 4.815 0.320 1
1 1097 . 8 1 1 A 93 93 HIS C C 93 173.251 175.363 -2.112 1
1 1098 . 8 1 1 A 93 93 HIS CA C 93 56.135 56.120 0.015 1
1 1099 . 8 1 1 A 93 93 HIS CB C 93 30.701 30.312 0.389 1
1 1101 . 8 1 1 A 93 93 HIS N N 93 124.492 124.034 0.458 1
1 1102 . 8 1 1 A 94 94 LEU H H 94 9.105 8.632 0.473 1
1 1103 . 8 1 1 A 94 94 LEU HA H 94 5.940 5.431 0.509 1
1 1113 . 8 1 1 A 94 94 LEU C C 94 177.396 175.630 1.766 1
1 1114 . 8 1 1 A 94 94 LEU CA C 94 52.552 53.644 -1.092 1
1 1115 . 8 1 1 A 94 94 LEU CB C 94 45.465 46.696 -1.231 1
1 1119 . 8 1 1 A 94 94 LEU N N 94 122.911 124.205 -1.294 1
1 1120 . 8 1 1 A 95 95 CYS H H 95 8.953 8.621 0.332 1
1 1121 . 8 1 1 A 95 95 CYS HA H 95 4.863 4.974 -0.111 1
1 1124 . 8 1 1 A 95 95 CYS C C 95 172.585 173.743 -1.158 1
1 1125 . 8 1 1 A 95 95 CYS CA C 95 59.964 57.766 2.198 1
1 1126 . 8 1 1 A 95 95 CYS CB C 95 29.220 30.508 -1.288 1
1 1127 . 8 1 1 A 95 95 CYS N N 95 118.920 119.833 -0.913 1
1 1128 . 8 1 1 A 96 96 ALA H H 96 9.465 8.421 1.044 1
1 1129 . 8 1 1 A 96 96 ALA HA H 96 5.035 4.710 0.325 1
1 1133 . 8 1 1 A 96 96 ALA C C 96 177.396 179.204 -1.808 1
1 1134 . 8 1 1 A 96 96 ALA CA C 96 50.205 50.885 -0.680 1
1 1135 . 8 1 1 A 96 96 ALA CB C 96 21.571 20.477 1.094 1
1 1136 . 8 1 1 A 96 96 ALA N N 96 132.924 129.009 3.915 1
1 1137 . 8 1 1 A 97 97 GLU H H 97 9.636 9.009 0.627 1
1 1138 . 8 1 1 A 97 97 GLU HA H 97 4.344 4.263 0.081 1
1 1143 . 8 1 1 A 97 97 GLU C C 97 176.882 176.452 0.430 1
1 1144 . 8 1 1 A 97 97 GLU CA C 97 58.040 58.227 -0.187 1
1 1145 . 8 1 1 A 97 97 GLU CB C 97 30.207 29.869 0.338 1
1 1147 . 8 1 1 A 97 97 GLU N N 97 116.636 117.482 -0.846 1
1 1148 . 8 1 1 A 98 98 THR H H 98 7.155 7.741 -0.586 1
1 1149 . 8 1 1 A 98 98 THR HA H 98 4.684 4.591 0.093 1
1 1154 . 8 1 1 A 98 98 THR C C 98 174.259 174.486 -0.227 1
1 1155 . 8 1 1 A 98 98 THR CA C 98 58.323 59.989 -1.666 1
1 1156 . 8 1 1 A 98 98 THR CB C 98 73.529 71.676 1.853 1
1 1158 . 8 1 1 A 98 98 THR N N 98 102.167 109.634 -7.467 1
1 1159 . 8 1 1 A 99 99 ARG H H 99 9.025 8.825 0.200 1
1 1160 . 8 1 1 A 99 99 ARG HA H 99 4.056 4.086 -0.030 1
1 1167 . 8 1 1 A 99 99 ARG C C 99 177.995 178.109 -0.114 1
1 1168 . 8 1 1 A 99 99 ARG CA C 99 59.029 58.872 0.157 1
1 1169 . 8 1 1 A 99 99 ARG CB C 99 30.208 30.109 0.099 1
1 1172 . 8 1 1 A 99 99 ARG N N 99 122.747 120.295 2.452 1
1 1173 . 8 1 1 A 100 100 ASP H H 100 8.387 8.280 0.107 1
1 1174 . 8 1 1 A 100 100 ASP HA H 100 4.306 4.310 -0.004 1
1 1177 . 8 1 1 A 100 100 ASP C C 100 179.110 178.261 0.849 1
1 1178 . 8 1 1 A 100 100 ASP CA C 100 57.475 57.509 -0.034 1
1 1179 . 8 1 1 A 100 100 ASP CB C 100 40.201 41.442 -1.241 1
1 1180 . 8 1 1 A 100 100 ASP N N 100 116.422 119.718 -3.296 1
1 1181 . 8 1 1 A 101 101 ASP H H 101 8.046 7.533 0.513 1
1 1182 . 8 1 1 A 101 101 ASP HA H 101 4.576 4.347 0.229 1
1 1185 . 8 1 1 A 101 101 ASP C C 101 177.751 178.537 -0.786 1
1 1186 . 8 1 1 A 101 101 ASP CA C 101 57.229 57.188 0.041 1
1 1187 . 8 1 1 A 101 101 ASP CB C 101 42.093 40.361 1.732 1
1 1188 . 8 1 1 A 101 101 ASP N N 101 120.742 118.504 2.238 1
1 1189 . 8 1 1 A 102 102 ALA H H 102 7.674 7.501 0.173 1
1 1190 . 8 1 1 A 102 102 ALA HA H 102 4.084 4.220 -0.136 1
1 1194 . 8 1 1 A 102 102 ALA C C 102 179.609 179.880 -0.271 1
1 1195 . 8 1 1 A 102 102 ALA CA C 102 56.364 55.239 1.125 1
1 1196 . 8 1 1 A 102 102 ALA CB C 102 17.952 18.289 -0.337 1
1 1197 . 8 1 1 A 102 102 ALA N N 102 122.523 122.286 0.237 1
1 1198 . 8 1 1 A 103 103 ILE H H 103 8.499 8.526 -0.027 1
1 1199 . 8 1 1 A 103 103 ILE HA H 103 3.681 3.664 0.017 1
1 1209 . 8 1 1 A 103 103 ILE C C 103 178.622 178.176 0.446 1
1 1210 . 8 1 1 A 103 103 ILE CA C 103 64.182 65.361 -1.179 1
1 1211 . 8 1 1 A 103 103 ILE CB C 103 37.240 37.571 -0.331 1
1 1215 . 8 1 1 A 103 103 ILE N N 103 117.417 118.168 -0.751 1
1 1216 . 8 1 1 A 104 104 ALA H H 104 8.174 8.084 0.090 1
1 1217 . 8 1 1 A 104 104 ALA HA H 104 4.095 4.009 0.086 1
1 1221 . 8 1 1 A 104 104 ALA C C 104 181.998 179.771 2.227 1
1 1222 . 8 1 1 A 104 104 ALA CA C 104 55.517 55.211 0.306 1
1 1223 . 8 1 1 A 104 104 ALA CB C 104 17.294 18.567 -1.273 1
1 1224 . 8 1 1 A 104 104 ALA N N 104 124.916 121.562 3.354 1
1 1225 . 8 1 1 A 105 105 TRP H H 105 8.365 7.785 0.580 1
1 1226 . 8 1 1 A 105 105 TRP HA H 105 4.025 4.441 -0.416 1
1 1235 . 8 1 1 A 105 105 TRP C C 105 177.969 178.773 -0.804 1
1 1236 . 8 1 1 A 105 105 TRP CA C 105 62.011 60.003 2.008 1
1 1237 . 8 1 1 A 105 105 TRP CB C 105 29.179 28.887 0.292 1
1 1243 . 8 1 1 A 105 105 TRP N N 105 119.726 118.398 1.328 1
1 1245 . 8 1 1 A 106 106 LYS H H 106 8.746 8.027 0.719 1
1 1246 . 8 1 1 A 106 106 LYS HA H 106 3.805 4.113 -0.308 1
1 1255 . 8 1 1 A 106 106 LYS C C 106 177.626 179.079 -1.453 1
1 1256 . 8 1 1 A 106 106 LYS CA C 106 60.865 59.446 1.419 1
1 1257 . 8 1 1 A 106 106 LYS CB C 106 31.606 32.001 -0.395 1
1 1261 . 8 1 1 A 106 106 LYS N N 106 120.565 120.169 0.396 1
1 1262 . 8 1 1 A 107 107 THR H H 107 8.714 7.889 0.825 1
1 1263 . 8 1 1 A 107 107 THR HA H 107 3.774 3.861 -0.087 1
1 1268 . 8 1 1 A 107 107 THR C C 107 176.238 175.867 0.371 1
1 1269 . 8 1 1 A 107 107 THR CA C 107 66.688 66.825 -0.137 1
1 1270 . 8 1 1 A 107 107 THR CB C 107 69.065 68.611 0.454 1
1 1272 . 8 1 1 A 107 107 THR N N 107 115.018 117.977 -2.959 1
1 1273 . 8 1 1 A 108 108 ALA H H 108 7.769 8.090 -0.321 1
1 1274 . 8 1 1 A 108 108 ALA HA H 108 4.094 4.026 0.068 1
1 1278 . 8 1 1 A 108 108 ALA C C 108 180.611 179.846 0.765 1
1 1279 . 8 1 1 A 108 108 ALA CA C 108 55.005 55.019 -0.014 1
1 1280 . 8 1 1 A 108 108 ALA CB C 108 18.015 18.224 -0.209 1
1 1281 . 8 1 1 A 108 108 ALA N N 108 123.150 123.542 -0.392 1
1 1282 . 8 1 1 A 109 109 LEU H H 109 8.795 8.181 0.614 1
1 1283 . 8 1 1 A 109 109 LEU HA H 109 4.045 4.159 -0.114 1
1 1293 . 8 1 1 A 109 109 LEU C C 109 178.758 178.877 -0.119 1
1 1294 . 8 1 1 A 109 109 LEU CA C 109 58.093 57.513 0.580 1
1 1295 . 8 1 1 A 109 109 LEU CB C 109 42.298 41.933 0.365 1
1 1299 . 8 1 1 A 109 109 LEU N N 109 118.714 120.331 -1.617 1
1 1300 . 8 1 1 A 110 110 MET H H 110 8.582 8.453 0.129 1
1 1301 . 8 1 1 A 110 110 MET HA H 110 4.404 3.991 0.413 1
1 1309 . 8 1 1 A 110 110 MET C C 110 180.290 178.756 1.534 1
1 1310 . 8 1 1 A 110 110 MET CA C 110 56.876 58.828 -1.952 1
1 1311 . 8 1 1 A 110 110 MET CB C 110 30.002 32.720 -2.718 1
1 1314 . 8 1 1 A 110 110 MET N N 110 117.122 116.457 0.665 1
1 1315 . 8 1 1 A 111 111 GLU H H 111 8.062 8.283 -0.221 1
1 1316 . 8 1 1 A 111 111 GLU HA H 111 4.126 3.963 0.163 1
1 1321 . 8 1 1 A 111 111 GLU C C 111 179.237 178.578 0.659 1
1 1322 . 8 1 1 A 111 111 GLU CA C 111 59.435 58.904 0.531 1
1 1323 . 8 1 1 A 111 111 GLU CB C 111 29.015 29.459 -0.444 1
1 1325 . 8 1 1 A 111 111 GLU N N 111 121.532 118.853 2.679 1
1 1326 . 8 1 1 A 112 112 ALA H H 112 7.975 7.572 0.403 1
1 1327 . 8 1 1 A 112 112 ALA HA H 112 4.265 4.001 0.264 1
1 1331 . 8 1 1 A 112 112 ALA C C 112 179.608 179.643 -0.035 1
1 1332 . 8 1 1 A 112 112 ALA CA C 112 54.158 54.795 -0.637 1
1 1333 . 8 1 1 A 112 112 ALA CB C 112 19.530 18.486 1.044 1
1 1334 . 8 1 1 A 112 112 ALA N N 112 121.838 122.410 -0.572 1
1 1335 . 8 1 1 A 113 113 ASN H H 113 8.115 8.044 0.071 1
1 1336 . 8 1 1 A 113 113 ASN HA H 113 4.822 4.071 0.751 1
1 1341 . 8 1 1 A 113 113 ASN C C 113 176.296 175.536 0.760 1
1 1342 . 8 1 1 A 113 113 ASN CA C 113 56.311 55.857 0.454 1
1 1343 . 8 1 1 A 113 113 ASN CB C 113 40.283 38.548 1.735 1
1 1344 . 8 1 1 A 113 113 ASN N N 113 115.563 117.428 -1.865 1
1 1346 . 8 1 1 A 114 114 SER H H 114 7.365 7.670 -0.305 1
1 1347 . 8 1 1 A 114 114 SER HA H 114 4.545 4.151 0.394 1
1 1350 . 8 1 1 A 114 114 SER C C 114 174.126 173.279 0.847 1
1 1351 . 8 1 1 A 114 114 SER CA C 114 58.464 57.375 1.089 1
1 1352 . 8 1 1 A 114 114 SER CB C 114 64.400 63.095 1.305 1
1 1353 . 8 1 1 A 114 114 SER N N 114 108.652 108.495 0.157 1
1 1354 . 8 1 1 A 115 115 THR H H 115 7.849 7.212 0.637 1
1 1355 . 8 1 1 A 115 115 THR HA H 115 4.599 4.803 -0.204 1
1 1360 . 8 1 1 A 115 115 THR C C 115 172.337 172.196 0.141 1
1 1361 . 8 1 1 A 115 115 THR CA C 115 60.817 59.073 1.744 1
1 1362 . 8 1 1 A 115 115 THR CB C 115 70.016 71.607 -1.591 1
1 1364 . 8 1 1 A 115 115 THR N N 115 118.885 115.328 3.557 1
1 1365 . 8 1 1 A 116 116 PRO HA H 116 4.404 4.793 -0.389 1
1 1372 . 8 1 1 A 116 116 PRO CA C 116 63.007 62.611 0.396 1
1 1373 . 8 1 1 A 116 116 PRO CB C 116 32.346 33.441 -1.095 1
1 1376 . 8 1 1 A 117 117 ALA H H 117 8.429 8.340 0.089 1
1 1377 . 8 1 1 A 117 117 ALA HA H 117 4.535 4.750 -0.215 1
1 1381 . 8 1 1 A 117 117 ALA CA C 117 50.359 50.170 0.189 1
1 1382 . 8 1 1 A 117 117 ALA CB C 117 18.069 22.121 -4.052 1
1 1383 . 8 1 1 A 117 117 ALA N N 117 125.693 121.486 4.207 1
1 1384 . 8 1 1 A 118 118 PRO HA H 118 4.377 4.593 -0.216 1
1 1391 . 8 1 1 A 118 118 PRO C C 118 176.656 176.596 0.060 1
1 1392 . 8 1 1 A 118 118 PRO CA C 118 63.105 63.711 -0.606 1
1 1393 . 8 1 1 A 118 118 PRO CB C 118 31.935 31.828 0.107 1
1 1396 . 8 1 1 A 119 119 ALA H H 119 8.430 7.715 0.715 1
1 1397 . 8 1 1 A 119 119 ALA HA H 119 4.255 4.296 -0.041 1
1 1401 . 8 1 1 A 119 119 ALA C C 119 178.416 177.351 1.065 1
1 1402 . 8 1 1 A 119 119 ALA CA C 119 52.744 52.764 -0.020 1
1 1403 . 8 1 1 A 119 119 ALA CB C 119 19.186 19.789 -0.603 1
1 1404 . 8 1 1 A 119 119 ALA N N 119 124.565 123.515 1.050 1
1 1405 . 8 1 1 A 120 120 GLY H H 120 8.375 8.358 0.017 1
1 1406 . 8 1 1 A 120 120 GLY HA2 H 120 3.934 4.359 -0.425 1
1 1407 . 8 1 1 A 120 120 GLY HA3 H 120 3.934 4.366 -0.432 1
1 1408 . 8 1 1 A 120 120 GLY C C 120 173.810 172.195 1.615 1
1 1409 . 8 1 1 A 120 120 GLY CA C 120 45.176 46.231 -1.055 1
1 1410 . 8 1 1 A 120 120 GLY N N 120 108.353 106.676 1.677 1
1 1411 . 8 1 1 A 121 121 ALA H H 121 8.116 8.509 -0.393 1
1 1412 . 8 1 1 A 121 121 ALA HA H 121 4.379 5.024 -0.645 1
1 1416 . 8 1 1 A 121 121 ALA C C 121 177.908 177.223 0.685 1
1 1417 . 8 1 1 A 121 121 ALA CA C 121 52.446 51.214 1.232 1
1 1418 . 8 1 1 A 121 121 ALA CB C 121 19.433 23.358 -3.925 1
1 1419 . 8 1 1 A 121 121 ALA N N 121 123.561 123.072 0.489 1
1 1420 . 8 1 1 A 122 122 THR H H 122 8.212 8.581 -0.369 1
1 1421 . 8 1 1 A 122 122 THR C C 122 174.317 173.801 0.516 1
1 1422 . 8 1 1 A 122 122 THR CA C 122 61.888 63.361 -1.473 1
1 1423 . 8 1 1 A 122 122 THR CB C 122 69.648 70.116 -0.468 1
1 1425 . 8 1 1 A 122 122 THR N N 122 114.319 113.387 0.932 1
1 1426 . 8 1 1 A 123 123 VAL H H 123 8.222 7.634 0.588 1
1 1427 . 8 1 1 A 123 123 VAL HA H 123 4.455 4.507 -0.052 1
1 1435 . 8 1 1 A 123 123 VAL C C 123 174.373 174.310 0.063 1
1 1436 . 8 1 1 A 123 123 VAL CA C 123 59.717 58.989 0.728 1
1 1437 . 8 1 1 A 123 123 VAL CB C 123 32.593 33.473 -0.880 1
1 1440 . 8 1 1 A 123 123 VAL N N 123 124.311 120.386 3.925 1
1 1441 . 8 1 1 A 124 124 PRO HA H 124 4.403 4.593 -0.190 1
1 1446 . 8 1 1 A 124 124 PRO C C 124 176.873 175.288 1.585 1
1 1447 . 8 1 1 A 124 124 PRO CA C 124 63.211 62.416 0.795 1
1 1448 . 8 1 1 A 124 124 PRO CB C 124 32.017 33.298 -1.281 1
1 1451 . 8 1 1 A 125 125 SER H H 125 8.426 8.715 -0.289 1
1 1452 . 8 1 1 A 125 125 SER HA H 125 4.448 4.964 -0.516 1
1 1455 . 8 1 1 A 125 125 SER C C 125 174.598 172.962 1.636 1
1 1456 . 8 1 1 A 125 125 SER CA C 125 58.341 57.013 1.328 1
1 1457 . 8 1 1 A 125 125 SER CB C 125 64.054 65.599 -1.545 1
1 1458 . 8 1 1 A 125 125 SER N N 125 116.463 115.909 0.554 1
1 1459 . 8 1 1 A 126 126 GLY H H 126 8.233 9.041 -0.808 1
1 1460 . 8 1 1 A 126 126 GLY C C 126 171.756 172.905 -1.149 1
1 1461 . 8 1 1 A 126 126 GLY CA C 126 44.611 43.738 0.873 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.445 4.833 -0.388 1
1 4 . 9 1 1 A 6 6 SER C C 6 174.707 175.369 -0.662 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.482 57.171 1.311 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.848 63.820 0.028 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.494 8.804 -0.310 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 4.105 4.111 -0.006 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 4.105 4.138 -0.033 1
1 10 . 9 1 1 A 7 7 GLY C C 7 172.961 174.100 -1.139 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.864 45.676 0.188 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.325 113.543 -3.218 1
1 13 . 9 1 1 A 8 8 LEU H H 8 8.295 7.753 0.542 1
1 14 . 9 1 1 A 8 8 LEU HA H 8 4.268 4.800 -0.532 1
1 24 . 9 1 1 A 8 8 LEU C C 8 176.773 176.003 0.770 1
1 25 . 9 1 1 A 8 8 LEU CA C 8 55.587 54.286 1.301 1
1 26 . 9 1 1 A 8 8 LEU CB C 8 43.367 43.725 -0.358 1
1 30 . 9 1 1 A 8 8 LEU N N 8 123.800 122.954 0.846 1
1 31 . 9 1 1 A 9 9 VAL H H 9 9.290 8.777 0.513 1
1 32 . 9 1 1 A 9 9 VAL HA H 9 3.826 4.022 -0.196 1
1 40 . 9 1 1 A 9 9 VAL C C 9 176.540 175.802 0.738 1
1 41 . 9 1 1 A 9 9 VAL CA C 9 64.888 63.819 1.069 1
1 42 . 9 1 1 A 9 9 VAL CB C 9 32.264 32.381 -0.117 1
1 45 . 9 1 1 A 9 9 VAL N N 9 129.415 126.053 3.362 1
1 46 . 9 1 1 A 10 10 ARG H H 10 7.135 7.519 -0.384 1
1 47 . 9 1 1 A 10 10 ARG HA H 10 4.126 4.638 -0.512 1
1 55 . 9 1 1 A 10 10 ARG C C 10 171.942 174.446 -2.504 1
1 56 . 9 1 1 A 10 10 ARG CA C 10 55.800 54.902 0.898 1
1 57 . 9 1 1 A 10 10 ARG CB C 10 32.223 33.535 -1.312 1
1 60 . 9 1 1 A 10 10 ARG N N 10 117.246 117.571 -0.325 1
1 62 . 9 1 1 A 11 11 GLY H H 11 8.390 8.250 0.140 1
1 63 . 9 1 1 A 11 11 GLY HA2 H 11 3.204 4.345 -1.141 1
1 64 . 9 1 1 A 11 11 GLY HA3 H 11 5.336 4.519 0.817 1
1 65 . 9 1 1 A 11 11 GLY C C 11 172.895 172.894 0.001 1
1 66 . 9 1 1 A 11 11 GLY CA C 11 43.481 45.151 -1.670 1
1 67 . 9 1 1 A 11 11 GLY N N 11 113.527 109.998 3.529 1
1 68 . 9 1 1 A 12 12 GLY H H 12 7.935 8.467 -0.532 1
1 69 . 9 1 1 A 12 12 GLY C C 12 171.502 172.320 -0.818 1
1 70 . 9 1 1 A 12 12 GLY CA C 12 46.093 46.064 0.029 1
1 71 . 9 1 1 A 13 13 TRP H H 13 8.904 8.978 -0.074 1
1 72 . 9 1 1 A 13 13 TRP HA H 13 5.205 5.026 0.179 1
1 81 . 9 1 1 A 13 13 TRP C C 13 177.926 176.820 1.106 1
1 82 . 9 1 1 A 13 13 TRP CA C 13 57.846 58.703 -0.857 1
1 83 . 9 1 1 A 13 13 TRP CB C 13 30.290 30.499 -0.209 1
1 89 . 9 1 1 A 13 13 TRP N N 13 121.758 123.252 -1.494 1
1 91 . 9 1 1 A 14 14 LEU H H 14 9.295 9.224 0.071 1
1 92 . 9 1 1 A 14 14 LEU HA H 14 4.683 4.895 -0.212 1
1 102 . 9 1 1 A 14 14 LEU C C 14 175.828 175.691 0.137 1
1 103 . 9 1 1 A 14 14 LEU CA C 14 54.670 53.522 1.148 1
1 104 . 9 1 1 A 14 14 LEU CB C 14 47.562 45.821 1.741 1
1 108 . 9 1 1 A 14 14 LEU N N 14 123.447 123.968 -0.521 1
1 109 . 9 1 1 A 15 15 TRP H H 15 8.655 8.652 0.003 1
1 110 . 9 1 1 A 15 15 TRP HA H 15 5.315 5.722 -0.407 1
1 119 . 9 1 1 A 15 15 TRP C C 15 175.899 175.537 0.362 1
1 120 . 9 1 1 A 15 15 TRP CA C 15 57.159 56.697 0.462 1
1 121 . 9 1 1 A 15 15 TRP CB C 15 30.759 30.751 0.008 1
1 127 . 9 1 1 A 15 15 TRP N N 15 119.571 123.503 -3.932 1
1 129 . 9 1 1 A 16 16 ARG H H 16 10.145 9.631 0.514 1
1 130 . 9 1 1 A 16 16 ARG HA H 16 5.495 5.436 0.059 1
1 138 . 9 1 1 A 16 16 ARG C C 16 174.930 175.467 -0.537 1
1 139 . 9 1 1 A 16 16 ARG CA C 16 54.334 54.179 0.155 1
1 140 . 9 1 1 A 16 16 ARG CB C 16 34.808 33.648 1.160 1
1 143 . 9 1 1 A 16 16 ARG N N 16 121.997 126.224 -4.227 1
1 145 . 9 1 1 A 17 17 GLN H H 17 8.233 8.185 0.048 1
1 146 . 9 1 1 A 17 17 GLN HA H 17 3.797 4.289 -0.492 1
1 153 . 9 1 1 A 17 17 GLN C C 17 175.654 175.815 -0.161 1
1 154 . 9 1 1 A 17 17 GLN CA C 17 55.446 54.919 0.527 1
1 155 . 9 1 1 A 17 17 GLN CB C 17 29.056 29.103 -0.047 1
1 157 . 9 1 1 A 17 17 GLN N N 17 128.414 127.509 0.905 1
1 159 . 9 1 1 A 18 18 SER H H 18 8.635 8.666 -0.031 1
1 160 . 9 1 1 A 18 18 SER HA H 18 4.575 4.516 0.059 1
1 163 . 9 1 1 A 18 18 SER C C 18 175.585 173.878 1.707 1
1 164 . 9 1 1 A 18 18 SER CA C 18 57.246 58.352 -1.106 1
1 165 . 9 1 1 A 18 18 SER CB C 18 64.012 64.000 0.012 1
1 166 . 9 1 1 A 18 18 SER N N 18 122.600 121.873 0.727 1
1 167 . 9 1 1 A 20 20 ILE H H 20 7.976 7.733 0.243 1
1 168 . 9 1 1 A 20 20 ILE HA H 20 4.036 4.059 -0.023 1
1 178 . 9 1 1 A 20 20 ILE C C 20 176.929 176.908 0.021 1
1 179 . 9 1 1 A 20 20 ILE CA C 20 62.929 63.063 -0.134 1
1 180 . 9 1 1 A 20 20 ILE CB C 20 37.912 38.267 -0.355 1
1 184 . 9 1 1 A 20 20 ILE N N 20 120.700 118.414 2.286 1
1 185 . 9 1 1 A 21 21 LEU H H 21 8.089 7.654 0.435 1
1 186 . 9 1 1 A 21 21 LEU HA H 21 4.159 4.443 -0.284 1
1 196 . 9 1 1 A 21 21 LEU C C 21 176.455 176.358 0.097 1
1 197 . 9 1 1 A 21 21 LEU CA C 21 55.287 55.616 -0.329 1
1 198 . 9 1 1 A 21 21 LEU CB C 21 42.051 43.535 -1.484 1
1 202 . 9 1 1 A 21 21 LEU N N 21 119.540 123.004 -3.464 1
1 203 . 9 1 1 A 22 22 ARG H H 22 7.687 7.796 -0.109 1
1 204 . 9 1 1 A 22 22 ARG HA H 22 3.806 3.830 -0.024 1
1 211 . 9 1 1 A 22 22 ARG C C 22 175.087 174.232 0.855 1
1 212 . 9 1 1 A 22 22 ARG CA C 22 56.788 57.136 -0.348 1
1 213 . 9 1 1 A 22 22 ARG CB C 22 27.130 27.058 0.072 1
1 216 . 9 1 1 A 22 22 ARG N N 22 114.383 117.144 -2.761 1
1 217 . 9 1 1 A 23 23 ARG H H 23 7.392 7.616 -0.224 1
1 218 . 9 1 1 A 23 23 ARG HA H 23 4.603 4.905 -0.302 1
1 225 . 9 1 1 A 23 23 ARG C C 23 176.112 174.734 1.378 1
1 226 . 9 1 1 A 23 23 ARG CA C 23 54.846 54.463 0.383 1
1 227 . 9 1 1 A 23 23 ARG CB C 23 32.387 33.503 -1.116 1
1 230 . 9 1 1 A 23 23 ARG N N 23 115.846 117.837 -1.991 1
1 231 . 9 1 1 A 24 24 TRP H H 24 9.013 8.494 0.519 1
1 232 . 9 1 1 A 24 24 TRP HA H 24 5.154 5.257 -0.103 1
1 241 . 9 1 1 A 24 24 TRP C C 24 176.347 176.651 -0.304 1
1 242 . 9 1 1 A 24 24 TRP CA C 24 57.546 58.477 -0.931 1
1 243 . 9 1 1 A 24 24 TRP CB C 24 31.112 30.906 0.206 1
1 249 . 9 1 1 A 24 24 TRP N N 24 123.861 126.690 -2.829 1
1 251 . 9 1 1 A 25 25 LYS H H 25 9.553 9.770 -0.217 1
1 252 . 9 1 1 A 25 25 LYS HA H 25 4.992 5.400 -0.408 1
1 261 . 9 1 1 A 25 25 LYS C C 25 173.887 175.212 -1.325 1
1 262 . 9 1 1 A 25 25 LYS CA C 25 55.023 54.798 0.225 1
1 263 . 9 1 1 A 25 25 LYS CB C 25 35.965 36.363 -0.398 1
1 267 . 9 1 1 A 25 25 LYS N N 25 123.241 119.693 3.548 1
1 268 . 9 1 1 A 26 26 ARG H H 26 8.705 8.519 0.186 1
1 269 . 9 1 1 A 26 26 ARG HA H 26 4.494 4.322 0.172 1
1 276 . 9 1 1 A 26 26 ARG C C 26 175.755 175.341 0.414 1
1 277 . 9 1 1 A 26 26 ARG CA C 26 56.046 55.911 0.135 1
1 278 . 9 1 1 A 26 26 ARG CB C 26 30.783 30.389 0.394 1
1 281 . 9 1 1 A 26 26 ARG N N 26 124.843 121.868 2.975 1
1 282 . 9 1 1 A 27 27 ASN H H 27 9.100 8.684 0.416 1
1 283 . 9 1 1 A 27 27 ASN HA H 27 5.235 5.116 0.119 1
1 288 . 9 1 1 A 27 27 ASN CA C 27 54.041 52.826 1.215 1
1 289 . 9 1 1 A 27 27 ASN CB C 27 46.737 42.770 3.967 1
1 290 . 9 1 1 A 27 27 ASN N N 27 123.044 120.979 2.065 1
1 292 . 9 1 1 A 28 28 TRP H H 28 7.835 8.140 -0.305 1
1 293 . 9 1 1 A 28 28 TRP HA H 28 4.105 4.731 -0.626 1
1 299 . 9 1 1 A 28 28 TRP N N 28 122.540 127.212 -4.672 1
1 300 . 9 1 1 A 29 29 PHE H H 29 8.755 8.822 -0.067 1
1 301 . 9 1 1 A 29 29 PHE HA H 29 5.001 4.674 0.327 1
1 309 . 9 1 1 A 29 29 PHE CA C 29 56.692 57.419 -0.727 1
1 310 . 9 1 1 A 29 29 PHE CB C 29 42.284 39.818 2.466 1
1 316 . 9 1 1 A 29 29 PHE N N 29 129.716 126.401 3.315 1
1 317 . 9 1 1 A 30 30 ALA H H 30 8.695 8.345 0.350 1
1 321 . 9 1 1 A 30 30 ALA C C 30 173.958 174.428 -0.470 1
1 322 . 9 1 1 A 30 30 ALA CA C 30 50.611 49.747 0.864 1
1 323 . 9 1 1 A 30 30 ALA CB C 30 22.570 21.240 1.330 1
1 324 . 9 1 1 A 31 31 LEU H H 31 8.815 7.977 0.838 1
1 325 . 9 1 1 A 31 31 LEU HA H 31 5.003 4.674 0.329 1
1 335 . 9 1 1 A 31 31 LEU C C 31 174.414 174.247 0.167 1
1 336 . 9 1 1 A 31 31 LEU CA C 31 53.240 53.524 -0.284 1
1 337 . 9 1 1 A 31 31 LEU CB C 31 44.783 44.654 0.129 1
1 341 . 9 1 1 A 31 31 LEU N N 31 124.610 124.634 -0.024 1
1 342 . 9 1 1 A 32 32 TRP H H 32 9.045 8.774 0.271 1
1 343 . 9 1 1 A 32 32 TRP HA H 32 5.499 5.313 0.186 1
1 352 . 9 1 1 A 32 32 TRP C C 32 178.871 177.053 1.818 1
1 353 . 9 1 1 A 32 32 TRP CA C 32 55.552 55.776 -0.224 1
1 354 . 9 1 1 A 32 32 TRP CB C 32 32.346 31.842 0.504 1
1 360 . 9 1 1 A 32 32 TRP N N 32 128.500 126.909 1.591 1
1 362 . 9 1 1 A 33 33 LEU H H 33 9.246 9.036 0.210 1
1 363 . 9 1 1 A 33 33 LEU HA H 33 4.075 4.056 0.019 1
1 373 . 9 1 1 A 33 33 LEU C C 33 176.859 178.247 -1.388 1
1 374 . 9 1 1 A 33 33 LEU CA C 33 57.035 57.663 -0.628 1
1 375 . 9 1 1 A 33 33 LEU CB C 33 42.651 41.656 0.995 1
1 379 . 9 1 1 A 33 33 LEU N N 33 123.838 125.704 -1.866 1
1 380 . 9 1 1 A 34 34 ASP H H 34 7.536 8.038 -0.502 1
1 381 . 9 1 1 A 34 34 ASP HA H 34 4.395 4.568 -0.173 1
1 384 . 9 1 1 A 34 34 ASP C C 34 177.113 176.658 0.455 1
1 385 . 9 1 1 A 34 34 ASP CA C 34 53.805 54.232 -0.427 1
1 386 . 9 1 1 A 34 34 ASP CB C 34 39.625 40.986 -1.361 1
1 387 . 9 1 1 A 34 34 ASP N N 34 115.948 116.678 -0.730 1
1 388 . 9 1 1 A 35 35 GLY H H 35 8.264 9.100 -0.836 1
1 389 . 9 1 1 A 35 35 GLY HA2 H 35 4.205 3.928 0.277 1
1 390 . 9 1 1 A 35 35 GLY HA3 H 35 3.895 3.949 -0.054 1
1 391 . 9 1 1 A 35 35 GLY C C 35 173.898 173.901 -0.003 1
1 392 . 9 1 1 A 35 35 GLY CA C 35 46.216 46.365 -0.149 1
1 393 . 9 1 1 A 35 35 GLY N N 35 106.508 109.101 -2.593 1
1 394 . 9 1 1 A 36 36 THR H H 36 8.035 7.307 0.728 1
1 395 . 9 1 1 A 36 36 THR HA H 36 5.123 5.086 0.037 1
1 400 . 9 1 1 A 36 36 THR C C 36 170.669 172.914 -2.245 1
1 401 . 9 1 1 A 36 36 THR CA C 36 60.588 59.286 1.302 1
1 402 . 9 1 1 A 36 36 THR CB C 36 72.314 72.775 -0.461 1
1 404 . 9 1 1 A 36 36 THR N N 36 112.047 110.383 1.664 1
1 405 . 9 1 1 A 37 37 LEU H H 37 9.344 9.253 0.091 1
1 406 . 9 1 1 A 37 37 LEU HA H 37 5.616 5.175 0.441 1
1 416 . 9 1 1 A 37 37 LEU C C 37 175.787 175.121 0.666 1
1 417 . 9 1 1 A 37 37 LEU CA C 37 52.799 53.677 -0.878 1
1 418 . 9 1 1 A 37 37 LEU CB C 37 46.698 44.944 1.754 1
1 422 . 9 1 1 A 37 37 LEU N N 37 122.915 124.346 -1.431 1
1 423 . 9 1 1 A 38 38 GLY H H 38 9.685 8.613 1.072 1
1 424 . 9 1 1 A 38 38 GLY HA2 H 38 5.074 4.107 0.967 1
1 425 . 9 1 1 A 38 38 GLY HA3 H 38 3.825 4.315 -0.490 1
1 426 . 9 1 1 A 38 38 GLY C C 38 172.258 172.279 -0.021 1
1 427 . 9 1 1 A 38 38 GLY CA C 38 43.676 44.126 -0.450 1
1 428 . 9 1 1 A 38 38 GLY N N 38 113.092 113.845 -0.753 1
1 429 . 9 1 1 A 39 39 TYR H H 39 7.362 8.135 -0.773 1
1 430 . 9 1 1 A 39 39 TYR HA H 39 5.251 5.355 -0.104 1
1 437 . 9 1 1 A 39 39 TYR C C 39 175.367 174.039 1.328 1
1 438 . 9 1 1 A 39 39 TYR CA C 39 54.282 55.279 -0.997 1
1 439 . 9 1 1 A 39 39 TYR CB C 39 37.774 40.447 -2.673 1
1 444 . 9 1 1 A 39 39 TYR N N 39 113.951 118.957 -5.006 1
1 445 . 9 1 1 A 40 40 TYR H H 40 9.315 9.126 0.189 1
1 446 . 9 1 1 A 40 40 TYR HA H 40 5.305 4.865 0.440 1
1 453 . 9 1 1 A 40 40 TYR C C 40 177.694 176.842 0.852 1
1 454 . 9 1 1 A 40 40 TYR CA C 40 57.185 57.327 -0.142 1
1 455 . 9 1 1 A 40 40 TYR CB C 40 43.779 41.185 2.594 1
1 460 . 9 1 1 A 40 40 TYR N N 40 117.930 122.510 -4.580 1
1 461 . 9 1 1 A 41 41 HIS H H 41 8.658 8.827 -0.169 1
1 462 . 9 1 1 A 41 41 HIS HA H 41 4.654 4.340 0.314 1
1 467 . 9 1 1 A 41 41 HIS C C 41 174.858 175.641 -0.783 1
1 468 . 9 1 1 A 41 41 HIS CA C 41 59.159 59.476 -0.317 1
1 469 . 9 1 1 A 41 41 HIS CB C 41 31.094 29.747 1.347 1
1 472 . 9 1 1 A 41 41 HIS N N 41 121.927 121.429 0.498 1
1 473 . 9 1 1 A 42 42 ASP H H 42 8.095 8.156 -0.061 1
1 474 . 9 1 1 A 42 42 ASP HA H 42 4.795 4.947 -0.152 1
1 477 . 9 1 1 A 42 42 ASP C C 42 175.052 176.174 -1.122 1
1 478 . 9 1 1 A 42 42 ASP CA C 42 53.155 52.766 0.389 1
1 479 . 9 1 1 A 42 42 ASP CB C 42 41.860 43.800 -1.940 1
1 480 . 9 1 1 A 42 42 ASP N N 42 112.020 116.581 -4.561 1
1 481 . 9 1 1 A 43 43 GLU H H 43 8.899 8.953 -0.054 1
1 482 . 9 1 1 A 43 43 GLU C C 43 176.336 178.127 -1.791 1
1 483 . 9 1 1 A 43 43 GLU CA C 43 57.021 59.036 -2.015 1
1 484 . 9 1 1 A 43 43 GLU CB C 43 27.493 28.408 -0.915 1
1 485 . 9 1 1 A 43 43 GLU N N 43 116.402 121.471 -5.069 1
1 486 . 9 1 1 A 44 44 THR H H 44 8.093 7.707 0.386 1
1 487 . 9 1 1 A 44 44 THR HA H 44 3.915 3.984 -0.069 1
1 492 . 9 1 1 A 44 44 THR CA C 44 63.143 64.708 -1.565 1
1 493 . 9 1 1 A 44 44 THR CB C 44 69.620 68.810 0.810 1
1 495 . 9 1 1 A 44 44 THR N N 44 111.376 112.164 -0.788 1
1 496 . 9 1 1 A 45 45 ALA H H 45 7.815 7.707 0.108 1
1 497 . 9 1 1 A 45 45 ALA HA H 45 3.430 3.926 -0.496 1
1 501 . 9 1 1 A 45 45 ALA C C 45 175.091 177.114 -2.023 1
1 502 . 9 1 1 A 45 45 ALA CA C 45 53.434 52.617 0.817 1
1 503 . 9 1 1 A 45 45 ALA CB C 45 15.567 16.626 -1.059 1
1 504 . 9 1 1 A 46 46 GLN H H 46 7.869 8.021 -0.152 1
1 505 . 9 1 1 A 46 46 GLN HA H 46 4.238 4.227 0.011 1
1 512 . 9 1 1 A 46 46 GLN C C 46 176.190 175.693 0.497 1
1 513 . 9 1 1 A 46 46 GLN CA C 46 56.929 58.006 -1.077 1
1 514 . 9 1 1 A 46 46 GLN CB C 46 30.454 29.425 1.029 1
1 516 . 9 1 1 A 46 46 GLN N N 46 115.953 114.242 1.711 1
1 518 . 9 1 1 A 47 47 ASP H H 47 8.326 8.147 0.179 1
1 519 . 9 1 1 A 47 47 ASP HA H 47 4.954 4.837 0.117 1
1 522 . 9 1 1 A 47 47 ASP C C 47 173.846 175.014 -1.168 1
1 523 . 9 1 1 A 47 47 ASP CA C 47 52.993 53.379 -0.386 1
1 524 . 9 1 1 A 47 47 ASP CB C 47 41.558 41.288 0.270 1
1 525 . 9 1 1 A 47 47 ASP N N 47 119.830 119.792 0.038 1
1 526 . 9 1 1 A 48 48 GLU H H 48 8.756 8.820 -0.064 1
1 527 . 9 1 1 A 48 48 GLU HA H 48 3.785 4.077 -0.292 1
1 532 . 9 1 1 A 48 48 GLU C C 48 175.892 176.128 -0.236 1
1 533 . 9 1 1 A 48 48 GLU CA C 48 56.470 56.313 0.157 1
1 534 . 9 1 1 A 48 48 GLU CB C 48 32.264 30.078 2.186 1
1 536 . 9 1 1 A 48 48 GLU N N 48 125.923 125.540 0.383 1
1 537 . 9 1 1 A 49 49 GLU H H 49 8.945 8.455 0.490 1
1 538 . 9 1 1 A 49 49 GLU HA H 49 4.164 4.303 -0.139 1
1 543 . 9 1 1 A 49 49 GLU C C 49 176.040 176.026 0.014 1
1 544 . 9 1 1 A 49 49 GLU CA C 49 58.447 58.108 0.339 1
1 545 . 9 1 1 A 49 49 GLU CB C 49 30.207 30.706 -0.499 1
1 547 . 9 1 1 A 49 49 GLU N N 49 129.751 125.764 3.987 1
1 548 . 9 1 1 A 50 50 ASP H H 50 6.736 7.164 -0.428 1
1 549 . 9 1 1 A 50 50 ASP HA H 50 4.355 4.898 -0.543 1
1 552 . 9 1 1 A 50 50 ASP C C 50 172.562 173.366 -0.804 1
1 553 . 9 1 1 A 50 50 ASP CA C 50 52.729 53.014 -0.285 1
1 554 . 9 1 1 A 50 50 ASP CB C 50 43.737 44.764 -1.027 1
1 555 . 9 1 1 A 50 50 ASP N N 50 113.574 116.766 -3.192 1
1 556 . 9 1 1 A 51 51 ARG H H 51 8.532 8.643 -0.111 1
1 557 . 9 1 1 A 51 51 ARG HA H 51 5.005 4.958 0.047 1
1 565 . 9 1 1 A 51 51 ARG C C 51 174.656 174.605 0.051 1
1 566 . 9 1 1 A 51 51 ARG CA C 51 55.605 55.027 0.578 1
1 567 . 9 1 1 A 51 51 ARG CB C 51 33.520 33.724 -0.204 1
1 570 . 9 1 1 A 51 51 ARG N N 51 117.888 122.479 -4.591 1
1 572 . 9 1 1 A 52 52 VAL H H 52 9.155 9.155 0.000 1
1 573 . 9 1 1 A 52 52 VAL HA H 52 4.616 4.944 -0.328 1
1 581 . 9 1 1 A 52 52 VAL C C 52 174.710 175.366 -0.656 1
1 582 . 9 1 1 A 52 52 VAL CA C 52 59.382 60.449 -1.067 1
1 583 . 9 1 1 A 52 52 VAL CB C 52 35.266 34.430 0.836 1
1 586 . 9 1 1 A 52 52 VAL N N 52 121.629 122.033 -0.404 1
1 587 . 9 1 1 A 53 53 VAL H H 53 8.956 9.077 -0.121 1
1 588 . 9 1 1 A 53 53 VAL HA H 53 3.745 4.120 -0.375 1
1 596 . 9 1 1 A 53 53 VAL C C 53 174.610 175.740 -1.130 1
1 597 . 9 1 1 A 53 53 VAL CA C 53 64.676 63.619 1.057 1
1 598 . 9 1 1 A 53 53 VAL CB C 53 32.305 32.160 0.145 1
1 601 . 9 1 1 A 53 53 VAL N N 53 125.547 125.718 -0.171 1
1 602 . 9 1 1 A 54 54 ILE H H 54 8.705 9.023 -0.318 1
1 603 . 9 1 1 A 54 54 ILE HA H 54 4.324 4.280 0.044 1
1 613 . 9 1 1 A 54 54 ILE C C 54 176.747 176.347 0.400 1
1 614 . 9 1 1 A 54 54 ILE CA C 54 58.623 62.935 -4.312 1
1 615 . 9 1 1 A 54 54 ILE CB C 54 36.787 39.219 -2.432 1
1 619 . 9 1 1 A 54 54 ILE N N 54 126.147 126.532 -0.385 1
1 620 . 9 1 1 A 55 55 HIS H H 55 7.913 7.632 0.281 1
1 621 . 9 1 1 A 55 55 HIS HA H 55 4.626 4.133 0.493 1
1 626 . 9 1 1 A 55 55 HIS C C 55 174.365 175.606 -1.241 1
1 627 . 9 1 1 A 55 55 HIS CA C 55 57.917 57.016 0.901 1
1 628 . 9 1 1 A 55 55 HIS CB C 55 29.796 29.564 0.232 1
1 631 . 9 1 1 A 55 55 HIS N N 55 119.790 122.497 -2.707 1
1 632 . 9 1 1 A 56 56 PHE H H 56 9.382 8.743 0.639 1
1 633 . 9 1 1 A 56 56 PHE HA H 56 4.225 4.288 -0.063 1
1 641 . 9 1 1 A 56 56 PHE C C 56 175.781 175.088 0.693 1
1 642 . 9 1 1 A 56 56 PHE CA C 56 57.593 58.323 -0.730 1
1 643 . 9 1 1 A 56 56 PHE CB C 56 36.664 36.092 0.572 1
1 649 . 9 1 1 A 56 56 PHE N N 56 124.614 122.988 1.626 1
1 650 . 9 1 1 A 57 57 ASN H H 57 8.755 7.770 0.985 1
1 651 . 9 1 1 A 57 57 ASN HA H 57 5.319 5.101 0.218 1
1 656 . 9 1 1 A 57 57 ASN C C 57 175.317 175.464 -0.147 1
1 657 . 9 1 1 A 57 57 ASN CA C 57 52.129 54.380 -2.251 1
1 658 . 9 1 1 A 57 57 ASN CB C 57 41.640 41.510 0.130 1
1 659 . 9 1 1 A 57 57 ASN N N 57 114.893 116.419 -1.526 1
1 661 . 9 1 1 A 58 58 VAL H H 58 8.606 7.527 1.079 1
1 662 . 9 1 1 A 58 58 VAL HA H 58 4.138 4.306 -0.168 1
1 670 . 9 1 1 A 58 58 VAL C C 58 175.486 176.098 -0.612 1
1 671 . 9 1 1 A 58 58 VAL CA C 58 63.035 63.585 -0.550 1
1 672 . 9 1 1 A 58 58 VAL CB C 58 32.733 31.631 1.102 1
1 675 . 9 1 1 A 58 58 VAL N N 58 121.476 118.215 3.261 1
1 676 . 9 1 1 A 59 59 ARG H H 59 9.233 9.135 0.098 1
1 677 . 9 1 1 A 59 59 ARG HA H 59 4.184 4.264 -0.080 1
1 684 . 9 1 1 A 59 59 ARG C C 59 175.572 175.366 0.206 1
1 685 . 9 1 1 A 59 59 ARG CA C 59 58.093 57.675 0.418 1
1 686 . 9 1 1 A 59 59 ARG CB C 59 31.236 31.426 -0.190 1
1 689 . 9 1 1 A 59 59 ARG N N 59 128.965 129.779 -0.814 1
1 690 . 9 1 1 A 60 60 ASP H H 60 7.745 7.874 -0.129 1
1 691 . 9 1 1 A 60 60 ASP HA H 60 4.485 5.134 -0.649 1
1 694 . 9 1 1 A 60 60 ASP C C 60 173.047 174.182 -1.135 1
1 695 . 9 1 1 A 60 60 ASP CA C 60 53.911 53.216 0.695 1
1 696 . 9 1 1 A 60 60 ASP CB C 60 42.874 45.183 -2.309 1
1 697 . 9 1 1 A 60 60 ASP N N 60 113.170 116.145 -2.975 1
1 698 . 9 1 1 A 61 61 ILE H H 61 8.398 8.557 -0.159 1
1 699 . 9 1 1 A 61 61 ILE HA H 61 5.055 4.922 0.133 1
1 709 . 9 1 1 A 61 61 ILE C C 61 174.897 174.562 0.335 1
1 710 . 9 1 1 A 61 61 ILE CA C 61 60.511 60.242 0.269 1
1 711 . 9 1 1 A 61 61 ILE CB C 61 41.558 41.828 -0.270 1
1 715 . 9 1 1 A 61 61 ILE N N 61 118.375 120.591 -2.216 1
1 716 . 9 1 1 A 62 62 LYS H H 62 8.619 9.286 -0.667 1
1 717 . 9 1 1 A 62 62 LYS HA H 62 4.711 5.183 -0.472 1
1 726 . 9 1 1 A 62 62 LYS C C 62 174.636 175.236 -0.600 1
1 727 . 9 1 1 A 62 62 LYS CA C 62 53.947 54.841 -0.894 1
1 728 . 9 1 1 A 62 62 LYS CB C 62 35.677 36.051 -0.374 1
1 732 . 9 1 1 A 62 62 LYS N N 62 128.701 125.963 2.738 1
1 733 . 9 1 1 A 63 63 VAL H H 63 8.946 8.763 0.183 1
1 734 . 9 1 1 A 63 63 VAL HA H 63 5.073 4.720 0.353 1
1 742 . 9 1 1 A 63 63 VAL C C 63 177.772 176.208 1.564 1
1 743 . 9 1 1 A 63 63 VAL CA C 63 59.734 60.784 -1.050 1
1 744 . 9 1 1 A 63 63 VAL CB C 63 36.210 34.419 1.791 1
1 747 . 9 1 1 A 63 63 VAL N N 63 120.053 122.339 -2.286 1
1 748 . 9 1 1 A 64 64 GLY H H 64 9.804 9.164 0.640 1
1 749 . 9 1 1 A 64 64 GLY HA2 H 64 4.415 3.918 0.497 1
1 750 . 9 1 1 A 64 64 GLY HA3 H 64 3.906 3.919 -0.013 1
1 751 . 9 1 1 A 64 64 GLY C C 64 176.864 175.728 1.136 1
1 752 . 9 1 1 A 64 64 GLY CA C 64 47.063 47.216 -0.153 1
1 753 . 9 1 1 A 64 64 GLY N N 64 118.354 115.326 3.028 1
1 754 . 9 1 1 A 65 65 GLN H H 65 9.045 8.834 0.211 1
1 755 . 9 1 1 A 65 65 GLN HA H 65 3.944 4.044 -0.100 1
1 762 . 9 1 1 A 65 65 GLN C C 65 176.698 178.303 -1.605 1
1 763 . 9 1 1 A 65 65 GLN CA C 65 57.793 58.778 -0.985 1
1 764 . 9 1 1 A 65 65 GLN CB C 65 27.822 28.208 -0.386 1
1 766 . 9 1 1 A 65 65 GLN N N 65 124.600 125.366 -0.766 1
1 768 . 9 1 1 A 66 66 GLU H H 66 7.886 8.126 -0.240 1
1 769 . 9 1 1 A 66 66 GLU HA H 66 4.145 4.095 0.050 1
1 774 . 9 1 1 A 66 66 GLU C C 66 178.049 177.680 0.369 1
1 775 . 9 1 1 A 66 66 GLU CA C 66 57.564 59.526 -1.962 1
1 776 . 9 1 1 A 66 66 GLU CB C 66 31.236 29.229 2.007 1
1 778 . 9 1 1 A 66 66 GLU N N 66 116.486 119.398 -2.912 1
1 779 . 9 1 1 A 67 67 CYS H H 67 8.015 7.620 0.395 1
1 780 . 9 1 1 A 67 67 CYS HA H 67 4.331 4.406 -0.075 1
1 783 . 9 1 1 A 67 67 CYS C C 67 175.278 174.293 0.985 1
1 784 . 9 1 1 A 67 67 CYS CA C 67 58.817 60.002 -1.185 1
1 785 . 9 1 1 A 67 67 CYS CB C 67 26.342 27.683 -1.341 1
1 786 . 9 1 1 A 67 67 CYS N N 67 119.526 118.921 0.605 1
1 787 . 9 1 1 A 68 68 GLN H H 68 7.983 8.988 -1.005 1
1 788 . 9 1 1 A 68 68 GLN HA H 68 4.199 4.713 -0.514 1
1 795 . 9 1 1 A 68 68 GLN C C 68 175.866 174.794 1.072 1
1 796 . 9 1 1 A 68 68 GLN CA C 68 56.399 55.227 1.172 1
1 797 . 9 1 1 A 68 68 GLN CB C 68 29.837 32.038 -2.201 1
1 799 . 9 1 1 A 68 68 GLN N N 68 120.826 123.341 -2.515 1
1 801 . 9 1 1 A 69 69 ASP H H 69 8.755 9.156 -0.401 1
1 802 . 9 1 1 A 69 69 ASP HA H 69 4.395 4.205 0.190 1
1 805 . 9 1 1 A 69 69 ASP C C 69 174.652 174.614 0.038 1
1 806 . 9 1 1 A 69 69 ASP CA C 69 54.546 55.199 -0.653 1
1 807 . 9 1 1 A 69 69 ASP CB C 69 39.954 39.937 0.017 1
1 808 . 9 1 1 A 69 69 ASP N N 69 117.691 124.576 -6.885 1
1 809 . 9 1 1 A 70 70 VAL H H 70 7.245 7.378 -0.133 1
1 810 . 9 1 1 A 70 70 VAL HA H 70 4.173 4.699 -0.526 1
1 818 . 9 1 1 A 70 70 VAL C C 70 173.502 174.406 -0.904 1
1 819 . 9 1 1 A 70 70 VAL CA C 70 60.502 60.504 -0.002 1
1 820 . 9 1 1 A 70 70 VAL CB C 70 34.397 35.638 -1.241 1
1 823 . 9 1 1 A 70 70 VAL N N 70 116.632 118.329 -1.697 1
1 824 . 9 1 1 A 71 71 GLN H H 71 8.513 8.958 -0.445 1
1 825 . 9 1 1 A 71 71 GLN HA H 71 4.758 4.847 -0.089 1
1 832 . 9 1 1 A 71 71 GLN C C 71 173.404 173.769 -0.365 1
1 833 . 9 1 1 A 71 71 GLN CA C 71 52.093 52.059 0.034 1
1 834 . 9 1 1 A 71 71 GLN CB C 71 29.467 30.705 -1.238 1
1 836 . 9 1 1 A 71 71 GLN N N 71 125.361 126.106 -0.745 1
1 838 . 9 1 1 A 72 72 PRO HA H 72 3.955 4.326 -0.371 1
1 845 . 9 1 1 A 72 72 PRO CA C 72 61.219 61.548 -0.329 1
1 846 . 9 1 1 A 72 72 PRO CB C 72 30.548 31.584 -1.036 1
1 849 . 9 1 1 A 73 73 PRO HA H 73 3.584 4.436 -0.852 1
1 856 . 9 1 1 A 73 73 PRO C C 73 175.005 176.260 -1.255 1
1 857 . 9 1 1 A 73 73 PRO CA C 73 61.764 61.985 -0.221 1
1 858 . 9 1 1 A 73 73 PRO CB C 73 30.080 31.899 -1.819 1
1 861 . 9 1 1 A 74 74 GLU H H 74 8.066 8.514 -0.448 1
1 862 . 9 1 1 A 74 74 GLU HA H 74 3.766 3.853 -0.087 1
1 867 . 9 1 1 A 74 74 GLU C C 74 177.415 177.022 0.393 1
1 868 . 9 1 1 A 74 74 GLU CA C 74 58.005 58.152 -0.147 1
1 869 . 9 1 1 A 74 74 GLU CB C 74 29.340 29.235 0.105 1
1 871 . 9 1 1 A 74 74 GLU N N 74 120.425 122.024 -1.599 1
1 872 . 9 1 1 A 75 75 GLY H H 75 8.576 8.894 -0.318 1
1 873 . 9 1 1 A 75 75 GLY HA2 H 75 4.024 3.915 0.109 1
1 874 . 9 1 1 A 75 75 GLY HA3 H 75 3.568 3.937 -0.369 1
1 875 . 9 1 1 A 75 75 GLY C C 75 174.093 174.648 -0.555 1
1 876 . 9 1 1 A 75 75 GLY CA C 75 45.299 45.105 0.194 1
1 877 . 9 1 1 A 75 75 GLY N N 75 112.779 115.095 -2.316 1
1 878 . 9 1 1 A 76 76 ARG H H 76 7.791 7.759 0.032 1
1 879 . 9 1 1 A 76 76 ARG HA H 76 4.444 4.270 0.174 1
1 887 . 9 1 1 A 76 76 ARG C C 76 175.188 174.845 0.343 1
1 888 . 9 1 1 A 76 76 ARG CA C 76 54.617 56.240 -1.623 1
1 889 . 9 1 1 A 76 76 ARG CB C 76 31.030 31.471 -0.441 1
1 892 . 9 1 1 A 76 76 ARG N N 76 121.088 121.417 -0.329 1
1 894 . 9 1 1 A 77 77 SER H H 77 8.235 8.616 -0.381 1
1 895 . 9 1 1 A 77 77 SER HA H 77 4.405 4.719 -0.314 1
1 898 . 9 1 1 A 77 77 SER C C 77 176.069 174.282 1.787 1
1 899 . 9 1 1 A 77 77 SER CA C 77 56.805 57.333 -0.528 1
1 900 . 9 1 1 A 77 77 SER CB C 77 64.136 66.665 -2.529 1
1 901 . 9 1 1 A 77 77 SER N N 77 113.991 116.166 -2.175 1
1 902 . 9 1 1 A 78 78 ARG H H 78 8.745 9.000 -0.255 1
1 903 . 9 1 1 A 78 78 ARG HA H 78 3.774 3.927 -0.153 1
1 909 . 9 1 1 A 78 78 ARG C C 78 176.758 177.981 -1.223 1
1 910 . 9 1 1 A 78 78 ARG CA C 78 58.341 59.921 -1.580 1
1 911 . 9 1 1 A 78 78 ARG CB C 78 30.043 30.333 -0.290 1
1 914 . 9 1 1 A 78 78 ARG N N 78 122.262 124.442 -2.180 1
1 915 . 9 1 1 A 79 79 ASP H H 79 8.106 8.359 -0.253 1
1 916 . 9 1 1 A 79 79 ASP HA H 79 4.175 4.334 -0.159 1
1 919 . 9 1 1 A 79 79 ASP C C 79 175.579 179.713 -4.134 1
1 920 . 9 1 1 A 79 79 ASP CA C 79 57.159 56.931 0.228 1
1 921 . 9 1 1 A 79 79 ASP CB C 79 40.900 40.257 0.643 1
1 922 . 9 1 1 A 79 79 ASP N N 79 115.963 120.171 -4.208 1
1 923 . 9 1 1 A 80 80 GLY H H 80 7.305 8.204 -0.899 1
1 924 . 9 1 1 A 80 80 GLY HA2 H 80 4.047 3.710 0.337 1
1 925 . 9 1 1 A 80 80 GLY HA3 H 80 3.387 3.736 -0.349 1
1 926 . 9 1 1 A 80 80 GLY C C 80 174.263 175.392 -1.129 1
1 927 . 9 1 1 A 80 80 GLY CA C 80 44.276 47.348 -3.072 1
1 928 . 9 1 1 A 80 80 GLY N N 80 101.592 107.908 -6.316 1
1 929 . 9 1 1 A 81 81 LEU H H 81 7.307 7.189 0.118 1
1 930 . 9 1 1 A 81 81 LEU HA H 81 4.494 4.171 0.323 1
1 940 . 9 1 1 A 81 81 LEU C C 81 176.212 176.412 -0.200 1
1 941 . 9 1 1 A 81 81 LEU CA C 81 56.346 55.939 0.407 1
1 942 . 9 1 1 A 81 81 LEU CB C 81 44.025 42.254 1.771 1
1 946 . 9 1 1 A 81 81 LEU N N 81 121.062 121.843 -0.781 1
1 947 . 9 1 1 A 82 82 LEU H H 82 8.286 8.814 -0.528 1
1 948 . 9 1 1 A 82 82 LEU HA H 82 5.260 5.036 0.224 1
1 958 . 9 1 1 A 82 82 LEU C C 82 175.122 174.446 0.676 1
1 959 . 9 1 1 A 82 82 LEU CA C 82 55.334 54.707 0.627 1
1 960 . 9 1 1 A 82 82 LEU CB C 82 46.064 45.445 0.619 1
1 964 . 9 1 1 A 82 82 LEU N N 82 118.524 123.565 -5.041 1
1 965 . 9 1 1 A 83 83 THR H H 83 9.095 9.236 -0.141 1
1 966 . 9 1 1 A 83 83 THR HA H 83 5.305 5.339 -0.034 1
1 971 . 9 1 1 A 83 83 THR C C 83 173.754 173.704 0.050 1
1 972 . 9 1 1 A 83 83 THR CA C 83 61.076 61.963 -0.887 1
1 973 . 9 1 1 A 83 83 THR CB C 83 71.268 70.225 1.043 1
1 975 . 9 1 1 A 83 83 THR N N 83 120.894 123.267 -2.373 1
1 976 . 9 1 1 A 84 84 VAL H H 84 9.175 9.010 0.165 1
1 977 . 9 1 1 A 84 84 VAL HA H 84 4.205 4.522 -0.317 1
1 985 . 9 1 1 A 84 84 VAL C C 84 173.741 174.787 -1.046 1
1 986 . 9 1 1 A 84 84 VAL CA C 84 61.182 61.105 0.077 1
1 987 . 9 1 1 A 84 84 VAL CB C 84 32.921 33.767 -0.846 1
1 990 . 9 1 1 A 84 84 VAL N N 84 127.342 128.264 -0.922 1
1 991 . 9 1 1 A 85 85 ASN H H 85 8.597 9.262 -0.665 1
1 992 . 9 1 1 A 85 85 ASN HA H 85 4.960 5.402 -0.442 1
1 997 . 9 1 1 A 85 85 ASN C C 85 174.440 174.451 -0.011 1
1 998 . 9 1 1 A 85 85 ASN CA C 85 52.870 51.832 1.038 1
1 999 . 9 1 1 A 85 85 ASN CB C 85 39.214 41.682 -2.468 1
1 1000 . 9 1 1 A 85 85 ASN N N 85 125.999 124.950 1.049 1
1 1002 . 9 1 1 A 86 86 LEU H H 86 8.283 9.009 -0.726 1
1 1003 . 9 1 1 A 86 86 LEU HA H 86 5.176 4.751 0.425 1
1 1013 . 9 1 1 A 86 86 LEU C C 86 178.644 177.866 0.778 1
1 1014 . 9 1 1 A 86 86 LEU CA C 86 53.700 53.447 0.253 1
1 1015 . 9 1 1 A 86 86 LEU CB C 86 42.298 43.603 -1.305 1
1 1019 . 9 1 1 A 86 86 LEU N N 86 125.763 125.062 0.701 1
1 1020 . 9 1 1 A 87 87 ARG H H 87 8.655 8.781 -0.126 1
1 1021 . 9 1 1 A 87 87 ARG HA H 87 3.905 4.166 -0.261 1
1 1028 . 9 1 1 A 87 87 ARG C C 87 177.223 177.900 -0.677 1
1 1029 . 9 1 1 A 87 87 ARG CA C 87 59.717 58.283 1.434 1
1 1030 . 9 1 1 A 87 87 ARG CB C 87 29.280 30.544 -1.264 1
1 1033 . 9 1 1 A 87 87 ARG N N 87 123.105 120.887 2.218 1
1 1034 . 9 1 1 A 88 88 GLU H H 88 8.525 7.945 0.580 1
1 1035 . 9 1 1 A 88 88 GLU HA H 88 4.515 4.277 0.238 1
1 1040 . 9 1 1 A 88 88 GLU C C 88 175.762 176.700 -0.938 1
1 1041 . 9 1 1 A 88 88 GLU CA C 88 55.852 57.228 -1.376 1
1 1042 . 9 1 1 A 88 88 GLU CB C 88 30.249 30.013 0.236 1
1 1044 . 9 1 1 A 88 88 GLU N N 88 117.722 117.622 0.100 1
1 1045 . 9 1 1 A 89 89 GLY H H 89 8.063 7.798 0.265 1
1 1046 . 9 1 1 A 89 89 GLY HA2 H 89 3.735 4.067 -0.332 1
1 1047 . 9 1 1 A 89 89 GLY HA3 H 89 4.536 4.070 0.466 1
1 1048 . 9 1 1 A 89 89 GLY C C 89 173.864 173.410 0.454 1
1 1049 . 9 1 1 A 89 89 GLY CA C 89 44.222 45.593 -1.371 1
1 1050 . 9 1 1 A 89 89 GLY N N 89 110.616 109.374 1.242 1
1 1051 . 9 1 1 A 90 90 SER H H 90 8.094 7.740 0.354 1
1 1052 . 9 1 1 A 90 90 SER HA H 90 4.484 4.709 -0.225 1
1 1055 . 9 1 1 A 90 90 SER C C 90 172.813 172.450 0.363 1
1 1056 . 9 1 1 A 90 90 SER CA C 90 58.552 57.312 1.240 1
1 1057 . 9 1 1 A 90 90 SER CB C 90 63.915 64.963 -1.048 1
1 1058 . 9 1 1 A 90 90 SER N N 90 116.620 114.284 2.336 1
1 1059 . 9 1 1 A 91 91 ARG H H 91 8.285 8.617 -0.332 1
1 1060 . 9 1 1 A 91 91 ARG HA H 91 4.725 5.242 -0.517 1
1 1067 . 9 1 1 A 91 91 ARG C C 91 175.511 174.476 1.035 1
1 1068 . 9 1 1 A 91 91 ARG CA C 91 55.870 53.826 2.044 1
1 1069 . 9 1 1 A 91 91 ARG CB C 91 32.058 34.208 -2.150 1
1 1072 . 9 1 1 A 91 91 ARG N N 91 121.045 121.409 -0.364 1
1 1073 . 9 1 1 A 92 92 LEU H H 92 8.485 9.134 -0.649 1
1 1074 . 9 1 1 A 92 92 LEU HA H 92 4.555 4.989 -0.434 1
1 1084 . 9 1 1 A 92 92 LEU C C 92 174.815 175.387 -0.572 1
1 1085 . 9 1 1 A 92 92 LEU CA C 92 53.629 52.888 0.741 1
1 1086 . 9 1 1 A 92 92 LEU CB C 92 44.066 44.013 0.053 1
1 1090 . 9 1 1 A 92 92 LEU N N 92 123.633 122.007 1.626 1
1 1091 . 9 1 1 A 93 93 HIS H H 93 8.871 9.051 -0.180 1
1 1092 . 9 1 1 A 93 93 HIS HA H 93 5.135 5.182 -0.047 1
1 1097 . 9 1 1 A 93 93 HIS C C 93 173.251 174.597 -1.346 1
1 1098 . 9 1 1 A 93 93 HIS CA C 93 56.135 54.753 1.382 1
1 1099 . 9 1 1 A 93 93 HIS CB C 93 30.701 30.759 -0.058 1
1 1101 . 9 1 1 A 93 93 HIS N N 93 124.492 123.205 1.287 1
1 1102 . 9 1 1 A 94 94 LEU H H 94 9.105 9.630 -0.525 1
1 1103 . 9 1 1 A 94 94 LEU HA H 94 5.940 5.599 0.341 1
1 1113 . 9 1 1 A 94 94 LEU C C 94 177.396 175.624 1.772 1
1 1114 . 9 1 1 A 94 94 LEU CA C 94 52.552 53.452 -0.900 1
1 1115 . 9 1 1 A 94 94 LEU CB C 94 45.465 46.745 -1.280 1
1 1119 . 9 1 1 A 94 94 LEU N N 94 122.911 124.789 -1.878 1
1 1120 . 9 1 1 A 95 95 CYS H H 95 8.953 8.407 0.546 1
1 1121 . 9 1 1 A 95 95 CYS HA H 95 4.863 4.927 -0.064 1
1 1124 . 9 1 1 A 95 95 CYS C C 95 172.585 173.443 -0.858 1
1 1125 . 9 1 1 A 95 95 CYS CA C 95 59.964 57.841 2.123 1
1 1126 . 9 1 1 A 95 95 CYS CB C 95 29.220 30.782 -1.562 1
1 1127 . 9 1 1 A 95 95 CYS N N 95 118.920 119.255 -0.335 1
1 1128 . 9 1 1 A 96 96 ALA H H 96 9.465 8.851 0.614 1
1 1129 . 9 1 1 A 96 96 ALA HA H 96 5.035 4.745 0.290 1
1 1133 . 9 1 1 A 96 96 ALA C C 96 177.396 178.275 -0.879 1
1 1134 . 9 1 1 A 96 96 ALA CA C 96 50.205 51.020 -0.815 1
1 1135 . 9 1 1 A 96 96 ALA CB C 96 21.571 20.838 0.733 1
1 1136 . 9 1 1 A 96 96 ALA N N 96 132.924 129.208 3.716 1
1 1137 . 9 1 1 A 97 97 GLU H H 97 9.636 8.635 1.001 1
1 1138 . 9 1 1 A 97 97 GLU HA H 97 4.344 4.102 0.242 1
1 1143 . 9 1 1 A 97 97 GLU C C 97 176.882 176.723 0.159 1
1 1144 . 9 1 1 A 97 97 GLU CA C 97 58.040 60.084 -2.044 1
1 1145 . 9 1 1 A 97 97 GLU CB C 97 30.207 29.955 0.252 1
1 1147 . 9 1 1 A 97 97 GLU N N 97 116.636 121.176 -4.540 1
1 1148 . 9 1 1 A 98 98 THR H H 98 7.155 7.757 -0.602 1
1 1149 . 9 1 1 A 98 98 THR HA H 98 4.684 4.679 0.005 1
1 1154 . 9 1 1 A 98 98 THR C C 98 174.259 174.802 -0.543 1
1 1155 . 9 1 1 A 98 98 THR CA C 98 58.323 59.595 -1.272 1
1 1156 . 9 1 1 A 98 98 THR CB C 98 73.529 72.365 1.164 1
1 1158 . 9 1 1 A 98 98 THR N N 98 102.167 111.749 -9.582 1
1 1159 . 9 1 1 A 99 99 ARG H H 99 9.025 8.871 0.154 1
1 1160 . 9 1 1 A 99 99 ARG HA H 99 4.056 4.074 -0.018 1
1 1167 . 9 1 1 A 99 99 ARG C C 99 177.995 178.151 -0.156 1
1 1168 . 9 1 1 A 99 99 ARG CA C 99 59.029 59.128 -0.099 1
1 1169 . 9 1 1 A 99 99 ARG CB C 99 30.208 30.199 0.009 1
1 1172 . 9 1 1 A 99 99 ARG N N 99 122.747 120.228 2.519 1
1 1173 . 9 1 1 A 100 100 ASP H H 100 8.387 8.454 -0.067 1
1 1174 . 9 1 1 A 100 100 ASP HA H 100 4.306 4.271 0.035 1
1 1177 . 9 1 1 A 100 100 ASP C C 100 179.110 178.365 0.745 1
1 1178 . 9 1 1 A 100 100 ASP CA C 100 57.475 57.656 -0.181 1
1 1179 . 9 1 1 A 100 100 ASP CB C 100 40.201 41.880 -1.679 1
1 1180 . 9 1 1 A 100 100 ASP N N 100 116.422 119.710 -3.288 1
1 1181 . 9 1 1 A 101 101 ASP H H 101 8.046 7.528 0.518 1
1 1182 . 9 1 1 A 101 101 ASP HA H 101 4.576 4.408 0.168 1
1 1185 . 9 1 1 A 101 101 ASP C C 101 177.751 178.684 -0.933 1
1 1186 . 9 1 1 A 101 101 ASP CA C 101 57.229 57.213 0.016 1
1 1187 . 9 1 1 A 101 101 ASP CB C 101 42.093 40.873 1.220 1
1 1188 . 9 1 1 A 101 101 ASP N N 101 120.742 119.309 1.433 1
1 1189 . 9 1 1 A 102 102 ALA H H 102 7.674 7.895 -0.221 1
1 1190 . 9 1 1 A 102 102 ALA HA H 102 4.084 4.180 -0.096 1
1 1194 . 9 1 1 A 102 102 ALA C C 102 179.609 179.926 -0.317 1
1 1195 . 9 1 1 A 102 102 ALA CA C 102 56.364 55.226 1.138 1
1 1196 . 9 1 1 A 102 102 ALA CB C 102 17.952 18.515 -0.563 1
1 1197 . 9 1 1 A 102 102 ALA N N 102 122.523 121.761 0.762 1
1 1198 . 9 1 1 A 103 103 ILE H H 103 8.499 8.433 0.066 1
1 1199 . 9 1 1 A 103 103 ILE HA H 103 3.681 3.674 0.007 1
1 1209 . 9 1 1 A 103 103 ILE C C 103 178.622 178.132 0.490 1
1 1210 . 9 1 1 A 103 103 ILE CA C 103 64.182 65.403 -1.221 1
1 1211 . 9 1 1 A 103 103 ILE CB C 103 37.240 37.430 -0.190 1
1 1215 . 9 1 1 A 103 103 ILE N N 103 117.417 118.244 -0.827 1
1 1216 . 9 1 1 A 104 104 ALA H H 104 8.174 8.144 0.030 1
1 1217 . 9 1 1 A 104 104 ALA HA H 104 4.095 3.972 0.123 1
1 1221 . 9 1 1 A 104 104 ALA C C 104 181.998 180.358 1.640 1
1 1222 . 9 1 1 A 104 104 ALA CA C 104 55.517 55.170 0.347 1
1 1223 . 9 1 1 A 104 104 ALA CB C 104 17.294 18.482 -1.188 1
1 1224 . 9 1 1 A 104 104 ALA N N 104 124.916 121.958 2.958 1
1 1225 . 9 1 1 A 105 105 TRP H H 105 8.365 7.995 0.370 1
1 1226 . 9 1 1 A 105 105 TRP HA H 105 4.025 4.384 -0.359 1
1 1235 . 9 1 1 A 105 105 TRP C C 105 177.969 178.614 -0.645 1
1 1236 . 9 1 1 A 105 105 TRP CA C 105 62.011 60.029 1.982 1
1 1237 . 9 1 1 A 105 105 TRP CB C 105 29.179 28.985 0.194 1
1 1243 . 9 1 1 A 105 105 TRP N N 105 119.726 118.141 1.585 1
1 1245 . 9 1 1 A 106 106 LYS H H 106 8.746 8.088 0.658 1
1 1246 . 9 1 1 A 106 106 LYS HA H 106 3.805 4.113 -0.308 1
1 1255 . 9 1 1 A 106 106 LYS C C 106 177.626 179.220 -1.594 1
1 1256 . 9 1 1 A 106 106 LYS CA C 106 60.865 59.654 1.211 1
1 1257 . 9 1 1 A 106 106 LYS CB C 106 31.606 31.998 -0.392 1
1 1261 . 9 1 1 A 106 106 LYS N N 106 120.565 120.171 0.394 1
1 1262 . 9 1 1 A 107 107 THR H H 107 8.714 7.973 0.741 1
1 1263 . 9 1 1 A 107 107 THR HA H 107 3.774 3.855 -0.081 1
1 1268 . 9 1 1 A 107 107 THR C C 107 176.238 175.944 0.294 1
1 1269 . 9 1 1 A 107 107 THR CA C 107 66.688 66.748 -0.060 1
1 1270 . 9 1 1 A 107 107 THR CB C 107 69.065 68.605 0.460 1
1 1272 . 9 1 1 A 107 107 THR N N 107 115.018 117.475 -2.457 1
1 1273 . 9 1 1 A 108 108 ALA H H 108 7.769 8.321 -0.552 1
1 1274 . 9 1 1 A 108 108 ALA HA H 108 4.094 4.052 0.042 1
1 1278 . 9 1 1 A 108 108 ALA C C 108 180.611 180.329 0.282 1
1 1279 . 9 1 1 A 108 108 ALA CA C 108 55.005 55.076 -0.071 1
1 1280 . 9 1 1 A 108 108 ALA CB C 108 18.015 18.155 -0.140 1
1 1281 . 9 1 1 A 108 108 ALA N N 108 123.150 123.526 -0.376 1
1 1282 . 9 1 1 A 109 109 LEU H H 109 8.795 8.309 0.486 1
1 1283 . 9 1 1 A 109 109 LEU HA H 109 4.045 4.072 -0.027 1
1 1293 . 9 1 1 A 109 109 LEU C C 109 178.758 179.115 -0.357 1
1 1294 . 9 1 1 A 109 109 LEU CA C 109 58.093 57.964 0.129 1
1 1295 . 9 1 1 A 109 109 LEU CB C 109 42.298 42.164 0.134 1
1 1299 . 9 1 1 A 109 109 LEU N N 109 118.714 120.406 -1.692 1
1 1300 . 9 1 1 A 110 110 MET H H 110 8.582 8.387 0.195 1
1 1301 . 9 1 1 A 110 110 MET HA H 110 4.404 4.059 0.345 1
1 1309 . 9 1 1 A 110 110 MET C C 110 180.290 178.987 1.303 1
1 1310 . 9 1 1 A 110 110 MET CA C 110 56.876 59.008 -2.132 1
1 1311 . 9 1 1 A 110 110 MET CB C 110 30.002 32.487 -2.485 1
1 1314 . 9 1 1 A 110 110 MET N N 110 117.122 116.706 0.416 1
1 1315 . 9 1 1 A 111 111 GLU H H 111 8.062 8.144 -0.082 1
1 1316 . 9 1 1 A 111 111 GLU HA H 111 4.126 4.043 0.083 1
1 1321 . 9 1 1 A 111 111 GLU C C 111 179.237 178.619 0.618 1
1 1322 . 9 1 1 A 111 111 GLU CA C 111 59.435 58.945 0.490 1
1 1323 . 9 1 1 A 111 111 GLU CB C 111 29.015 29.416 -0.401 1
1 1325 . 9 1 1 A 111 111 GLU N N 111 121.532 118.560 2.972 1
1 1326 . 9 1 1 A 112 112 ALA H H 112 7.975 7.681 0.294 1
1 1327 . 9 1 1 A 112 112 ALA HA H 112 4.265 4.055 0.210 1
1 1331 . 9 1 1 A 112 112 ALA C C 112 179.608 179.787 -0.179 1
1 1332 . 9 1 1 A 112 112 ALA CA C 112 54.158 54.868 -0.710 1
1 1333 . 9 1 1 A 112 112 ALA CB C 112 19.530 18.488 1.042 1
1 1334 . 9 1 1 A 112 112 ALA N N 112 121.838 122.529 -0.691 1
1 1335 . 9 1 1 A 113 113 ASN H H 113 8.115 8.523 -0.408 1
1 1336 . 9 1 1 A 113 113 ASN HA H 113 4.822 4.677 0.145 1
1 1341 . 9 1 1 A 113 113 ASN C C 113 176.296 176.023 0.273 1
1 1342 . 9 1 1 A 113 113 ASN CA C 113 56.311 56.201 0.110 1
1 1343 . 9 1 1 A 113 113 ASN CB C 113 40.283 38.941 1.342 1
1 1344 . 9 1 1 A 113 113 ASN N N 113 115.563 118.137 -2.574 1
1 1346 . 9 1 1 A 114 114 SER H H 114 7.365 7.633 -0.268 1
1 1347 . 9 1 1 A 114 114 SER HA H 114 4.545 4.117 0.428 1
1 1350 . 9 1 1 A 114 114 SER C C 114 174.126 172.444 1.682 1
1 1351 . 9 1 1 A 114 114 SER CA C 114 58.464 57.381 1.083 1
1 1352 . 9 1 1 A 114 114 SER CB C 114 64.400 62.967 1.433 1
1 1353 . 9 1 1 A 114 114 SER N N 114 108.652 111.268 -2.616 1
1 1354 . 9 1 1 A 115 115 THR H H 115 7.849 7.261 0.588 1
1 1355 . 9 1 1 A 115 115 THR HA H 115 4.599 4.864 -0.265 1
1 1360 . 9 1 1 A 115 115 THR C C 115 172.337 172.267 0.070 1
1 1361 . 9 1 1 A 115 115 THR CA C 115 60.817 59.147 1.670 1
1 1362 . 9 1 1 A 115 115 THR CB C 115 70.016 71.814 -1.798 1
1 1364 . 9 1 1 A 115 115 THR N N 115 118.885 115.453 3.432 1
1 1365 . 9 1 1 A 116 116 PRO HA H 116 4.404 4.656 -0.252 1
1 1372 . 9 1 1 A 116 116 PRO CA C 116 63.007 62.440 0.567 1
1 1373 . 9 1 1 A 116 116 PRO CB C 116 32.346 33.446 -1.100 1
1 1376 . 9 1 1 A 117 117 ALA H H 117 8.429 8.068 0.361 1
1 1377 . 9 1 1 A 117 117 ALA HA H 117 4.535 4.621 -0.086 1
1 1381 . 9 1 1 A 117 117 ALA CA C 117 50.359 50.190 0.169 1
1 1382 . 9 1 1 A 117 117 ALA CB C 117 18.069 22.208 -4.139 1
1 1383 . 9 1 1 A 117 117 ALA N N 117 125.693 120.901 4.792 1
1 1384 . 9 1 1 A 118 118 PRO HA H 118 4.377 4.468 -0.091 1
1 1391 . 9 1 1 A 118 118 PRO C C 118 176.656 177.467 -0.811 1
1 1392 . 9 1 1 A 118 118 PRO CA C 118 63.105 63.983 -0.878 1
1 1393 . 9 1 1 A 118 118 PRO CB C 118 31.935 32.068 -0.133 1
1 1396 . 9 1 1 A 119 119 ALA H H 119 8.430 7.873 0.557 1
1 1397 . 9 1 1 A 119 119 ALA HA H 119 4.255 4.034 0.221 1
1 1401 . 9 1 1 A 119 119 ALA C C 119 178.416 178.167 0.249 1
1 1402 . 9 1 1 A 119 119 ALA CA C 119 52.744 55.028 -2.284 1
1 1403 . 9 1 1 A 119 119 ALA CB C 119 19.186 18.600 0.586 1
1 1404 . 9 1 1 A 119 119 ALA N N 119 124.565 120.409 4.156 1
1 1405 . 9 1 1 A 120 120 GLY H H 120 8.375 8.108 0.267 1
1 1406 . 9 1 1 A 120 120 GLY HA2 H 120 3.934 3.906 0.028 1
1 1407 . 9 1 1 A 120 120 GLY HA3 H 120 3.934 3.908 0.026 1
1 1408 . 9 1 1 A 120 120 GLY C C 120 173.810 173.951 -0.141 1
1 1409 . 9 1 1 A 120 120 GLY CA C 120 45.176 46.849 -1.673 1
1 1410 . 9 1 1 A 120 120 GLY N N 120 108.353 105.309 3.044 1
1 1411 . 9 1 1 A 121 121 ALA H H 121 8.116 7.797 0.319 1
1 1412 . 9 1 1 A 121 121 ALA HA H 121 4.379 4.898 -0.519 1
1 1416 . 9 1 1 A 121 121 ALA C C 121 177.908 175.439 2.469 1
1 1417 . 9 1 1 A 121 121 ALA CA C 121 52.446 51.523 0.923 1
1 1418 . 9 1 1 A 121 121 ALA CB C 121 19.433 23.255 -3.822 1
1 1419 . 9 1 1 A 121 121 ALA N N 121 123.561 121.541 2.020 1
1 1420 . 9 1 1 A 122 122 THR H H 122 8.212 8.612 -0.400 1
1 1421 . 9 1 1 A 122 122 THR C C 122 174.317 173.360 0.957 1
1 1422 . 9 1 1 A 122 122 THR CA C 122 61.888 61.470 0.418 1
1 1423 . 9 1 1 A 122 122 THR CB C 122 69.648 71.986 -2.338 1
1 1425 . 9 1 1 A 122 122 THR N N 122 114.319 114.604 -0.285 1
1 1426 . 9 1 1 A 123 123 VAL H H 123 8.222 8.611 -0.389 1
1 1427 . 9 1 1 A 123 123 VAL HA H 123 4.455 4.556 -0.101 1
1 1435 . 9 1 1 A 123 123 VAL C C 123 174.373 173.221 1.152 1
1 1436 . 9 1 1 A 123 123 VAL CA C 123 59.717 58.860 0.857 1
1 1437 . 9 1 1 A 123 123 VAL CB C 123 32.593 35.051 -2.458 1
1 1440 . 9 1 1 A 123 123 VAL N N 123 124.311 123.539 0.772 1
1 1441 . 9 1 1 A 124 124 PRO HA H 124 4.403 4.673 -0.270 1
1 1446 . 9 1 1 A 124 124 PRO C C 124 176.873 176.306 0.567 1
1 1447 . 9 1 1 A 124 124 PRO CA C 124 63.211 62.680 0.531 1
1 1448 . 9 1 1 A 124 124 PRO CB C 124 32.017 32.291 -0.274 1
1 1451 . 9 1 1 A 125 125 SER H H 125 8.426 8.503 -0.077 1
1 1452 . 9 1 1 A 125 125 SER HA H 125 4.448 4.939 -0.491 1
1 1455 . 9 1 1 A 125 125 SER C C 125 174.598 174.740 -0.142 1
1 1456 . 9 1 1 A 125 125 SER CA C 125 58.341 56.836 1.505 1
1 1457 . 9 1 1 A 125 125 SER CB C 125 64.054 64.021 0.033 1
1 1458 . 9 1 1 A 125 125 SER N N 125 116.463 115.391 1.072 1
1 1459 . 9 1 1 A 126 126 GLY H H 126 8.233 8.710 -0.477 1
1 1460 . 9 1 1 A 126 126 GLY C C 126 171.756 175.709 -3.953 1
1 1461 . 9 1 1 A 126 126 GLY CA C 126 44.611 46.982 -2.371 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.445 4.817 -0.372 1
1 4 . 10 1 1 A 6 6 SER C C 6 174.707 174.472 0.235 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.482 56.767 1.715 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.848 65.096 -1.248 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.494 8.914 -0.420 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 4.105 4.097 0.008 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 4.105 4.132 -0.027 1
1 10 . 10 1 1 A 7 7 GLY C C 7 172.961 174.153 -1.192 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.864 45.655 0.209 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.325 115.217 -4.892 1
1 13 . 10 1 1 A 8 8 LEU H H 8 8.295 7.896 0.399 1
1 14 . 10 1 1 A 8 8 LEU HA H 8 4.268 4.741 -0.473 1
1 24 . 10 1 1 A 8 8 LEU C C 8 176.773 175.894 0.879 1
1 25 . 10 1 1 A 8 8 LEU CA C 8 55.587 54.340 1.247 1
1 26 . 10 1 1 A 8 8 LEU CB C 8 43.367 43.319 0.048 1
1 30 . 10 1 1 A 8 8 LEU N N 8 123.800 122.972 0.828 1
1 31 . 10 1 1 A 9 9 VAL H H 9 9.290 9.050 0.240 1
1 32 . 10 1 1 A 9 9 VAL HA H 9 3.826 3.990 -0.164 1
1 40 . 10 1 1 A 9 9 VAL C C 9 176.540 175.910 0.630 1
1 41 . 10 1 1 A 9 9 VAL CA C 9 64.888 64.071 0.817 1
1 42 . 10 1 1 A 9 9 VAL CB C 9 32.264 32.270 -0.006 1
1 45 . 10 1 1 A 9 9 VAL N N 9 129.415 126.721 2.694 1
1 46 . 10 1 1 A 10 10 ARG H H 10 7.135 7.474 -0.339 1
1 47 . 10 1 1 A 10 10 ARG HA H 10 4.126 4.607 -0.481 1
1 55 . 10 1 1 A 10 10 ARG C C 10 171.942 174.624 -2.682 1
1 56 . 10 1 1 A 10 10 ARG CA C 10 55.800 55.337 0.463 1
1 57 . 10 1 1 A 10 10 ARG CB C 10 32.223 33.570 -1.347 1
1 60 . 10 1 1 A 10 10 ARG N N 10 117.246 117.373 -0.127 1
1 62 . 10 1 1 A 11 11 GLY H H 11 8.390 8.630 -0.240 1
1 63 . 10 1 1 A 11 11 GLY HA2 H 11 3.204 4.027 -0.823 1
1 64 . 10 1 1 A 11 11 GLY HA3 H 11 5.336 4.184 1.152 1
1 65 . 10 1 1 A 11 11 GLY C C 11 172.895 173.089 -0.194 1
1 66 . 10 1 1 A 11 11 GLY CA C 11 43.481 44.789 -1.308 1
1 67 . 10 1 1 A 11 11 GLY N N 11 113.527 111.807 1.720 1
1 68 . 10 1 1 A 12 12 GLY H H 12 7.935 8.283 -0.348 1
1 69 . 10 1 1 A 12 12 GLY C C 12 171.502 172.572 -1.070 1
1 70 . 10 1 1 A 12 12 GLY CA C 12 46.093 44.545 1.548 1
1 71 . 10 1 1 A 13 13 TRP H H 13 8.904 8.454 0.450 1
1 72 . 10 1 1 A 13 13 TRP HA H 13 5.205 5.593 -0.388 1
1 81 . 10 1 1 A 13 13 TRP C C 13 177.926 175.875 2.051 1
1 82 . 10 1 1 A 13 13 TRP CA C 13 57.846 57.135 0.711 1
1 83 . 10 1 1 A 13 13 TRP CB C 13 30.290 31.963 -1.673 1
1 89 . 10 1 1 A 13 13 TRP N N 13 121.758 120.764 0.994 1
1 91 . 10 1 1 A 14 14 LEU H H 14 9.295 8.452 0.843 1
1 92 . 10 1 1 A 14 14 LEU HA H 14 4.683 4.776 -0.093 1
1 102 . 10 1 1 A 14 14 LEU C C 14 175.828 176.398 -0.570 1
1 103 . 10 1 1 A 14 14 LEU CA C 14 54.670 53.682 0.988 1
1 104 . 10 1 1 A 14 14 LEU CB C 14 47.562 45.889 1.673 1
1 108 . 10 1 1 A 14 14 LEU N N 14 123.447 123.142 0.305 1
1 109 . 10 1 1 A 15 15 TRP H H 15 8.655 8.451 0.204 1
1 110 . 10 1 1 A 15 15 TRP HA H 15 5.315 5.009 0.306 1
1 119 . 10 1 1 A 15 15 TRP C C 15 175.899 176.017 -0.118 1
1 120 . 10 1 1 A 15 15 TRP CA C 15 57.159 58.099 -0.940 1
1 121 . 10 1 1 A 15 15 TRP CB C 15 30.759 29.710 1.049 1
1 127 . 10 1 1 A 15 15 TRP N N 15 119.571 124.261 -4.690 1
1 129 . 10 1 1 A 16 16 ARG H H 16 10.145 9.612 0.533 1
1 130 . 10 1 1 A 16 16 ARG HA H 16 5.495 5.338 0.157 1
1 138 . 10 1 1 A 16 16 ARG C C 16 174.930 175.453 -0.523 1
1 139 . 10 1 1 A 16 16 ARG CA C 16 54.334 54.246 0.088 1
1 140 . 10 1 1 A 16 16 ARG CB C 16 34.808 33.399 1.409 1
1 143 . 10 1 1 A 16 16 ARG N N 16 121.997 125.927 -3.930 1
1 145 . 10 1 1 A 17 17 GLN H H 17 8.233 8.352 -0.119 1
1 146 . 10 1 1 A 17 17 GLN HA H 17 3.797 4.188 -0.391 1
1 153 . 10 1 1 A 17 17 GLN C C 17 175.654 175.521 0.133 1
1 154 . 10 1 1 A 17 17 GLN CA C 17 55.446 54.537 0.909 1
1 155 . 10 1 1 A 17 17 GLN CB C 17 29.056 29.413 -0.357 1
1 157 . 10 1 1 A 17 17 GLN N N 17 128.414 127.573 0.841 1
1 159 . 10 1 1 A 18 18 SER H H 18 8.635 8.600 0.035 1
1 160 . 10 1 1 A 18 18 SER HA H 18 4.575 4.593 -0.018 1
1 163 . 10 1 1 A 18 18 SER C C 18 175.585 174.455 1.130 1
1 164 . 10 1 1 A 18 18 SER CA C 18 57.246 57.819 -0.573 1
1 165 . 10 1 1 A 18 18 SER CB C 18 64.012 64.954 -0.942 1
1 166 . 10 1 1 A 18 18 SER N N 18 122.600 119.403 3.197 1
1 167 . 10 1 1 A 20 20 ILE H H 20 7.976 7.914 0.062 1
1 168 . 10 1 1 A 20 20 ILE HA H 20 4.036 4.494 -0.458 1
1 178 . 10 1 1 A 20 20 ILE C C 20 176.929 177.330 -0.401 1
1 179 . 10 1 1 A 20 20 ILE CA C 20 62.929 61.981 0.948 1
1 180 . 10 1 1 A 20 20 ILE CB C 20 37.912 40.708 -2.796 1
1 184 . 10 1 1 A 20 20 ILE N N 20 120.700 121.841 -1.141 1
1 185 . 10 1 1 A 21 21 LEU H H 21 8.089 7.702 0.387 1
1 186 . 10 1 1 A 21 21 LEU HA H 21 4.159 4.275 -0.116 1
1 196 . 10 1 1 A 21 21 LEU C C 21 176.455 176.064 0.391 1
1 197 . 10 1 1 A 21 21 LEU CA C 21 55.287 56.298 -1.011 1
1 198 . 10 1 1 A 21 21 LEU CB C 21 42.051 42.737 -0.686 1
1 202 . 10 1 1 A 21 21 LEU N N 21 119.540 122.252 -2.712 1
1 203 . 10 1 1 A 22 22 ARG H H 22 7.687 7.763 -0.076 1
1 204 . 10 1 1 A 22 22 ARG HA H 22 3.806 3.726 0.080 1
1 211 . 10 1 1 A 22 22 ARG C C 22 175.087 174.486 0.601 1
1 212 . 10 1 1 A 22 22 ARG CA C 22 56.788 57.147 -0.359 1
1 213 . 10 1 1 A 22 22 ARG CB C 22 27.130 27.444 -0.314 1
1 216 . 10 1 1 A 22 22 ARG N N 22 114.383 116.610 -2.227 1
1 217 . 10 1 1 A 23 23 ARG H H 23 7.392 7.800 -0.408 1
1 218 . 10 1 1 A 23 23 ARG HA H 23 4.603 4.794 -0.191 1
1 225 . 10 1 1 A 23 23 ARG C C 23 176.112 174.988 1.124 1
1 226 . 10 1 1 A 23 23 ARG CA C 23 54.846 54.287 0.559 1
1 227 . 10 1 1 A 23 23 ARG CB C 23 32.387 34.113 -1.726 1
1 230 . 10 1 1 A 23 23 ARG N N 23 115.846 117.114 -1.268 1
1 231 . 10 1 1 A 24 24 TRP H H 24 9.013 8.646 0.367 1
1 232 . 10 1 1 A 24 24 TRP HA H 24 5.154 5.203 -0.049 1
1 241 . 10 1 1 A 24 24 TRP C C 24 176.347 176.561 -0.214 1
1 242 . 10 1 1 A 24 24 TRP CA C 24 57.546 57.893 -0.347 1
1 243 . 10 1 1 A 24 24 TRP CB C 24 31.112 30.777 0.335 1
1 249 . 10 1 1 A 24 24 TRP N N 24 123.861 122.087 1.774 1
1 251 . 10 1 1 A 25 25 LYS H H 25 9.553 9.935 -0.382 1
1 252 . 10 1 1 A 25 25 LYS HA H 25 4.992 5.503 -0.511 1
1 261 . 10 1 1 A 25 25 LYS C C 25 173.887 175.472 -1.585 1
1 262 . 10 1 1 A 25 25 LYS CA C 25 55.023 54.927 0.096 1
1 263 . 10 1 1 A 25 25 LYS CB C 25 35.965 36.376 -0.411 1
1 267 . 10 1 1 A 25 25 LYS N N 25 123.241 119.625 3.616 1
1 268 . 10 1 1 A 26 26 ARG H H 26 8.705 8.660 0.045 1
1 269 . 10 1 1 A 26 26 ARG HA H 26 4.494 4.202 0.292 1
1 276 . 10 1 1 A 26 26 ARG C C 26 175.755 175.953 -0.198 1
1 277 . 10 1 1 A 26 26 ARG CA C 26 56.046 56.290 -0.244 1
1 278 . 10 1 1 A 26 26 ARG CB C 26 30.783 30.730 0.053 1
1 281 . 10 1 1 A 26 26 ARG N N 26 124.843 122.673 2.170 1
1 282 . 10 1 1 A 27 27 ASN H H 27 9.100 8.444 0.656 1
1 283 . 10 1 1 A 27 27 ASN HA H 27 5.235 5.185 0.050 1
1 288 . 10 1 1 A 27 27 ASN CA C 27 54.041 51.456 2.585 1
1 289 . 10 1 1 A 27 27 ASN CB C 27 46.737 43.466 3.271 1
1 290 . 10 1 1 A 27 27 ASN N N 27 123.044 120.636 2.408 1
1 292 . 10 1 1 A 28 28 TRP H H 28 7.835 7.937 -0.102 1
1 293 . 10 1 1 A 28 28 TRP HA H 28 4.105 4.947 -0.842 1
1 299 . 10 1 1 A 28 28 TRP N N 28 122.540 123.339 -0.799 1
1 300 . 10 1 1 A 29 29 PHE H H 29 8.755 8.348 0.407 1
1 301 . 10 1 1 A 29 29 PHE HA H 29 5.001 4.815 0.186 1
1 309 . 10 1 1 A 29 29 PHE CA C 29 56.692 56.682 0.010 1
1 310 . 10 1 1 A 29 29 PHE CB C 29 42.284 40.973 1.311 1
1 316 . 10 1 1 A 29 29 PHE N N 29 129.716 126.170 3.546 1
1 317 . 10 1 1 A 30 30 ALA H H 30 8.695 8.088 0.607 1
1 321 . 10 1 1 A 30 30 ALA C C 30 173.958 174.686 -0.728 1
1 322 . 10 1 1 A 30 30 ALA CA C 30 50.611 50.870 -0.259 1
1 323 . 10 1 1 A 30 30 ALA CB C 30 22.570 21.894 0.676 1
1 324 . 10 1 1 A 31 31 LEU H H 31 8.815 8.001 0.814 1
1 325 . 10 1 1 A 31 31 LEU HA H 31 5.003 4.688 0.315 1
1 335 . 10 1 1 A 31 31 LEU C C 31 174.414 174.319 0.095 1
1 336 . 10 1 1 A 31 31 LEU CA C 31 53.240 53.688 -0.448 1
1 337 . 10 1 1 A 31 31 LEU CB C 31 44.783 44.676 0.107 1
1 341 . 10 1 1 A 31 31 LEU N N 31 124.610 124.447 0.163 1
1 342 . 10 1 1 A 32 32 TRP H H 32 9.045 8.566 0.479 1
1 343 . 10 1 1 A 32 32 TRP HA H 32 5.499 5.480 0.019 1
1 352 . 10 1 1 A 32 32 TRP C C 32 178.871 177.109 1.762 1
1 353 . 10 1 1 A 32 32 TRP CA C 32 55.552 55.833 -0.281 1
1 354 . 10 1 1 A 32 32 TRP CB C 32 32.346 32.187 0.159 1
1 360 . 10 1 1 A 32 32 TRP N N 32 128.500 126.834 1.666 1
1 362 . 10 1 1 A 33 33 LEU H H 33 9.246 9.232 0.014 1
1 363 . 10 1 1 A 33 33 LEU HA H 33 4.075 4.091 -0.016 1
1 373 . 10 1 1 A 33 33 LEU C C 33 176.859 178.379 -1.520 1
1 374 . 10 1 1 A 33 33 LEU CA C 33 57.035 57.666 -0.631 1
1 375 . 10 1 1 A 33 33 LEU CB C 33 42.651 41.568 1.083 1
1 379 . 10 1 1 A 33 33 LEU N N 33 123.838 125.923 -2.085 1
1 380 . 10 1 1 A 34 34 ASP H H 34 7.536 8.100 -0.564 1
1 381 . 10 1 1 A 34 34 ASP HA H 34 4.395 4.573 -0.178 1
1 384 . 10 1 1 A 34 34 ASP C C 34 177.113 176.465 0.648 1
1 385 . 10 1 1 A 34 34 ASP CA C 34 53.805 54.146 -0.341 1
1 386 . 10 1 1 A 34 34 ASP CB C 34 39.625 41.034 -1.409 1
1 387 . 10 1 1 A 34 34 ASP N N 34 115.948 116.710 -0.762 1
1 388 . 10 1 1 A 35 35 GLY H H 35 8.264 8.982 -0.718 1
1 389 . 10 1 1 A 35 35 GLY HA2 H 35 4.205 4.008 0.197 1
1 390 . 10 1 1 A 35 35 GLY HA3 H 35 3.895 4.025 -0.130 1
1 391 . 10 1 1 A 35 35 GLY C C 35 173.898 173.746 0.152 1
1 392 . 10 1 1 A 35 35 GLY CA C 35 46.216 46.678 -0.462 1
1 393 . 10 1 1 A 35 35 GLY N N 35 106.508 109.479 -2.971 1
1 394 . 10 1 1 A 36 36 THR H H 36 8.035 7.670 0.365 1
1 395 . 10 1 1 A 36 36 THR HA H 36 5.123 5.078 0.045 1
1 400 . 10 1 1 A 36 36 THR C C 36 170.669 172.599 -1.930 1
1 401 . 10 1 1 A 36 36 THR CA C 36 60.588 59.830 0.758 1
1 402 . 10 1 1 A 36 36 THR CB C 36 72.314 72.371 -0.057 1
1 404 . 10 1 1 A 36 36 THR N N 36 112.047 109.462 2.585 1
1 405 . 10 1 1 A 37 37 LEU H H 37 9.344 9.377 -0.033 1
1 406 . 10 1 1 A 37 37 LEU HA H 37 5.616 4.990 0.626 1
1 416 . 10 1 1 A 37 37 LEU C C 37 175.787 175.397 0.390 1
1 417 . 10 1 1 A 37 37 LEU CA C 37 52.799 53.702 -0.903 1
1 418 . 10 1 1 A 37 37 LEU CB C 37 46.698 43.867 2.831 1
1 422 . 10 1 1 A 37 37 LEU N N 37 122.915 126.941 -4.026 1
1 423 . 10 1 1 A 38 38 GLY H H 38 9.685 8.592 1.093 1
1 424 . 10 1 1 A 38 38 GLY HA2 H 38 5.074 3.950 1.124 1
1 425 . 10 1 1 A 38 38 GLY HA3 H 38 3.825 4.225 -0.400 1
1 426 . 10 1 1 A 38 38 GLY C C 38 172.258 172.201 0.057 1
1 427 . 10 1 1 A 38 38 GLY CA C 38 43.676 44.270 -0.594 1
1 428 . 10 1 1 A 38 38 GLY N N 38 113.092 114.121 -1.029 1
1 429 . 10 1 1 A 39 39 TYR H H 39 7.362 7.441 -0.079 1
1 430 . 10 1 1 A 39 39 TYR HA H 39 5.251 5.612 -0.361 1
1 437 . 10 1 1 A 39 39 TYR C C 39 175.367 174.038 1.329 1
1 438 . 10 1 1 A 39 39 TYR CA C 39 54.282 54.841 -0.559 1
1 439 . 10 1 1 A 39 39 TYR CB C 39 37.774 41.084 -3.310 1
1 444 . 10 1 1 A 39 39 TYR N N 39 113.951 119.890 -5.939 1
1 445 . 10 1 1 A 40 40 TYR H H 40 9.315 8.741 0.574 1
1 446 . 10 1 1 A 40 40 TYR HA H 40 5.305 4.886 0.419 1
1 453 . 10 1 1 A 40 40 TYR C C 40 177.694 176.275 1.419 1
1 454 . 10 1 1 A 40 40 TYR CA C 40 57.185 56.549 0.636 1
1 455 . 10 1 1 A 40 40 TYR CB C 40 43.779 42.426 1.353 1
1 460 . 10 1 1 A 40 40 TYR N N 40 117.930 119.168 -1.238 1
1 461 . 10 1 1 A 41 41 HIS H H 41 8.658 8.941 -0.283 1
1 462 . 10 1 1 A 41 41 HIS HA H 41 4.654 4.146 0.508 1
1 467 . 10 1 1 A 41 41 HIS C C 41 174.858 175.221 -0.363 1
1 468 . 10 1 1 A 41 41 HIS CA C 41 59.159 59.416 -0.257 1
1 469 . 10 1 1 A 41 41 HIS CB C 41 31.094 30.021 1.073 1
1 472 . 10 1 1 A 41 41 HIS N N 41 121.927 122.374 -0.447 1
1 473 . 10 1 1 A 42 42 ASP H H 42 8.095 8.228 -0.133 1
1 474 . 10 1 1 A 42 42 ASP HA H 42 4.795 4.917 -0.122 1
1 477 . 10 1 1 A 42 42 ASP C C 42 175.052 177.167 -2.115 1
1 478 . 10 1 1 A 42 42 ASP CA C 42 53.155 51.979 1.176 1
1 479 . 10 1 1 A 42 42 ASP CB C 42 41.860 42.243 -0.383 1
1 480 . 10 1 1 A 42 42 ASP N N 42 112.020 115.880 -3.860 1
1 481 . 10 1 1 A 43 43 GLU H H 43 8.899 8.764 0.135 1
1 482 . 10 1 1 A 43 43 GLU C C 43 176.336 174.817 1.519 1
1 483 . 10 1 1 A 43 43 GLU CA C 43 57.021 56.422 0.599 1
1 484 . 10 1 1 A 43 43 GLU CB C 43 27.493 28.255 -0.762 1
1 485 . 10 1 1 A 43 43 GLU N N 43 116.402 117.632 -1.230 1
1 486 . 10 1 1 A 44 44 THR H H 44 8.093 7.181 0.912 1
1 487 . 10 1 1 A 44 44 THR HA H 44 3.915 4.505 -0.590 1
1 492 . 10 1 1 A 44 44 THR CA C 44 63.143 60.054 3.089 1
1 493 . 10 1 1 A 44 44 THR CB C 44 69.620 71.369 -1.749 1
1 495 . 10 1 1 A 44 44 THR N N 44 111.376 110.176 1.200 1
1 496 . 10 1 1 A 45 45 ALA H H 45 7.815 8.640 -0.825 1
1 497 . 10 1 1 A 45 45 ALA HA H 45 3.430 3.590 -0.160 1
1 501 . 10 1 1 A 45 45 ALA C C 45 175.091 176.440 -1.349 1
1 502 . 10 1 1 A 45 45 ALA CA C 45 53.434 51.571 1.863 1
1 503 . 10 1 1 A 45 45 ALA CB C 45 15.567 17.875 -2.308 1
1 504 . 10 1 1 A 46 46 GLN H H 46 7.869 8.520 -0.651 1
1 505 . 10 1 1 A 46 46 GLN HA H 46 4.238 4.609 -0.371 1
1 512 . 10 1 1 A 46 46 GLN C C 46 176.190 175.204 0.986 1
1 513 . 10 1 1 A 46 46 GLN CA C 46 56.929 56.683 0.246 1
1 514 . 10 1 1 A 46 46 GLN CB C 46 30.454 31.784 -1.330 1
1 516 . 10 1 1 A 46 46 GLN N N 46 115.953 122.764 -6.811 1
1 518 . 10 1 1 A 47 47 ASP H H 47 8.326 8.551 -0.225 1
1 519 . 10 1 1 A 47 47 ASP HA H 47 4.954 4.851 0.103 1
1 522 . 10 1 1 A 47 47 ASP C C 47 173.846 175.321 -1.475 1
1 523 . 10 1 1 A 47 47 ASP CA C 47 52.993 52.791 0.202 1
1 524 . 10 1 1 A 47 47 ASP CB C 47 41.558 41.131 0.427 1
1 525 . 10 1 1 A 47 47 ASP N N 47 119.830 119.884 -0.054 1
1 526 . 10 1 1 A 48 48 GLU H H 48 8.756 8.818 -0.062 1
1 527 . 10 1 1 A 48 48 GLU HA H 48 3.785 4.058 -0.273 1
1 532 . 10 1 1 A 48 48 GLU C C 48 175.892 176.212 -0.320 1
1 533 . 10 1 1 A 48 48 GLU CA C 48 56.470 57.344 -0.874 1
1 534 . 10 1 1 A 48 48 GLU CB C 48 32.264 30.665 1.599 1
1 536 . 10 1 1 A 48 48 GLU N N 48 125.923 125.225 0.698 1
1 537 . 10 1 1 A 49 49 GLU H H 49 8.945 8.600 0.345 1
1 538 . 10 1 1 A 49 49 GLU HA H 49 4.164 4.236 -0.072 1
1 543 . 10 1 1 A 49 49 GLU C C 49 176.040 175.115 0.925 1
1 544 . 10 1 1 A 49 49 GLU CA C 49 58.447 57.717 0.730 1
1 545 . 10 1 1 A 49 49 GLU CB C 49 30.207 30.761 -0.554 1
1 547 . 10 1 1 A 49 49 GLU N N 49 129.751 127.358 2.393 1
1 548 . 10 1 1 A 50 50 ASP H H 50 6.736 7.112 -0.376 1
1 549 . 10 1 1 A 50 50 ASP HA H 50 4.355 4.838 -0.483 1
1 552 . 10 1 1 A 50 50 ASP C C 50 172.562 173.354 -0.792 1
1 553 . 10 1 1 A 50 50 ASP CA C 50 52.729 53.164 -0.435 1
1 554 . 10 1 1 A 50 50 ASP CB C 50 43.737 44.248 -0.511 1
1 555 . 10 1 1 A 50 50 ASP N N 50 113.574 116.426 -2.852 1
1 556 . 10 1 1 A 51 51 ARG H H 51 8.532 8.506 0.026 1
1 557 . 10 1 1 A 51 51 ARG HA H 51 5.005 4.784 0.221 1
1 565 . 10 1 1 A 51 51 ARG C C 51 174.656 174.481 0.175 1
1 566 . 10 1 1 A 51 51 ARG CA C 51 55.605 55.468 0.137 1
1 567 . 10 1 1 A 51 51 ARG CB C 51 33.520 34.131 -0.611 1
1 570 . 10 1 1 A 51 51 ARG N N 51 117.888 122.182 -4.294 1
1 572 . 10 1 1 A 52 52 VAL H H 52 9.155 8.983 0.172 1
1 573 . 10 1 1 A 52 52 VAL HA H 52 4.616 4.903 -0.287 1
1 581 . 10 1 1 A 52 52 VAL C C 52 174.710 175.197 -0.487 1
1 582 . 10 1 1 A 52 52 VAL CA C 52 59.382 59.401 -0.019 1
1 583 . 10 1 1 A 52 52 VAL CB C 52 35.266 35.019 0.247 1
1 586 . 10 1 1 A 52 52 VAL N N 52 121.629 120.950 0.679 1
1 587 . 10 1 1 A 53 53 VAL H H 53 8.956 9.020 -0.064 1
1 588 . 10 1 1 A 53 53 VAL HA H 53 3.745 4.108 -0.363 1
1 596 . 10 1 1 A 53 53 VAL C C 53 174.610 175.734 -1.124 1
1 597 . 10 1 1 A 53 53 VAL CA C 53 64.676 63.690 0.986 1
1 598 . 10 1 1 A 53 53 VAL CB C 53 32.305 32.202 0.103 1
1 601 . 10 1 1 A 53 53 VAL N N 53 125.547 125.205 0.342 1
1 602 . 10 1 1 A 54 54 ILE H H 54 8.705 8.898 -0.193 1
1 603 . 10 1 1 A 54 54 ILE HA H 54 4.324 4.294 0.030 1
1 613 . 10 1 1 A 54 54 ILE C C 54 176.747 176.411 0.336 1
1 614 . 10 1 1 A 54 54 ILE CA C 54 58.623 62.967 -4.344 1
1 615 . 10 1 1 A 54 54 ILE CB C 54 36.787 39.552 -2.765 1
1 619 . 10 1 1 A 54 54 ILE N N 54 126.147 126.513 -0.366 1
1 620 . 10 1 1 A 55 55 HIS H H 55 7.913 7.555 0.358 1
1 621 . 10 1 1 A 55 55 HIS HA H 55 4.626 4.240 0.386 1
1 626 . 10 1 1 A 55 55 HIS C C 55 174.365 175.690 -1.325 1
1 627 . 10 1 1 A 55 55 HIS CA C 55 57.917 57.252 0.665 1
1 628 . 10 1 1 A 55 55 HIS CB C 55 29.796 29.735 0.061 1
1 631 . 10 1 1 A 55 55 HIS N N 55 119.790 122.527 -2.737 1
1 632 . 10 1 1 A 56 56 PHE H H 56 9.382 8.899 0.483 1
1 633 . 10 1 1 A 56 56 PHE HA H 56 4.225 4.225 0.000 1
1 641 . 10 1 1 A 56 56 PHE C C 56 175.781 175.101 0.680 1
1 642 . 10 1 1 A 56 56 PHE CA C 56 57.593 58.322 -0.729 1
1 643 . 10 1 1 A 56 56 PHE CB C 56 36.664 36.215 0.449 1
1 649 . 10 1 1 A 56 56 PHE N N 56 124.614 122.987 1.627 1
1 650 . 10 1 1 A 57 57 ASN H H 57 8.755 7.802 0.953 1
1 651 . 10 1 1 A 57 57 ASN HA H 57 5.319 5.086 0.233 1
1 656 . 10 1 1 A 57 57 ASN C C 57 175.317 175.531 -0.214 1
1 657 . 10 1 1 A 57 57 ASN CA C 57 52.129 54.031 -1.902 1
1 658 . 10 1 1 A 57 57 ASN CB C 57 41.640 41.456 0.184 1
1 659 . 10 1 1 A 57 57 ASN N N 57 114.893 116.428 -1.535 1
1 661 . 10 1 1 A 58 58 VAL H H 58 8.606 7.519 1.087 1
1 662 . 10 1 1 A 58 58 VAL HA H 58 4.138 4.499 -0.361 1
1 670 . 10 1 1 A 58 58 VAL C C 58 175.486 176.110 -0.624 1
1 671 . 10 1 1 A 58 58 VAL CA C 58 63.035 63.455 -0.420 1
1 672 . 10 1 1 A 58 58 VAL CB C 58 32.733 31.468 1.265 1
1 675 . 10 1 1 A 58 58 VAL N N 58 121.476 119.033 2.443 1
1 676 . 10 1 1 A 59 59 ARG H H 59 9.233 9.285 -0.052 1
1 677 . 10 1 1 A 59 59 ARG HA H 59 4.184 4.273 -0.089 1
1 684 . 10 1 1 A 59 59 ARG C C 59 175.572 175.451 0.121 1
1 685 . 10 1 1 A 59 59 ARG CA C 59 58.093 57.759 0.334 1
1 686 . 10 1 1 A 59 59 ARG CB C 59 31.236 31.597 -0.361 1
1 689 . 10 1 1 A 59 59 ARG N N 59 128.965 129.697 -0.732 1
1 690 . 10 1 1 A 60 60 ASP H H 60 7.745 7.785 -0.040 1
1 691 . 10 1 1 A 60 60 ASP HA H 60 4.485 5.102 -0.617 1
1 694 . 10 1 1 A 60 60 ASP C C 60 173.047 174.137 -1.090 1
1 695 . 10 1 1 A 60 60 ASP CA C 60 53.911 53.478 0.433 1
1 696 . 10 1 1 A 60 60 ASP CB C 60 42.874 44.635 -1.761 1
1 697 . 10 1 1 A 60 60 ASP N N 60 113.170 116.314 -3.144 1
1 698 . 10 1 1 A 61 61 ILE H H 61 8.398 8.461 -0.063 1
1 699 . 10 1 1 A 61 61 ILE HA H 61 5.055 5.124 -0.069 1
1 709 . 10 1 1 A 61 61 ILE C C 61 174.897 174.351 0.546 1
1 710 . 10 1 1 A 61 61 ILE CA C 61 60.511 60.505 0.006 1
1 711 . 10 1 1 A 61 61 ILE CB C 61 41.558 41.004 0.554 1
1 715 . 10 1 1 A 61 61 ILE N N 61 118.375 120.666 -2.291 1
1 716 . 10 1 1 A 62 62 LYS H H 62 8.619 8.998 -0.379 1
1 717 . 10 1 1 A 62 62 LYS HA H 62 4.711 5.135 -0.424 1
1 726 . 10 1 1 A 62 62 LYS C C 62 174.636 175.905 -1.269 1
1 727 . 10 1 1 A 62 62 LYS CA C 62 53.947 55.021 -1.074 1
1 728 . 10 1 1 A 62 62 LYS CB C 62 35.677 34.991 0.686 1
1 732 . 10 1 1 A 62 62 LYS N N 62 128.701 127.046 1.655 1
1 733 . 10 1 1 A 63 63 VAL H H 63 8.946 8.725 0.221 1
1 734 . 10 1 1 A 63 63 VAL HA H 63 5.073 5.021 0.052 1
1 742 . 10 1 1 A 63 63 VAL C C 63 177.772 175.983 1.789 1
1 743 . 10 1 1 A 63 63 VAL CA C 63 59.734 60.824 -1.090 1
1 744 . 10 1 1 A 63 63 VAL CB C 63 36.210 35.007 1.203 1
1 747 . 10 1 1 A 63 63 VAL N N 63 120.053 121.950 -1.897 1
1 748 . 10 1 1 A 64 64 GLY H H 64 9.804 9.224 0.580 1
1 749 . 10 1 1 A 64 64 GLY HA2 H 64 4.415 3.932 0.483 1
1 750 . 10 1 1 A 64 64 GLY HA3 H 64 3.906 3.933 -0.027 1
1 751 . 10 1 1 A 64 64 GLY C C 64 176.864 175.227 1.637 1
1 752 . 10 1 1 A 64 64 GLY CA C 64 47.063 46.488 0.575 1
1 753 . 10 1 1 A 64 64 GLY N N 64 118.354 114.382 3.972 1
1 754 . 10 1 1 A 65 65 GLN H H 65 9.045 8.857 0.188 1
1 755 . 10 1 1 A 65 65 GLN HA H 65 3.944 4.052 -0.108 1
1 762 . 10 1 1 A 65 65 GLN C C 65 176.698 178.062 -1.364 1
1 763 . 10 1 1 A 65 65 GLN CA C 65 57.793 58.929 -1.136 1
1 764 . 10 1 1 A 65 65 GLN CB C 65 27.822 28.579 -0.757 1
1 766 . 10 1 1 A 65 65 GLN N N 65 124.600 124.427 0.173 1
1 768 . 10 1 1 A 66 66 GLU H H 66 7.886 8.086 -0.200 1
1 769 . 10 1 1 A 66 66 GLU HA H 66 4.145 4.068 0.077 1
1 774 . 10 1 1 A 66 66 GLU C C 66 178.049 176.859 1.190 1
1 775 . 10 1 1 A 66 66 GLU CA C 66 57.564 59.555 -1.991 1
1 776 . 10 1 1 A 66 66 GLU CB C 66 31.236 29.250 1.986 1
1 778 . 10 1 1 A 66 66 GLU N N 66 116.486 117.829 -1.343 1
1 779 . 10 1 1 A 67 67 CYS H H 67 8.015 7.833 0.182 1
1 780 . 10 1 1 A 67 67 CYS HA H 67 4.331 4.267 0.064 1
1 783 . 10 1 1 A 67 67 CYS C C 67 175.278 174.983 0.295 1
1 784 . 10 1 1 A 67 67 CYS CA C 67 58.817 59.969 -1.152 1
1 785 . 10 1 1 A 67 67 CYS CB C 67 26.342 28.516 -2.174 1
1 786 . 10 1 1 A 67 67 CYS N N 67 119.526 118.343 1.183 1
1 787 . 10 1 1 A 68 68 GLN H H 68 7.983 8.941 -0.958 1
1 788 . 10 1 1 A 68 68 GLN HA H 68 4.199 4.491 -0.292 1
1 795 . 10 1 1 A 68 68 GLN C C 68 175.866 176.448 -0.582 1
1 796 . 10 1 1 A 68 68 GLN CA C 68 56.399 57.331 -0.932 1
1 797 . 10 1 1 A 68 68 GLN CB C 68 29.837 30.957 -1.120 1
1 799 . 10 1 1 A 68 68 GLN N N 68 120.826 122.438 -1.612 1
1 801 . 10 1 1 A 69 69 ASP H H 69 8.755 8.228 0.527 1
1 802 . 10 1 1 A 69 69 ASP HA H 69 4.395 4.752 -0.357 1
1 805 . 10 1 1 A 69 69 ASP C C 69 174.652 176.271 -1.619 1
1 806 . 10 1 1 A 69 69 ASP CA C 69 54.546 53.416 1.130 1
1 807 . 10 1 1 A 69 69 ASP CB C 69 39.954 41.160 -1.206 1
1 808 . 10 1 1 A 69 69 ASP N N 69 117.691 115.276 2.415 1
1 809 . 10 1 1 A 70 70 VAL H H 70 7.245 7.323 -0.078 1
1 810 . 10 1 1 A 70 70 VAL HA H 70 4.173 4.164 0.009 1
1 818 . 10 1 1 A 70 70 VAL C C 70 173.502 175.285 -1.783 1
1 819 . 10 1 1 A 70 70 VAL CA C 70 60.502 62.669 -2.167 1
1 820 . 10 1 1 A 70 70 VAL CB C 70 34.397 32.314 2.083 1
1 823 . 10 1 1 A 70 70 VAL N N 70 116.632 121.824 -5.192 1
1 824 . 10 1 1 A 71 71 GLN H H 71 8.513 8.610 -0.097 1
1 825 . 10 1 1 A 71 71 GLN HA H 71 4.758 4.936 -0.178 1
1 832 . 10 1 1 A 71 71 GLN C C 71 173.404 174.074 -0.670 1
1 833 . 10 1 1 A 71 71 GLN CA C 71 52.093 52.427 -0.334 1
1 834 . 10 1 1 A 71 71 GLN CB C 71 29.467 29.325 0.142 1
1 836 . 10 1 1 A 71 71 GLN N N 71 125.361 127.114 -1.753 1
1 838 . 10 1 1 A 72 72 PRO HA H 72 3.955 4.487 -0.532 1
1 845 . 10 1 1 A 72 72 PRO CA C 72 61.219 61.615 -0.396 1
1 846 . 10 1 1 A 72 72 PRO CB C 72 30.548 31.666 -1.118 1
1 849 . 10 1 1 A 73 73 PRO HA H 73 3.584 4.228 -0.644 1
1 856 . 10 1 1 A 73 73 PRO C C 73 175.005 176.266 -1.261 1
1 857 . 10 1 1 A 73 73 PRO CA C 73 61.764 62.185 -0.421 1
1 858 . 10 1 1 A 73 73 PRO CB C 73 30.080 31.155 -1.075 1
1 861 . 10 1 1 A 74 74 GLU H H 74 8.066 8.524 -0.458 1
1 862 . 10 1 1 A 74 74 GLU HA H 74 3.766 3.865 -0.099 1
1 867 . 10 1 1 A 74 74 GLU C C 74 177.415 177.036 0.379 1
1 868 . 10 1 1 A 74 74 GLU CA C 74 58.005 58.151 -0.146 1
1 869 . 10 1 1 A 74 74 GLU CB C 74 29.340 29.211 0.129 1
1 871 . 10 1 1 A 74 74 GLU N N 74 120.425 122.263 -1.838 1
1 872 . 10 1 1 A 75 75 GLY H H 75 8.576 8.914 -0.338 1
1 873 . 10 1 1 A 75 75 GLY HA2 H 75 4.024 3.937 0.087 1
1 874 . 10 1 1 A 75 75 GLY HA3 H 75 3.568 3.955 -0.387 1
1 875 . 10 1 1 A 75 75 GLY C C 75 174.093 174.741 -0.648 1
1 876 . 10 1 1 A 75 75 GLY CA C 75 45.299 45.029 0.270 1
1 877 . 10 1 1 A 75 75 GLY N N 75 112.779 115.041 -2.262 1
1 878 . 10 1 1 A 76 76 ARG H H 76 7.791 7.738 0.053 1
1 879 . 10 1 1 A 76 76 ARG HA H 76 4.444 4.348 0.096 1
1 887 . 10 1 1 A 76 76 ARG C C 76 175.188 174.800 0.388 1
1 888 . 10 1 1 A 76 76 ARG CA C 76 54.617 55.940 -1.323 1
1 889 . 10 1 1 A 76 76 ARG CB C 76 31.030 32.240 -1.210 1
1 892 . 10 1 1 A 76 76 ARG N N 76 121.088 121.312 -0.224 1
1 894 . 10 1 1 A 77 77 SER H H 77 8.235 8.297 -0.062 1
1 895 . 10 1 1 A 77 77 SER HA H 77 4.405 4.862 -0.457 1
1 898 . 10 1 1 A 77 77 SER C C 77 176.069 174.075 1.994 1
1 899 . 10 1 1 A 77 77 SER CA C 77 56.805 55.828 0.977 1
1 900 . 10 1 1 A 77 77 SER CB C 77 64.136 65.985 -1.849 1
1 901 . 10 1 1 A 77 77 SER N N 77 113.991 115.608 -1.617 1
1 902 . 10 1 1 A 78 78 ARG H H 78 8.745 8.619 0.126 1
1 903 . 10 1 1 A 78 78 ARG HA H 78 3.774 4.283 -0.509 1
1 909 . 10 1 1 A 78 78 ARG C C 78 176.758 177.075 -0.317 1
1 910 . 10 1 1 A 78 78 ARG CA C 78 58.341 57.698 0.643 1
1 911 . 10 1 1 A 78 78 ARG CB C 78 30.043 30.035 0.008 1
1 914 . 10 1 1 A 78 78 ARG N N 78 122.262 125.624 -3.362 1
1 915 . 10 1 1 A 79 79 ASP H H 79 8.106 8.220 -0.114 1
1 916 . 10 1 1 A 79 79 ASP HA H 79 4.175 4.410 -0.235 1
1 919 . 10 1 1 A 79 79 ASP C C 79 175.579 177.934 -2.355 1
1 920 . 10 1 1 A 79 79 ASP CA C 79 57.159 56.227 0.932 1
1 921 . 10 1 1 A 79 79 ASP CB C 79 40.900 40.905 -0.005 1
1 922 . 10 1 1 A 79 79 ASP N N 79 115.963 118.666 -2.703 1
1 923 . 10 1 1 A 80 80 GLY H H 80 7.305 7.996 -0.691 1
1 924 . 10 1 1 A 80 80 GLY HA2 H 80 4.047 3.961 0.086 1
1 925 . 10 1 1 A 80 80 GLY HA3 H 80 3.387 3.982 -0.595 1
1 926 . 10 1 1 A 80 80 GLY C C 80 174.263 174.418 -0.155 1
1 927 . 10 1 1 A 80 80 GLY CA C 80 44.276 45.325 -1.049 1
1 928 . 10 1 1 A 80 80 GLY N N 80 101.592 107.434 -5.842 1
1 929 . 10 1 1 A 81 81 LEU H H 81 7.307 7.201 0.106 1
1 930 . 10 1 1 A 81 81 LEU HA H 81 4.494 4.203 0.291 1
1 940 . 10 1 1 A 81 81 LEU C C 81 176.212 176.394 -0.182 1
1 941 . 10 1 1 A 81 81 LEU CA C 81 56.346 55.848 0.498 1
1 942 . 10 1 1 A 81 81 LEU CB C 81 44.025 42.134 1.891 1
1 946 . 10 1 1 A 81 81 LEU N N 81 121.062 121.661 -0.599 1
1 947 . 10 1 1 A 82 82 LEU H H 82 8.286 8.841 -0.555 1
1 948 . 10 1 1 A 82 82 LEU HA H 82 5.260 5.184 0.076 1
1 958 . 10 1 1 A 82 82 LEU C C 82 175.122 174.821 0.301 1
1 959 . 10 1 1 A 82 82 LEU CA C 82 55.334 54.181 1.153 1
1 960 . 10 1 1 A 82 82 LEU CB C 82 46.064 45.896 0.168 1
1 964 . 10 1 1 A 82 82 LEU N N 82 118.524 127.291 -8.767 1
1 965 . 10 1 1 A 83 83 THR H H 83 9.095 8.993 0.102 1
1 966 . 10 1 1 A 83 83 THR HA H 83 5.305 5.324 -0.019 1
1 971 . 10 1 1 A 83 83 THR C C 83 173.754 173.461 0.293 1
1 972 . 10 1 1 A 83 83 THR CA C 83 61.076 61.600 -0.524 1
1 973 . 10 1 1 A 83 83 THR CB C 83 71.268 70.502 0.766 1
1 975 . 10 1 1 A 83 83 THR N N 83 120.894 122.750 -1.856 1
1 976 . 10 1 1 A 84 84 VAL H H 84 9.175 8.692 0.483 1
1 977 . 10 1 1 A 84 84 VAL HA H 84 4.205 4.697 -0.492 1
1 985 . 10 1 1 A 84 84 VAL C C 84 173.741 174.778 -1.037 1
1 986 . 10 1 1 A 84 84 VAL CA C 84 61.182 60.751 0.431 1
1 987 . 10 1 1 A 84 84 VAL CB C 84 32.921 34.376 -1.455 1
1 990 . 10 1 1 A 84 84 VAL N N 84 127.342 127.014 0.328 1
1 991 . 10 1 1 A 85 85 ASN H H 85 8.597 9.247 -0.650 1
1 992 . 10 1 1 A 85 85 ASN HA H 85 4.960 5.532 -0.572 1
1 997 . 10 1 1 A 85 85 ASN C C 85 174.440 174.122 0.318 1
1 998 . 10 1 1 A 85 85 ASN CA C 85 52.870 51.843 1.027 1
1 999 . 10 1 1 A 85 85 ASN CB C 85 39.214 41.110 -1.896 1
1 1000 . 10 1 1 A 85 85 ASN N N 85 125.999 125.309 0.690 1
1 1002 . 10 1 1 A 86 86 LEU H H 86 8.283 8.451 -0.168 1
1 1003 . 10 1 1 A 86 86 LEU HA H 86 5.176 5.063 0.113 1
1 1013 . 10 1 1 A 86 86 LEU C C 86 178.644 177.547 1.097 1
1 1014 . 10 1 1 A 86 86 LEU CA C 86 53.700 53.271 0.429 1
1 1015 . 10 1 1 A 86 86 LEU CB C 86 42.298 44.171 -1.873 1
1 1019 . 10 1 1 A 86 86 LEU N N 86 125.763 124.969 0.794 1
1 1020 . 10 1 1 A 87 87 ARG H H 87 8.655 8.993 -0.338 1
1 1021 . 10 1 1 A 87 87 ARG HA H 87 3.905 3.982 -0.077 1
1 1028 . 10 1 1 A 87 87 ARG C C 87 177.223 177.797 -0.574 1
1 1029 . 10 1 1 A 87 87 ARG CA C 87 59.717 59.782 -0.065 1
1 1030 . 10 1 1 A 87 87 ARG CB C 87 29.280 29.788 -0.508 1
1 1033 . 10 1 1 A 87 87 ARG N N 87 123.105 122.322 0.783 1
1 1034 . 10 1 1 A 88 88 GLU H H 88 8.525 7.895 0.630 1
1 1035 . 10 1 1 A 88 88 GLU HA H 88 4.515 4.239 0.276 1
1 1040 . 10 1 1 A 88 88 GLU C C 88 175.762 177.032 -1.270 1
1 1041 . 10 1 1 A 88 88 GLU CA C 88 55.852 55.921 -0.069 1
1 1042 . 10 1 1 A 88 88 GLU CB C 88 30.249 29.594 0.655 1
1 1044 . 10 1 1 A 88 88 GLU N N 88 117.722 115.413 2.309 1
1 1045 . 10 1 1 A 89 89 GLY H H 89 8.063 9.053 -0.990 1
1 1046 . 10 1 1 A 89 89 GLY HA2 H 89 3.735 3.939 -0.204 1
1 1047 . 10 1 1 A 89 89 GLY HA3 H 89 4.536 3.940 0.596 1
1 1048 . 10 1 1 A 89 89 GLY C C 89 173.864 173.525 0.339 1
1 1049 . 10 1 1 A 89 89 GLY CA C 89 44.222 46.569 -2.347 1
1 1050 . 10 1 1 A 89 89 GLY N N 89 110.616 111.744 -1.128 1
1 1051 . 10 1 1 A 90 90 SER H H 90 8.094 7.749 0.345 1
1 1052 . 10 1 1 A 90 90 SER HA H 90 4.484 4.846 -0.362 1
1 1055 . 10 1 1 A 90 90 SER C C 90 172.813 172.535 0.278 1
1 1056 . 10 1 1 A 90 90 SER CA C 90 58.552 57.604 0.948 1
1 1057 . 10 1 1 A 90 90 SER CB C 90 63.915 66.408 -2.493 1
1 1058 . 10 1 1 A 90 90 SER N N 90 116.620 114.418 2.202 1
1 1059 . 10 1 1 A 91 91 ARG H H 91 8.285 8.363 -0.078 1
1 1060 . 10 1 1 A 91 91 ARG HA H 91 4.725 5.105 -0.380 1
1 1067 . 10 1 1 A 91 91 ARG C C 91 175.511 175.469 0.042 1
1 1068 . 10 1 1 A 91 91 ARG CA C 91 55.870 55.671 0.199 1
1 1069 . 10 1 1 A 91 91 ARG CB C 91 32.058 31.411 0.647 1
1 1072 . 10 1 1 A 91 91 ARG N N 91 121.045 124.586 -3.541 1
1 1073 . 10 1 1 A 92 92 LEU H H 92 8.485 9.310 -0.825 1
1 1074 . 10 1 1 A 92 92 LEU HA H 92 4.555 4.979 -0.424 1
1 1084 . 10 1 1 A 92 92 LEU C C 92 174.815 175.284 -0.469 1
1 1085 . 10 1 1 A 92 92 LEU CA C 92 53.629 53.074 0.555 1
1 1086 . 10 1 1 A 92 92 LEU CB C 92 44.066 43.629 0.437 1
1 1090 . 10 1 1 A 92 92 LEU N N 92 123.633 124.214 -0.581 1
1 1091 . 10 1 1 A 93 93 HIS H H 93 8.871 9.158 -0.287 1
1 1092 . 10 1 1 A 93 93 HIS HA H 93 5.135 5.028 0.107 1
1 1097 . 10 1 1 A 93 93 HIS C C 93 173.251 174.532 -1.281 1
1 1098 . 10 1 1 A 93 93 HIS CA C 93 56.135 55.019 1.116 1
1 1099 . 10 1 1 A 93 93 HIS CB C 93 30.701 29.370 1.331 1
1 1101 . 10 1 1 A 93 93 HIS N N 93 124.492 123.786 0.706 1
1 1102 . 10 1 1 A 94 94 LEU H H 94 9.105 9.085 0.020 1
1 1103 . 10 1 1 A 94 94 LEU HA H 94 5.940 5.590 0.350 1
1 1113 . 10 1 1 A 94 94 LEU C C 94 177.396 175.573 1.823 1
1 1114 . 10 1 1 A 94 94 LEU CA C 94 52.552 53.569 -1.017 1
1 1115 . 10 1 1 A 94 94 LEU CB C 94 45.465 46.471 -1.006 1
1 1119 . 10 1 1 A 94 94 LEU N N 94 122.911 124.731 -1.820 1
1 1120 . 10 1 1 A 95 95 CYS H H 95 8.953 8.469 0.484 1
1 1121 . 10 1 1 A 95 95 CYS HA H 95 4.863 5.362 -0.499 1
1 1124 . 10 1 1 A 95 95 CYS C C 95 172.585 173.042 -0.457 1
1 1125 . 10 1 1 A 95 95 CYS CA C 95 59.964 57.710 2.254 1
1 1126 . 10 1 1 A 95 95 CYS CB C 95 29.220 31.816 -2.596 1
1 1127 . 10 1 1 A 95 95 CYS N N 95 118.920 119.956 -1.036 1
1 1128 . 10 1 1 A 96 96 ALA H H 96 9.465 8.620 0.845 1
1 1129 . 10 1 1 A 96 96 ALA HA H 96 5.035 4.753 0.282 1
1 1133 . 10 1 1 A 96 96 ALA C C 96 177.396 177.838 -0.442 1
1 1134 . 10 1 1 A 96 96 ALA CA C 96 50.205 50.100 0.105 1
1 1135 . 10 1 1 A 96 96 ALA CB C 96 21.571 22.351 -0.780 1
1 1136 . 10 1 1 A 96 96 ALA N N 96 132.924 125.383 7.541 1
1 1137 . 10 1 1 A 97 97 GLU H H 97 9.636 8.538 1.098 1
1 1138 . 10 1 1 A 97 97 GLU HA H 97 4.344 4.292 0.052 1
1 1143 . 10 1 1 A 97 97 GLU C C 97 176.882 176.655 0.227 1
1 1144 . 10 1 1 A 97 97 GLU CA C 97 58.040 59.202 -1.162 1
1 1145 . 10 1 1 A 97 97 GLU CB C 97 30.207 30.971 -0.764 1
1 1147 . 10 1 1 A 97 97 GLU N N 97 116.636 118.926 -2.290 1
1 1148 . 10 1 1 A 98 98 THR H H 98 7.155 7.689 -0.534 1
1 1149 . 10 1 1 A 98 98 THR HA H 98 4.684 4.669 0.015 1
1 1154 . 10 1 1 A 98 98 THR C C 98 174.259 174.840 -0.581 1
1 1155 . 10 1 1 A 98 98 THR CA C 98 58.323 59.782 -1.459 1
1 1156 . 10 1 1 A 98 98 THR CB C 98 73.529 72.655 0.874 1
1 1158 . 10 1 1 A 98 98 THR N N 98 102.167 111.658 -9.491 1
1 1159 . 10 1 1 A 99 99 ARG H H 99 9.025 8.845 0.180 1
1 1160 . 10 1 1 A 99 99 ARG HA H 99 4.056 4.051 0.005 1
1 1167 . 10 1 1 A 99 99 ARG C C 99 177.995 177.915 0.080 1
1 1168 . 10 1 1 A 99 99 ARG CA C 99 59.029 59.184 -0.155 1
1 1169 . 10 1 1 A 99 99 ARG CB C 99 30.208 29.863 0.345 1
1 1172 . 10 1 1 A 99 99 ARG N N 99 122.747 120.627 2.120 1
1 1173 . 10 1 1 A 100 100 ASP H H 100 8.387 8.285 0.102 1
1 1174 . 10 1 1 A 100 100 ASP HA H 100 4.306 4.316 -0.010 1
1 1177 . 10 1 1 A 100 100 ASP C C 100 179.110 177.898 1.212 1
1 1178 . 10 1 1 A 100 100 ASP CA C 100 57.475 57.334 0.141 1
1 1179 . 10 1 1 A 100 100 ASP CB C 100 40.201 41.202 -1.001 1
1 1180 . 10 1 1 A 100 100 ASP N N 100 116.422 119.734 -3.312 1
1 1181 . 10 1 1 A 101 101 ASP H H 101 8.046 8.255 -0.209 1
1 1182 . 10 1 1 A 101 101 ASP HA H 101 4.576 4.345 0.231 1
1 1185 . 10 1 1 A 101 101 ASP C C 101 177.751 178.544 -0.793 1
1 1186 . 10 1 1 A 101 101 ASP CA C 101 57.229 57.413 -0.184 1
1 1187 . 10 1 1 A 101 101 ASP CB C 101 42.093 40.497 1.596 1
1 1188 . 10 1 1 A 101 101 ASP N N 101 120.742 118.228 2.514 1
1 1189 . 10 1 1 A 102 102 ALA H H 102 7.674 7.670 0.004 1
1 1190 . 10 1 1 A 102 102 ALA HA H 102 4.084 4.172 -0.088 1
1 1194 . 10 1 1 A 102 102 ALA C C 102 179.609 180.030 -0.421 1
1 1195 . 10 1 1 A 102 102 ALA CA C 102 56.364 55.255 1.109 1
1 1196 . 10 1 1 A 102 102 ALA CB C 102 17.952 18.438 -0.486 1
1 1197 . 10 1 1 A 102 102 ALA N N 102 122.523 121.819 0.704 1
1 1198 . 10 1 1 A 103 103 ILE H H 103 8.499 8.264 0.235 1
1 1199 . 10 1 1 A 103 103 ILE HA H 103 3.681 3.668 0.013 1
1 1209 . 10 1 1 A 103 103 ILE C C 103 178.622 177.876 0.746 1
1 1210 . 10 1 1 A 103 103 ILE CA C 103 64.182 65.620 -1.438 1
1 1211 . 10 1 1 A 103 103 ILE CB C 103 37.240 38.265 -1.025 1
1 1215 . 10 1 1 A 103 103 ILE N N 103 117.417 117.931 -0.514 1
1 1216 . 10 1 1 A 104 104 ALA H H 104 8.174 8.766 -0.592 1
1 1217 . 10 1 1 A 104 104 ALA HA H 104 4.095 4.023 0.072 1
1 1221 . 10 1 1 A 104 104 ALA C C 104 181.998 179.796 2.202 1
1 1222 . 10 1 1 A 104 104 ALA CA C 104 55.517 55.228 0.289 1
1 1223 . 10 1 1 A 104 104 ALA CB C 104 17.294 18.585 -1.291 1
1 1224 . 10 1 1 A 104 104 ALA N N 104 124.916 121.262 3.654 1
1 1225 . 10 1 1 A 105 105 TRP H H 105 8.365 8.078 0.287 1
1 1226 . 10 1 1 A 105 105 TRP HA H 105 4.025 4.468 -0.443 1
1 1235 . 10 1 1 A 105 105 TRP C C 105 177.969 178.805 -0.836 1
1 1236 . 10 1 1 A 105 105 TRP CA C 105 62.011 59.980 2.031 1
1 1237 . 10 1 1 A 105 105 TRP CB C 105 29.179 28.781 0.398 1
1 1243 . 10 1 1 A 105 105 TRP N N 105 119.726 118.447 1.279 1
1 1245 . 10 1 1 A 106 106 LYS H H 106 8.746 7.971 0.775 1
1 1246 . 10 1 1 A 106 106 LYS HA H 106 3.805 4.147 -0.342 1
1 1255 . 10 1 1 A 106 106 LYS C C 106 177.626 178.844 -1.218 1
1 1256 . 10 1 1 A 106 106 LYS CA C 106 60.865 59.415 1.450 1
1 1257 . 10 1 1 A 106 106 LYS CB C 106 31.606 32.331 -0.725 1
1 1261 . 10 1 1 A 106 106 LYS N N 106 120.565 120.187 0.378 1
1 1262 . 10 1 1 A 107 107 THR H H 107 8.714 7.812 0.902 1
1 1263 . 10 1 1 A 107 107 THR HA H 107 3.774 3.872 -0.098 1
1 1268 . 10 1 1 A 107 107 THR C C 107 176.238 176.412 -0.174 1
1 1269 . 10 1 1 A 107 107 THR CA C 107 66.688 66.961 -0.273 1
1 1270 . 10 1 1 A 107 107 THR CB C 107 69.065 68.631 0.434 1
1 1272 . 10 1 1 A 107 107 THR N N 107 115.018 118.234 -3.216 1
1 1273 . 10 1 1 A 108 108 ALA H H 108 7.769 7.835 -0.066 1
1 1274 . 10 1 1 A 108 108 ALA HA H 108 4.094 4.099 -0.005 1
1 1278 . 10 1 1 A 108 108 ALA C C 108 180.611 179.809 0.802 1
1 1279 . 10 1 1 A 108 108 ALA CA C 108 55.005 54.767 0.238 1
1 1280 . 10 1 1 A 108 108 ALA CB C 108 18.015 18.210 -0.195 1
1 1281 . 10 1 1 A 108 108 ALA N N 108 123.150 123.381 -0.231 1
1 1282 . 10 1 1 A 109 109 LEU H H 109 8.795 8.016 0.779 1
1 1283 . 10 1 1 A 109 109 LEU HA H 109 4.045 4.226 -0.181 1
1 1293 . 10 1 1 A 109 109 LEU C C 109 178.758 178.880 -0.122 1
1 1294 . 10 1 1 A 109 109 LEU CA C 109 58.093 57.432 0.661 1
1 1295 . 10 1 1 A 109 109 LEU CB C 109 42.298 42.047 0.251 1
1 1299 . 10 1 1 A 109 109 LEU N N 109 118.714 119.350 -0.636 1
1 1300 . 10 1 1 A 110 110 MET H H 110 8.582 8.566 0.016 1
1 1301 . 10 1 1 A 110 110 MET HA H 110 4.404 4.091 0.313 1
1 1309 . 10 1 1 A 110 110 MET C C 110 180.290 178.900 1.390 1
1 1310 . 10 1 1 A 110 110 MET CA C 110 56.876 58.521 -1.645 1
1 1311 . 10 1 1 A 110 110 MET CB C 110 30.002 31.693 -1.691 1
1 1314 . 10 1 1 A 110 110 MET N N 110 117.122 116.217 0.905 1
1 1315 . 10 1 1 A 111 111 GLU H H 111 8.062 7.480 0.582 1
1 1316 . 10 1 1 A 111 111 GLU HA H 111 4.126 4.012 0.114 1
1 1321 . 10 1 1 A 111 111 GLU C C 111 179.237 178.706 0.531 1
1 1322 . 10 1 1 A 111 111 GLU CA C 111 59.435 58.880 0.555 1
1 1323 . 10 1 1 A 111 111 GLU CB C 111 29.015 29.923 -0.908 1
1 1325 . 10 1 1 A 111 111 GLU N N 111 121.532 119.477 2.055 1
1 1326 . 10 1 1 A 112 112 ALA H H 112 7.975 7.764 0.211 1
1 1327 . 10 1 1 A 112 112 ALA HA H 112 4.265 4.074 0.191 1
1 1331 . 10 1 1 A 112 112 ALA C C 112 179.608 179.811 -0.203 1
1 1332 . 10 1 1 A 112 112 ALA CA C 112 54.158 54.907 -0.749 1
1 1333 . 10 1 1 A 112 112 ALA CB C 112 19.530 18.445 1.085 1
1 1334 . 10 1 1 A 112 112 ALA N N 112 121.838 122.488 -0.650 1
1 1335 . 10 1 1 A 113 113 ASN H H 113 8.115 8.173 -0.058 1
1 1336 . 10 1 1 A 113 113 ASN HA H 113 4.822 4.621 0.201 1
1 1341 . 10 1 1 A 113 113 ASN C C 113 176.296 176.073 0.223 1
1 1342 . 10 1 1 A 113 113 ASN CA C 113 56.311 56.069 0.242 1
1 1343 . 10 1 1 A 113 113 ASN CB C 113 40.283 38.697 1.586 1
1 1344 . 10 1 1 A 113 113 ASN N N 113 115.563 118.040 -2.477 1
1 1346 . 10 1 1 A 114 114 SER H H 114 7.365 7.674 -0.309 1
1 1347 . 10 1 1 A 114 114 SER HA H 114 4.545 3.741 0.804 1
1 1350 . 10 1 1 A 114 114 SER C C 114 174.126 172.356 1.770 1
1 1351 . 10 1 1 A 114 114 SER CA C 114 58.464 56.734 1.730 1
1 1352 . 10 1 1 A 114 114 SER CB C 114 64.400 63.876 0.524 1
1 1353 . 10 1 1 A 114 114 SER N N 114 108.652 112.580 -3.928 1
1 1354 . 10 1 1 A 115 115 THR H H 115 7.849 7.257 0.592 1
1 1355 . 10 1 1 A 115 115 THR HA H 115 4.599 4.869 -0.270 1
1 1360 . 10 1 1 A 115 115 THR C C 115 172.337 172.337 0.000 1
1 1361 . 10 1 1 A 115 115 THR CA C 115 60.817 59.143 1.674 1
1 1362 . 10 1 1 A 115 115 THR CB C 115 70.016 71.470 -1.454 1
1 1364 . 10 1 1 A 115 115 THR N N 115 118.885 117.164 1.721 1
1 1365 . 10 1 1 A 116 116 PRO HA H 116 4.404 4.806 -0.402 1
1 1372 . 10 1 1 A 116 116 PRO CA C 116 63.007 62.483 0.524 1
1 1373 . 10 1 1 A 116 116 PRO CB C 116 32.346 33.282 -0.936 1
1 1376 . 10 1 1 A 117 117 ALA H H 117 8.429 8.301 0.128 1
1 1377 . 10 1 1 A 117 117 ALA HA H 117 4.535 4.870 -0.335 1
1 1381 . 10 1 1 A 117 117 ALA CA C 117 50.359 49.714 0.645 1
1 1382 . 10 1 1 A 117 117 ALA CB C 117 18.069 20.923 -2.854 1
1 1383 . 10 1 1 A 117 117 ALA N N 117 125.693 122.618 3.075 1
1 1384 . 10 1 1 A 118 118 PRO HA H 118 4.377 4.415 -0.038 1
1 1391 . 10 1 1 A 118 118 PRO C C 118 176.656 176.565 0.091 1
1 1392 . 10 1 1 A 118 118 PRO CA C 118 63.105 64.228 -1.123 1
1 1393 . 10 1 1 A 118 118 PRO CB C 118 31.935 31.928 0.007 1
1 1396 . 10 1 1 A 119 119 ALA H H 119 8.430 7.953 0.477 1
1 1397 . 10 1 1 A 119 119 ALA HA H 119 4.255 4.362 -0.107 1
1 1401 . 10 1 1 A 119 119 ALA C C 119 178.416 177.774 0.642 1
1 1402 . 10 1 1 A 119 119 ALA CA C 119 52.744 52.235 0.509 1
1 1403 . 10 1 1 A 119 119 ALA CB C 119 19.186 20.525 -1.339 1
1 1404 . 10 1 1 A 119 119 ALA N N 119 124.565 122.341 2.224 1
1 1405 . 10 1 1 A 120 120 GLY H H 120 8.375 8.678 -0.303 1
1 1406 . 10 1 1 A 120 120 GLY HA2 H 120 3.934 4.234 -0.300 1
1 1407 . 10 1 1 A 120 120 GLY HA3 H 120 3.934 4.239 -0.305 1
1 1408 . 10 1 1 A 120 120 GLY C C 120 173.810 172.109 1.701 1
1 1409 . 10 1 1 A 120 120 GLY CA C 120 45.176 45.289 -0.113 1
1 1410 . 10 1 1 A 120 120 GLY N N 120 108.353 109.069 -0.716 1
1 1411 . 10 1 1 A 121 121 ALA H H 121 8.116 8.722 -0.606 1
1 1412 . 10 1 1 A 121 121 ALA HA H 121 4.379 5.088 -0.709 1
1 1416 . 10 1 1 A 121 121 ALA C C 121 177.908 175.976 1.932 1
1 1417 . 10 1 1 A 121 121 ALA CA C 121 52.446 50.953 1.493 1
1 1418 . 10 1 1 A 121 121 ALA CB C 121 19.433 23.796 -4.363 1
1 1419 . 10 1 1 A 121 121 ALA N N 121 123.561 126.470 -2.909 1
1 1420 . 10 1 1 A 122 122 THR H H 122 8.212 8.719 -0.507 1
1 1421 . 10 1 1 A 122 122 THR C C 122 174.317 174.319 -0.002 1
1 1422 . 10 1 1 A 122 122 THR CA C 122 61.888 62.367 -0.479 1
1 1423 . 10 1 1 A 122 122 THR CB C 122 69.648 69.722 -0.074 1
1 1425 . 10 1 1 A 122 122 THR N N 122 114.319 113.970 0.349 1
1 1426 . 10 1 1 A 123 123 VAL H H 123 8.222 8.331 -0.109 1
1 1427 . 10 1 1 A 123 123 VAL HA H 123 4.455 4.311 0.144 1
1 1435 . 10 1 1 A 123 123 VAL C C 123 174.373 176.108 -1.735 1
1 1436 . 10 1 1 A 123 123 VAL CA C 123 59.717 60.916 -1.199 1
1 1437 . 10 1 1 A 123 123 VAL CB C 123 32.593 31.381 1.212 1
1 1440 . 10 1 1 A 123 123 VAL N N 123 124.311 125.551 -1.240 1
1 1441 . 10 1 1 A 124 124 PRO HA H 124 4.403 4.467 -0.064 1
1 1446 . 10 1 1 A 124 124 PRO C C 124 176.873 176.914 -0.041 1
1 1447 . 10 1 1 A 124 124 PRO CA C 124 63.211 64.026 -0.815 1
1 1448 . 10 1 1 A 124 124 PRO CB C 124 32.017 32.078 -0.061 1
1 1451 . 10 1 1 A 125 125 SER H H 125 8.426 8.223 0.203 1
1 1452 . 10 1 1 A 125 125 SER HA H 125 4.448 4.128 0.320 1
1 1455 . 10 1 1 A 125 125 SER C C 125 174.598 174.631 -0.033 1
1 1456 . 10 1 1 A 125 125 SER CA C 125 58.341 60.819 -2.478 1
1 1457 . 10 1 1 A 125 125 SER CB C 125 64.054 62.989 1.065 1
1 1458 . 10 1 1 A 125 125 SER N N 125 116.463 113.587 2.876 1
1 1459 . 10 1 1 A 126 126 GLY H H 126 8.233 7.848 0.385 1
1 1460 . 10 1 1 A 126 126 GLY C C 126 171.756 173.638 -1.882 1
1 1461 . 10 1 1 A 126 126 GLY CA C 126 44.611 44.708 -0.097 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.445 4.691 -0.246 1
1 4 . 11 1 1 A 6 6 SER C C 6 174.707 175.453 -0.746 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.482 59.180 -0.698 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.848 63.409 0.439 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.494 8.910 -0.416 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 4.105 4.125 -0.020 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 4.105 4.144 -0.039 1
1 10 . 11 1 1 A 7 7 GLY C C 7 172.961 174.438 -1.477 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.864 45.470 0.394 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.325 113.398 -3.073 1
1 13 . 11 1 1 A 8 8 LEU H H 8 8.295 7.854 0.441 1
1 14 . 11 1 1 A 8 8 LEU HA H 8 4.268 4.875 -0.607 1
1 24 . 11 1 1 A 8 8 LEU C C 8 176.773 176.033 0.740 1
1 25 . 11 1 1 A 8 8 LEU CA C 8 55.587 53.898 1.689 1
1 26 . 11 1 1 A 8 8 LEU CB C 8 43.367 44.099 -0.732 1
1 30 . 11 1 1 A 8 8 LEU N N 8 123.800 122.747 1.053 1
1 31 . 11 1 1 A 9 9 VAL H H 9 9.290 8.637 0.653 1
1 32 . 11 1 1 A 9 9 VAL HA H 9 3.826 4.099 -0.273 1
1 40 . 11 1 1 A 9 9 VAL C C 9 176.540 175.837 0.703 1
1 41 . 11 1 1 A 9 9 VAL CA C 9 64.888 63.650 1.238 1
1 42 . 11 1 1 A 9 9 VAL CB C 9 32.264 32.671 -0.407 1
1 45 . 11 1 1 A 9 9 VAL N N 9 129.415 125.105 4.310 1
1 46 . 11 1 1 A 10 10 ARG H H 10 7.135 7.584 -0.449 1
1 47 . 11 1 1 A 10 10 ARG HA H 10 4.126 4.679 -0.553 1
1 55 . 11 1 1 A 10 10 ARG C C 10 171.942 174.653 -2.711 1
1 56 . 11 1 1 A 10 10 ARG CA C 10 55.800 55.079 0.721 1
1 57 . 11 1 1 A 10 10 ARG CB C 10 32.223 33.657 -1.434 1
1 60 . 11 1 1 A 10 10 ARG N N 10 117.246 117.535 -0.289 1
1 62 . 11 1 1 A 11 11 GLY H H 11 8.390 8.185 0.205 1
1 63 . 11 1 1 A 11 11 GLY HA2 H 11 3.204 4.076 -0.872 1
1 64 . 11 1 1 A 11 11 GLY HA3 H 11 5.336 4.199 1.137 1
1 65 . 11 1 1 A 11 11 GLY C C 11 172.895 171.816 1.079 1
1 66 . 11 1 1 A 11 11 GLY CA C 11 43.481 45.168 -1.687 1
1 67 . 11 1 1 A 11 11 GLY N N 11 113.527 109.945 3.582 1
1 68 . 11 1 1 A 12 12 GLY H H 12 7.935 6.791 1.144 1
1 69 . 11 1 1 A 12 12 GLY C C 12 171.502 171.802 -0.300 1
1 70 . 11 1 1 A 12 12 GLY CA C 12 46.093 44.327 1.766 1
1 71 . 11 1 1 A 13 13 TRP H H 13 8.904 8.360 0.544 1
1 72 . 11 1 1 A 13 13 TRP HA H 13 5.205 5.451 -0.246 1
1 81 . 11 1 1 A 13 13 TRP C C 13 177.926 175.806 2.120 1
1 82 . 11 1 1 A 13 13 TRP CA C 13 57.846 56.358 1.488 1
1 83 . 11 1 1 A 13 13 TRP CB C 13 30.290 31.608 -1.318 1
1 89 . 11 1 1 A 13 13 TRP N N 13 121.758 120.601 1.157 1
1 91 . 11 1 1 A 14 14 LEU H H 14 9.295 8.758 0.537 1
1 92 . 11 1 1 A 14 14 LEU HA H 14 4.683 4.768 -0.085 1
1 102 . 11 1 1 A 14 14 LEU C C 14 175.828 176.076 -0.248 1
1 103 . 11 1 1 A 14 14 LEU CA C 14 54.670 53.536 1.134 1
1 104 . 11 1 1 A 14 14 LEU CB C 14 47.562 45.648 1.914 1
1 108 . 11 1 1 A 14 14 LEU N N 14 123.447 123.914 -0.467 1
1 109 . 11 1 1 A 15 15 TRP H H 15 8.655 8.886 -0.231 1
1 110 . 11 1 1 A 15 15 TRP HA H 15 5.315 5.224 0.091 1
1 119 . 11 1 1 A 15 15 TRP C C 15 175.899 175.915 -0.016 1
1 120 . 11 1 1 A 15 15 TRP CA C 15 57.159 57.502 -0.343 1
1 121 . 11 1 1 A 15 15 TRP CB C 15 30.759 30.202 0.557 1
1 127 . 11 1 1 A 15 15 TRP N N 15 119.571 123.931 -4.360 1
1 129 . 11 1 1 A 16 16 ARG H H 16 10.145 9.381 0.764 1
1 130 . 11 1 1 A 16 16 ARG HA H 16 5.495 5.413 0.082 1
1 138 . 11 1 1 A 16 16 ARG C C 16 174.930 174.175 0.755 1
1 139 . 11 1 1 A 16 16 ARG CA C 16 54.334 54.243 0.091 1
1 140 . 11 1 1 A 16 16 ARG CB C 16 34.808 33.088 1.720 1
1 143 . 11 1 1 A 16 16 ARG N N 16 121.997 125.985 -3.988 1
1 145 . 11 1 1 A 17 17 GLN H H 17 8.233 8.882 -0.649 1
1 146 . 11 1 1 A 17 17 GLN HA H 17 3.797 4.812 -1.015 1
1 153 . 11 1 1 A 17 17 GLN C C 17 175.654 174.171 1.483 1
1 154 . 11 1 1 A 17 17 GLN CA C 17 55.446 53.954 1.492 1
1 155 . 11 1 1 A 17 17 GLN CB C 17 29.056 30.746 -1.690 1
1 157 . 11 1 1 A 17 17 GLN N N 17 128.414 126.724 1.690 1
1 159 . 11 1 1 A 18 18 SER H H 18 8.635 8.337 0.298 1
1 160 . 11 1 1 A 18 18 SER HA H 18 4.575 4.750 -0.175 1
1 163 . 11 1 1 A 18 18 SER C C 18 175.585 174.503 1.082 1
1 164 . 11 1 1 A 18 18 SER CA C 18 57.246 55.773 1.473 1
1 165 . 11 1 1 A 18 18 SER CB C 18 64.012 65.720 -1.708 1
1 166 . 11 1 1 A 18 18 SER N N 18 122.600 120.330 2.270 1
1 167 . 11 1 1 A 20 20 ILE H H 20 7.976 7.679 0.297 1
1 168 . 11 1 1 A 20 20 ILE HA H 20 4.036 3.973 0.063 1
1 178 . 11 1 1 A 20 20 ILE C C 20 176.929 178.246 -1.317 1
1 179 . 11 1 1 A 20 20 ILE CA C 20 62.929 63.534 -0.605 1
1 180 . 11 1 1 A 20 20 ILE CB C 20 37.912 38.603 -0.691 1
1 184 . 11 1 1 A 20 20 ILE N N 20 120.700 119.950 0.750 1
1 185 . 11 1 1 A 21 21 LEU H H 21 8.089 7.893 0.196 1
1 186 . 11 1 1 A 21 21 LEU HA H 21 4.159 4.132 0.027 1
1 196 . 11 1 1 A 21 21 LEU C C 21 176.455 176.152 0.303 1
1 197 . 11 1 1 A 21 21 LEU CA C 21 55.287 56.877 -1.590 1
1 198 . 11 1 1 A 21 21 LEU CB C 21 42.051 41.969 0.082 1
1 202 . 11 1 1 A 21 21 LEU N N 21 119.540 121.432 -1.892 1
1 203 . 11 1 1 A 22 22 ARG H H 22 7.687 7.711 -0.024 1
1 204 . 11 1 1 A 22 22 ARG HA H 22 3.806 3.832 -0.026 1
1 211 . 11 1 1 A 22 22 ARG C C 22 175.087 174.284 0.803 1
1 212 . 11 1 1 A 22 22 ARG CA C 22 56.788 57.261 -0.473 1
1 213 . 11 1 1 A 22 22 ARG CB C 22 27.130 27.282 -0.152 1
1 216 . 11 1 1 A 22 22 ARG N N 22 114.383 117.654 -3.271 1
1 217 . 11 1 1 A 23 23 ARG H H 23 7.392 7.558 -0.166 1
1 218 . 11 1 1 A 23 23 ARG HA H 23 4.603 4.763 -0.160 1
1 225 . 11 1 1 A 23 23 ARG C C 23 176.112 175.478 0.634 1
1 226 . 11 1 1 A 23 23 ARG CA C 23 54.846 54.653 0.193 1
1 227 . 11 1 1 A 23 23 ARG CB C 23 32.387 32.347 0.040 1
1 230 . 11 1 1 A 23 23 ARG N N 23 115.846 117.361 -1.515 1
1 231 . 11 1 1 A 24 24 TRP H H 24 9.013 8.624 0.389 1
1 232 . 11 1 1 A 24 24 TRP HA H 24 5.154 5.370 -0.216 1
1 241 . 11 1 1 A 24 24 TRP C C 24 176.347 176.634 -0.287 1
1 242 . 11 1 1 A 24 24 TRP CA C 24 57.546 57.674 -0.128 1
1 243 . 11 1 1 A 24 24 TRP CB C 24 31.112 30.823 0.289 1
1 249 . 11 1 1 A 24 24 TRP N N 24 123.861 122.418 1.443 1
1 251 . 11 1 1 A 25 25 LYS H H 25 9.553 9.551 0.002 1
1 252 . 11 1 1 A 25 25 LYS HA H 25 4.992 5.487 -0.495 1
1 261 . 11 1 1 A 25 25 LYS C C 25 173.887 175.305 -1.418 1
1 262 . 11 1 1 A 25 25 LYS CA C 25 55.023 54.949 0.074 1
1 263 . 11 1 1 A 25 25 LYS CB C 25 35.965 36.358 -0.393 1
1 267 . 11 1 1 A 25 25 LYS N N 25 123.241 119.624 3.617 1
1 268 . 11 1 1 A 26 26 ARG H H 26 8.705 8.729 -0.024 1
1 269 . 11 1 1 A 26 26 ARG HA H 26 4.494 4.332 0.162 1
1 276 . 11 1 1 A 26 26 ARG C C 26 175.755 176.352 -0.597 1
1 277 . 11 1 1 A 26 26 ARG CA C 26 56.046 56.133 -0.087 1
1 278 . 11 1 1 A 26 26 ARG CB C 26 30.783 30.611 0.172 1
1 281 . 11 1 1 A 26 26 ARG N N 26 124.843 122.728 2.115 1
1 282 . 11 1 1 A 27 27 ASN H H 27 9.100 8.596 0.504 1
1 283 . 11 1 1 A 27 27 ASN HA H 27 5.235 5.318 -0.083 1
1 288 . 11 1 1 A 27 27 ASN CA C 27 54.041 52.135 1.906 1
1 289 . 11 1 1 A 27 27 ASN CB C 27 46.737 43.599 3.138 1
1 290 . 11 1 1 A 27 27 ASN N N 27 123.044 121.766 1.278 1
1 292 . 11 1 1 A 28 28 TRP H H 28 7.835 8.314 -0.479 1
1 293 . 11 1 1 A 28 28 TRP HA H 28 4.105 5.032 -0.927 1
1 299 . 11 1 1 A 28 28 TRP N N 28 122.540 124.318 -1.778 1
1 300 . 11 1 1 A 29 29 PHE H H 29 8.755 8.720 0.035 1
1 301 . 11 1 1 A 29 29 PHE HA H 29 5.001 5.103 -0.102 1
1 309 . 11 1 1 A 29 29 PHE CA C 29 56.692 56.319 0.373 1
1 310 . 11 1 1 A 29 29 PHE CB C 29 42.284 41.836 0.448 1
1 316 . 11 1 1 A 29 29 PHE N N 29 129.716 126.510 3.206 1
1 317 . 11 1 1 A 30 30 ALA H H 30 8.695 8.743 -0.048 1
1 321 . 11 1 1 A 30 30 ALA C C 30 173.958 174.809 -0.851 1
1 322 . 11 1 1 A 30 30 ALA CA C 30 50.611 51.274 -0.663 1
1 323 . 11 1 1 A 30 30 ALA CB C 30 22.570 22.380 0.190 1
1 324 . 11 1 1 A 31 31 LEU H H 31 8.815 8.136 0.679 1
1 325 . 11 1 1 A 31 31 LEU HA H 31 5.003 4.751 0.252 1
1 335 . 11 1 1 A 31 31 LEU C C 31 174.414 174.380 0.034 1
1 336 . 11 1 1 A 31 31 LEU CA C 31 53.240 53.633 -0.393 1
1 337 . 11 1 1 A 31 31 LEU CB C 31 44.783 44.564 0.219 1
1 341 . 11 1 1 A 31 31 LEU N N 31 124.610 124.666 -0.056 1
1 342 . 11 1 1 A 32 32 TRP H H 32 9.045 8.776 0.269 1
1 343 . 11 1 1 A 32 32 TRP HA H 32 5.499 5.303 0.196 1
1 352 . 11 1 1 A 32 32 TRP C C 32 178.871 177.348 1.523 1
1 353 . 11 1 1 A 32 32 TRP CA C 32 55.552 56.026 -0.474 1
1 354 . 11 1 1 A 32 32 TRP CB C 32 32.346 31.645 0.701 1
1 360 . 11 1 1 A 32 32 TRP N N 32 128.500 127.398 1.102 1
1 362 . 11 1 1 A 33 33 LEU H H 33 9.246 9.353 -0.107 1
1 363 . 11 1 1 A 33 33 LEU HA H 33 4.075 3.976 0.099 1
1 373 . 11 1 1 A 33 33 LEU C C 33 176.859 178.383 -1.524 1
1 374 . 11 1 1 A 33 33 LEU CA C 33 57.035 57.910 -0.875 1
1 375 . 11 1 1 A 33 33 LEU CB C 33 42.651 41.414 1.237 1
1 379 . 11 1 1 A 33 33 LEU N N 33 123.838 125.900 -2.062 1
1 380 . 11 1 1 A 34 34 ASP H H 34 7.536 8.010 -0.474 1
1 381 . 11 1 1 A 34 34 ASP HA H 34 4.395 4.522 -0.127 1
1 384 . 11 1 1 A 34 34 ASP C C 34 177.113 176.625 0.488 1
1 385 . 11 1 1 A 34 34 ASP CA C 34 53.805 54.260 -0.455 1
1 386 . 11 1 1 A 34 34 ASP CB C 34 39.625 41.100 -1.475 1
1 387 . 11 1 1 A 34 34 ASP N N 34 115.948 116.228 -0.280 1
1 388 . 11 1 1 A 35 35 GLY H H 35 8.264 9.191 -0.927 1
1 389 . 11 1 1 A 35 35 GLY HA2 H 35 4.205 3.955 0.250 1
1 390 . 11 1 1 A 35 35 GLY HA3 H 35 3.895 3.976 -0.081 1
1 391 . 11 1 1 A 35 35 GLY C C 35 173.898 173.955 -0.057 1
1 392 . 11 1 1 A 35 35 GLY CA C 35 46.216 46.347 -0.131 1
1 393 . 11 1 1 A 35 35 GLY N N 35 106.508 108.842 -2.334 1
1 394 . 11 1 1 A 36 36 THR H H 36 8.035 7.248 0.787 1
1 395 . 11 1 1 A 36 36 THR HA H 36 5.123 5.090 0.033 1
1 400 . 11 1 1 A 36 36 THR C C 36 170.669 173.069 -2.400 1
1 401 . 11 1 1 A 36 36 THR CA C 36 60.588 59.376 1.212 1
1 402 . 11 1 1 A 36 36 THR CB C 36 72.314 72.743 -0.429 1
1 404 . 11 1 1 A 36 36 THR N N 36 112.047 109.969 2.078 1
1 405 . 11 1 1 A 37 37 LEU H H 37 9.344 9.179 0.165 1
1 406 . 11 1 1 A 37 37 LEU HA H 37 5.616 5.095 0.521 1
1 416 . 11 1 1 A 37 37 LEU C C 37 175.787 174.967 0.820 1
1 417 . 11 1 1 A 37 37 LEU CA C 37 52.799 53.818 -1.019 1
1 418 . 11 1 1 A 37 37 LEU CB C 37 46.698 44.589 2.109 1
1 422 . 11 1 1 A 37 37 LEU N N 37 122.915 123.899 -0.984 1
1 423 . 11 1 1 A 38 38 GLY H H 38 9.685 8.798 0.887 1
1 424 . 11 1 1 A 38 38 GLY HA2 H 38 5.074 3.977 1.097 1
1 425 . 11 1 1 A 38 38 GLY HA3 H 38 3.825 4.238 -0.413 1
1 426 . 11 1 1 A 38 38 GLY C C 38 172.258 172.462 -0.204 1
1 427 . 11 1 1 A 38 38 GLY CA C 38 43.676 44.440 -0.764 1
1 428 . 11 1 1 A 38 38 GLY N N 38 113.092 114.178 -1.086 1
1 429 . 11 1 1 A 39 39 TYR H H 39 7.362 8.060 -0.698 1
1 430 . 11 1 1 A 39 39 TYR HA H 39 5.251 5.843 -0.592 1
1 437 . 11 1 1 A 39 39 TYR C C 39 175.367 174.483 0.884 1
1 438 . 11 1 1 A 39 39 TYR CA C 39 54.282 55.281 -0.999 1
1 439 . 11 1 1 A 39 39 TYR CB C 39 37.774 40.148 -2.374 1
1 444 . 11 1 1 A 39 39 TYR N N 39 113.951 121.705 -7.754 1
1 445 . 11 1 1 A 40 40 TYR H H 40 9.315 9.150 0.165 1
1 446 . 11 1 1 A 40 40 TYR HA H 40 5.305 4.934 0.371 1
1 453 . 11 1 1 A 40 40 TYR C C 40 177.694 176.567 1.127 1
1 454 . 11 1 1 A 40 40 TYR CA C 40 57.185 57.045 0.140 1
1 455 . 11 1 1 A 40 40 TYR CB C 40 43.779 42.082 1.697 1
1 460 . 11 1 1 A 40 40 TYR N N 40 117.930 119.736 -1.806 1
1 461 . 11 1 1 A 41 41 HIS H H 41 8.658 8.827 -0.169 1
1 462 . 11 1 1 A 41 41 HIS HA H 41 4.654 4.241 0.413 1
1 467 . 11 1 1 A 41 41 HIS C C 41 174.858 173.805 1.053 1
1 468 . 11 1 1 A 41 41 HIS CA C 41 59.159 60.210 -1.051 1
1 469 . 11 1 1 A 41 41 HIS CB C 41 31.094 30.351 0.743 1
1 472 . 11 1 1 A 41 41 HIS N N 41 121.927 122.414 -0.487 1
1 473 . 11 1 1 A 42 42 ASP H H 42 8.095 7.838 0.257 1
1 474 . 11 1 1 A 42 42 ASP HA H 42 4.795 4.627 0.168 1
1 477 . 11 1 1 A 42 42 ASP C C 42 175.052 175.684 -0.632 1
1 478 . 11 1 1 A 42 42 ASP CA C 42 53.155 52.526 0.629 1
1 479 . 11 1 1 A 42 42 ASP CB C 42 41.860 43.568 -1.708 1
1 480 . 11 1 1 A 42 42 ASP N N 42 112.020 116.430 -4.410 1
1 481 . 11 1 1 A 43 43 GLU H H 43 8.899 8.551 0.348 1
1 482 . 11 1 1 A 43 43 GLU C C 43 176.336 176.831 -0.495 1
1 483 . 11 1 1 A 43 43 GLU CA C 43 57.021 59.548 -2.527 1
1 484 . 11 1 1 A 43 43 GLU CB C 43 27.493 29.151 -1.658 1
1 485 . 11 1 1 A 43 43 GLU N N 43 116.402 123.156 -6.754 1
1 486 . 11 1 1 A 44 44 THR H H 44 8.093 7.775 0.318 1
1 487 . 11 1 1 A 44 44 THR HA H 44 3.915 4.195 -0.280 1
1 492 . 11 1 1 A 44 44 THR CA C 44 63.143 61.635 1.508 1
1 493 . 11 1 1 A 44 44 THR CB C 44 69.620 68.578 1.042 1
1 495 . 11 1 1 A 44 44 THR N N 44 111.376 110.304 1.072 1
1 496 . 11 1 1 A 45 45 ALA H H 45 7.815 8.773 -0.958 1
1 497 . 11 1 1 A 45 45 ALA HA H 45 3.430 4.054 -0.624 1
1 501 . 11 1 1 A 45 45 ALA C C 45 175.091 177.767 -2.676 1
1 502 . 11 1 1 A 45 45 ALA CA C 45 53.434 51.853 1.581 1
1 503 . 11 1 1 A 45 45 ALA CB C 45 15.567 17.002 -1.435 1
1 504 . 11 1 1 A 46 46 GLN H H 46 7.869 8.260 -0.391 1
1 505 . 11 1 1 A 46 46 GLN HA H 46 4.238 4.510 -0.272 1
1 512 . 11 1 1 A 46 46 GLN C C 46 176.190 176.201 -0.011 1
1 513 . 11 1 1 A 46 46 GLN CA C 46 56.929 56.409 0.520 1
1 514 . 11 1 1 A 46 46 GLN CB C 46 30.454 30.093 0.361 1
1 516 . 11 1 1 A 46 46 GLN N N 46 115.953 117.304 -1.351 1
1 518 . 11 1 1 A 47 47 ASP H H 47 8.326 8.002 0.324 1
1 519 . 11 1 1 A 47 47 ASP HA H 47 4.954 4.978 -0.024 1
1 522 . 11 1 1 A 47 47 ASP C C 47 173.846 175.567 -1.721 1
1 523 . 11 1 1 A 47 47 ASP CA C 47 52.993 53.694 -0.701 1
1 524 . 11 1 1 A 47 47 ASP CB C 47 41.558 40.977 0.581 1
1 525 . 11 1 1 A 47 47 ASP N N 47 119.830 118.502 1.328 1
1 526 . 11 1 1 A 48 48 GLU H H 48 8.756 7.782 0.974 1
1 527 . 11 1 1 A 48 48 GLU HA H 48 3.785 3.734 0.051 1
1 532 . 11 1 1 A 48 48 GLU C C 48 175.892 177.138 -1.246 1
1 533 . 11 1 1 A 48 48 GLU CA C 48 56.470 57.337 -0.867 1
1 534 . 11 1 1 A 48 48 GLU CB C 48 32.264 30.583 1.681 1
1 536 . 11 1 1 A 48 48 GLU N N 48 125.923 122.425 3.498 1
1 537 . 11 1 1 A 49 49 GLU H H 49 8.945 8.209 0.736 1
1 538 . 11 1 1 A 49 49 GLU HA H 49 4.164 4.202 -0.038 1
1 543 . 11 1 1 A 49 49 GLU C C 49 176.040 175.399 0.641 1
1 544 . 11 1 1 A 49 49 GLU CA C 49 58.447 58.363 0.084 1
1 545 . 11 1 1 A 49 49 GLU CB C 49 30.207 30.635 -0.428 1
1 547 . 11 1 1 A 49 49 GLU N N 49 129.751 127.568 2.183 1
1 548 . 11 1 1 A 50 50 ASP H H 50 6.736 6.557 0.179 1
1 549 . 11 1 1 A 50 50 ASP HA H 50 4.355 4.769 -0.414 1
1 552 . 11 1 1 A 50 50 ASP C C 50 172.562 173.461 -0.899 1
1 553 . 11 1 1 A 50 50 ASP CA C 50 52.729 53.053 -0.324 1
1 554 . 11 1 1 A 50 50 ASP CB C 50 43.737 43.742 -0.005 1
1 555 . 11 1 1 A 50 50 ASP N N 50 113.574 117.202 -3.628 1
1 556 . 11 1 1 A 51 51 ARG H H 51 8.532 8.556 -0.024 1
1 557 . 11 1 1 A 51 51 ARG HA H 51 5.005 5.044 -0.039 1
1 565 . 11 1 1 A 51 51 ARG C C 51 174.656 174.468 0.188 1
1 566 . 11 1 1 A 51 51 ARG CA C 51 55.605 55.619 -0.014 1
1 567 . 11 1 1 A 51 51 ARG CB C 51 33.520 34.035 -0.515 1
1 570 . 11 1 1 A 51 51 ARG N N 51 117.888 122.734 -4.846 1
1 572 . 11 1 1 A 52 52 VAL H H 52 9.155 9.286 -0.131 1
1 573 . 11 1 1 A 52 52 VAL HA H 52 4.616 4.908 -0.292 1
1 581 . 11 1 1 A 52 52 VAL C C 52 174.710 175.280 -0.570 1
1 582 . 11 1 1 A 52 52 VAL CA C 52 59.382 59.849 -0.467 1
1 583 . 11 1 1 A 52 52 VAL CB C 52 35.266 35.101 0.165 1
1 586 . 11 1 1 A 52 52 VAL N N 52 121.629 120.954 0.675 1
1 587 . 11 1 1 A 53 53 VAL H H 53 8.956 8.990 -0.034 1
1 588 . 11 1 1 A 53 53 VAL HA H 53 3.745 4.111 -0.366 1
1 596 . 11 1 1 A 53 53 VAL C C 53 174.610 175.745 -1.135 1
1 597 . 11 1 1 A 53 53 VAL CA C 53 64.676 63.885 0.791 1
1 598 . 11 1 1 A 53 53 VAL CB C 53 32.305 32.138 0.167 1
1 601 . 11 1 1 A 53 53 VAL N N 53 125.547 125.829 -0.282 1
1 602 . 11 1 1 A 54 54 ILE H H 54 8.705 9.087 -0.382 1
1 603 . 11 1 1 A 54 54 ILE HA H 54 4.324 4.299 0.025 1
1 613 . 11 1 1 A 54 54 ILE C C 54 176.747 176.408 0.339 1
1 614 . 11 1 1 A 54 54 ILE CA C 54 58.623 62.974 -4.351 1
1 615 . 11 1 1 A 54 54 ILE CB C 54 36.787 39.566 -2.779 1
1 619 . 11 1 1 A 54 54 ILE N N 54 126.147 126.535 -0.388 1
1 620 . 11 1 1 A 55 55 HIS H H 55 7.913 7.963 -0.050 1
1 621 . 11 1 1 A 55 55 HIS HA H 55 4.626 4.262 0.364 1
1 626 . 11 1 1 A 55 55 HIS C C 55 174.365 175.721 -1.356 1
1 627 . 11 1 1 A 55 55 HIS CA C 55 57.917 57.255 0.662 1
1 628 . 11 1 1 A 55 55 HIS CB C 55 29.796 29.737 0.059 1
1 631 . 11 1 1 A 55 55 HIS N N 55 119.790 122.511 -2.721 1
1 632 . 11 1 1 A 56 56 PHE H H 56 9.382 8.713 0.669 1
1 633 . 11 1 1 A 56 56 PHE HA H 56 4.225 4.332 -0.107 1
1 641 . 11 1 1 A 56 56 PHE C C 56 175.781 175.188 0.593 1
1 642 . 11 1 1 A 56 56 PHE CA C 56 57.593 58.411 -0.818 1
1 643 . 11 1 1 A 56 56 PHE CB C 56 36.664 36.209 0.455 1
1 649 . 11 1 1 A 56 56 PHE N N 56 124.614 121.845 2.769 1
1 650 . 11 1 1 A 57 57 ASN H H 57 8.755 8.006 0.749 1
1 651 . 11 1 1 A 57 57 ASN HA H 57 5.319 5.016 0.303 1
1 656 . 11 1 1 A 57 57 ASN C C 57 175.317 175.784 -0.467 1
1 657 . 11 1 1 A 57 57 ASN CA C 57 52.129 54.024 -1.895 1
1 658 . 11 1 1 A 57 57 ASN CB C 57 41.640 40.264 1.376 1
1 659 . 11 1 1 A 57 57 ASN N N 57 114.893 116.331 -1.438 1
1 661 . 11 1 1 A 58 58 VAL H H 58 8.606 7.027 1.579 1
1 662 . 11 1 1 A 58 58 VAL HA H 58 4.138 4.440 -0.302 1
1 670 . 11 1 1 A 58 58 VAL C C 58 175.486 176.140 -0.654 1
1 671 . 11 1 1 A 58 58 VAL CA C 58 63.035 63.353 -0.318 1
1 672 . 11 1 1 A 58 58 VAL CB C 58 32.733 31.312 1.421 1
1 675 . 11 1 1 A 58 58 VAL N N 58 121.476 118.380 3.096 1
1 676 . 11 1 1 A 59 59 ARG H H 59 9.233 9.312 -0.079 1
1 677 . 11 1 1 A 59 59 ARG HA H 59 4.184 4.271 -0.087 1
1 684 . 11 1 1 A 59 59 ARG C C 59 175.572 175.116 0.456 1
1 685 . 11 1 1 A 59 59 ARG CA C 59 58.093 57.774 0.319 1
1 686 . 11 1 1 A 59 59 ARG CB C 59 31.236 31.617 -0.381 1
1 689 . 11 1 1 A 59 59 ARG N N 59 128.965 129.725 -0.760 1
1 690 . 11 1 1 A 60 60 ASP H H 60 7.745 7.639 0.106 1
1 691 . 11 1 1 A 60 60 ASP HA H 60 4.485 4.974 -0.489 1
1 694 . 11 1 1 A 60 60 ASP C C 60 173.047 173.854 -0.807 1
1 695 . 11 1 1 A 60 60 ASP CA C 60 53.911 53.365 0.546 1
1 696 . 11 1 1 A 60 60 ASP CB C 60 42.874 43.918 -1.044 1
1 697 . 11 1 1 A 60 60 ASP N N 60 113.170 117.437 -4.267 1
1 698 . 11 1 1 A 61 61 ILE H H 61 8.398 8.521 -0.123 1
1 699 . 11 1 1 A 61 61 ILE HA H 61 5.055 5.086 -0.031 1
1 709 . 11 1 1 A 61 61 ILE C C 61 174.897 174.233 0.664 1
1 710 . 11 1 1 A 61 61 ILE CA C 61 60.511 60.706 -0.195 1
1 711 . 11 1 1 A 61 61 ILE CB C 61 41.558 40.749 0.809 1
1 715 . 11 1 1 A 61 61 ILE N N 61 118.375 122.067 -3.692 1
1 716 . 11 1 1 A 62 62 LYS H H 62 8.619 8.647 -0.028 1
1 717 . 11 1 1 A 62 62 LYS HA H 62 4.711 5.013 -0.302 1
1 726 . 11 1 1 A 62 62 LYS C C 62 174.636 175.602 -0.966 1
1 727 . 11 1 1 A 62 62 LYS CA C 62 53.947 55.172 -1.225 1
1 728 . 11 1 1 A 62 62 LYS CB C 62 35.677 34.977 0.700 1
1 732 . 11 1 1 A 62 62 LYS N N 62 128.701 127.200 1.501 1
1 733 . 11 1 1 A 63 63 VAL H H 63 8.946 8.757 0.189 1
1 734 . 11 1 1 A 63 63 VAL HA H 63 5.073 4.834 0.239 1
1 742 . 11 1 1 A 63 63 VAL C C 63 177.772 176.199 1.573 1
1 743 . 11 1 1 A 63 63 VAL CA C 63 59.734 60.974 -1.240 1
1 744 . 11 1 1 A 63 63 VAL CB C 63 36.210 34.501 1.709 1
1 747 . 11 1 1 A 63 63 VAL N N 63 120.053 122.694 -2.641 1
1 748 . 11 1 1 A 64 64 GLY H H 64 9.804 9.048 0.756 1
1 749 . 11 1 1 A 64 64 GLY HA2 H 64 4.415 3.926 0.489 1
1 750 . 11 1 1 A 64 64 GLY HA3 H 64 3.906 3.928 -0.022 1
1 751 . 11 1 1 A 64 64 GLY C C 64 176.864 175.236 1.628 1
1 752 . 11 1 1 A 64 64 GLY CA C 64 47.063 47.007 0.056 1
1 753 . 11 1 1 A 64 64 GLY N N 64 118.354 114.949 3.405 1
1 754 . 11 1 1 A 65 65 GLN H H 65 9.045 8.827 0.218 1
1 755 . 11 1 1 A 65 65 GLN HA H 65 3.944 4.055 -0.111 1
1 762 . 11 1 1 A 65 65 GLN C C 65 176.698 177.970 -1.272 1
1 763 . 11 1 1 A 65 65 GLN CA C 65 57.793 58.965 -1.172 1
1 764 . 11 1 1 A 65 65 GLN CB C 65 27.822 28.748 -0.926 1
1 766 . 11 1 1 A 65 65 GLN N N 65 124.600 124.843 -0.243 1
1 768 . 11 1 1 A 66 66 GLU H H 66 7.886 7.729 0.157 1
1 769 . 11 1 1 A 66 66 GLU HA H 66 4.145 4.065 0.080 1
1 774 . 11 1 1 A 66 66 GLU C C 66 178.049 177.764 0.285 1
1 775 . 11 1 1 A 66 66 GLU CA C 66 57.564 59.440 -1.876 1
1 776 . 11 1 1 A 66 66 GLU CB C 66 31.236 29.106 2.130 1
1 778 . 11 1 1 A 66 66 GLU N N 66 116.486 117.950 -1.464 1
1 779 . 11 1 1 A 67 67 CYS H H 67 8.015 7.773 0.242 1
1 780 . 11 1 1 A 67 67 CYS HA H 67 4.331 4.436 -0.105 1
1 783 . 11 1 1 A 67 67 CYS C C 67 175.278 174.287 0.991 1
1 784 . 11 1 1 A 67 67 CYS CA C 67 58.817 60.055 -1.238 1
1 785 . 11 1 1 A 67 67 CYS CB C 67 26.342 28.281 -1.939 1
1 786 . 11 1 1 A 67 67 CYS N N 67 119.526 118.746 0.780 1
1 787 . 11 1 1 A 68 68 GLN H H 68 7.983 8.757 -0.774 1
1 788 . 11 1 1 A 68 68 GLN HA H 68 4.199 4.823 -0.624 1
1 795 . 11 1 1 A 68 68 GLN C C 68 175.866 175.048 0.818 1
1 796 . 11 1 1 A 68 68 GLN CA C 68 56.399 54.114 2.285 1
1 797 . 11 1 1 A 68 68 GLN CB C 68 29.837 32.435 -2.598 1
1 799 . 11 1 1 A 68 68 GLN N N 68 120.826 122.116 -1.290 1
1 801 . 11 1 1 A 69 69 ASP H H 69 8.755 8.785 -0.030 1
1 802 . 11 1 1 A 69 69 ASP HA H 69 4.395 4.134 0.261 1
1 805 . 11 1 1 A 69 69 ASP C C 69 174.652 174.529 0.123 1
1 806 . 11 1 1 A 69 69 ASP CA C 69 54.546 55.253 -0.707 1
1 807 . 11 1 1 A 69 69 ASP CB C 69 39.954 39.420 0.534 1
1 808 . 11 1 1 A 69 69 ASP N N 69 117.691 119.300 -1.609 1
1 809 . 11 1 1 A 70 70 VAL H H 70 7.245 7.812 -0.567 1
1 810 . 11 1 1 A 70 70 VAL HA H 70 4.173 4.703 -0.530 1
1 818 . 11 1 1 A 70 70 VAL C C 70 173.502 173.046 0.456 1
1 819 . 11 1 1 A 70 70 VAL CA C 70 60.502 59.756 0.746 1
1 820 . 11 1 1 A 70 70 VAL CB C 70 34.397 35.606 -1.209 1
1 823 . 11 1 1 A 70 70 VAL N N 70 116.632 117.291 -0.659 1
1 824 . 11 1 1 A 71 71 GLN H H 71 8.513 8.835 -0.322 1
1 825 . 11 1 1 A 71 71 GLN HA H 71 4.758 4.996 -0.238 1
1 832 . 11 1 1 A 71 71 GLN C C 71 173.404 174.430 -1.026 1
1 833 . 11 1 1 A 71 71 GLN CA C 71 52.093 52.395 -0.302 1
1 834 . 11 1 1 A 71 71 GLN CB C 71 29.467 30.996 -1.529 1
1 836 . 11 1 1 A 71 71 GLN N N 71 125.361 128.703 -3.342 1
1 838 . 11 1 1 A 72 72 PRO HA H 72 3.955 4.591 -0.636 1
1 845 . 11 1 1 A 72 72 PRO CA C 72 61.219 61.449 -0.230 1
1 846 . 11 1 1 A 72 72 PRO CB C 72 30.548 31.496 -0.948 1
1 849 . 11 1 1 A 73 73 PRO HA H 73 3.584 4.301 -0.717 1
1 856 . 11 1 1 A 73 73 PRO C C 73 175.005 176.383 -1.378 1
1 857 . 11 1 1 A 73 73 PRO CA C 73 61.764 62.262 -0.498 1
1 858 . 11 1 1 A 73 73 PRO CB C 73 30.080 31.121 -1.041 1
1 861 . 11 1 1 A 74 74 GLU H H 74 8.066 8.565 -0.499 1
1 862 . 11 1 1 A 74 74 GLU HA H 74 3.766 3.859 -0.093 1
1 867 . 11 1 1 A 74 74 GLU C C 74 177.415 177.095 0.320 1
1 868 . 11 1 1 A 74 74 GLU CA C 74 58.005 58.136 -0.131 1
1 869 . 11 1 1 A 74 74 GLU CB C 74 29.340 29.267 0.073 1
1 871 . 11 1 1 A 74 74 GLU N N 74 120.425 122.483 -2.058 1
1 872 . 11 1 1 A 75 75 GLY H H 75 8.576 8.905 -0.329 1
1 873 . 11 1 1 A 75 75 GLY HA2 H 75 4.024 3.933 0.091 1
1 874 . 11 1 1 A 75 75 GLY HA3 H 75 3.568 3.947 -0.379 1
1 875 . 11 1 1 A 75 75 GLY C C 75 174.093 174.649 -0.556 1
1 876 . 11 1 1 A 75 75 GLY CA C 75 45.299 45.136 0.163 1
1 877 . 11 1 1 A 75 75 GLY N N 75 112.779 115.247 -2.468 1
1 878 . 11 1 1 A 76 76 ARG H H 76 7.791 7.815 -0.024 1
1 879 . 11 1 1 A 76 76 ARG HA H 76 4.444 4.288 0.156 1
1 887 . 11 1 1 A 76 76 ARG C C 76 175.188 175.283 -0.095 1
1 888 . 11 1 1 A 76 76 ARG CA C 76 54.617 56.172 -1.555 1
1 889 . 11 1 1 A 76 76 ARG CB C 76 31.030 31.639 -0.609 1
1 892 . 11 1 1 A 76 76 ARG N N 76 121.088 121.183 -0.095 1
1 894 . 11 1 1 A 77 77 SER H H 77 8.235 8.372 -0.137 1
1 895 . 11 1 1 A 77 77 SER HA H 77 4.405 5.004 -0.599 1
1 898 . 11 1 1 A 77 77 SER C C 77 176.069 175.173 0.896 1
1 899 . 11 1 1 A 77 77 SER CA C 77 56.805 55.953 0.852 1
1 900 . 11 1 1 A 77 77 SER CB C 77 64.136 66.142 -2.006 1
1 901 . 11 1 1 A 77 77 SER N N 77 113.991 112.173 1.818 1
1 902 . 11 1 1 A 78 78 ARG H H 78 8.745 8.714 0.031 1
1 903 . 11 1 1 A 78 78 ARG HA H 78 3.774 4.161 -0.387 1
1 909 . 11 1 1 A 78 78 ARG C C 78 176.758 177.010 -0.252 1
1 910 . 11 1 1 A 78 78 ARG CA C 78 58.341 58.557 -0.216 1
1 911 . 11 1 1 A 78 78 ARG CB C 78 30.043 30.107 -0.064 1
1 914 . 11 1 1 A 78 78 ARG N N 78 122.262 120.177 2.085 1
1 915 . 11 1 1 A 79 79 ASP H H 79 8.106 8.152 -0.046 1
1 916 . 11 1 1 A 79 79 ASP HA H 79 4.175 4.518 -0.343 1
1 919 . 11 1 1 A 79 79 ASP C C 79 175.579 177.442 -1.863 1
1 920 . 11 1 1 A 79 79 ASP CA C 79 57.159 55.238 1.921 1
1 921 . 11 1 1 A 79 79 ASP CB C 79 40.900 40.895 0.005 1
1 922 . 11 1 1 A 79 79 ASP N N 79 115.963 118.228 -2.265 1
1 923 . 11 1 1 A 80 80 GLY H H 80 7.305 7.554 -0.249 1
1 924 . 11 1 1 A 80 80 GLY HA2 H 80 4.047 3.968 0.079 1
1 925 . 11 1 1 A 80 80 GLY HA3 H 80 3.387 3.991 -0.604 1
1 926 . 11 1 1 A 80 80 GLY C C 80 174.263 174.635 -0.372 1
1 927 . 11 1 1 A 80 80 GLY CA C 80 44.276 45.392 -1.116 1
1 928 . 11 1 1 A 80 80 GLY N N 80 101.592 107.831 -6.239 1
1 929 . 11 1 1 A 81 81 LEU H H 81 7.307 7.296 0.011 1
1 930 . 11 1 1 A 81 81 LEU HA H 81 4.494 4.204 0.290 1
1 940 . 11 1 1 A 81 81 LEU C C 81 176.212 176.464 -0.252 1
1 941 . 11 1 1 A 81 81 LEU CA C 81 56.346 55.967 0.379 1
1 942 . 11 1 1 A 81 81 LEU CB C 81 44.025 42.230 1.795 1
1 946 . 11 1 1 A 81 81 LEU N N 81 121.062 121.761 -0.699 1
1 947 . 11 1 1 A 82 82 LEU H H 82 8.286 8.821 -0.535 1
1 948 . 11 1 1 A 82 82 LEU HA H 82 5.260 5.142 0.118 1
1 958 . 11 1 1 A 82 82 LEU C C 82 175.122 174.427 0.695 1
1 959 . 11 1 1 A 82 82 LEU CA C 82 55.334 54.637 0.697 1
1 960 . 11 1 1 A 82 82 LEU CB C 82 46.064 45.858 0.206 1
1 964 . 11 1 1 A 82 82 LEU N N 82 118.524 124.962 -6.438 1
1 965 . 11 1 1 A 83 83 THR H H 83 9.095 9.037 0.058 1
1 966 . 11 1 1 A 83 83 THR HA H 83 5.305 5.424 -0.119 1
1 971 . 11 1 1 A 83 83 THR C C 83 173.754 173.296 0.458 1
1 972 . 11 1 1 A 83 83 THR CA C 83 61.076 61.624 -0.548 1
1 973 . 11 1 1 A 83 83 THR CB C 83 71.268 70.794 0.474 1
1 975 . 11 1 1 A 83 83 THR N N 83 120.894 122.386 -1.492 1
1 976 . 11 1 1 A 84 84 VAL H H 84 9.175 8.822 0.353 1
1 977 . 11 1 1 A 84 84 VAL HA H 84 4.205 4.467 -0.262 1
1 985 . 11 1 1 A 84 84 VAL C C 84 173.741 174.387 -0.646 1
1 986 . 11 1 1 A 84 84 VAL CA C 84 61.182 60.915 0.267 1
1 987 . 11 1 1 A 84 84 VAL CB C 84 32.921 34.152 -1.231 1
1 990 . 11 1 1 A 84 84 VAL N N 84 127.342 127.289 0.053 1
1 991 . 11 1 1 A 85 85 ASN H H 85 8.597 9.042 -0.445 1
1 992 . 11 1 1 A 85 85 ASN HA H 85 4.960 5.055 -0.095 1
1 997 . 11 1 1 A 85 85 ASN C C 85 174.440 174.474 -0.034 1
1 998 . 11 1 1 A 85 85 ASN CA C 85 52.870 52.915 -0.045 1
1 999 . 11 1 1 A 85 85 ASN CB C 85 39.214 40.011 -0.797 1
1 1000 . 11 1 1 A 85 85 ASN N N 85 125.999 126.356 -0.357 1
1 1002 . 11 1 1 A 86 86 LEU H H 86 8.283 8.497 -0.214 1
1 1003 . 11 1 1 A 86 86 LEU HA H 86 5.176 4.782 0.394 1
1 1013 . 11 1 1 A 86 86 LEU C C 86 178.644 177.876 0.768 1
1 1014 . 11 1 1 A 86 86 LEU CA C 86 53.700 53.496 0.204 1
1 1015 . 11 1 1 A 86 86 LEU CB C 86 42.298 43.504 -1.206 1
1 1019 . 11 1 1 A 86 86 LEU N N 86 125.763 125.150 0.613 1
1 1020 . 11 1 1 A 87 87 ARG H H 87 8.655 8.778 -0.123 1
1 1021 . 11 1 1 A 87 87 ARG HA H 87 3.905 3.913 -0.008 1
1 1028 . 11 1 1 A 87 87 ARG C C 87 177.223 177.983 -0.760 1
1 1029 . 11 1 1 A 87 87 ARG CA C 87 59.717 60.049 -0.332 1
1 1030 . 11 1 1 A 87 87 ARG CB C 87 29.280 30.354 -1.074 1
1 1033 . 11 1 1 A 87 87 ARG N N 87 123.105 122.808 0.297 1
1 1034 . 11 1 1 A 88 88 GLU H H 88 8.525 8.005 0.520 1
1 1035 . 11 1 1 A 88 88 GLU HA H 88 4.515 4.192 0.323 1
1 1040 . 11 1 1 A 88 88 GLU C C 88 175.762 176.877 -1.115 1
1 1041 . 11 1 1 A 88 88 GLU CA C 88 55.852 57.820 -1.968 1
1 1042 . 11 1 1 A 88 88 GLU CB C 88 30.249 29.736 0.513 1
1 1044 . 11 1 1 A 88 88 GLU N N 88 117.722 116.160 1.562 1
1 1045 . 11 1 1 A 89 89 GLY H H 89 8.063 8.082 -0.019 1
1 1046 . 11 1 1 A 89 89 GLY HA2 H 89 3.735 4.044 -0.309 1
1 1047 . 11 1 1 A 89 89 GLY HA3 H 89 4.536 4.045 0.491 1
1 1048 . 11 1 1 A 89 89 GLY C C 89 173.864 173.766 0.098 1
1 1049 . 11 1 1 A 89 89 GLY CA C 89 44.222 45.747 -1.525 1
1 1050 . 11 1 1 A 89 89 GLY N N 89 110.616 109.799 0.817 1
1 1051 . 11 1 1 A 90 90 SER H H 90 8.094 7.809 0.285 1
1 1052 . 11 1 1 A 90 90 SER HA H 90 4.484 5.037 -0.553 1
1 1055 . 11 1 1 A 90 90 SER C C 90 172.813 173.207 -0.394 1
1 1056 . 11 1 1 A 90 90 SER CA C 90 58.552 57.517 1.035 1
1 1057 . 11 1 1 A 90 90 SER CB C 90 63.915 66.526 -2.611 1
1 1058 . 11 1 1 A 90 90 SER N N 90 116.620 114.774 1.846 1
1 1059 . 11 1 1 A 91 91 ARG H H 91 8.285 8.416 -0.131 1
1 1060 . 11 1 1 A 91 91 ARG HA H 91 4.725 4.720 0.005 1
1 1067 . 11 1 1 A 91 91 ARG C C 91 175.511 175.398 0.113 1
1 1068 . 11 1 1 A 91 91 ARG CA C 91 55.870 55.797 0.073 1
1 1069 . 11 1 1 A 91 91 ARG CB C 91 32.058 31.104 0.954 1
1 1072 . 11 1 1 A 91 91 ARG N N 91 121.045 124.683 -3.638 1
1 1073 . 11 1 1 A 92 92 LEU H H 92 8.485 9.193 -0.708 1
1 1074 . 11 1 1 A 92 92 LEU HA H 92 4.555 4.745 -0.190 1
1 1084 . 11 1 1 A 92 92 LEU C C 92 174.815 175.628 -0.813 1
1 1085 . 11 1 1 A 92 92 LEU CA C 92 53.629 53.595 0.034 1
1 1086 . 11 1 1 A 92 92 LEU CB C 92 44.066 42.615 1.451 1
1 1090 . 11 1 1 A 92 92 LEU N N 92 123.633 124.264 -0.631 1
1 1091 . 11 1 1 A 93 93 HIS H H 93 8.871 8.969 -0.098 1
1 1092 . 11 1 1 A 93 93 HIS HA H 93 5.135 4.886 0.249 1
1 1097 . 11 1 1 A 93 93 HIS C C 93 173.251 175.033 -1.782 1
1 1098 . 11 1 1 A 93 93 HIS CA C 93 56.135 56.275 -0.140 1
1 1099 . 11 1 1 A 93 93 HIS CB C 93 30.701 29.191 1.510 1
1 1101 . 11 1 1 A 93 93 HIS N N 93 124.492 124.265 0.227 1
1 1102 . 11 1 1 A 94 94 LEU H H 94 9.105 9.369 -0.264 1
1 1103 . 11 1 1 A 94 94 LEU HA H 94 5.940 5.609 0.331 1
1 1113 . 11 1 1 A 94 94 LEU C C 94 177.396 175.502 1.894 1
1 1114 . 11 1 1 A 94 94 LEU CA C 94 52.552 53.499 -0.947 1
1 1115 . 11 1 1 A 94 94 LEU CB C 94 45.465 46.557 -1.092 1
1 1119 . 11 1 1 A 94 94 LEU N N 94 122.911 125.052 -2.141 1
1 1120 . 11 1 1 A 95 95 CYS H H 95 8.953 8.671 0.282 1
1 1121 . 11 1 1 A 95 95 CYS HA H 95 4.863 5.035 -0.172 1
1 1124 . 11 1 1 A 95 95 CYS C C 95 172.585 173.328 -0.743 1
1 1125 . 11 1 1 A 95 95 CYS CA C 95 59.964 58.022 1.942 1
1 1126 . 11 1 1 A 95 95 CYS CB C 95 29.220 31.309 -2.089 1
1 1127 . 11 1 1 A 95 95 CYS N N 95 118.920 118.928 -0.008 1
1 1128 . 11 1 1 A 96 96 ALA H H 96 9.465 8.668 0.797 1
1 1129 . 11 1 1 A 96 96 ALA HA H 96 5.035 4.803 0.232 1
1 1133 . 11 1 1 A 96 96 ALA C C 96 177.396 177.994 -0.598 1
1 1134 . 11 1 1 A 96 96 ALA CA C 96 50.205 50.346 -0.141 1
1 1135 . 11 1 1 A 96 96 ALA CB C 96 21.571 21.549 0.022 1
1 1136 . 11 1 1 A 96 96 ALA N N 96 132.924 127.911 5.013 1
1 1137 . 11 1 1 A 97 97 GLU H H 97 9.636 8.691 0.945 1
1 1138 . 11 1 1 A 97 97 GLU HA H 97 4.344 4.362 -0.018 1
1 1143 . 11 1 1 A 97 97 GLU C C 97 176.882 176.693 0.189 1
1 1144 . 11 1 1 A 97 97 GLU CA C 97 58.040 58.808 -0.768 1
1 1145 . 11 1 1 A 97 97 GLU CB C 97 30.207 31.189 -0.982 1
1 1147 . 11 1 1 A 97 97 GLU N N 97 116.636 118.683 -2.047 1
1 1148 . 11 1 1 A 98 98 THR H H 98 7.155 7.688 -0.533 1
1 1149 . 11 1 1 A 98 98 THR HA H 98 4.684 4.651 0.033 1
1 1154 . 11 1 1 A 98 98 THR C C 98 174.259 174.804 -0.545 1
1 1155 . 11 1 1 A 98 98 THR CA C 98 58.323 59.892 -1.569 1
1 1156 . 11 1 1 A 98 98 THR CB C 98 73.529 72.719 0.810 1
1 1158 . 11 1 1 A 98 98 THR N N 98 102.167 111.297 -9.130 1
1 1159 . 11 1 1 A 99 99 ARG H H 99 9.025 8.802 0.223 1
1 1160 . 11 1 1 A 99 99 ARG HA H 99 4.056 4.185 -0.129 1
1 1167 . 11 1 1 A 99 99 ARG C C 99 177.995 177.892 0.103 1
1 1168 . 11 1 1 A 99 99 ARG CA C 99 59.029 59.184 -0.155 1
1 1169 . 11 1 1 A 99 99 ARG CB C 99 30.208 29.855 0.353 1
1 1172 . 11 1 1 A 99 99 ARG N N 99 122.747 120.711 2.036 1
1 1173 . 11 1 1 A 100 100 ASP H H 100 8.387 8.289 0.098 1
1 1174 . 11 1 1 A 100 100 ASP HA H 100 4.306 4.319 -0.013 1
1 1177 . 11 1 1 A 100 100 ASP C C 100 179.110 177.959 1.151 1
1 1178 . 11 1 1 A 100 100 ASP CA C 100 57.475 57.240 0.235 1
1 1179 . 11 1 1 A 100 100 ASP CB C 100 40.201 41.166 -0.965 1
1 1180 . 11 1 1 A 100 100 ASP N N 100 116.422 119.721 -3.299 1
1 1181 . 11 1 1 A 101 101 ASP H H 101 8.046 8.201 -0.155 1
1 1182 . 11 1 1 A 101 101 ASP HA H 101 4.576 4.323 0.253 1
1 1185 . 11 1 1 A 101 101 ASP C C 101 177.751 178.613 -0.862 1
1 1186 . 11 1 1 A 101 101 ASP CA C 101 57.229 57.374 -0.145 1
1 1187 . 11 1 1 A 101 101 ASP CB C 101 42.093 40.533 1.560 1
1 1188 . 11 1 1 A 101 101 ASP N N 101 120.742 118.215 2.527 1
1 1189 . 11 1 1 A 102 102 ALA H H 102 7.674 7.709 -0.035 1
1 1190 . 11 1 1 A 102 102 ALA HA H 102 4.084 4.165 -0.081 1
1 1194 . 11 1 1 A 102 102 ALA C C 102 179.609 179.926 -0.317 1
1 1195 . 11 1 1 A 102 102 ALA CA C 102 56.364 55.255 1.109 1
1 1196 . 11 1 1 A 102 102 ALA CB C 102 17.952 18.562 -0.610 1
1 1197 . 11 1 1 A 102 102 ALA N N 102 122.523 121.809 0.714 1
1 1198 . 11 1 1 A 103 103 ILE H H 103 8.499 8.496 0.003 1
1 1199 . 11 1 1 A 103 103 ILE HA H 103 3.681 3.678 0.003 1
1 1209 . 11 1 1 A 103 103 ILE C C 103 178.622 178.113 0.509 1
1 1210 . 11 1 1 A 103 103 ILE CA C 103 64.182 65.386 -1.204 1
1 1211 . 11 1 1 A 103 103 ILE CB C 103 37.240 37.673 -0.433 1
1 1215 . 11 1 1 A 103 103 ILE N N 103 117.417 118.154 -0.737 1
1 1216 . 11 1 1 A 104 104 ALA H H 104 8.174 8.528 -0.354 1
1 1217 . 11 1 1 A 104 104 ALA HA H 104 4.095 3.976 0.119 1
1 1221 . 11 1 1 A 104 104 ALA C C 104 181.998 180.056 1.942 1
1 1222 . 11 1 1 A 104 104 ALA CA C 104 55.517 55.257 0.260 1
1 1223 . 11 1 1 A 104 104 ALA CB C 104 17.294 18.464 -1.170 1
1 1224 . 11 1 1 A 104 104 ALA N N 104 124.916 121.595 3.321 1
1 1225 . 11 1 1 A 105 105 TRP H H 105 8.365 8.023 0.342 1
1 1226 . 11 1 1 A 105 105 TRP HA H 105 4.025 4.411 -0.386 1
1 1235 . 11 1 1 A 105 105 TRP C C 105 177.969 178.747 -0.778 1
1 1236 . 11 1 1 A 105 105 TRP CA C 105 62.011 59.944 2.067 1
1 1237 . 11 1 1 A 105 105 TRP CB C 105 29.179 28.873 0.306 1
1 1243 . 11 1 1 A 105 105 TRP N N 105 119.726 118.145 1.581 1
1 1245 . 11 1 1 A 106 106 LYS H H 106 8.746 8.074 0.672 1
1 1246 . 11 1 1 A 106 106 LYS HA H 106 3.805 4.085 -0.280 1
1 1255 . 11 1 1 A 106 106 LYS C C 106 177.626 179.095 -1.469 1
1 1256 . 11 1 1 A 106 106 LYS CA C 106 60.865 59.715 1.150 1
1 1257 . 11 1 1 A 106 106 LYS CB C 106 31.606 32.513 -0.907 1
1 1261 . 11 1 1 A 106 106 LYS N N 106 120.565 120.185 0.380 1
1 1262 . 11 1 1 A 107 107 THR H H 107 8.714 8.050 0.664 1
1 1263 . 11 1 1 A 107 107 THR HA H 107 3.774 3.899 -0.125 1
1 1268 . 11 1 1 A 107 107 THR C C 107 176.238 176.325 -0.087 1
1 1269 . 11 1 1 A 107 107 THR CA C 107 66.688 66.452 0.236 1
1 1270 . 11 1 1 A 107 107 THR CB C 107 69.065 68.458 0.607 1
1 1272 . 11 1 1 A 107 107 THR N N 107 115.018 116.453 -1.435 1
1 1273 . 11 1 1 A 108 108 ALA H H 108 7.769 8.139 -0.370 1
1 1274 . 11 1 1 A 108 108 ALA HA H 108 4.094 4.073 0.021 1
1 1278 . 11 1 1 A 108 108 ALA C C 108 180.611 179.896 0.715 1
1 1279 . 11 1 1 A 108 108 ALA CA C 108 55.005 54.926 0.079 1
1 1280 . 11 1 1 A 108 108 ALA CB C 108 18.015 18.234 -0.219 1
1 1281 . 11 1 1 A 108 108 ALA N N 108 123.150 123.445 -0.295 1
1 1282 . 11 1 1 A 109 109 LEU H H 109 8.795 8.095 0.700 1
1 1283 . 11 1 1 A 109 109 LEU HA H 109 4.045 4.155 -0.110 1
1 1293 . 11 1 1 A 109 109 LEU C C 109 178.758 179.242 -0.484 1
1 1294 . 11 1 1 A 109 109 LEU CA C 109 58.093 57.784 0.309 1
1 1295 . 11 1 1 A 109 109 LEU CB C 109 42.298 42.227 0.071 1
1 1299 . 11 1 1 A 109 109 LEU N N 109 118.714 120.386 -1.672 1
1 1300 . 11 1 1 A 110 110 MET H H 110 8.582 8.646 -0.064 1
1 1301 . 11 1 1 A 110 110 MET HA H 110 4.404 4.034 0.370 1
1 1309 . 11 1 1 A 110 110 MET C C 110 180.290 178.902 1.388 1
1 1310 . 11 1 1 A 110 110 MET CA C 110 56.876 58.590 -1.714 1
1 1311 . 11 1 1 A 110 110 MET CB C 110 30.002 31.891 -1.889 1
1 1314 . 11 1 1 A 110 110 MET N N 110 117.122 116.385 0.737 1
1 1315 . 11 1 1 A 111 111 GLU H H 111 8.062 7.640 0.422 1
1 1316 . 11 1 1 A 111 111 GLU HA H 111 4.126 4.061 0.065 1
1 1321 . 11 1 1 A 111 111 GLU C C 111 179.237 178.759 0.478 1
1 1322 . 11 1 1 A 111 111 GLU CA C 111 59.435 59.017 0.418 1
1 1323 . 11 1 1 A 111 111 GLU CB C 111 29.015 29.855 -0.840 1
1 1325 . 11 1 1 A 111 111 GLU N N 111 121.532 119.584 1.948 1
1 1326 . 11 1 1 A 112 112 ALA H H 112 7.975 7.727 0.248 1
1 1327 . 11 1 1 A 112 112 ALA HA H 112 4.265 4.097 0.168 1
1 1331 . 11 1 1 A 112 112 ALA C C 112 179.608 179.793 -0.185 1
1 1332 . 11 1 1 A 112 112 ALA CA C 112 54.158 54.874 -0.716 1
1 1333 . 11 1 1 A 112 112 ALA CB C 112 19.530 18.509 1.021 1
1 1334 . 11 1 1 A 112 112 ALA N N 112 121.838 122.511 -0.673 1
1 1335 . 11 1 1 A 113 113 ASN H H 113 8.115 8.325 -0.210 1
1 1336 . 11 1 1 A 113 113 ASN HA H 113 4.822 4.547 0.275 1
1 1341 . 11 1 1 A 113 113 ASN C C 113 176.296 175.822 0.474 1
1 1342 . 11 1 1 A 113 113 ASN CA C 113 56.311 56.054 0.257 1
1 1343 . 11 1 1 A 113 113 ASN CB C 113 40.283 38.993 1.290 1
1 1344 . 11 1 1 A 113 113 ASN N N 113 115.563 118.262 -2.699 1
1 1346 . 11 1 1 A 114 114 SER H H 114 7.365 7.711 -0.346 1
1 1347 . 11 1 1 A 114 114 SER HA H 114 4.545 3.793 0.752 1
1 1350 . 11 1 1 A 114 114 SER C C 114 174.126 172.184 1.942 1
1 1351 . 11 1 1 A 114 114 SER CA C 114 58.464 57.224 1.240 1
1 1352 . 11 1 1 A 114 114 SER CB C 114 64.400 63.309 1.091 1
1 1353 . 11 1 1 A 114 114 SER N N 114 108.652 111.792 -3.140 1
1 1354 . 11 1 1 A 115 115 THR H H 115 7.849 7.275 0.574 1
1 1355 . 11 1 1 A 115 115 THR HA H 115 4.599 4.828 -0.229 1
1 1360 . 11 1 1 A 115 115 THR C C 115 172.337 172.457 -0.120 1
1 1361 . 11 1 1 A 115 115 THR CA C 115 60.817 59.149 1.668 1
1 1362 . 11 1 1 A 115 115 THR CB C 115 70.016 71.719 -1.703 1
1 1364 . 11 1 1 A 115 115 THR N N 115 118.885 115.359 3.526 1
1 1365 . 11 1 1 A 116 116 PRO HA H 116 4.404 4.769 -0.365 1
1 1372 . 11 1 1 A 116 116 PRO CA C 116 63.007 62.517 0.490 1
1 1373 . 11 1 1 A 116 116 PRO CB C 116 32.346 33.306 -0.960 1
1 1376 . 11 1 1 A 117 117 ALA H H 117 8.429 8.313 0.116 1
1 1377 . 11 1 1 A 117 117 ALA HA H 117 4.535 4.761 -0.226 1
1 1381 . 11 1 1 A 117 117 ALA CA C 117 50.359 49.942 0.417 1
1 1382 . 11 1 1 A 117 117 ALA CB C 117 18.069 21.836 -3.767 1
1 1383 . 11 1 1 A 117 117 ALA N N 117 125.693 122.515 3.178 1
1 1384 . 11 1 1 A 118 118 PRO HA H 118 4.377 4.403 -0.026 1
1 1391 . 11 1 1 A 118 118 PRO C C 118 176.656 176.697 -0.041 1
1 1392 . 11 1 1 A 118 118 PRO CA C 118 63.105 64.455 -1.350 1
1 1393 . 11 1 1 A 118 118 PRO CB C 118 31.935 31.896 0.039 1
1 1396 . 11 1 1 A 119 119 ALA H H 119 8.430 7.683 0.747 1
1 1397 . 11 1 1 A 119 119 ALA HA H 119 4.255 4.218 0.037 1
1 1401 . 11 1 1 A 119 119 ALA C C 119 178.416 177.371 1.045 1
1 1402 . 11 1 1 A 119 119 ALA CA C 119 52.744 53.205 -0.461 1
1 1403 . 11 1 1 A 119 119 ALA CB C 119 19.186 19.505 -0.319 1
1 1404 . 11 1 1 A 119 119 ALA N N 119 124.565 122.737 1.828 1
1 1405 . 11 1 1 A 120 120 GLY H H 120 8.375 8.386 -0.011 1
1 1406 . 11 1 1 A 120 120 GLY HA2 H 120 3.934 4.199 -0.265 1
1 1407 . 11 1 1 A 120 120 GLY HA3 H 120 3.934 4.204 -0.270 1
1 1408 . 11 1 1 A 120 120 GLY C C 120 173.810 172.634 1.176 1
1 1409 . 11 1 1 A 120 120 GLY CA C 120 45.176 45.694 -0.518 1
1 1410 . 11 1 1 A 120 120 GLY N N 120 108.353 106.921 1.432 1
1 1411 . 11 1 1 A 121 121 ALA H H 121 8.116 8.415 -0.299 1
1 1412 . 11 1 1 A 121 121 ALA HA H 121 4.379 4.537 -0.158 1
1 1416 . 11 1 1 A 121 121 ALA C C 121 177.908 177.019 0.889 1
1 1417 . 11 1 1 A 121 121 ALA CA C 121 52.446 51.576 0.870 1
1 1418 . 11 1 1 A 121 121 ALA CB C 121 19.433 21.021 -1.588 1
1 1419 . 11 1 1 A 121 121 ALA N N 121 123.561 125.512 -1.951 1
1 1420 . 11 1 1 A 122 122 THR H H 122 8.212 8.743 -0.531 1
1 1421 . 11 1 1 A 122 122 THR C C 122 174.317 174.407 -0.090 1
1 1422 . 11 1 1 A 122 122 THR CA C 122 61.888 62.376 -0.488 1
1 1423 . 11 1 1 A 122 122 THR CB C 122 69.648 68.345 1.303 1
1 1425 . 11 1 1 A 122 122 THR N N 122 114.319 117.135 -2.816 1
1 1426 . 11 1 1 A 123 123 VAL H H 123 8.222 8.590 -0.368 1
1 1427 . 11 1 1 A 123 123 VAL HA H 123 4.455 4.720 -0.265 1
1 1435 . 11 1 1 A 123 123 VAL C C 123 174.373 172.912 1.461 1
1 1436 . 11 1 1 A 123 123 VAL CA C 123 59.717 58.211 1.506 1
1 1437 . 11 1 1 A 123 123 VAL CB C 123 32.593 35.097 -2.504 1
1 1440 . 11 1 1 A 123 123 VAL N N 123 124.311 119.773 4.538 1
1 1441 . 11 1 1 A 124 124 PRO HA H 124 4.403 4.743 -0.340 1
1 1446 . 11 1 1 A 124 124 PRO C C 124 176.873 176.490 0.383 1
1 1447 . 11 1 1 A 124 124 PRO CA C 124 63.211 62.181 1.030 1
1 1448 . 11 1 1 A 124 124 PRO CB C 124 32.017 30.499 1.518 1
1 1451 . 11 1 1 A 125 125 SER H H 125 8.426 8.179 0.247 1
1 1452 . 11 1 1 A 125 125 SER HA H 125 4.448 4.574 -0.126 1
1 1455 . 11 1 1 A 125 125 SER C C 125 174.598 174.308 0.290 1
1 1456 . 11 1 1 A 125 125 SER CA C 125 58.341 58.156 0.185 1
1 1457 . 11 1 1 A 125 125 SER CB C 125 64.054 64.578 -0.524 1
1 1458 . 11 1 1 A 125 125 SER N N 125 116.463 118.526 -2.063 1
1 1459 . 11 1 1 A 126 126 GLY H H 126 8.233 8.435 -0.202 1
1 1460 . 11 1 1 A 126 126 GLY C C 126 171.756 171.731 0.025 1
1 1461 . 11 1 1 A 126 126 GLY CA C 126 44.611 45.685 -1.074 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.445 5.195 -0.750 1
1 4 . 12 1 1 A 6 6 SER C C 6 174.707 173.577 1.130 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.482 56.816 1.666 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.848 64.910 -1.062 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.494 8.486 0.008 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 4.105 4.207 -0.102 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 4.105 4.224 -0.119 1
1 10 . 12 1 1 A 7 7 GLY C C 7 172.961 171.784 1.177 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.864 46.001 -0.137 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.325 112.155 -1.830 1
1 13 . 12 1 1 A 8 8 LEU H H 8 8.295 8.878 -0.583 1
1 14 . 12 1 1 A 8 8 LEU HA H 8 4.268 5.077 -0.809 1
1 24 . 12 1 1 A 8 8 LEU C C 8 176.773 175.911 0.862 1
1 25 . 12 1 1 A 8 8 LEU CA C 8 55.587 53.593 1.994 1
1 26 . 12 1 1 A 8 8 LEU CB C 8 43.367 45.370 -2.003 1
1 30 . 12 1 1 A 8 8 LEU N N 8 123.800 123.833 -0.033 1
1 31 . 12 1 1 A 9 9 VAL H H 9 9.290 8.405 0.885 1
1 32 . 12 1 1 A 9 9 VAL HA H 9 3.826 4.122 -0.296 1
1 40 . 12 1 1 A 9 9 VAL C C 9 176.540 175.862 0.678 1
1 41 . 12 1 1 A 9 9 VAL CA C 9 64.888 63.533 1.355 1
1 42 . 12 1 1 A 9 9 VAL CB C 9 32.264 32.813 -0.549 1
1 45 . 12 1 1 A 9 9 VAL N N 9 129.415 124.165 5.250 1
1 46 . 12 1 1 A 10 10 ARG H H 10 7.135 7.564 -0.429 1
1 47 . 12 1 1 A 10 10 ARG HA H 10 4.126 4.693 -0.567 1
1 55 . 12 1 1 A 10 10 ARG C C 10 171.942 174.128 -2.186 1
1 56 . 12 1 1 A 10 10 ARG CA C 10 55.800 54.965 0.835 1
1 57 . 12 1 1 A 10 10 ARG CB C 10 32.223 33.547 -1.324 1
1 60 . 12 1 1 A 10 10 ARG N N 10 117.246 118.306 -1.060 1
1 62 . 12 1 1 A 11 11 GLY H H 11 8.390 8.603 -0.213 1
1 63 . 12 1 1 A 11 11 GLY HA2 H 11 3.204 4.155 -0.951 1
1 64 . 12 1 1 A 11 11 GLY HA3 H 11 5.336 4.406 0.930 1
1 65 . 12 1 1 A 11 11 GLY C C 11 172.895 172.775 0.120 1
1 66 . 12 1 1 A 11 11 GLY CA C 11 43.481 45.297 -1.816 1
1 67 . 12 1 1 A 11 11 GLY N N 11 113.527 110.733 2.794 1
1 68 . 12 1 1 A 12 12 GLY H H 12 7.935 8.834 -0.899 1
1 69 . 12 1 1 A 12 12 GLY C C 12 171.502 172.684 -1.182 1
1 70 . 12 1 1 A 12 12 GLY CA C 12 46.093 44.429 1.664 1
1 71 . 12 1 1 A 13 13 TRP H H 13 8.904 9.002 -0.098 1
1 72 . 12 1 1 A 13 13 TRP HA H 13 5.205 5.391 -0.186 1
1 81 . 12 1 1 A 13 13 TRP C C 13 177.926 176.651 1.275 1
1 82 . 12 1 1 A 13 13 TRP CA C 13 57.846 57.675 0.171 1
1 83 . 12 1 1 A 13 13 TRP CB C 13 30.290 30.790 -0.500 1
1 89 . 12 1 1 A 13 13 TRP N N 13 121.758 121.783 -0.025 1
1 91 . 12 1 1 A 14 14 LEU H H 14 9.295 9.014 0.281 1
1 92 . 12 1 1 A 14 14 LEU HA H 14 4.683 4.826 -0.143 1
1 102 . 12 1 1 A 14 14 LEU C C 14 175.828 176.295 -0.467 1
1 103 . 12 1 1 A 14 14 LEU CA C 14 54.670 53.818 0.852 1
1 104 . 12 1 1 A 14 14 LEU CB C 14 47.562 45.766 1.796 1
1 108 . 12 1 1 A 14 14 LEU N N 14 123.447 122.340 1.107 1
1 109 . 12 1 1 A 15 15 TRP H H 15 8.655 8.539 0.116 1
1 110 . 12 1 1 A 15 15 TRP HA H 15 5.315 5.381 -0.066 1
1 119 . 12 1 1 A 15 15 TRP C C 15 175.899 176.065 -0.166 1
1 120 . 12 1 1 A 15 15 TRP CA C 15 57.159 57.875 -0.716 1
1 121 . 12 1 1 A 15 15 TRP CB C 15 30.759 30.145 0.614 1
1 127 . 12 1 1 A 15 15 TRP N N 15 119.571 124.912 -5.341 1
1 129 . 12 1 1 A 16 16 ARG H H 16 10.145 9.592 0.553 1
1 130 . 12 1 1 A 16 16 ARG HA H 16 5.495 5.468 0.027 1
1 138 . 12 1 1 A 16 16 ARG C C 16 174.930 174.812 0.118 1
1 139 . 12 1 1 A 16 16 ARG CA C 16 54.334 53.997 0.337 1
1 140 . 12 1 1 A 16 16 ARG CB C 16 34.808 33.495 1.313 1
1 143 . 12 1 1 A 16 16 ARG N N 16 121.997 125.800 -3.803 1
1 145 . 12 1 1 A 17 17 GLN H H 17 8.233 8.071 0.162 1
1 146 . 12 1 1 A 17 17 GLN HA H 17 3.797 4.434 -0.637 1
1 153 . 12 1 1 A 17 17 GLN C C 17 175.654 175.141 0.513 1
1 154 . 12 1 1 A 17 17 GLN CA C 17 55.446 54.464 0.982 1
1 155 . 12 1 1 A 17 17 GLN CB C 17 29.056 29.803 -0.747 1
1 157 . 12 1 1 A 17 17 GLN N N 17 128.414 127.238 1.176 1
1 159 . 12 1 1 A 18 18 SER H H 18 8.635 8.418 0.217 1
1 160 . 12 1 1 A 18 18 SER HA H 18 4.575 4.568 0.007 1
1 163 . 12 1 1 A 18 18 SER C C 18 175.585 175.024 0.561 1
1 164 . 12 1 1 A 18 18 SER CA C 18 57.246 57.329 -0.083 1
1 165 . 12 1 1 A 18 18 SER CB C 18 64.012 64.671 -0.659 1
1 166 . 12 1 1 A 18 18 SER N N 18 122.600 122.612 -0.012 1
1 167 . 12 1 1 A 20 20 ILE H H 20 7.976 7.965 0.011 1
1 168 . 12 1 1 A 20 20 ILE HA H 20 4.036 3.720 0.316 1
1 178 . 12 1 1 A 20 20 ILE C C 20 176.929 178.413 -1.484 1
1 179 . 12 1 1 A 20 20 ILE CA C 20 62.929 64.402 -1.473 1
1 180 . 12 1 1 A 20 20 ILE CB C 20 37.912 38.089 -0.177 1
1 184 . 12 1 1 A 20 20 ILE N N 20 120.700 120.157 0.543 1
1 185 . 12 1 1 A 21 21 LEU H H 21 8.089 7.828 0.261 1
1 186 . 12 1 1 A 21 21 LEU HA H 21 4.159 4.185 -0.026 1
1 196 . 12 1 1 A 21 21 LEU C C 21 176.455 176.482 -0.027 1
1 197 . 12 1 1 A 21 21 LEU CA C 21 55.287 55.502 -0.215 1
1 198 . 12 1 1 A 21 21 LEU CB C 21 42.051 41.726 0.325 1
1 202 . 12 1 1 A 21 21 LEU N N 21 119.540 119.717 -0.177 1
1 203 . 12 1 1 A 22 22 ARG H H 22 7.687 7.973 -0.286 1
1 204 . 12 1 1 A 22 22 ARG HA H 22 3.806 3.898 -0.092 1
1 211 . 12 1 1 A 22 22 ARG C C 22 175.087 175.170 -0.083 1
1 212 . 12 1 1 A 22 22 ARG CA C 22 56.788 56.924 -0.136 1
1 213 . 12 1 1 A 22 22 ARG CB C 22 27.130 27.779 -0.649 1
1 216 . 12 1 1 A 22 22 ARG N N 22 114.383 117.754 -3.371 1
1 217 . 12 1 1 A 23 23 ARG H H 23 7.392 7.685 -0.293 1
1 218 . 12 1 1 A 23 23 ARG HA H 23 4.603 4.914 -0.311 1
1 225 . 12 1 1 A 23 23 ARG C C 23 176.112 174.424 1.688 1
1 226 . 12 1 1 A 23 23 ARG CA C 23 54.846 54.455 0.391 1
1 227 . 12 1 1 A 23 23 ARG CB C 23 32.387 33.694 -1.307 1
1 230 . 12 1 1 A 23 23 ARG N N 23 115.846 119.443 -3.597 1
1 231 . 12 1 1 A 24 24 TRP H H 24 9.013 8.821 0.192 1
1 232 . 12 1 1 A 24 24 TRP HA H 24 5.154 5.157 -0.003 1
1 241 . 12 1 1 A 24 24 TRP C C 24 176.347 176.723 -0.376 1
1 242 . 12 1 1 A 24 24 TRP CA C 24 57.546 58.226 -0.680 1
1 243 . 12 1 1 A 24 24 TRP CB C 24 31.112 30.870 0.242 1
1 249 . 12 1 1 A 24 24 TRP N N 24 123.861 124.738 -0.877 1
1 251 . 12 1 1 A 25 25 LYS H H 25 9.553 9.763 -0.210 1
1 252 . 12 1 1 A 25 25 LYS HA H 25 4.992 5.383 -0.391 1
1 261 . 12 1 1 A 25 25 LYS C C 25 173.887 175.317 -1.430 1
1 262 . 12 1 1 A 25 25 LYS CA C 25 55.023 54.668 0.355 1
1 263 . 12 1 1 A 25 25 LYS CB C 25 35.965 36.280 -0.315 1
1 267 . 12 1 1 A 25 25 LYS N N 25 123.241 120.945 2.296 1
1 268 . 12 1 1 A 26 26 ARG H H 26 8.705 8.599 0.106 1
1 269 . 12 1 1 A 26 26 ARG HA H 26 4.494 4.300 0.194 1
1 276 . 12 1 1 A 26 26 ARG C C 26 175.755 176.318 -0.563 1
1 277 . 12 1 1 A 26 26 ARG CA C 26 56.046 56.156 -0.110 1
1 278 . 12 1 1 A 26 26 ARG CB C 26 30.783 30.670 0.113 1
1 281 . 12 1 1 A 26 26 ARG N N 26 124.843 122.569 2.274 1
1 282 . 12 1 1 A 27 27 ASN H H 27 9.100 8.655 0.445 1
1 283 . 12 1 1 A 27 27 ASN HA H 27 5.235 5.153 0.082 1
1 288 . 12 1 1 A 27 27 ASN CA C 27 54.041 52.136 1.905 1
1 289 . 12 1 1 A 27 27 ASN CB C 27 46.737 42.581 4.156 1
1 290 . 12 1 1 A 27 27 ASN N N 27 123.044 120.812 2.232 1
1 292 . 12 1 1 A 28 28 TRP H H 28 7.835 8.471 -0.636 1
1 293 . 12 1 1 A 28 28 TRP HA H 28 4.105 4.614 -0.509 1
1 299 . 12 1 1 A 28 28 TRP N N 28 122.540 125.658 -3.118 1
1 300 . 12 1 1 A 29 29 PHE H H 29 8.755 8.599 0.156 1
1 301 . 12 1 1 A 29 29 PHE HA H 29 5.001 4.798 0.203 1
1 309 . 12 1 1 A 29 29 PHE CA C 29 56.692 57.019 -0.327 1
1 310 . 12 1 1 A 29 29 PHE CB C 29 42.284 40.288 1.996 1
1 316 . 12 1 1 A 29 29 PHE N N 29 129.716 126.722 2.994 1
1 317 . 12 1 1 A 30 30 ALA H H 30 8.695 8.393 0.302 1
1 321 . 12 1 1 A 30 30 ALA C C 30 173.958 174.464 -0.506 1
1 322 . 12 1 1 A 30 30 ALA CA C 30 50.611 50.194 0.417 1
1 323 . 12 1 1 A 30 30 ALA CB C 30 22.570 21.743 0.827 1
1 324 . 12 1 1 A 31 31 LEU H H 31 8.815 8.050 0.765 1
1 325 . 12 1 1 A 31 31 LEU HA H 31 5.003 4.791 0.212 1
1 335 . 12 1 1 A 31 31 LEU C C 31 174.414 174.293 0.121 1
1 336 . 12 1 1 A 31 31 LEU CA C 31 53.240 53.519 -0.279 1
1 337 . 12 1 1 A 31 31 LEU CB C 31 44.783 44.575 0.208 1
1 341 . 12 1 1 A 31 31 LEU N N 31 124.610 124.161 0.449 1
1 342 . 12 1 1 A 32 32 TRP H H 32 9.045 8.736 0.309 1
1 343 . 12 1 1 A 32 32 TRP HA H 32 5.499 5.108 0.391 1
1 352 . 12 1 1 A 32 32 TRP C C 32 178.871 177.180 1.691 1
1 353 . 12 1 1 A 32 32 TRP CA C 32 55.552 56.249 -0.697 1
1 354 . 12 1 1 A 32 32 TRP CB C 32 32.346 31.831 0.515 1
1 360 . 12 1 1 A 32 32 TRP N N 32 128.500 127.261 1.239 1
1 362 . 12 1 1 A 33 33 LEU H H 33 9.246 8.902 0.344 1
1 363 . 12 1 1 A 33 33 LEU HA H 33 4.075 3.984 0.091 1
1 373 . 12 1 1 A 33 33 LEU C C 33 176.859 178.715 -1.856 1
1 374 . 12 1 1 A 33 33 LEU CA C 33 57.035 57.849 -0.814 1
1 375 . 12 1 1 A 33 33 LEU CB C 33 42.651 41.301 1.350 1
1 379 . 12 1 1 A 33 33 LEU N N 33 123.838 125.774 -1.936 1
1 380 . 12 1 1 A 34 34 ASP H H 34 7.536 7.953 -0.417 1
1 381 . 12 1 1 A 34 34 ASP HA H 34 4.395 4.593 -0.198 1
1 384 . 12 1 1 A 34 34 ASP C C 34 177.113 176.255 0.858 1
1 385 . 12 1 1 A 34 34 ASP CA C 34 53.805 54.543 -0.738 1
1 386 . 12 1 1 A 34 34 ASP CB C 34 39.625 41.113 -1.488 1
1 387 . 12 1 1 A 34 34 ASP N N 34 115.948 117.283 -1.335 1
1 388 . 12 1 1 A 35 35 GLY H H 35 8.264 8.663 -0.399 1
1 389 . 12 1 1 A 35 35 GLY HA2 H 35 4.205 3.950 0.255 1
1 390 . 12 1 1 A 35 35 GLY HA3 H 35 3.895 3.973 -0.078 1
1 391 . 12 1 1 A 35 35 GLY C C 35 173.898 173.877 0.021 1
1 392 . 12 1 1 A 35 35 GLY CA C 35 46.216 46.143 0.073 1
1 393 . 12 1 1 A 35 35 GLY N N 35 106.508 107.707 -1.199 1
1 394 . 12 1 1 A 36 36 THR H H 36 8.035 7.699 0.336 1
1 395 . 12 1 1 A 36 36 THR HA H 36 5.123 5.135 -0.012 1
1 400 . 12 1 1 A 36 36 THR C C 36 170.669 173.013 -2.344 1
1 401 . 12 1 1 A 36 36 THR CA C 36 60.588 59.298 1.290 1
1 402 . 12 1 1 A 36 36 THR CB C 36 72.314 72.482 -0.168 1
1 404 . 12 1 1 A 36 36 THR N N 36 112.047 110.340 1.707 1
1 405 . 12 1 1 A 37 37 LEU H H 37 9.344 9.326 0.018 1
1 406 . 12 1 1 A 37 37 LEU HA H 37 5.616 5.110 0.506 1
1 416 . 12 1 1 A 37 37 LEU C C 37 175.787 174.815 0.972 1
1 417 . 12 1 1 A 37 37 LEU CA C 37 52.799 53.794 -0.995 1
1 418 . 12 1 1 A 37 37 LEU CB C 37 46.698 44.703 1.995 1
1 422 . 12 1 1 A 37 37 LEU N N 37 122.915 123.845 -0.930 1
1 423 . 12 1 1 A 38 38 GLY H H 38 9.685 8.829 0.856 1
1 424 . 12 1 1 A 38 38 GLY HA2 H 38 5.074 3.992 1.082 1
1 425 . 12 1 1 A 38 38 GLY HA3 H 38 3.825 4.203 -0.378 1
1 426 . 12 1 1 A 38 38 GLY C C 38 172.258 172.192 0.066 1
1 427 . 12 1 1 A 38 38 GLY CA C 38 43.676 44.127 -0.451 1
1 428 . 12 1 1 A 38 38 GLY N N 38 113.092 114.200 -1.108 1
1 429 . 12 1 1 A 39 39 TYR H H 39 7.362 7.942 -0.580 1
1 430 . 12 1 1 A 39 39 TYR HA H 39 5.251 5.679 -0.428 1
1 437 . 12 1 1 A 39 39 TYR C C 39 175.367 174.091 1.276 1
1 438 . 12 1 1 A 39 39 TYR CA C 39 54.282 54.900 -0.618 1
1 439 . 12 1 1 A 39 39 TYR CB C 39 37.774 40.575 -2.801 1
1 444 . 12 1 1 A 39 39 TYR N N 39 113.951 119.046 -5.095 1
1 445 . 12 1 1 A 40 40 TYR H H 40 9.315 8.891 0.424 1
1 446 . 12 1 1 A 40 40 TYR HA H 40 5.305 4.751 0.554 1
1 453 . 12 1 1 A 40 40 TYR C C 40 177.694 176.106 1.588 1
1 454 . 12 1 1 A 40 40 TYR CA C 40 57.185 56.880 0.305 1
1 455 . 12 1 1 A 40 40 TYR CB C 40 43.779 42.083 1.696 1
1 460 . 12 1 1 A 40 40 TYR N N 40 117.930 120.245 -2.315 1
1 461 . 12 1 1 A 41 41 HIS H H 41 8.658 8.805 -0.147 1
1 462 . 12 1 1 A 41 41 HIS HA H 41 4.654 4.496 0.158 1
1 467 . 12 1 1 A 41 41 HIS C C 41 174.858 174.713 0.145 1
1 468 . 12 1 1 A 41 41 HIS CA C 41 59.159 59.339 -0.180 1
1 469 . 12 1 1 A 41 41 HIS CB C 41 31.094 30.273 0.821 1
1 472 . 12 1 1 A 41 41 HIS N N 41 121.927 120.820 1.107 1
1 473 . 12 1 1 A 42 42 ASP H H 42 8.095 8.162 -0.067 1
1 474 . 12 1 1 A 42 42 ASP HA H 42 4.795 5.021 -0.226 1
1 477 . 12 1 1 A 42 42 ASP C C 42 175.052 176.921 -1.869 1
1 478 . 12 1 1 A 42 42 ASP CA C 42 53.155 52.189 0.966 1
1 479 . 12 1 1 A 42 42 ASP CB C 42 41.860 43.862 -2.002 1
1 480 . 12 1 1 A 42 42 ASP N N 42 112.020 116.139 -4.119 1
1 481 . 12 1 1 A 43 43 GLU H H 43 8.899 8.983 -0.084 1
1 482 . 12 1 1 A 43 43 GLU C C 43 176.336 176.671 -0.335 1
1 483 . 12 1 1 A 43 43 GLU CA C 43 57.021 58.671 -1.650 1
1 484 . 12 1 1 A 43 43 GLU CB C 43 27.493 28.792 -1.299 1
1 485 . 12 1 1 A 43 43 GLU N N 43 116.402 121.967 -5.565 1
1 486 . 12 1 1 A 44 44 THR H H 44 8.093 7.637 0.456 1
1 487 . 12 1 1 A 44 44 THR HA H 44 3.915 4.332 -0.417 1
1 492 . 12 1 1 A 44 44 THR CA C 44 63.143 61.618 1.525 1
1 493 . 12 1 1 A 44 44 THR CB C 44 69.620 68.713 0.907 1
1 495 . 12 1 1 A 44 44 THR N N 44 111.376 112.015 -0.639 1
1 496 . 12 1 1 A 45 45 ALA H H 45 7.815 8.851 -1.036 1
1 497 . 12 1 1 A 45 45 ALA HA H 45 3.430 4.111 -0.681 1
1 501 . 12 1 1 A 45 45 ALA C C 45 175.091 177.894 -2.803 1
1 502 . 12 1 1 A 45 45 ALA CA C 45 53.434 51.863 1.571 1
1 503 . 12 1 1 A 45 45 ALA CB C 45 15.567 17.646 -2.079 1
1 504 . 12 1 1 A 46 46 GLN H H 46 7.869 7.868 0.001 1
1 505 . 12 1 1 A 46 46 GLN HA H 46 4.238 4.467 -0.229 1
1 512 . 12 1 1 A 46 46 GLN C C 46 176.190 175.850 0.340 1
1 513 . 12 1 1 A 46 46 GLN CA C 46 56.929 56.328 0.601 1
1 514 . 12 1 1 A 46 46 GLN CB C 46 30.454 29.533 0.921 1
1 516 . 12 1 1 A 46 46 GLN N N 46 115.953 117.167 -1.214 1
1 518 . 12 1 1 A 47 47 ASP H H 47 8.326 8.173 0.153 1
1 519 . 12 1 1 A 47 47 ASP HA H 47 4.954 4.909 0.045 1
1 522 . 12 1 1 A 47 47 ASP C C 47 173.846 175.047 -1.201 1
1 523 . 12 1 1 A 47 47 ASP CA C 47 52.993 53.025 -0.032 1
1 524 . 12 1 1 A 47 47 ASP CB C 47 41.558 40.927 0.631 1
1 525 . 12 1 1 A 47 47 ASP N N 47 119.830 119.819 0.011 1
1 526 . 12 1 1 A 48 48 GLU H H 48 8.756 8.408 0.348 1
1 527 . 12 1 1 A 48 48 GLU HA H 48 3.785 3.630 0.155 1
1 532 . 12 1 1 A 48 48 GLU C C 48 175.892 176.898 -1.006 1
1 533 . 12 1 1 A 48 48 GLU CA C 48 56.470 56.370 0.100 1
1 534 . 12 1 1 A 48 48 GLU CB C 48 32.264 30.261 2.003 1
1 536 . 12 1 1 A 48 48 GLU N N 48 125.923 124.028 1.895 1
1 537 . 12 1 1 A 49 49 GLU H H 49 8.945 8.358 0.587 1
1 538 . 12 1 1 A 49 49 GLU HA H 49 4.164 4.089 0.075 1
1 543 . 12 1 1 A 49 49 GLU C C 49 176.040 175.819 0.221 1
1 544 . 12 1 1 A 49 49 GLU CA C 49 58.447 58.385 0.062 1
1 545 . 12 1 1 A 49 49 GLU CB C 49 30.207 30.460 -0.253 1
1 547 . 12 1 1 A 49 49 GLU N N 49 129.751 126.943 2.808 1
1 548 . 12 1 1 A 50 50 ASP H H 50 6.736 6.959 -0.223 1
1 549 . 12 1 1 A 50 50 ASP HA H 50 4.355 4.749 -0.394 1
1 552 . 12 1 1 A 50 50 ASP C C 50 172.562 173.384 -0.822 1
1 553 . 12 1 1 A 50 50 ASP CA C 50 52.729 53.191 -0.462 1
1 554 . 12 1 1 A 50 50 ASP CB C 50 43.737 43.943 -0.206 1
1 555 . 12 1 1 A 50 50 ASP N N 50 113.574 114.943 -1.369 1
1 556 . 12 1 1 A 51 51 ARG H H 51 8.532 8.599 -0.067 1
1 557 . 12 1 1 A 51 51 ARG HA H 51 5.005 4.872 0.133 1
1 565 . 12 1 1 A 51 51 ARG C C 51 174.656 174.501 0.155 1
1 566 . 12 1 1 A 51 51 ARG CA C 51 55.605 55.433 0.172 1
1 567 . 12 1 1 A 51 51 ARG CB C 51 33.520 33.919 -0.399 1
1 570 . 12 1 1 A 51 51 ARG N N 51 117.888 122.623 -4.735 1
1 572 . 12 1 1 A 52 52 VAL H H 52 9.155 9.090 0.065 1
1 573 . 12 1 1 A 52 52 VAL HA H 52 4.616 5.018 -0.402 1
1 581 . 12 1 1 A 52 52 VAL C C 52 174.710 175.032 -0.322 1
1 582 . 12 1 1 A 52 52 VAL CA C 52 59.382 59.553 -0.171 1
1 583 . 12 1 1 A 52 52 VAL CB C 52 35.266 34.459 0.807 1
1 586 . 12 1 1 A 52 52 VAL N N 52 121.629 122.063 -0.434 1
1 587 . 12 1 1 A 53 53 VAL H H 53 8.956 8.970 -0.014 1
1 588 . 12 1 1 A 53 53 VAL HA H 53 3.745 4.253 -0.508 1
1 596 . 12 1 1 A 53 53 VAL C C 53 174.610 175.647 -1.037 1
1 597 . 12 1 1 A 53 53 VAL CA C 53 64.676 62.666 2.010 1
1 598 . 12 1 1 A 53 53 VAL CB C 53 32.305 32.269 0.036 1
1 601 . 12 1 1 A 53 53 VAL N N 53 125.547 122.841 2.706 1
1 602 . 12 1 1 A 54 54 ILE H H 54 8.705 9.030 -0.325 1
1 603 . 12 1 1 A 54 54 ILE HA H 54 4.324 4.288 0.036 1
1 613 . 12 1 1 A 54 54 ILE C C 54 176.747 176.213 0.534 1
1 614 . 12 1 1 A 54 54 ILE CA C 54 58.623 62.725 -4.102 1
1 615 . 12 1 1 A 54 54 ILE CB C 54 36.787 39.132 -2.345 1
1 619 . 12 1 1 A 54 54 ILE N N 54 126.147 126.619 -0.472 1
1 620 . 12 1 1 A 55 55 HIS H H 55 7.913 7.671 0.242 1
1 621 . 12 1 1 A 55 55 HIS HA H 55 4.626 4.096 0.530 1
1 626 . 12 1 1 A 55 55 HIS C C 55 174.365 175.550 -1.185 1
1 627 . 12 1 1 A 55 55 HIS CA C 55 57.917 56.649 1.268 1
1 628 . 12 1 1 A 55 55 HIS CB C 55 29.796 29.561 0.235 1
1 631 . 12 1 1 A 55 55 HIS N N 55 119.790 123.465 -3.675 1
1 632 . 12 1 1 A 56 56 PHE H H 56 9.382 8.630 0.752 1
1 633 . 12 1 1 A 56 56 PHE HA H 56 4.225 4.327 -0.102 1
1 641 . 12 1 1 A 56 56 PHE C C 56 175.781 175.102 0.679 1
1 642 . 12 1 1 A 56 56 PHE CA C 56 57.593 58.335 -0.742 1
1 643 . 12 1 1 A 56 56 PHE CB C 56 36.664 35.970 0.694 1
1 649 . 12 1 1 A 56 56 PHE N N 56 124.614 123.037 1.577 1
1 650 . 12 1 1 A 57 57 ASN H H 57 8.755 7.725 1.030 1
1 651 . 12 1 1 A 57 57 ASN HA H 57 5.319 5.054 0.265 1
1 656 . 12 1 1 A 57 57 ASN C C 57 175.317 175.451 -0.134 1
1 657 . 12 1 1 A 57 57 ASN CA C 57 52.129 54.187 -2.058 1
1 658 . 12 1 1 A 57 57 ASN CB C 57 41.640 41.347 0.293 1
1 659 . 12 1 1 A 57 57 ASN N N 57 114.893 116.250 -1.357 1
1 661 . 12 1 1 A 58 58 VAL H H 58 8.606 7.507 1.099 1
1 662 . 12 1 1 A 58 58 VAL HA H 58 4.138 4.386 -0.248 1
1 670 . 12 1 1 A 58 58 VAL C C 58 175.486 176.110 -0.624 1
1 671 . 12 1 1 A 58 58 VAL CA C 58 63.035 63.410 -0.375 1
1 672 . 12 1 1 A 58 58 VAL CB C 58 32.733 31.823 0.910 1
1 675 . 12 1 1 A 58 58 VAL N N 58 121.476 118.552 2.924 1
1 676 . 12 1 1 A 59 59 ARG H H 59 9.233 9.054 0.179 1
1 677 . 12 1 1 A 59 59 ARG HA H 59 4.184 4.322 -0.138 1
1 684 . 12 1 1 A 59 59 ARG C C 59 175.572 175.693 -0.121 1
1 685 . 12 1 1 A 59 59 ARG CA C 59 58.093 57.432 0.661 1
1 686 . 12 1 1 A 59 59 ARG CB C 59 31.236 31.581 -0.345 1
1 689 . 12 1 1 A 59 59 ARG N N 59 128.965 129.419 -0.454 1
1 690 . 12 1 1 A 60 60 ASP H H 60 7.745 7.766 -0.021 1
1 691 . 12 1 1 A 60 60 ASP HA H 60 4.485 5.029 -0.544 1
1 694 . 12 1 1 A 60 60 ASP C C 60 173.047 173.399 -0.352 1
1 695 . 12 1 1 A 60 60 ASP CA C 60 53.911 53.360 0.551 1
1 696 . 12 1 1 A 60 60 ASP CB C 60 42.874 43.675 -0.801 1
1 697 . 12 1 1 A 60 60 ASP N N 60 113.170 114.665 -1.495 1
1 698 . 12 1 1 A 61 61 ILE H H 61 8.398 8.581 -0.183 1
1 699 . 12 1 1 A 61 61 ILE HA H 61 5.055 4.934 0.121 1
1 709 . 12 1 1 A 61 61 ILE C C 61 174.897 174.541 0.356 1
1 710 . 12 1 1 A 61 61 ILE CA C 61 60.511 60.177 0.334 1
1 711 . 12 1 1 A 61 61 ILE CB C 61 41.558 41.737 -0.179 1
1 715 . 12 1 1 A 61 61 ILE N N 61 118.375 120.827 -2.452 1
1 716 . 12 1 1 A 62 62 LYS H H 62 8.619 8.769 -0.150 1
1 717 . 12 1 1 A 62 62 LYS HA H 62 4.711 5.021 -0.310 1
1 726 . 12 1 1 A 62 62 LYS C C 62 174.636 175.448 -0.812 1
1 727 . 12 1 1 A 62 62 LYS CA C 62 53.947 54.497 -0.550 1
1 728 . 12 1 1 A 62 62 LYS CB C 62 35.677 36.170 -0.493 1
1 732 . 12 1 1 A 62 62 LYS N N 62 128.701 126.001 2.700 1
1 733 . 12 1 1 A 63 63 VAL H H 63 8.946 8.703 0.243 1
1 734 . 12 1 1 A 63 63 VAL HA H 63 5.073 4.578 0.495 1
1 742 . 12 1 1 A 63 63 VAL C C 63 177.772 176.272 1.500 1
1 743 . 12 1 1 A 63 63 VAL CA C 63 59.734 60.952 -1.218 1
1 744 . 12 1 1 A 63 63 VAL CB C 63 36.210 34.588 1.622 1
1 747 . 12 1 1 A 63 63 VAL N N 63 120.053 121.320 -1.267 1
1 748 . 12 1 1 A 64 64 GLY H H 64 9.804 8.870 0.934 1
1 749 . 12 1 1 A 64 64 GLY HA2 H 64 4.415 3.955 0.460 1
1 750 . 12 1 1 A 64 64 GLY HA3 H 64 3.906 3.958 -0.052 1
1 751 . 12 1 1 A 64 64 GLY C C 64 176.864 175.050 1.814 1
1 752 . 12 1 1 A 64 64 GLY CA C 64 47.063 46.978 0.085 1
1 753 . 12 1 1 A 64 64 GLY N N 64 118.354 114.573 3.781 1
1 754 . 12 1 1 A 65 65 GLN H H 65 9.045 8.847 0.198 1
1 755 . 12 1 1 A 65 65 GLN HA H 65 3.944 4.073 -0.129 1
1 762 . 12 1 1 A 65 65 GLN C C 65 176.698 178.291 -1.593 1
1 763 . 12 1 1 A 65 65 GLN CA C 65 57.793 58.656 -0.863 1
1 764 . 12 1 1 A 65 65 GLN CB C 65 27.822 28.501 -0.679 1
1 766 . 12 1 1 A 65 65 GLN N N 65 124.600 124.864 -0.264 1
1 768 . 12 1 1 A 66 66 GLU H H 66 7.886 7.931 -0.045 1
1 769 . 12 1 1 A 66 66 GLU HA H 66 4.145 4.054 0.091 1
1 774 . 12 1 1 A 66 66 GLU C C 66 178.049 177.425 0.624 1
1 775 . 12 1 1 A 66 66 GLU CA C 66 57.564 59.543 -1.979 1
1 776 . 12 1 1 A 66 66 GLU CB C 66 31.236 29.227 2.009 1
1 778 . 12 1 1 A 66 66 GLU N N 66 116.486 118.374 -1.888 1
1 779 . 12 1 1 A 67 67 CYS H H 67 8.015 7.573 0.442 1
1 780 . 12 1 1 A 67 67 CYS HA H 67 4.331 4.441 -0.110 1
1 783 . 12 1 1 A 67 67 CYS C C 67 175.278 174.894 0.384 1
1 784 . 12 1 1 A 67 67 CYS CA C 67 58.817 59.523 -0.706 1
1 785 . 12 1 1 A 67 67 CYS CB C 67 26.342 28.169 -1.827 1
1 786 . 12 1 1 A 67 67 CYS N N 67 119.526 118.496 1.030 1
1 787 . 12 1 1 A 68 68 GLN H H 68 7.983 8.663 -0.680 1
1 788 . 12 1 1 A 68 68 GLN HA H 68 4.199 4.315 -0.116 1
1 795 . 12 1 1 A 68 68 GLN C C 68 175.866 176.526 -0.660 1
1 796 . 12 1 1 A 68 68 GLN CA C 68 56.399 56.010 0.389 1
1 797 . 12 1 1 A 68 68 GLN CB C 68 29.837 29.650 0.187 1
1 799 . 12 1 1 A 68 68 GLN N N 68 120.826 122.841 -2.015 1
1 801 . 12 1 1 A 69 69 ASP H H 69 8.755 8.611 0.144 1
1 802 . 12 1 1 A 69 69 ASP HA H 69 4.395 4.804 -0.409 1
1 805 . 12 1 1 A 69 69 ASP C C 69 174.652 175.498 -0.846 1
1 806 . 12 1 1 A 69 69 ASP CA C 69 54.546 53.973 0.573 1
1 807 . 12 1 1 A 69 69 ASP CB C 69 39.954 39.808 0.146 1
1 808 . 12 1 1 A 69 69 ASP N N 69 117.691 121.007 -3.316 1
1 809 . 12 1 1 A 70 70 VAL H H 70 7.245 7.314 -0.069 1
1 810 . 12 1 1 A 70 70 VAL HA H 70 4.173 4.019 0.154 1
1 818 . 12 1 1 A 70 70 VAL C C 70 173.502 175.672 -2.170 1
1 819 . 12 1 1 A 70 70 VAL CA C 70 60.502 63.250 -2.748 1
1 820 . 12 1 1 A 70 70 VAL CB C 70 34.397 32.386 2.011 1
1 823 . 12 1 1 A 70 70 VAL N N 70 116.632 120.441 -3.809 1
1 824 . 12 1 1 A 71 71 GLN H H 71 8.513 8.621 -0.108 1
1 825 . 12 1 1 A 71 71 GLN HA H 71 4.758 4.853 -0.095 1
1 832 . 12 1 1 A 71 71 GLN C C 71 173.404 174.245 -0.841 1
1 833 . 12 1 1 A 71 71 GLN CA C 71 52.093 52.730 -0.637 1
1 834 . 12 1 1 A 71 71 GLN CB C 71 29.467 29.325 0.142 1
1 836 . 12 1 1 A 71 71 GLN N N 71 125.361 126.281 -0.920 1
1 838 . 12 1 1 A 72 72 PRO HA H 72 3.955 4.420 -0.465 1
1 845 . 12 1 1 A 72 72 PRO CA C 72 61.219 61.443 -0.224 1
1 846 . 12 1 1 A 72 72 PRO CB C 72 30.548 31.508 -0.960 1
1 849 . 12 1 1 A 73 73 PRO HA H 73 3.584 4.219 -0.635 1
1 856 . 12 1 1 A 73 73 PRO C C 73 175.005 176.389 -1.384 1
1 857 . 12 1 1 A 73 73 PRO CA C 73 61.764 62.130 -0.366 1
1 858 . 12 1 1 A 73 73 PRO CB C 73 30.080 31.212 -1.132 1
1 861 . 12 1 1 A 74 74 GLU H H 74 8.066 8.529 -0.463 1
1 862 . 12 1 1 A 74 74 GLU HA H 74 3.766 3.833 -0.067 1
1 867 . 12 1 1 A 74 74 GLU C C 74 177.415 177.141 0.274 1
1 868 . 12 1 1 A 74 74 GLU CA C 74 58.005 58.104 -0.099 1
1 869 . 12 1 1 A 74 74 GLU CB C 74 29.340 29.362 -0.022 1
1 871 . 12 1 1 A 74 74 GLU N N 74 120.425 122.292 -1.867 1
1 872 . 12 1 1 A 75 75 GLY H H 75 8.576 8.826 -0.250 1
1 873 . 12 1 1 A 75 75 GLY HA2 H 75 4.024 3.893 0.131 1
1 874 . 12 1 1 A 75 75 GLY HA3 H 75 3.568 3.920 -0.352 1
1 875 . 12 1 1 A 75 75 GLY C C 75 174.093 174.404 -0.311 1
1 876 . 12 1 1 A 75 75 GLY CA C 75 45.299 45.023 0.276 1
1 877 . 12 1 1 A 75 75 GLY N N 75 112.779 115.040 -2.261 1
1 878 . 12 1 1 A 76 76 ARG H H 76 7.791 7.646 0.145 1
1 879 . 12 1 1 A 76 76 ARG HA H 76 4.444 4.324 0.120 1
1 887 . 12 1 1 A 76 76 ARG C C 76 175.188 174.842 0.346 1
1 888 . 12 1 1 A 76 76 ARG CA C 76 54.617 55.734 -1.117 1
1 889 . 12 1 1 A 76 76 ARG CB C 76 31.030 32.217 -1.187 1
1 892 . 12 1 1 A 76 76 ARG N N 76 121.088 121.301 -0.213 1
1 894 . 12 1 1 A 77 77 SER H H 77 8.235 8.622 -0.387 1
1 895 . 12 1 1 A 77 77 SER HA H 77 4.405 4.802 -0.397 1
1 898 . 12 1 1 A 77 77 SER C C 77 176.069 174.328 1.741 1
1 899 . 12 1 1 A 77 77 SER CA C 77 56.805 57.340 -0.535 1
1 900 . 12 1 1 A 77 77 SER CB C 77 64.136 66.701 -2.565 1
1 901 . 12 1 1 A 77 77 SER N N 77 113.991 116.550 -2.559 1
1 902 . 12 1 1 A 78 78 ARG H H 78 8.745 9.093 -0.348 1
1 903 . 12 1 1 A 78 78 ARG HA H 78 3.774 3.929 -0.155 1
1 909 . 12 1 1 A 78 78 ARG C C 78 176.758 177.611 -0.853 1
1 910 . 12 1 1 A 78 78 ARG CA C 78 58.341 60.019 -1.678 1
1 911 . 12 1 1 A 78 78 ARG CB C 78 30.043 30.079 -0.036 1
1 914 . 12 1 1 A 78 78 ARG N N 78 122.262 125.080 -2.818 1
1 915 . 12 1 1 A 79 79 ASP H H 79 8.106 8.304 -0.198 1
1 916 . 12 1 1 A 79 79 ASP HA H 79 4.175 4.300 -0.125 1
1 919 . 12 1 1 A 79 79 ASP C C 79 175.579 179.912 -4.333 1
1 920 . 12 1 1 A 79 79 ASP CA C 79 57.159 57.006 0.153 1
1 921 . 12 1 1 A 79 79 ASP CB C 79 40.900 40.347 0.553 1
1 922 . 12 1 1 A 79 79 ASP N N 79 115.963 119.769 -3.806 1
1 923 . 12 1 1 A 80 80 GLY H H 80 7.305 8.451 -1.146 1
1 924 . 12 1 1 A 80 80 GLY HA2 H 80 4.047 3.686 0.361 1
1 925 . 12 1 1 A 80 80 GLY HA3 H 80 3.387 3.719 -0.332 1
1 926 . 12 1 1 A 80 80 GLY C C 80 174.263 175.431 -1.168 1
1 927 . 12 1 1 A 80 80 GLY CA C 80 44.276 47.383 -3.107 1
1 928 . 12 1 1 A 80 80 GLY N N 80 101.592 107.999 -6.407 1
1 929 . 12 1 1 A 81 81 LEU H H 81 7.307 7.838 -0.531 1
1 930 . 12 1 1 A 81 81 LEU HA H 81 4.494 4.237 0.257 1
1 940 . 12 1 1 A 81 81 LEU C C 81 176.212 176.598 -0.386 1
1 941 . 12 1 1 A 81 81 LEU CA C 81 56.346 56.061 0.285 1
1 942 . 12 1 1 A 81 81 LEU CB C 81 44.025 42.529 1.496 1
1 946 . 12 1 1 A 81 81 LEU N N 81 121.062 122.117 -1.055 1
1 947 . 12 1 1 A 82 82 LEU H H 82 8.286 8.443 -0.157 1
1 948 . 12 1 1 A 82 82 LEU HA H 82 5.260 4.763 0.497 1
1 958 . 12 1 1 A 82 82 LEU C C 82 175.122 174.453 0.669 1
1 959 . 12 1 1 A 82 82 LEU CA C 82 55.334 54.695 0.639 1
1 960 . 12 1 1 A 82 82 LEU CB C 82 46.064 45.264 0.800 1
1 964 . 12 1 1 A 82 82 LEU N N 82 118.524 122.919 -4.395 1
1 965 . 12 1 1 A 83 83 THR H H 83 9.095 8.554 0.541 1
1 966 . 12 1 1 A 83 83 THR HA H 83 5.305 5.440 -0.135 1
1 971 . 12 1 1 A 83 83 THR C C 83 173.754 173.277 0.477 1
1 972 . 12 1 1 A 83 83 THR CA C 83 61.076 61.418 -0.342 1
1 973 . 12 1 1 A 83 83 THR CB C 83 71.268 71.301 -0.033 1
1 975 . 12 1 1 A 83 83 THR N N 83 120.894 122.988 -2.094 1
1 976 . 12 1 1 A 84 84 VAL H H 84 9.175 8.797 0.378 1
1 977 . 12 1 1 A 84 84 VAL HA H 84 4.205 4.563 -0.358 1
1 985 . 12 1 1 A 84 84 VAL C C 84 173.741 174.740 -0.999 1
1 986 . 12 1 1 A 84 84 VAL CA C 84 61.182 60.955 0.227 1
1 987 . 12 1 1 A 84 84 VAL CB C 84 32.921 34.647 -1.726 1
1 990 . 12 1 1 A 84 84 VAL N N 84 127.342 124.909 2.433 1
1 991 . 12 1 1 A 85 85 ASN H H 85 8.597 9.003 -0.406 1
1 992 . 12 1 1 A 85 85 ASN HA H 85 4.960 5.203 -0.243 1
1 997 . 12 1 1 A 85 85 ASN C C 85 174.440 174.388 0.052 1
1 998 . 12 1 1 A 85 85 ASN CA C 85 52.870 53.043 -0.173 1
1 999 . 12 1 1 A 85 85 ASN CB C 85 39.214 40.860 -1.646 1
1 1000 . 12 1 1 A 85 85 ASN N N 85 125.999 125.696 0.303 1
1 1002 . 12 1 1 A 86 86 LEU H H 86 8.283 8.863 -0.580 1
1 1003 . 12 1 1 A 86 86 LEU HA H 86 5.176 4.982 0.194 1
1 1013 . 12 1 1 A 86 86 LEU C C 86 178.644 177.790 0.854 1
1 1014 . 12 1 1 A 86 86 LEU CA C 86 53.700 53.255 0.445 1
1 1015 . 12 1 1 A 86 86 LEU CB C 86 42.298 44.278 -1.980 1
1 1019 . 12 1 1 A 86 86 LEU N N 86 125.763 123.478 2.285 1
1 1020 . 12 1 1 A 87 87 ARG H H 87 8.655 9.314 -0.659 1
1 1021 . 12 1 1 A 87 87 ARG HA H 87 3.905 4.138 -0.233 1
1 1028 . 12 1 1 A 87 87 ARG C C 87 177.223 178.001 -0.778 1
1 1029 . 12 1 1 A 87 87 ARG CA C 87 59.717 58.662 1.055 1
1 1030 . 12 1 1 A 87 87 ARG CB C 87 29.280 30.001 -0.721 1
1 1033 . 12 1 1 A 87 87 ARG N N 87 123.105 121.946 1.159 1
1 1034 . 12 1 1 A 88 88 GLU H H 88 8.525 7.941 0.584 1
1 1035 . 12 1 1 A 88 88 GLU HA H 88 4.515 4.296 0.219 1
1 1040 . 12 1 1 A 88 88 GLU C C 88 175.762 176.693 -0.931 1
1 1041 . 12 1 1 A 88 88 GLU CA C 88 55.852 56.495 -0.643 1
1 1042 . 12 1 1 A 88 88 GLU CB C 88 30.249 30.330 -0.081 1
1 1044 . 12 1 1 A 88 88 GLU N N 88 117.722 116.160 1.562 1
1 1045 . 12 1 1 A 89 89 GLY H H 89 8.063 8.311 -0.248 1
1 1046 . 12 1 1 A 89 89 GLY HA2 H 89 3.735 4.040 -0.305 1
1 1047 . 12 1 1 A 89 89 GLY HA3 H 89 4.536 4.041 0.495 1
1 1048 . 12 1 1 A 89 89 GLY C C 89 173.864 173.701 0.163 1
1 1049 . 12 1 1 A 89 89 GLY CA C 89 44.222 45.971 -1.749 1
1 1050 . 12 1 1 A 89 89 GLY N N 89 110.616 109.996 0.620 1
1 1051 . 12 1 1 A 90 90 SER H H 90 8.094 7.801 0.293 1
1 1052 . 12 1 1 A 90 90 SER HA H 90 4.484 5.030 -0.546 1
1 1055 . 12 1 1 A 90 90 SER C C 90 172.813 172.731 0.082 1
1 1056 . 12 1 1 A 90 90 SER CA C 90 58.552 57.321 1.231 1
1 1057 . 12 1 1 A 90 90 SER CB C 90 63.915 66.928 -3.013 1
1 1058 . 12 1 1 A 90 90 SER N N 90 116.620 114.594 2.026 1
1 1059 . 12 1 1 A 91 91 ARG H H 91 8.285 8.722 -0.437 1
1 1060 . 12 1 1 A 91 91 ARG HA H 91 4.725 5.263 -0.538 1
1 1067 . 12 1 1 A 91 91 ARG C C 91 175.511 174.936 0.575 1
1 1068 . 12 1 1 A 91 91 ARG CA C 91 55.870 54.621 1.249 1
1 1069 . 12 1 1 A 91 91 ARG CB C 91 32.058 33.809 -1.751 1
1 1072 . 12 1 1 A 91 91 ARG N N 91 121.045 120.521 0.524 1
1 1073 . 12 1 1 A 92 92 LEU H H 92 8.485 9.625 -1.140 1
1 1074 . 12 1 1 A 92 92 LEU HA H 92 4.555 4.731 -0.176 1
1 1084 . 12 1 1 A 92 92 LEU C C 92 174.815 175.572 -0.757 1
1 1085 . 12 1 1 A 92 92 LEU CA C 92 53.629 53.580 0.049 1
1 1086 . 12 1 1 A 92 92 LEU CB C 92 44.066 42.648 1.418 1
1 1090 . 12 1 1 A 92 92 LEU N N 92 123.633 124.825 -1.192 1
1 1091 . 12 1 1 A 93 93 HIS H H 93 8.871 8.978 -0.107 1
1 1092 . 12 1 1 A 93 93 HIS HA H 93 5.135 4.857 0.278 1
1 1097 . 12 1 1 A 93 93 HIS C C 93 173.251 175.585 -2.334 1
1 1098 . 12 1 1 A 93 93 HIS CA C 93 56.135 56.292 -0.157 1
1 1099 . 12 1 1 A 93 93 HIS CB C 93 30.701 29.632 1.069 1
1 1101 . 12 1 1 A 93 93 HIS N N 93 124.492 124.072 0.420 1
1 1102 . 12 1 1 A 94 94 LEU H H 94 9.105 8.808 0.297 1
1 1103 . 12 1 1 A 94 94 LEU HA H 94 5.940 5.550 0.390 1
1 1113 . 12 1 1 A 94 94 LEU C C 94 177.396 175.439 1.957 1
1 1114 . 12 1 1 A 94 94 LEU CA C 94 52.552 53.591 -1.039 1
1 1115 . 12 1 1 A 94 94 LEU CB C 94 45.465 46.659 -1.194 1
1 1119 . 12 1 1 A 94 94 LEU N N 94 122.911 125.037 -2.126 1
1 1120 . 12 1 1 A 95 95 CYS H H 95 8.953 8.547 0.406 1
1 1121 . 12 1 1 A 95 95 CYS HA H 95 4.863 4.942 -0.079 1
1 1124 . 12 1 1 A 95 95 CYS C C 95 172.585 173.278 -0.693 1
1 1125 . 12 1 1 A 95 95 CYS CA C 95 59.964 58.109 1.855 1
1 1126 . 12 1 1 A 95 95 CYS CB C 95 29.220 31.012 -1.792 1
1 1127 . 12 1 1 A 95 95 CYS N N 95 118.920 119.265 -0.345 1
1 1128 . 12 1 1 A 96 96 ALA H H 96 9.465 8.629 0.836 1
1 1129 . 12 1 1 A 96 96 ALA HA H 96 5.035 4.893 0.142 1
1 1133 . 12 1 1 A 96 96 ALA C C 96 177.396 178.700 -1.304 1
1 1134 . 12 1 1 A 96 96 ALA CA C 96 50.205 50.414 -0.209 1
1 1135 . 12 1 1 A 96 96 ALA CB C 96 21.571 21.630 -0.059 1
1 1136 . 12 1 1 A 96 96 ALA N N 96 132.924 127.890 5.034 1
1 1137 . 12 1 1 A 97 97 GLU H H 97 9.636 9.085 0.551 1
1 1138 . 12 1 1 A 97 97 GLU HA H 97 4.344 4.195 0.149 1
1 1143 . 12 1 1 A 97 97 GLU C C 97 176.882 176.546 0.336 1
1 1144 . 12 1 1 A 97 97 GLU CA C 97 58.040 59.279 -1.239 1
1 1145 . 12 1 1 A 97 97 GLU CB C 97 30.207 28.984 1.223 1
1 1147 . 12 1 1 A 97 97 GLU N N 97 116.636 120.338 -3.702 1
1 1148 . 12 1 1 A 98 98 THR H H 98 7.155 7.787 -0.632 1
1 1149 . 12 1 1 A 98 98 THR HA H 98 4.684 4.673 0.011 1
1 1154 . 12 1 1 A 98 98 THR C C 98 174.259 174.496 -0.237 1
1 1155 . 12 1 1 A 98 98 THR CA C 98 58.323 59.824 -1.501 1
1 1156 . 12 1 1 A 98 98 THR CB C 98 73.529 72.040 1.489 1
1 1158 . 12 1 1 A 98 98 THR N N 98 102.167 110.273 -8.106 1
1 1159 . 12 1 1 A 99 99 ARG H H 99 9.025 9.031 -0.006 1
1 1160 . 12 1 1 A 99 99 ARG HA H 99 4.056 4.110 -0.054 1
1 1167 . 12 1 1 A 99 99 ARG C C 99 177.995 178.307 -0.312 1
1 1168 . 12 1 1 A 99 99 ARG CA C 99 59.029 58.597 0.432 1
1 1169 . 12 1 1 A 99 99 ARG CB C 99 30.208 29.976 0.232 1
1 1172 . 12 1 1 A 99 99 ARG N N 99 122.747 119.835 2.912 1
1 1173 . 12 1 1 A 100 100 ASP H H 100 8.387 8.311 0.076 1
1 1174 . 12 1 1 A 100 100 ASP HA H 100 4.306 4.343 -0.037 1
1 1177 . 12 1 1 A 100 100 ASP C C 100 179.110 178.465 0.645 1
1 1178 . 12 1 1 A 100 100 ASP CA C 100 57.475 57.485 -0.010 1
1 1179 . 12 1 1 A 100 100 ASP CB C 100 40.201 41.436 -1.235 1
1 1180 . 12 1 1 A 100 100 ASP N N 100 116.422 120.549 -4.127 1
1 1181 . 12 1 1 A 101 101 ASP H H 101 8.046 7.944 0.102 1
1 1182 . 12 1 1 A 101 101 ASP HA H 101 4.576 4.358 0.218 1
1 1185 . 12 1 1 A 101 101 ASP C C 101 177.751 178.893 -1.142 1
1 1186 . 12 1 1 A 101 101 ASP CA C 101 57.229 57.144 0.085 1
1 1187 . 12 1 1 A 101 101 ASP CB C 101 42.093 40.261 1.832 1
1 1188 . 12 1 1 A 101 101 ASP N N 101 120.742 119.041 1.701 1
1 1189 . 12 1 1 A 102 102 ALA H H 102 7.674 7.461 0.213 1
1 1190 . 12 1 1 A 102 102 ALA HA H 102 4.084 4.237 -0.153 1
1 1194 . 12 1 1 A 102 102 ALA C C 102 179.609 179.826 -0.217 1
1 1195 . 12 1 1 A 102 102 ALA CA C 102 56.364 55.282 1.082 1
1 1196 . 12 1 1 A 102 102 ALA CB C 102 17.952 18.659 -0.707 1
1 1197 . 12 1 1 A 102 102 ALA N N 102 122.523 122.329 0.194 1
1 1198 . 12 1 1 A 103 103 ILE H H 103 8.499 7.950 0.549 1
1 1199 . 12 1 1 A 103 103 ILE HA H 103 3.681 3.690 -0.009 1
1 1209 . 12 1 1 A 103 103 ILE C C 103 178.622 178.070 0.552 1
1 1210 . 12 1 1 A 103 103 ILE CA C 103 64.182 65.390 -1.208 1
1 1211 . 12 1 1 A 103 103 ILE CB C 103 37.240 37.455 -0.215 1
1 1215 . 12 1 1 A 103 103 ILE N N 103 117.417 117.908 -0.491 1
1 1216 . 12 1 1 A 104 104 ALA H H 104 8.174 8.142 0.032 1
1 1217 . 12 1 1 A 104 104 ALA HA H 104 4.095 4.026 0.069 1
1 1221 . 12 1 1 A 104 104 ALA C C 104 181.998 179.764 2.234 1
1 1222 . 12 1 1 A 104 104 ALA CA C 104 55.517 55.294 0.223 1
1 1223 . 12 1 1 A 104 104 ALA CB C 104 17.294 18.474 -1.180 1
1 1224 . 12 1 1 A 104 104 ALA N N 104 124.916 121.652 3.264 1
1 1225 . 12 1 1 A 105 105 TRP H H 105 8.365 7.771 0.594 1
1 1226 . 12 1 1 A 105 105 TRP HA H 105 4.025 4.475 -0.450 1
1 1235 . 12 1 1 A 105 105 TRP C C 105 177.969 178.655 -0.686 1
1 1236 . 12 1 1 A 105 105 TRP CA C 105 62.011 59.924 2.087 1
1 1237 . 12 1 1 A 105 105 TRP CB C 105 29.179 29.110 0.069 1
1 1243 . 12 1 1 A 105 105 TRP N N 105 119.726 118.270 1.456 1
1 1245 . 12 1 1 A 106 106 LYS H H 106 8.746 8.065 0.681 1
1 1246 . 12 1 1 A 106 106 LYS HA H 106 3.805 4.123 -0.318 1
1 1255 . 12 1 1 A 106 106 LYS C C 106 177.626 179.083 -1.457 1
1 1256 . 12 1 1 A 106 106 LYS CA C 106 60.865 59.733 1.132 1
1 1257 . 12 1 1 A 106 106 LYS CB C 106 31.606 32.070 -0.464 1
1 1261 . 12 1 1 A 106 106 LYS N N 106 120.565 120.924 -0.359 1
1 1262 . 12 1 1 A 107 107 THR H H 107 8.714 8.315 0.399 1
1 1263 . 12 1 1 A 107 107 THR HA H 107 3.774 3.862 -0.088 1
1 1268 . 12 1 1 A 107 107 THR C C 107 176.238 176.295 -0.057 1
1 1269 . 12 1 1 A 107 107 THR CA C 107 66.688 66.723 -0.035 1
1 1270 . 12 1 1 A 107 107 THR CB C 107 69.065 68.635 0.430 1
1 1272 . 12 1 1 A 107 107 THR N N 107 115.018 117.502 -2.484 1
1 1273 . 12 1 1 A 108 108 ALA H H 108 7.769 8.177 -0.408 1
1 1274 . 12 1 1 A 108 108 ALA HA H 108 4.094 4.041 0.053 1
1 1278 . 12 1 1 A 108 108 ALA C C 108 180.611 179.868 0.743 1
1 1279 . 12 1 1 A 108 108 ALA CA C 108 55.005 54.908 0.097 1
1 1280 . 12 1 1 A 108 108 ALA CB C 108 18.015 18.223 -0.208 1
1 1281 . 12 1 1 A 108 108 ALA N N 108 123.150 123.482 -0.332 1
1 1282 . 12 1 1 A 109 109 LEU H H 109 8.795 7.958 0.837 1
1 1283 . 12 1 1 A 109 109 LEU HA H 109 4.045 4.151 -0.106 1
1 1293 . 12 1 1 A 109 109 LEU C C 109 178.758 178.841 -0.083 1
1 1294 . 12 1 1 A 109 109 LEU CA C 109 58.093 57.868 0.225 1
1 1295 . 12 1 1 A 109 109 LEU CB C 109 42.298 42.181 0.117 1
1 1299 . 12 1 1 A 109 109 LEU N N 109 118.714 120.246 -1.532 1
1 1300 . 12 1 1 A 110 110 MET H H 110 8.582 8.622 -0.040 1
1 1301 . 12 1 1 A 110 110 MET HA H 110 4.404 4.045 0.359 1
1 1309 . 12 1 1 A 110 110 MET C C 110 180.290 178.947 1.343 1
1 1310 . 12 1 1 A 110 110 MET CA C 110 56.876 59.014 -2.138 1
1 1311 . 12 1 1 A 110 110 MET CB C 110 30.002 32.723 -2.721 1
1 1314 . 12 1 1 A 110 110 MET N N 110 117.122 116.346 0.776 1
1 1315 . 12 1 1 A 111 111 GLU H H 111 8.062 7.975 0.087 1
1 1316 . 12 1 1 A 111 111 GLU HA H 111 4.126 4.042 0.084 1
1 1321 . 12 1 1 A 111 111 GLU C C 111 179.237 178.746 0.491 1
1 1322 . 12 1 1 A 111 111 GLU CA C 111 59.435 58.912 0.523 1
1 1323 . 12 1 1 A 111 111 GLU CB C 111 29.015 29.421 -0.406 1
1 1325 . 12 1 1 A 111 111 GLU N N 111 121.532 118.718 2.814 1
1 1326 . 12 1 1 A 112 112 ALA H H 112 7.975 7.620 0.355 1
1 1327 . 12 1 1 A 112 112 ALA HA H 112 4.265 4.049 0.216 1
1 1331 . 12 1 1 A 112 112 ALA C C 112 179.608 179.964 -0.356 1
1 1332 . 12 1 1 A 112 112 ALA CA C 112 54.158 54.886 -0.728 1
1 1333 . 12 1 1 A 112 112 ALA CB C 112 19.530 18.505 1.025 1
1 1334 . 12 1 1 A 112 112 ALA N N 112 121.838 122.479 -0.641 1
1 1335 . 12 1 1 A 113 113 ASN H H 113 8.115 8.516 -0.401 1
1 1336 . 12 1 1 A 113 113 ASN HA H 113 4.822 4.668 0.154 1
1 1341 . 12 1 1 A 113 113 ASN C C 113 176.296 176.125 0.171 1
1 1342 . 12 1 1 A 113 113 ASN CA C 113 56.311 56.169 0.142 1
1 1343 . 12 1 1 A 113 113 ASN CB C 113 40.283 38.870 1.413 1
1 1344 . 12 1 1 A 113 113 ASN N N 113 115.563 117.714 -2.151 1
1 1346 . 12 1 1 A 114 114 SER H H 114 7.365 8.180 -0.815 1
1 1347 . 12 1 1 A 114 114 SER HA H 114 4.545 4.451 0.094 1
1 1350 . 12 1 1 A 114 114 SER C C 114 174.126 172.917 1.209 1
1 1351 . 12 1 1 A 114 114 SER CA C 114 58.464 57.113 1.351 1
1 1352 . 12 1 1 A 114 114 SER CB C 114 64.400 64.073 0.327 1
1 1353 . 12 1 1 A 114 114 SER N N 114 108.652 112.763 -4.111 1
1 1354 . 12 1 1 A 115 115 THR H H 115 7.849 6.884 0.965 1
1 1355 . 12 1 1 A 115 115 THR HA H 115 4.599 4.868 -0.269 1
1 1360 . 12 1 1 A 115 115 THR C C 115 172.337 172.383 -0.046 1
1 1361 . 12 1 1 A 115 115 THR CA C 115 60.817 59.141 1.676 1
1 1362 . 12 1 1 A 115 115 THR CB C 115 70.016 71.644 -1.628 1
1 1364 . 12 1 1 A 115 115 THR N N 115 118.885 116.539 2.346 1
1 1365 . 12 1 1 A 116 116 PRO HA H 116 4.404 4.576 -0.172 1
1 1372 . 12 1 1 A 116 116 PRO CA C 116 63.007 62.378 0.629 1
1 1373 . 12 1 1 A 116 116 PRO CB C 116 32.346 33.098 -0.752 1
1 1376 . 12 1 1 A 117 117 ALA H H 117 8.429 8.276 0.153 1
1 1377 . 12 1 1 A 117 117 ALA HA H 117 4.535 4.849 -0.314 1
1 1381 . 12 1 1 A 117 117 ALA CA C 117 50.359 49.651 0.708 1
1 1382 . 12 1 1 A 117 117 ALA CB C 117 18.069 20.517 -2.448 1
1 1383 . 12 1 1 A 117 117 ALA N N 117 125.693 122.954 2.739 1
1 1384 . 12 1 1 A 118 118 PRO HA H 118 4.377 4.344 0.033 1
1 1391 . 12 1 1 A 118 118 PRO C C 118 176.656 177.046 -0.390 1
1 1392 . 12 1 1 A 118 118 PRO CA C 118 63.105 65.421 -2.316 1
1 1393 . 12 1 1 A 118 118 PRO CB C 118 31.935 31.632 0.303 1
1 1396 . 12 1 1 A 119 119 ALA H H 119 8.430 7.950 0.480 1
1 1397 . 12 1 1 A 119 119 ALA HA H 119 4.255 4.026 0.229 1
1 1401 . 12 1 1 A 119 119 ALA C C 119 178.416 177.453 0.963 1
1 1402 . 12 1 1 A 119 119 ALA CA C 119 52.744 53.164 -0.420 1
1 1403 . 12 1 1 A 119 119 ALA CB C 119 19.186 17.135 2.051 1
1 1404 . 12 1 1 A 119 119 ALA N N 119 124.565 119.367 5.198 1
1 1405 . 12 1 1 A 120 120 GLY H H 120 8.375 8.094 0.281 1
1 1406 . 12 1 1 A 120 120 GLY HA2 H 120 3.934 4.082 -0.148 1
1 1407 . 12 1 1 A 120 120 GLY HA3 H 120 3.934 4.083 -0.149 1
1 1408 . 12 1 1 A 120 120 GLY C C 120 173.810 173.453 0.357 1
1 1409 . 12 1 1 A 120 120 GLY CA C 120 45.176 46.043 -0.867 1
1 1410 . 12 1 1 A 120 120 GLY N N 120 108.353 104.625 3.728 1
1 1411 . 12 1 1 A 121 121 ALA H H 121 8.116 7.878 0.238 1
1 1412 . 12 1 1 A 121 121 ALA HA H 121 4.379 4.402 -0.023 1
1 1416 . 12 1 1 A 121 121 ALA C C 121 177.908 178.514 -0.606 1
1 1417 . 12 1 1 A 121 121 ALA CA C 121 52.446 52.526 -0.080 1
1 1418 . 12 1 1 A 121 121 ALA CB C 121 19.433 19.016 0.417 1
1 1419 . 12 1 1 A 121 121 ALA N N 121 123.561 123.954 -0.393 1
1 1420 . 12 1 1 A 122 122 THR H H 122 8.212 8.666 -0.454 1
1 1421 . 12 1 1 A 122 122 THR C C 122 174.317 173.206 1.111 1
1 1422 . 12 1 1 A 122 122 THR CA C 122 61.888 61.363 0.525 1
1 1423 . 12 1 1 A 122 122 THR CB C 122 69.648 67.792 1.856 1
1 1425 . 12 1 1 A 122 122 THR N N 122 114.319 120.233 -5.914 1
1 1426 . 12 1 1 A 123 123 VAL H H 123 8.222 7.510 0.712 1
1 1427 . 12 1 1 A 123 123 VAL HA H 123 4.455 4.478 -0.023 1
1 1435 . 12 1 1 A 123 123 VAL C C 123 174.373 173.596 0.777 1
1 1436 . 12 1 1 A 123 123 VAL CA C 123 59.717 58.855 0.862 1
1 1437 . 12 1 1 A 123 123 VAL CB C 123 32.593 35.506 -2.913 1
1 1440 . 12 1 1 A 123 123 VAL N N 123 124.311 122.546 1.765 1
1 1441 . 12 1 1 A 124 124 PRO HA H 124 4.403 4.682 -0.279 1
1 1446 . 12 1 1 A 124 124 PRO C C 124 176.873 177.330 -0.457 1
1 1447 . 12 1 1 A 124 124 PRO CA C 124 63.211 62.188 1.023 1
1 1448 . 12 1 1 A 124 124 PRO CB C 124 32.017 30.472 1.545 1
1 1451 . 12 1 1 A 125 125 SER H H 125 8.426 8.334 0.092 1
1 1452 . 12 1 1 A 125 125 SER HA H 125 4.448 4.262 0.186 1
1 1455 . 12 1 1 A 125 125 SER C C 125 174.598 174.632 -0.034 1
1 1456 . 12 1 1 A 125 125 SER CA C 125 58.341 60.260 -1.919 1
1 1457 . 12 1 1 A 125 125 SER CB C 125 64.054 63.779 0.275 1
1 1458 . 12 1 1 A 125 125 SER N N 125 116.463 120.277 -3.814 1
1 1459 . 12 1 1 A 126 126 GLY H H 126 8.233 7.457 0.776 1
1 1460 . 12 1 1 A 126 126 GLY C C 126 171.756 173.918 -2.162 1
1 1461 . 12 1 1 A 126 126 GLY CA C 126 44.611 44.928 -0.317 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.445 4.155 0.290 1
1 4 . 13 1 1 A 6 6 SER C C 6 174.707 174.620 0.087 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.482 59.318 -0.836 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.848 62.356 1.492 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.494 8.245 0.249 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 4.105 4.218 -0.113 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 4.105 4.229 -0.124 1
1 10 . 13 1 1 A 7 7 GLY C C 7 172.961 174.159 -1.198 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.864 45.940 -0.076 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.325 107.332 2.993 1
1 13 . 13 1 1 A 8 8 LEU H H 8 8.295 7.948 0.347 1
1 14 . 13 1 1 A 8 8 LEU HA H 8 4.268 4.611 -0.343 1
1 24 . 13 1 1 A 8 8 LEU C C 8 176.773 176.031 0.742 1
1 25 . 13 1 1 A 8 8 LEU CA C 8 55.587 55.008 0.579 1
1 26 . 13 1 1 A 8 8 LEU CB C 8 43.367 43.060 0.307 1
1 30 . 13 1 1 A 8 8 LEU N N 8 123.800 122.689 1.111 1
1 31 . 13 1 1 A 9 9 VAL H H 9 9.290 8.373 0.917 1
1 32 . 13 1 1 A 9 9 VAL HA H 9 3.826 4.245 -0.419 1
1 40 . 13 1 1 A 9 9 VAL C C 9 176.540 175.846 0.694 1
1 41 . 13 1 1 A 9 9 VAL CA C 9 64.888 63.374 1.514 1
1 42 . 13 1 1 A 9 9 VAL CB C 9 32.264 33.653 -1.389 1
1 45 . 13 1 1 A 9 9 VAL N N 9 129.415 124.753 4.662 1
1 46 . 13 1 1 A 10 10 ARG H H 10 7.135 7.459 -0.324 1
1 47 . 13 1 1 A 10 10 ARG HA H 10 4.126 4.650 -0.524 1
1 55 . 13 1 1 A 10 10 ARG C C 10 171.942 175.005 -3.063 1
1 56 . 13 1 1 A 10 10 ARG CA C 10 55.800 55.365 0.435 1
1 57 . 13 1 1 A 10 10 ARG CB C 10 32.223 33.781 -1.558 1
1 60 . 13 1 1 A 10 10 ARG N N 10 117.246 117.482 -0.236 1
1 62 . 13 1 1 A 11 11 GLY H H 11 8.390 8.204 0.186 1
1 63 . 13 1 1 A 11 11 GLY HA2 H 11 3.204 4.015 -0.811 1
1 64 . 13 1 1 A 11 11 GLY HA3 H 11 5.336 4.286 1.050 1
1 65 . 13 1 1 A 11 11 GLY C C 11 172.895 173.128 -0.233 1
1 66 . 13 1 1 A 11 11 GLY CA C 11 43.481 45.045 -1.564 1
1 67 . 13 1 1 A 11 11 GLY N N 11 113.527 110.767 2.760 1
1 68 . 13 1 1 A 12 12 GLY H H 12 7.935 8.669 -0.734 1
1 69 . 13 1 1 A 12 12 GLY C C 12 171.502 172.923 -1.421 1
1 70 . 13 1 1 A 12 12 GLY CA C 12 46.093 44.364 1.729 1
1 71 . 13 1 1 A 13 13 TRP H H 13 8.904 8.513 0.391 1
1 72 . 13 1 1 A 13 13 TRP HA H 13 5.205 5.751 -0.546 1
1 81 . 13 1 1 A 13 13 TRP C C 13 177.926 175.680 2.246 1
1 82 . 13 1 1 A 13 13 TRP CA C 13 57.846 56.293 1.553 1
1 83 . 13 1 1 A 13 13 TRP CB C 13 30.290 32.585 -2.295 1
1 89 . 13 1 1 A 13 13 TRP N N 13 121.758 120.790 0.968 1
1 91 . 13 1 1 A 14 14 LEU H H 14 9.295 8.925 0.370 1
1 92 . 13 1 1 A 14 14 LEU HA H 14 4.683 4.859 -0.176 1
1 102 . 13 1 1 A 14 14 LEU C C 14 175.828 176.255 -0.427 1
1 103 . 13 1 1 A 14 14 LEU CA C 14 54.670 53.767 0.903 1
1 104 . 13 1 1 A 14 14 LEU CB C 14 47.562 46.063 1.499 1
1 108 . 13 1 1 A 14 14 LEU N N 14 123.447 122.557 0.890 1
1 109 . 13 1 1 A 15 15 TRP H H 15 8.655 8.661 -0.006 1
1 110 . 13 1 1 A 15 15 TRP HA H 15 5.315 5.407 -0.092 1
1 119 . 13 1 1 A 15 15 TRP C C 15 175.899 176.158 -0.259 1
1 120 . 13 1 1 A 15 15 TRP CA C 15 57.159 57.845 -0.686 1
1 121 . 13 1 1 A 15 15 TRP CB C 15 30.759 30.265 0.494 1
1 127 . 13 1 1 A 15 15 TRP N N 15 119.571 124.806 -5.235 1
1 129 . 13 1 1 A 16 16 ARG H H 16 10.145 9.628 0.517 1
1 130 . 13 1 1 A 16 16 ARG HA H 16 5.495 5.245 0.250 1
1 138 . 13 1 1 A 16 16 ARG C C 16 174.930 175.283 -0.353 1
1 139 . 13 1 1 A 16 16 ARG CA C 16 54.334 53.849 0.485 1
1 140 . 13 1 1 A 16 16 ARG CB C 16 34.808 34.221 0.587 1
1 143 . 13 1 1 A 16 16 ARG N N 16 121.997 125.173 -3.176 1
1 145 . 13 1 1 A 17 17 GLN H H 17 8.233 8.023 0.210 1
1 146 . 13 1 1 A 17 17 GLN HA H 17 3.797 3.957 -0.160 1
1 153 . 13 1 1 A 17 17 GLN C C 17 175.654 174.892 0.762 1
1 154 . 13 1 1 A 17 17 GLN CA C 17 55.446 55.423 0.023 1
1 155 . 13 1 1 A 17 17 GLN CB C 17 29.056 29.197 -0.141 1
1 157 . 13 1 1 A 17 17 GLN N N 17 128.414 127.323 1.091 1
1 159 . 13 1 1 A 18 18 SER H H 18 8.635 8.318 0.317 1
1 160 . 13 1 1 A 18 18 SER HA H 18 4.575 5.080 -0.505 1
1 163 . 13 1 1 A 18 18 SER C C 18 175.585 172.988 2.597 1
1 164 . 13 1 1 A 18 18 SER CA C 18 57.246 56.194 1.052 1
1 165 . 13 1 1 A 18 18 SER CB C 18 64.012 66.018 -2.006 1
1 166 . 13 1 1 A 18 18 SER N N 18 122.600 119.242 3.358 1
1 167 . 13 1 1 A 20 20 ILE H H 20 7.976 8.024 -0.048 1
1 168 . 13 1 1 A 20 20 ILE HA H 20 4.036 4.517 -0.481 1
1 178 . 13 1 1 A 20 20 ILE C C 20 176.929 177.517 -0.588 1
1 179 . 13 1 1 A 20 20 ILE CA C 20 62.929 61.769 1.160 1
1 180 . 13 1 1 A 20 20 ILE CB C 20 37.912 40.335 -2.423 1
1 184 . 13 1 1 A 20 20 ILE N N 20 120.700 120.706 -0.006 1
1 185 . 13 1 1 A 21 21 LEU H H 21 8.089 7.646 0.443 1
1 186 . 13 1 1 A 21 21 LEU HA H 21 4.159 4.395 -0.236 1
1 196 . 13 1 1 A 21 21 LEU C C 21 176.455 176.226 0.229 1
1 197 . 13 1 1 A 21 21 LEU CA C 21 55.287 55.667 -0.380 1
1 198 . 13 1 1 A 21 21 LEU CB C 21 42.051 43.499 -1.448 1
1 202 . 13 1 1 A 21 21 LEU N N 21 119.540 122.293 -2.753 1
1 203 . 13 1 1 A 22 22 ARG H H 22 7.687 7.827 -0.140 1
1 204 . 13 1 1 A 22 22 ARG HA H 22 3.806 3.808 -0.002 1
1 211 . 13 1 1 A 22 22 ARG C C 22 175.087 174.719 0.368 1
1 212 . 13 1 1 A 22 22 ARG CA C 22 56.788 57.120 -0.332 1
1 213 . 13 1 1 A 22 22 ARG CB C 22 27.130 27.248 -0.118 1
1 216 . 13 1 1 A 22 22 ARG N N 22 114.383 116.854 -2.471 1
1 217 . 13 1 1 A 23 23 ARG H H 23 7.392 7.670 -0.278 1
1 218 . 13 1 1 A 23 23 ARG HA H 23 4.603 4.662 -0.059 1
1 225 . 13 1 1 A 23 23 ARG C C 23 176.112 174.619 1.493 1
1 226 . 13 1 1 A 23 23 ARG CA C 23 54.846 55.756 -0.910 1
1 227 . 13 1 1 A 23 23 ARG CB C 23 32.387 33.322 -0.935 1
1 230 . 13 1 1 A 23 23 ARG N N 23 115.846 117.822 -1.976 1
1 231 . 13 1 1 A 24 24 TRP H H 24 9.013 8.733 0.280 1
1 232 . 13 1 1 A 24 24 TRP HA H 24 5.154 5.195 -0.041 1
1 241 . 13 1 1 A 24 24 TRP C C 24 176.347 176.671 -0.324 1
1 242 . 13 1 1 A 24 24 TRP CA C 24 57.546 58.382 -0.836 1
1 243 . 13 1 1 A 24 24 TRP CB C 24 31.112 30.587 0.525 1
1 249 . 13 1 1 A 24 24 TRP N N 24 123.861 125.980 -2.119 1
1 251 . 13 1 1 A 25 25 LYS H H 25 9.553 9.769 -0.216 1
1 252 . 13 1 1 A 25 25 LYS HA H 25 4.992 5.340 -0.348 1
1 261 . 13 1 1 A 25 25 LYS C C 25 173.887 175.176 -1.289 1
1 262 . 13 1 1 A 25 25 LYS CA C 25 55.023 54.676 0.347 1
1 263 . 13 1 1 A 25 25 LYS CB C 25 35.965 36.422 -0.457 1
1 267 . 13 1 1 A 25 25 LYS N N 25 123.241 119.282 3.959 1
1 268 . 13 1 1 A 26 26 ARG H H 26 8.705 8.570 0.135 1
1 269 . 13 1 1 A 26 26 ARG HA H 26 4.494 4.355 0.139 1
1 276 . 13 1 1 A 26 26 ARG C C 26 175.755 175.601 0.154 1
1 277 . 13 1 1 A 26 26 ARG CA C 26 56.046 55.961 0.085 1
1 278 . 13 1 1 A 26 26 ARG CB C 26 30.783 30.693 0.090 1
1 281 . 13 1 1 A 26 26 ARG N N 26 124.843 122.395 2.448 1
1 282 . 13 1 1 A 27 27 ASN H H 27 9.100 8.860 0.240 1
1 283 . 13 1 1 A 27 27 ASN HA H 27 5.235 5.572 -0.337 1
1 288 . 13 1 1 A 27 27 ASN CA C 27 54.041 51.818 2.223 1
1 289 . 13 1 1 A 27 27 ASN CB C 27 46.737 43.270 3.467 1
1 290 . 13 1 1 A 27 27 ASN N N 27 123.044 121.757 1.287 1
1 292 . 13 1 1 A 28 28 TRP H H 28 7.835 8.366 -0.531 1
1 293 . 13 1 1 A 28 28 TRP HA H 28 4.105 5.139 -1.034 1
1 299 . 13 1 1 A 28 28 TRP N N 28 122.540 124.713 -2.173 1
1 300 . 13 1 1 A 29 29 PHE H H 29 8.755 8.811 -0.056 1
1 301 . 13 1 1 A 29 29 PHE HA H 29 5.001 4.739 0.262 1
1 309 . 13 1 1 A 29 29 PHE CA C 29 56.692 56.766 -0.074 1
1 310 . 13 1 1 A 29 29 PHE CB C 29 42.284 40.843 1.441 1
1 316 . 13 1 1 A 29 29 PHE N N 29 129.716 126.214 3.502 1
1 317 . 13 1 1 A 30 30 ALA H H 30 8.695 8.409 0.286 1
1 321 . 13 1 1 A 30 30 ALA C C 30 173.958 174.274 -0.316 1
1 322 . 13 1 1 A 30 30 ALA CA C 30 50.611 50.623 -0.012 1
1 323 . 13 1 1 A 30 30 ALA CB C 30 22.570 21.822 0.748 1
1 324 . 13 1 1 A 31 31 LEU H H 31 8.815 8.083 0.732 1
1 325 . 13 1 1 A 31 31 LEU HA H 31 5.003 4.725 0.278 1
1 335 . 13 1 1 A 31 31 LEU C C 31 174.414 174.260 0.154 1
1 336 . 13 1 1 A 31 31 LEU CA C 31 53.240 53.438 -0.198 1
1 337 . 13 1 1 A 31 31 LEU CB C 31 44.783 44.545 0.238 1
1 341 . 13 1 1 A 31 31 LEU N N 31 124.610 124.071 0.539 1
1 342 . 13 1 1 A 32 32 TRP H H 32 9.045 8.741 0.304 1
1 343 . 13 1 1 A 32 32 TRP HA H 32 5.499 5.630 -0.131 1
1 352 . 13 1 1 A 32 32 TRP C C 32 178.871 177.283 1.588 1
1 353 . 13 1 1 A 32 32 TRP CA C 32 55.552 56.016 -0.464 1
1 354 . 13 1 1 A 32 32 TRP CB C 32 32.346 32.181 0.165 1
1 360 . 13 1 1 A 32 32 TRP N N 32 128.500 127.075 1.425 1
1 362 . 13 1 1 A 33 33 LEU H H 33 9.246 9.430 -0.184 1
1 363 . 13 1 1 A 33 33 LEU HA H 33 4.075 4.028 0.047 1
1 373 . 13 1 1 A 33 33 LEU C C 33 176.859 178.411 -1.552 1
1 374 . 13 1 1 A 33 33 LEU CA C 33 57.035 57.877 -0.842 1
1 375 . 13 1 1 A 33 33 LEU CB C 33 42.651 41.357 1.294 1
1 379 . 13 1 1 A 33 33 LEU N N 33 123.838 125.809 -1.971 1
1 380 . 13 1 1 A 34 34 ASP H H 34 7.536 7.940 -0.404 1
1 381 . 13 1 1 A 34 34 ASP HA H 34 4.395 4.507 -0.112 1
1 384 . 13 1 1 A 34 34 ASP C C 34 177.113 176.598 0.515 1
1 385 . 13 1 1 A 34 34 ASP CA C 34 53.805 54.341 -0.536 1
1 386 . 13 1 1 A 34 34 ASP CB C 34 39.625 41.032 -1.407 1
1 387 . 13 1 1 A 34 34 ASP N N 34 115.948 116.161 -0.213 1
1 388 . 13 1 1 A 35 35 GLY H H 35 8.264 8.780 -0.516 1
1 389 . 13 1 1 A 35 35 GLY HA2 H 35 4.205 4.003 0.202 1
1 390 . 13 1 1 A 35 35 GLY HA3 H 35 3.895 4.011 -0.116 1
1 391 . 13 1 1 A 35 35 GLY C C 35 173.898 173.940 -0.042 1
1 392 . 13 1 1 A 35 35 GLY CA C 35 46.216 46.476 -0.260 1
1 393 . 13 1 1 A 35 35 GLY N N 35 106.508 108.806 -2.298 1
1 394 . 13 1 1 A 36 36 THR H H 36 8.035 7.773 0.262 1
1 395 . 13 1 1 A 36 36 THR HA H 36 5.123 5.152 -0.029 1
1 400 . 13 1 1 A 36 36 THR C C 36 170.669 172.949 -2.280 1
1 401 . 13 1 1 A 36 36 THR CA C 36 60.588 59.341 1.247 1
1 402 . 13 1 1 A 36 36 THR CB C 36 72.314 72.602 -0.288 1
1 404 . 13 1 1 A 36 36 THR N N 36 112.047 110.378 1.669 1
1 405 . 13 1 1 A 37 37 LEU H H 37 9.344 9.314 0.030 1
1 406 . 13 1 1 A 37 37 LEU HA H 37 5.616 5.183 0.433 1
1 416 . 13 1 1 A 37 37 LEU C C 37 175.787 175.068 0.719 1
1 417 . 13 1 1 A 37 37 LEU CA C 37 52.799 53.712 -0.913 1
1 418 . 13 1 1 A 37 37 LEU CB C 37 46.698 44.718 1.980 1
1 422 . 13 1 1 A 37 37 LEU N N 37 122.915 124.489 -1.574 1
1 423 . 13 1 1 A 38 38 GLY H H 38 9.685 8.796 0.889 1
1 424 . 13 1 1 A 38 38 GLY HA2 H 38 5.074 4.093 0.981 1
1 425 . 13 1 1 A 38 38 GLY HA3 H 38 3.825 4.262 -0.437 1
1 426 . 13 1 1 A 38 38 GLY C C 38 172.258 172.245 0.013 1
1 427 . 13 1 1 A 38 38 GLY CA C 38 43.676 44.055 -0.379 1
1 428 . 13 1 1 A 38 38 GLY N N 38 113.092 114.254 -1.162 1
1 429 . 13 1 1 A 39 39 TYR H H 39 7.362 8.144 -0.782 1
1 430 . 13 1 1 A 39 39 TYR HA H 39 5.251 5.285 -0.034 1
1 437 . 13 1 1 A 39 39 TYR C C 39 175.367 173.861 1.506 1
1 438 . 13 1 1 A 39 39 TYR CA C 39 54.282 55.258 -0.976 1
1 439 . 13 1 1 A 39 39 TYR CB C 39 37.774 40.075 -2.301 1
1 444 . 13 1 1 A 39 39 TYR N N 39 113.951 118.644 -4.693 1
1 445 . 13 1 1 A 40 40 TYR H H 40 9.315 9.077 0.238 1
1 446 . 13 1 1 A 40 40 TYR HA H 40 5.305 4.861 0.444 1
1 453 . 13 1 1 A 40 40 TYR C C 40 177.694 176.670 1.024 1
1 454 . 13 1 1 A 40 40 TYR CA C 40 57.185 57.673 -0.488 1
1 455 . 13 1 1 A 40 40 TYR CB C 40 43.779 40.844 2.935 1
1 460 . 13 1 1 A 40 40 TYR N N 40 117.930 123.190 -5.260 1
1 461 . 13 1 1 A 41 41 HIS H H 41 8.658 9.075 -0.417 1
1 462 . 13 1 1 A 41 41 HIS HA H 41 4.654 4.222 0.432 1
1 467 . 13 1 1 A 41 41 HIS C C 41 174.858 173.703 1.155 1
1 468 . 13 1 1 A 41 41 HIS CA C 41 59.159 60.351 -1.192 1
1 469 . 13 1 1 A 41 41 HIS CB C 41 31.094 30.389 0.705 1
1 472 . 13 1 1 A 41 41 HIS N N 41 121.927 122.080 -0.153 1
1 473 . 13 1 1 A 42 42 ASP H H 42 8.095 7.904 0.191 1
1 474 . 13 1 1 A 42 42 ASP HA H 42 4.795 4.680 0.115 1
1 477 . 13 1 1 A 42 42 ASP C C 42 175.052 176.648 -1.596 1
1 478 . 13 1 1 A 42 42 ASP CA C 42 53.155 52.299 0.856 1
1 479 . 13 1 1 A 42 42 ASP CB C 42 41.860 43.463 -1.603 1
1 480 . 13 1 1 A 42 42 ASP N N 42 112.020 114.974 -2.954 1
1 481 . 13 1 1 A 43 43 GLU H H 43 8.899 8.913 -0.014 1
1 482 . 13 1 1 A 43 43 GLU C C 43 176.336 176.530 -0.194 1
1 483 . 13 1 1 A 43 43 GLU CA C 43 57.021 58.581 -1.560 1
1 484 . 13 1 1 A 43 43 GLU CB C 43 27.493 28.905 -1.412 1
1 485 . 13 1 1 A 43 43 GLU N N 43 116.402 120.278 -3.876 1
1 486 . 13 1 1 A 44 44 THR H H 44 8.093 7.501 0.592 1
1 487 . 13 1 1 A 44 44 THR HA H 44 3.915 4.187 -0.272 1
1 492 . 13 1 1 A 44 44 THR CA C 44 63.143 61.485 1.658 1
1 493 . 13 1 1 A 44 44 THR CB C 44 69.620 68.656 0.964 1
1 495 . 13 1 1 A 44 44 THR N N 44 111.376 112.003 -0.627 1
1 496 . 13 1 1 A 45 45 ALA H H 45 7.815 8.661 -0.846 1
1 497 . 13 1 1 A 45 45 ALA HA H 45 3.430 3.893 -0.463 1
1 501 . 13 1 1 A 45 45 ALA C C 45 175.091 177.760 -2.669 1
1 502 . 13 1 1 A 45 45 ALA CA C 45 53.434 51.764 1.670 1
1 503 . 13 1 1 A 45 45 ALA CB C 45 15.567 17.112 -1.545 1
1 504 . 13 1 1 A 46 46 GLN H H 46 7.869 7.965 -0.096 1
1 505 . 13 1 1 A 46 46 GLN HA H 46 4.238 4.430 -0.192 1
1 512 . 13 1 1 A 46 46 GLN C C 46 176.190 176.189 0.001 1
1 513 . 13 1 1 A 46 46 GLN CA C 46 56.929 56.504 0.425 1
1 514 . 13 1 1 A 46 46 GLN CB C 46 30.454 29.877 0.577 1
1 516 . 13 1 1 A 46 46 GLN N N 46 115.953 117.250 -1.297 1
1 518 . 13 1 1 A 47 47 ASP H H 47 8.326 8.014 0.312 1
1 519 . 13 1 1 A 47 47 ASP HA H 47 4.954 4.959 -0.005 1
1 522 . 13 1 1 A 47 47 ASP C C 47 173.846 175.544 -1.698 1
1 523 . 13 1 1 A 47 47 ASP CA C 47 52.993 53.762 -0.769 1
1 524 . 13 1 1 A 47 47 ASP CB C 47 41.558 41.394 0.164 1
1 525 . 13 1 1 A 47 47 ASP N N 47 119.830 118.129 1.701 1
1 526 . 13 1 1 A 48 48 GLU H H 48 8.756 7.824 0.932 1
1 527 . 13 1 1 A 48 48 GLU HA H 48 3.785 3.689 0.096 1
1 532 . 13 1 1 A 48 48 GLU C C 48 175.892 176.551 -0.659 1
1 533 . 13 1 1 A 48 48 GLU CA C 48 56.470 57.289 -0.819 1
1 534 . 13 1 1 A 48 48 GLU CB C 48 32.264 30.780 1.484 1
1 536 . 13 1 1 A 48 48 GLU N N 48 125.923 122.534 3.389 1
1 537 . 13 1 1 A 49 49 GLU H H 49 8.945 8.456 0.489 1
1 538 . 13 1 1 A 49 49 GLU HA H 49 4.164 4.354 -0.190 1
1 543 . 13 1 1 A 49 49 GLU C C 49 176.040 175.917 0.123 1
1 544 . 13 1 1 A 49 49 GLU CA C 49 58.447 57.994 0.453 1
1 545 . 13 1 1 A 49 49 GLU CB C 49 30.207 31.095 -0.888 1
1 547 . 13 1 1 A 49 49 GLU N N 49 129.751 124.400 5.351 1
1 548 . 13 1 1 A 50 50 ASP H H 50 6.736 7.148 -0.412 1
1 549 . 13 1 1 A 50 50 ASP HA H 50 4.355 4.807 -0.452 1
1 552 . 13 1 1 A 50 50 ASP C C 50 172.562 173.554 -0.992 1
1 553 . 13 1 1 A 50 50 ASP CA C 50 52.729 53.240 -0.511 1
1 554 . 13 1 1 A 50 50 ASP CB C 50 43.737 44.385 -0.648 1
1 555 . 13 1 1 A 50 50 ASP N N 50 113.574 116.182 -2.608 1
1 556 . 13 1 1 A 51 51 ARG H H 51 8.532 8.591 -0.059 1
1 557 . 13 1 1 A 51 51 ARG HA H 51 5.005 4.733 0.272 1
1 565 . 13 1 1 A 51 51 ARG C C 51 174.656 174.565 0.091 1
1 566 . 13 1 1 A 51 51 ARG CA C 51 55.605 55.507 0.098 1
1 567 . 13 1 1 A 51 51 ARG CB C 51 33.520 33.966 -0.446 1
1 570 . 13 1 1 A 51 51 ARG N N 51 117.888 121.556 -3.668 1
1 572 . 13 1 1 A 52 52 VAL H H 52 9.155 9.007 0.148 1
1 573 . 13 1 1 A 52 52 VAL HA H 52 4.616 4.979 -0.363 1
1 581 . 13 1 1 A 52 52 VAL C C 52 174.710 175.189 -0.479 1
1 582 . 13 1 1 A 52 52 VAL CA C 52 59.382 59.620 -0.238 1
1 583 . 13 1 1 A 52 52 VAL CB C 52 35.266 34.536 0.730 1
1 586 . 13 1 1 A 52 52 VAL N N 52 121.629 122.173 -0.544 1
1 587 . 13 1 1 A 53 53 VAL H H 53 8.956 8.983 -0.027 1
1 588 . 13 1 1 A 53 53 VAL HA H 53 3.745 4.262 -0.517 1
1 596 . 13 1 1 A 53 53 VAL C C 53 174.610 175.668 -1.058 1
1 597 . 13 1 1 A 53 53 VAL CA C 53 64.676 62.636 2.040 1
1 598 . 13 1 1 A 53 53 VAL CB C 53 32.305 32.394 -0.089 1
1 601 . 13 1 1 A 53 53 VAL N N 53 125.547 123.239 2.308 1
1 602 . 13 1 1 A 54 54 ILE H H 54 8.705 9.067 -0.362 1
1 603 . 13 1 1 A 54 54 ILE HA H 54 4.324 4.263 0.061 1
1 613 . 13 1 1 A 54 54 ILE C C 54 176.747 176.352 0.395 1
1 614 . 13 1 1 A 54 54 ILE CA C 54 58.623 62.736 -4.113 1
1 615 . 13 1 1 A 54 54 ILE CB C 54 36.787 39.190 -2.403 1
1 619 . 13 1 1 A 54 54 ILE N N 54 126.147 126.528 -0.381 1
1 620 . 13 1 1 A 55 55 HIS H H 55 7.913 7.605 0.308 1
1 621 . 13 1 1 A 55 55 HIS HA H 55 4.626 4.192 0.434 1
1 626 . 13 1 1 A 55 55 HIS C C 55 174.365 175.641 -1.276 1
1 627 . 13 1 1 A 55 55 HIS CA C 55 57.917 57.056 0.861 1
1 628 . 13 1 1 A 55 55 HIS CB C 55 29.796 29.607 0.189 1
1 631 . 13 1 1 A 55 55 HIS N N 55 119.790 123.491 -3.701 1
1 632 . 13 1 1 A 56 56 PHE H H 56 9.382 8.508 0.874 1
1 633 . 13 1 1 A 56 56 PHE HA H 56 4.225 4.192 0.033 1
1 641 . 13 1 1 A 56 56 PHE C C 56 175.781 175.085 0.696 1
1 642 . 13 1 1 A 56 56 PHE CA C 56 57.593 58.319 -0.726 1
1 643 . 13 1 1 A 56 56 PHE CB C 56 36.664 36.108 0.556 1
1 649 . 13 1 1 A 56 56 PHE N N 56 124.614 122.972 1.642 1
1 650 . 13 1 1 A 57 57 ASN H H 57 8.755 7.718 1.037 1
1 651 . 13 1 1 A 57 57 ASN HA H 57 5.319 5.100 0.219 1
1 656 . 13 1 1 A 57 57 ASN C C 57 175.317 175.546 -0.229 1
1 657 . 13 1 1 A 57 57 ASN CA C 57 52.129 54.013 -1.884 1
1 658 . 13 1 1 A 57 57 ASN CB C 57 41.640 41.500 0.140 1
1 659 . 13 1 1 A 57 57 ASN N N 57 114.893 116.103 -1.210 1
1 661 . 13 1 1 A 58 58 VAL H H 58 8.606 7.536 1.070 1
1 662 . 13 1 1 A 58 58 VAL HA H 58 4.138 4.568 -0.430 1
1 670 . 13 1 1 A 58 58 VAL C C 58 175.486 175.999 -0.513 1
1 671 . 13 1 1 A 58 58 VAL CA C 58 63.035 62.969 0.066 1
1 672 . 13 1 1 A 58 58 VAL CB C 58 32.733 30.917 1.816 1
1 675 . 13 1 1 A 58 58 VAL N N 58 121.476 118.596 2.880 1
1 676 . 13 1 1 A 59 59 ARG H H 59 9.233 8.616 0.617 1
1 677 . 13 1 1 A 59 59 ARG HA H 59 4.184 4.138 0.046 1
1 684 . 13 1 1 A 59 59 ARG C C 59 175.572 175.271 0.301 1
1 685 . 13 1 1 A 59 59 ARG CA C 59 58.093 57.797 0.296 1
1 686 . 13 1 1 A 59 59 ARG CB C 59 31.236 31.045 0.191 1
1 689 . 13 1 1 A 59 59 ARG N N 59 128.965 129.939 -0.974 1
1 690 . 13 1 1 A 60 60 ASP H H 60 7.745 7.800 -0.055 1
1 691 . 13 1 1 A 60 60 ASP HA H 60 4.485 4.997 -0.512 1
1 694 . 13 1 1 A 60 60 ASP C C 60 173.047 173.869 -0.822 1
1 695 . 13 1 1 A 60 60 ASP CA C 60 53.911 53.249 0.662 1
1 696 . 13 1 1 A 60 60 ASP CB C 60 42.874 44.190 -1.316 1
1 697 . 13 1 1 A 60 60 ASP N N 60 113.170 117.604 -4.434 1
1 698 . 13 1 1 A 61 61 ILE H H 61 8.398 8.530 -0.132 1
1 699 . 13 1 1 A 61 61 ILE HA H 61 5.055 4.969 0.086 1
1 709 . 13 1 1 A 61 61 ILE C C 61 174.897 174.301 0.596 1
1 710 . 13 1 1 A 61 61 ILE CA C 61 60.511 60.260 0.251 1
1 711 . 13 1 1 A 61 61 ILE CB C 61 41.558 41.076 0.482 1
1 715 . 13 1 1 A 61 61 ILE N N 61 118.375 121.945 -3.570 1
1 716 . 13 1 1 A 62 62 LYS H H 62 8.619 9.058 -0.439 1
1 717 . 13 1 1 A 62 62 LYS HA H 62 4.711 4.973 -0.262 1
1 726 . 13 1 1 A 62 62 LYS C C 62 174.636 175.481 -0.845 1
1 727 . 13 1 1 A 62 62 LYS CA C 62 53.947 54.987 -1.040 1
1 728 . 13 1 1 A 62 62 LYS CB C 62 35.677 35.334 0.343 1
1 732 . 13 1 1 A 62 62 LYS N N 62 128.701 126.577 2.124 1
1 733 . 13 1 1 A 63 63 VAL H H 63 8.946 8.769 0.177 1
1 734 . 13 1 1 A 63 63 VAL HA H 63 5.073 4.580 0.493 1
1 742 . 13 1 1 A 63 63 VAL C C 63 177.772 176.256 1.516 1
1 743 . 13 1 1 A 63 63 VAL CA C 63 59.734 60.902 -1.168 1
1 744 . 13 1 1 A 63 63 VAL CB C 63 36.210 34.496 1.714 1
1 747 . 13 1 1 A 63 63 VAL N N 63 120.053 122.881 -2.828 1
1 748 . 13 1 1 A 64 64 GLY H H 64 9.804 8.962 0.842 1
1 749 . 13 1 1 A 64 64 GLY HA2 H 64 4.415 3.943 0.472 1
1 750 . 13 1 1 A 64 64 GLY HA3 H 64 3.906 3.943 -0.037 1
1 751 . 13 1 1 A 64 64 GLY C C 64 176.864 175.044 1.820 1
1 752 . 13 1 1 A 64 64 GLY CA C 64 47.063 47.101 -0.038 1
1 753 . 13 1 1 A 64 64 GLY N N 64 118.354 115.058 3.296 1
1 754 . 13 1 1 A 65 65 GLN H H 65 9.045 8.865 0.180 1
1 755 . 13 1 1 A 65 65 GLN HA H 65 3.944 4.067 -0.123 1
1 762 . 13 1 1 A 65 65 GLN C C 65 176.698 178.149 -1.451 1
1 763 . 13 1 1 A 65 65 GLN CA C 65 57.793 58.616 -0.823 1
1 764 . 13 1 1 A 65 65 GLN CB C 65 27.822 28.424 -0.602 1
1 766 . 13 1 1 A 65 65 GLN N N 65 124.600 124.872 -0.272 1
1 768 . 13 1 1 A 66 66 GLU H H 66 7.886 7.667 0.219 1
1 769 . 13 1 1 A 66 66 GLU HA H 66 4.145 4.054 0.091 1
1 774 . 13 1 1 A 66 66 GLU C C 66 178.049 177.569 0.480 1
1 775 . 13 1 1 A 66 66 GLU CA C 66 57.564 59.473 -1.909 1
1 776 . 13 1 1 A 66 66 GLU CB C 66 31.236 29.451 1.785 1
1 778 . 13 1 1 A 66 66 GLU N N 66 116.486 119.052 -2.566 1
1 779 . 13 1 1 A 67 67 CYS H H 67 8.015 7.761 0.254 1
1 780 . 13 1 1 A 67 67 CYS HA H 67 4.331 4.387 -0.056 1
1 783 . 13 1 1 A 67 67 CYS C C 67 175.278 174.141 1.137 1
1 784 . 13 1 1 A 67 67 CYS CA C 67 58.817 58.749 0.068 1
1 785 . 13 1 1 A 67 67 CYS CB C 67 26.342 27.822 -1.480 1
1 786 . 13 1 1 A 67 67 CYS N N 67 119.526 118.448 1.078 1
1 787 . 13 1 1 A 68 68 GLN H H 68 7.983 8.650 -0.667 1
1 788 . 13 1 1 A 68 68 GLN HA H 68 4.199 4.539 -0.340 1
1 795 . 13 1 1 A 68 68 GLN C C 68 175.866 176.751 -0.885 1
1 796 . 13 1 1 A 68 68 GLN CA C 68 56.399 56.915 -0.516 1
1 797 . 13 1 1 A 68 68 GLN CB C 68 29.837 30.347 -0.510 1
1 799 . 13 1 1 A 68 68 GLN N N 68 120.826 125.147 -4.321 1
1 801 . 13 1 1 A 69 69 ASP H H 69 8.755 8.343 0.412 1
1 802 . 13 1 1 A 69 69 ASP HA H 69 4.395 4.372 0.023 1
1 805 . 13 1 1 A 69 69 ASP C C 69 174.652 177.356 -2.704 1
1 806 . 13 1 1 A 69 69 ASP CA C 69 54.546 57.747 -3.201 1
1 807 . 13 1 1 A 69 69 ASP CB C 69 39.954 41.007 -1.053 1
1 808 . 13 1 1 A 69 69 ASP N N 69 117.691 120.549 -2.858 1
1 809 . 13 1 1 A 70 70 VAL H H 70 7.245 7.602 -0.357 1
1 810 . 13 1 1 A 70 70 VAL HA H 70 4.173 4.124 0.049 1
1 818 . 13 1 1 A 70 70 VAL C C 70 173.502 175.132 -1.630 1
1 819 . 13 1 1 A 70 70 VAL CA C 70 60.502 62.599 -2.097 1
1 820 . 13 1 1 A 70 70 VAL CB C 70 34.397 32.897 1.500 1
1 823 . 13 1 1 A 70 70 VAL N N 70 116.632 118.980 -2.348 1
1 824 . 13 1 1 A 71 71 GLN H H 71 8.513 8.777 -0.264 1
1 825 . 13 1 1 A 71 71 GLN HA H 71 4.758 4.818 -0.060 1
1 832 . 13 1 1 A 71 71 GLN C C 71 173.404 173.678 -0.274 1
1 833 . 13 1 1 A 71 71 GLN CA C 71 52.093 52.267 -0.174 1
1 834 . 13 1 1 A 71 71 GLN CB C 71 29.467 30.162 -0.695 1
1 836 . 13 1 1 A 71 71 GLN N N 71 125.361 127.559 -2.198 1
1 838 . 13 1 1 A 72 72 PRO HA H 72 3.955 4.283 -0.328 1
1 845 . 13 1 1 A 72 72 PRO CA C 72 61.219 61.709 -0.490 1
1 846 . 13 1 1 A 72 72 PRO CB C 72 30.548 31.838 -1.290 1
1 849 . 13 1 1 A 73 73 PRO HA H 73 3.584 4.409 -0.825 1
1 856 . 13 1 1 A 73 73 PRO C C 73 175.005 175.819 -0.814 1
1 857 . 13 1 1 A 73 73 PRO CA C 73 61.764 61.962 -0.198 1
1 858 . 13 1 1 A 73 73 PRO CB C 73 30.080 32.608 -2.528 1
1 861 . 13 1 1 A 74 74 GLU H H 74 8.066 8.420 -0.354 1
1 862 . 13 1 1 A 74 74 GLU HA H 74 3.766 4.005 -0.239 1
1 867 . 13 1 1 A 74 74 GLU C C 74 177.415 176.887 0.528 1
1 868 . 13 1 1 A 74 74 GLU CA C 74 58.005 57.488 0.517 1
1 869 . 13 1 1 A 74 74 GLU CB C 74 29.340 29.573 -0.233 1
1 871 . 13 1 1 A 74 74 GLU N N 74 120.425 121.958 -1.533 1
1 872 . 13 1 1 A 75 75 GLY H H 75 8.576 8.709 -0.133 1
1 873 . 13 1 1 A 75 75 GLY HA2 H 75 4.024 3.868 0.156 1
1 874 . 13 1 1 A 75 75 GLY HA3 H 75 3.568 3.911 -0.343 1
1 875 . 13 1 1 A 75 75 GLY C C 75 174.093 174.641 -0.548 1
1 876 . 13 1 1 A 75 75 GLY CA C 75 45.299 45.075 0.224 1
1 877 . 13 1 1 A 75 75 GLY N N 75 112.779 114.592 -1.813 1
1 878 . 13 1 1 A 76 76 ARG H H 76 7.791 7.690 0.101 1
1 879 . 13 1 1 A 76 76 ARG HA H 76 4.444 4.190 0.254 1
1 887 . 13 1 1 A 76 76 ARG C C 76 175.188 174.632 0.556 1
1 888 . 13 1 1 A 76 76 ARG CA C 76 54.617 56.227 -1.610 1
1 889 . 13 1 1 A 76 76 ARG CB C 76 31.030 31.493 -0.463 1
1 892 . 13 1 1 A 76 76 ARG N N 76 121.088 121.343 -0.255 1
1 894 . 13 1 1 A 77 77 SER H H 77 8.235 8.639 -0.404 1
1 895 . 13 1 1 A 77 77 SER HA H 77 4.405 4.778 -0.373 1
1 898 . 13 1 1 A 77 77 SER C C 77 176.069 173.991 2.078 1
1 899 . 13 1 1 A 77 77 SER CA C 77 56.805 57.499 -0.694 1
1 900 . 13 1 1 A 77 77 SER CB C 77 64.136 67.185 -3.049 1
1 901 . 13 1 1 A 77 77 SER N N 77 113.991 115.168 -1.177 1
1 902 . 13 1 1 A 78 78 ARG H H 78 8.745 8.853 -0.108 1
1 903 . 13 1 1 A 78 78 ARG HA H 78 3.774 4.134 -0.360 1
1 909 . 13 1 1 A 78 78 ARG C C 78 176.758 176.822 -0.064 1
1 910 . 13 1 1 A 78 78 ARG CA C 78 58.341 58.524 -0.183 1
1 911 . 13 1 1 A 78 78 ARG CB C 78 30.043 29.893 0.150 1
1 914 . 13 1 1 A 78 78 ARG N N 78 122.262 124.434 -2.172 1
1 915 . 13 1 1 A 79 79 ASP H H 79 8.106 7.969 0.137 1
1 916 . 13 1 1 A 79 79 ASP HA H 79 4.175 4.722 -0.547 1
1 919 . 13 1 1 A 79 79 ASP C C 79 175.579 177.184 -1.605 1
1 920 . 13 1 1 A 79 79 ASP CA C 79 57.159 54.278 2.881 1
1 921 . 13 1 1 A 79 79 ASP CB C 79 40.900 41.230 -0.330 1
1 922 . 13 1 1 A 79 79 ASP N N 79 115.963 117.616 -1.653 1
1 923 . 13 1 1 A 80 80 GLY H H 80 7.305 7.633 -0.328 1
1 924 . 13 1 1 A 80 80 GLY HA2 H 80 4.047 4.055 -0.008 1
1 925 . 13 1 1 A 80 80 GLY HA3 H 80 3.387 4.078 -0.691 1
1 926 . 13 1 1 A 80 80 GLY C C 80 174.263 174.588 -0.325 1
1 927 . 13 1 1 A 80 80 GLY CA C 80 44.276 45.505 -1.229 1
1 928 . 13 1 1 A 80 80 GLY N N 80 101.592 107.716 -6.124 1
1 929 . 13 1 1 A 81 81 LEU H H 81 7.307 7.308 -0.001 1
1 930 . 13 1 1 A 81 81 LEU HA H 81 4.494 4.235 0.259 1
1 940 . 13 1 1 A 81 81 LEU C C 81 176.212 176.499 -0.287 1
1 941 . 13 1 1 A 81 81 LEU CA C 81 56.346 55.965 0.381 1
1 942 . 13 1 1 A 81 81 LEU CB C 81 44.025 42.600 1.425 1
1 946 . 13 1 1 A 81 81 LEU N N 81 121.062 122.235 -1.173 1
1 947 . 13 1 1 A 82 82 LEU H H 82 8.286 8.595 -0.309 1
1 948 . 13 1 1 A 82 82 LEU HA H 82 5.260 4.977 0.283 1
1 958 . 13 1 1 A 82 82 LEU C C 82 175.122 174.560 0.562 1
1 959 . 13 1 1 A 82 82 LEU CA C 82 55.334 54.654 0.680 1
1 960 . 13 1 1 A 82 82 LEU CB C 82 46.064 45.291 0.773 1
1 964 . 13 1 1 A 82 82 LEU N N 82 118.524 121.952 -3.428 1
1 965 . 13 1 1 A 83 83 THR H H 83 9.095 9.129 -0.034 1
1 966 . 13 1 1 A 83 83 THR HA H 83 5.305 5.390 -0.085 1
1 971 . 13 1 1 A 83 83 THR C C 83 173.754 173.291 0.463 1
1 972 . 13 1 1 A 83 83 THR CA C 83 61.076 61.543 -0.467 1
1 973 . 13 1 1 A 83 83 THR CB C 83 71.268 70.625 0.643 1
1 975 . 13 1 1 A 83 83 THR N N 83 120.894 123.149 -2.255 1
1 976 . 13 1 1 A 84 84 VAL H H 84 9.175 8.914 0.261 1
1 977 . 13 1 1 A 84 84 VAL HA H 84 4.205 4.478 -0.273 1
1 985 . 13 1 1 A 84 84 VAL C C 84 173.741 174.794 -1.053 1
1 986 . 13 1 1 A 84 84 VAL CA C 84 61.182 60.919 0.263 1
1 987 . 13 1 1 A 84 84 VAL CB C 84 32.921 33.977 -1.056 1
1 990 . 13 1 1 A 84 84 VAL N N 84 127.342 127.361 -0.019 1
1 991 . 13 1 1 A 85 85 ASN H H 85 8.597 8.923 -0.326 1
1 992 . 13 1 1 A 85 85 ASN HA H 85 4.960 5.302 -0.342 1
1 997 . 13 1 1 A 85 85 ASN C C 85 174.440 174.420 0.020 1
1 998 . 13 1 1 A 85 85 ASN CA C 85 52.870 52.339 0.531 1
1 999 . 13 1 1 A 85 85 ASN CB C 85 39.214 40.945 -1.731 1
1 1000 . 13 1 1 A 85 85 ASN N N 85 125.999 125.572 0.427 1
1 1002 . 13 1 1 A 86 86 LEU H H 86 8.283 8.906 -0.623 1
1 1003 . 13 1 1 A 86 86 LEU HA H 86 5.176 5.107 0.069 1
1 1013 . 13 1 1 A 86 86 LEU C C 86 178.644 177.079 1.565 1
1 1014 . 13 1 1 A 86 86 LEU CA C 86 53.700 53.245 0.455 1
1 1015 . 13 1 1 A 86 86 LEU CB C 86 42.298 44.490 -2.192 1
1 1019 . 13 1 1 A 86 86 LEU N N 86 125.763 122.929 2.834 1
1 1020 . 13 1 1 A 87 87 ARG H H 87 8.655 9.021 -0.366 1
1 1021 . 13 1 1 A 87 87 ARG HA H 87 3.905 4.046 -0.141 1
1 1028 . 13 1 1 A 87 87 ARG C C 87 177.223 177.922 -0.699 1
1 1029 . 13 1 1 A 87 87 ARG CA C 87 59.717 59.714 0.003 1
1 1030 . 13 1 1 A 87 87 ARG CB C 87 29.280 30.102 -0.822 1
1 1033 . 13 1 1 A 87 87 ARG N N 87 123.105 122.975 0.130 1
1 1034 . 13 1 1 A 88 88 GLU H H 88 8.525 7.929 0.596 1
1 1035 . 13 1 1 A 88 88 GLU HA H 88 4.515 4.231 0.284 1
1 1040 . 13 1 1 A 88 88 GLU C C 88 175.762 176.914 -1.152 1
1 1041 . 13 1 1 A 88 88 GLU CA C 88 55.852 56.266 -0.414 1
1 1042 . 13 1 1 A 88 88 GLU CB C 88 30.249 30.191 0.058 1
1 1044 . 13 1 1 A 88 88 GLU N N 88 117.722 116.034 1.688 1
1 1045 . 13 1 1 A 89 89 GLY H H 89 8.063 8.685 -0.622 1
1 1046 . 13 1 1 A 89 89 GLY HA2 H 89 3.735 3.992 -0.257 1
1 1047 . 13 1 1 A 89 89 GLY HA3 H 89 4.536 3.994 0.542 1
1 1048 . 13 1 1 A 89 89 GLY C C 89 173.864 173.698 0.166 1
1 1049 . 13 1 1 A 89 89 GLY CA C 89 44.222 46.263 -2.041 1
1 1050 . 13 1 1 A 89 89 GLY N N 89 110.616 110.916 -0.300 1
1 1051 . 13 1 1 A 90 90 SER H H 90 8.094 7.818 0.276 1
1 1052 . 13 1 1 A 90 90 SER HA H 90 4.484 5.074 -0.590 1
1 1055 . 13 1 1 A 90 90 SER C C 90 172.813 172.898 -0.085 1
1 1056 . 13 1 1 A 90 90 SER CA C 90 58.552 57.426 1.126 1
1 1057 . 13 1 1 A 90 90 SER CB C 90 63.915 66.774 -2.859 1
1 1058 . 13 1 1 A 90 90 SER N N 90 116.620 114.381 2.239 1
1 1059 . 13 1 1 A 91 91 ARG H H 91 8.285 8.720 -0.435 1
1 1060 . 13 1 1 A 91 91 ARG HA H 91 4.725 5.227 -0.502 1
1 1067 . 13 1 1 A 91 91 ARG C C 91 175.511 174.827 0.684 1
1 1068 . 13 1 1 A 91 91 ARG CA C 91 55.870 53.670 2.200 1
1 1069 . 13 1 1 A 91 91 ARG CB C 91 32.058 34.070 -2.012 1
1 1072 . 13 1 1 A 91 91 ARG N N 91 121.045 119.907 1.138 1
1 1073 . 13 1 1 A 92 92 LEU H H 92 8.485 9.171 -0.686 1
1 1074 . 13 1 1 A 92 92 LEU HA H 92 4.555 4.828 -0.273 1
1 1084 . 13 1 1 A 92 92 LEU C C 92 174.815 175.753 -0.938 1
1 1085 . 13 1 1 A 92 92 LEU CA C 92 53.629 53.765 -0.136 1
1 1086 . 13 1 1 A 92 92 LEU CB C 92 44.066 44.006 0.060 1
1 1090 . 13 1 1 A 92 92 LEU N N 92 123.633 120.684 2.949 1
1 1091 . 13 1 1 A 93 93 HIS H H 93 8.871 8.997 -0.126 1
1 1092 . 13 1 1 A 93 93 HIS HA H 93 5.135 4.912 0.223 1
1 1097 . 13 1 1 A 93 93 HIS C C 93 173.251 175.265 -2.014 1
1 1098 . 13 1 1 A 93 93 HIS CA C 93 56.135 56.249 -0.114 1
1 1099 . 13 1 1 A 93 93 HIS CB C 93 30.701 29.375 1.326 1
1 1101 . 13 1 1 A 93 93 HIS N N 93 124.492 123.589 0.903 1
1 1102 . 13 1 1 A 94 94 LEU H H 94 9.105 9.166 -0.061 1
1 1103 . 13 1 1 A 94 94 LEU HA H 94 5.940 5.524 0.416 1
1 1113 . 13 1 1 A 94 94 LEU C C 94 177.396 175.490 1.906 1
1 1114 . 13 1 1 A 94 94 LEU CA C 94 52.552 53.391 -0.839 1
1 1115 . 13 1 1 A 94 94 LEU CB C 94 45.465 46.511 -1.046 1
1 1119 . 13 1 1 A 94 94 LEU N N 94 122.911 125.011 -2.100 1
1 1120 . 13 1 1 A 95 95 CYS H H 95 8.953 8.584 0.369 1
1 1121 . 13 1 1 A 95 95 CYS HA H 95 4.863 4.989 -0.126 1
1 1124 . 13 1 1 A 95 95 CYS C C 95 172.585 173.433 -0.848 1
1 1125 . 13 1 1 A 95 95 CYS CA C 95 59.964 58.087 1.877 1
1 1126 . 13 1 1 A 95 95 CYS CB C 95 29.220 31.096 -1.876 1
1 1127 . 13 1 1 A 95 95 CYS N N 95 118.920 118.974 -0.054 1
1 1128 . 13 1 1 A 96 96 ALA H H 96 9.465 8.411 1.054 1
1 1129 . 13 1 1 A 96 96 ALA HA H 96 5.035 4.934 0.101 1
1 1133 . 13 1 1 A 96 96 ALA C C 96 177.396 178.903 -1.507 1
1 1134 . 13 1 1 A 96 96 ALA CA C 96 50.205 50.197 0.008 1
1 1135 . 13 1 1 A 96 96 ALA CB C 96 21.571 22.130 -0.559 1
1 1136 . 13 1 1 A 96 96 ALA N N 96 132.924 127.589 5.335 1
1 1137 . 13 1 1 A 97 97 GLU H H 97 9.636 8.915 0.721 1
1 1138 . 13 1 1 A 97 97 GLU HA H 97 4.344 4.248 0.096 1
1 1143 . 13 1 1 A 97 97 GLU C C 97 176.882 176.494 0.388 1
1 1144 . 13 1 1 A 97 97 GLU CA C 97 58.040 58.499 -0.459 1
1 1145 . 13 1 1 A 97 97 GLU CB C 97 30.207 29.514 0.693 1
1 1147 . 13 1 1 A 97 97 GLU N N 97 116.636 119.329 -2.693 1
1 1148 . 13 1 1 A 98 98 THR H H 98 7.155 7.626 -0.471 1
1 1149 . 13 1 1 A 98 98 THR HA H 98 4.684 4.732 -0.048 1
1 1154 . 13 1 1 A 98 98 THR C C 98 174.259 175.012 -0.753 1
1 1155 . 13 1 1 A 98 98 THR CA C 98 58.323 59.545 -1.222 1
1 1156 . 13 1 1 A 98 98 THR CB C 98 73.529 72.698 0.831 1
1 1158 . 13 1 1 A 98 98 THR N N 98 102.167 110.285 -8.118 1
1 1159 . 13 1 1 A 99 99 ARG H H 99 9.025 8.889 0.136 1
1 1160 . 13 1 1 A 99 99 ARG HA H 99 4.056 4.375 -0.319 1
1 1167 . 13 1 1 A 99 99 ARG C C 99 177.995 177.809 0.186 1
1 1168 . 13 1 1 A 99 99 ARG CA C 99 59.029 59.017 0.012 1
1 1169 . 13 1 1 A 99 99 ARG CB C 99 30.208 29.802 0.406 1
1 1172 . 13 1 1 A 99 99 ARG N N 99 122.747 122.074 0.673 1
1 1173 . 13 1 1 A 100 100 ASP H H 100 8.387 8.360 0.027 1
1 1174 . 13 1 1 A 100 100 ASP HA H 100 4.306 4.279 0.027 1
1 1177 . 13 1 1 A 100 100 ASP C C 100 179.110 178.197 0.913 1
1 1178 . 13 1 1 A 100 100 ASP CA C 100 57.475 57.586 -0.111 1
1 1179 . 13 1 1 A 100 100 ASP CB C 100 40.201 41.600 -1.399 1
1 1180 . 13 1 1 A 100 100 ASP N N 100 116.422 119.728 -3.306 1
1 1181 . 13 1 1 A 101 101 ASP H H 101 8.046 7.875 0.171 1
1 1182 . 13 1 1 A 101 101 ASP HA H 101 4.576 4.309 0.267 1
1 1185 . 13 1 1 A 101 101 ASP C C 101 177.751 178.691 -0.940 1
1 1186 . 13 1 1 A 101 101 ASP CA C 101 57.229 57.313 -0.084 1
1 1187 . 13 1 1 A 101 101 ASP CB C 101 42.093 40.388 1.705 1
1 1188 . 13 1 1 A 101 101 ASP N N 101 120.742 118.407 2.335 1
1 1189 . 13 1 1 A 102 102 ALA H H 102 7.674 7.346 0.328 1
1 1190 . 13 1 1 A 102 102 ALA HA H 102 4.084 4.269 -0.185 1
1 1194 . 13 1 1 A 102 102 ALA C C 102 179.609 180.023 -0.414 1
1 1195 . 13 1 1 A 102 102 ALA CA C 102 56.364 55.216 1.148 1
1 1196 . 13 1 1 A 102 102 ALA CB C 102 17.952 18.325 -0.373 1
1 1197 . 13 1 1 A 102 102 ALA N N 102 122.523 122.228 0.295 1
1 1198 . 13 1 1 A 103 103 ILE H H 103 8.499 8.193 0.306 1
1 1199 . 13 1 1 A 103 103 ILE HA H 103 3.681 3.730 -0.049 1
1 1209 . 13 1 1 A 103 103 ILE C C 103 178.622 177.814 0.808 1
1 1210 . 13 1 1 A 103 103 ILE CA C 103 64.182 65.530 -1.348 1
1 1211 . 13 1 1 A 103 103 ILE CB C 103 37.240 37.692 -0.452 1
1 1215 . 13 1 1 A 103 103 ILE N N 103 117.417 118.615 -1.198 1
1 1216 . 13 1 1 A 104 104 ALA H H 104 8.174 8.512 -0.338 1
1 1217 . 13 1 1 A 104 104 ALA HA H 104 4.095 4.015 0.080 1
1 1221 . 13 1 1 A 104 104 ALA C C 104 181.998 179.404 2.594 1
1 1222 . 13 1 1 A 104 104 ALA CA C 104 55.517 54.947 0.570 1
1 1223 . 13 1 1 A 104 104 ALA CB C 104 17.294 17.885 -0.591 1
1 1224 . 13 1 1 A 104 104 ALA N N 104 124.916 122.007 2.909 1
1 1225 . 13 1 1 A 105 105 TRP H H 105 8.365 7.732 0.633 1
1 1226 . 13 1 1 A 105 105 TRP HA H 105 4.025 4.408 -0.383 1
1 1235 . 13 1 1 A 105 105 TRP C C 105 177.969 178.846 -0.877 1
1 1236 . 13 1 1 A 105 105 TRP CA C 105 62.011 60.061 1.950 1
1 1237 . 13 1 1 A 105 105 TRP CB C 105 29.179 29.372 -0.193 1
1 1243 . 13 1 1 A 105 105 TRP N N 105 119.726 118.689 1.037 1
1 1245 . 13 1 1 A 106 106 LYS H H 106 8.746 8.086 0.660 1
1 1246 . 13 1 1 A 106 106 LYS HA H 106 3.805 4.136 -0.331 1
1 1255 . 13 1 1 A 106 106 LYS C C 106 177.626 178.716 -1.090 1
1 1256 . 13 1 1 A 106 106 LYS CA C 106 60.865 59.438 1.427 1
1 1257 . 13 1 1 A 106 106 LYS CB C 106 31.606 32.070 -0.464 1
1 1261 . 13 1 1 A 106 106 LYS N N 106 120.565 120.798 -0.233 1
1 1262 . 13 1 1 A 107 107 THR H H 107 8.714 7.443 1.271 1
1 1263 . 13 1 1 A 107 107 THR HA H 107 3.774 3.988 -0.214 1
1 1268 . 13 1 1 A 107 107 THR C C 107 176.238 176.043 0.195 1
1 1269 . 13 1 1 A 107 107 THR CA C 107 66.688 66.438 0.250 1
1 1270 . 13 1 1 A 107 107 THR CB C 107 69.065 69.275 -0.210 1
1 1272 . 13 1 1 A 107 107 THR N N 107 115.018 116.236 -1.218 1
1 1273 . 13 1 1 A 108 108 ALA H H 108 7.769 8.269 -0.500 1
1 1274 . 13 1 1 A 108 108 ALA HA H 108 4.094 4.060 0.034 1
1 1278 . 13 1 1 A 108 108 ALA C C 108 180.611 179.592 1.019 1
1 1279 . 13 1 1 A 108 108 ALA CA C 108 55.005 54.779 0.226 1
1 1280 . 13 1 1 A 108 108 ALA CB C 108 18.015 18.315 -0.300 1
1 1281 . 13 1 1 A 108 108 ALA N N 108 123.150 123.349 -0.199 1
1 1282 . 13 1 1 A 109 109 LEU H H 109 8.795 8.046 0.749 1
1 1283 . 13 1 1 A 109 109 LEU HA H 109 4.045 4.218 -0.173 1
1 1293 . 13 1 1 A 109 109 LEU C C 109 178.758 179.128 -0.370 1
1 1294 . 13 1 1 A 109 109 LEU CA C 109 58.093 57.389 0.704 1
1 1295 . 13 1 1 A 109 109 LEU CB C 109 42.298 42.077 0.221 1
1 1299 . 13 1 1 A 109 109 LEU N N 109 118.714 119.200 -0.486 1
1 1300 . 13 1 1 A 110 110 MET H H 110 8.582 8.200 0.382 1
1 1301 . 13 1 1 A 110 110 MET HA H 110 4.404 4.038 0.366 1
1 1309 . 13 1 1 A 110 110 MET C C 110 180.290 178.808 1.482 1
1 1310 . 13 1 1 A 110 110 MET CA C 110 56.876 58.695 -1.819 1
1 1311 . 13 1 1 A 110 110 MET CB C 110 30.002 32.165 -2.163 1
1 1314 . 13 1 1 A 110 110 MET N N 110 117.122 116.673 0.449 1
1 1315 . 13 1 1 A 111 111 GLU H H 111 8.062 8.010 0.052 1
1 1316 . 13 1 1 A 111 111 GLU HA H 111 4.126 3.990 0.136 1
1 1321 . 13 1 1 A 111 111 GLU C C 111 179.237 178.625 0.612 1
1 1322 . 13 1 1 A 111 111 GLU CA C 111 59.435 58.987 0.448 1
1 1323 . 13 1 1 A 111 111 GLU CB C 111 29.015 29.736 -0.721 1
1 1325 . 13 1 1 A 111 111 GLU N N 111 121.532 119.390 2.142 1
1 1326 . 13 1 1 A 112 112 ALA H H 112 7.975 8.119 -0.144 1
1 1327 . 13 1 1 A 112 112 ALA HA H 112 4.265 4.084 0.181 1
1 1331 . 13 1 1 A 112 112 ALA C C 112 179.608 179.789 -0.181 1
1 1332 . 13 1 1 A 112 112 ALA CA C 112 54.158 54.839 -0.681 1
1 1333 . 13 1 1 A 112 112 ALA CB C 112 19.530 18.478 1.052 1
1 1334 . 13 1 1 A 112 112 ALA N N 112 121.838 122.486 -0.648 1
1 1335 . 13 1 1 A 113 113 ASN H H 113 8.115 8.385 -0.270 1
1 1336 . 13 1 1 A 113 113 ASN HA H 113 4.822 4.647 0.175 1
1 1341 . 13 1 1 A 113 113 ASN C C 113 176.296 175.683 0.613 1
1 1342 . 13 1 1 A 113 113 ASN CA C 113 56.311 55.776 0.535 1
1 1343 . 13 1 1 A 113 113 ASN CB C 113 40.283 38.522 1.761 1
1 1344 . 13 1 1 A 113 113 ASN N N 113 115.563 118.037 -2.474 1
1 1346 . 13 1 1 A 114 114 SER H H 114 7.365 7.972 -0.607 1
1 1347 . 13 1 1 A 114 114 SER HA H 114 4.545 3.746 0.799 1
1 1350 . 13 1 1 A 114 114 SER C C 114 174.126 172.225 1.901 1
1 1351 . 13 1 1 A 114 114 SER CA C 114 58.464 57.108 1.356 1
1 1352 . 13 1 1 A 114 114 SER CB C 114 64.400 63.262 1.138 1
1 1353 . 13 1 1 A 114 114 SER N N 114 108.652 111.239 -2.587 1
1 1354 . 13 1 1 A 115 115 THR H H 115 7.849 6.833 1.016 1
1 1355 . 13 1 1 A 115 115 THR HA H 115 4.599 4.847 -0.248 1
1 1360 . 13 1 1 A 115 115 THR C C 115 172.337 172.279 0.058 1
1 1361 . 13 1 1 A 115 115 THR CA C 115 60.817 59.139 1.678 1
1 1362 . 13 1 1 A 115 115 THR CB C 115 70.016 71.467 -1.451 1
1 1364 . 13 1 1 A 115 115 THR N N 115 118.885 114.891 3.994 1
1 1365 . 13 1 1 A 116 116 PRO HA H 116 4.404 4.952 -0.548 1
1 1372 . 13 1 1 A 116 116 PRO CA C 116 63.007 62.640 0.367 1
1 1373 . 13 1 1 A 116 116 PRO CB C 116 32.346 33.503 -1.157 1
1 1376 . 13 1 1 A 117 117 ALA H H 117 8.429 8.462 -0.033 1
1 1377 . 13 1 1 A 117 117 ALA HA H 117 4.535 4.765 -0.230 1
1 1381 . 13 1 1 A 117 117 ALA CA C 117 50.359 49.411 0.948 1
1 1382 . 13 1 1 A 117 117 ALA CB C 117 18.069 19.567 -1.498 1
1 1383 . 13 1 1 A 117 117 ALA N N 117 125.693 124.550 1.143 1
1 1384 . 13 1 1 A 118 118 PRO HA H 118 4.377 4.469 -0.092 1
1 1391 . 13 1 1 A 118 118 PRO C C 118 176.656 176.135 0.521 1
1 1392 . 13 1 1 A 118 118 PRO CA C 118 63.105 64.580 -1.475 1
1 1393 . 13 1 1 A 118 118 PRO CB C 118 31.935 32.244 -0.309 1
1 1396 . 13 1 1 A 119 119 ALA H H 119 8.430 7.284 1.146 1
1 1397 . 13 1 1 A 119 119 ALA HA H 119 4.255 4.619 -0.364 1
1 1401 . 13 1 1 A 119 119 ALA C C 119 178.416 175.219 3.197 1
1 1402 . 13 1 1 A 119 119 ALA CA C 119 52.744 51.535 1.209 1
1 1403 . 13 1 1 A 119 119 ALA CB C 119 19.186 22.627 -3.441 1
1 1404 . 13 1 1 A 119 119 ALA N N 119 124.565 116.461 8.104 1
1 1405 . 13 1 1 A 120 120 GLY H H 120 8.375 9.032 -0.657 1
1 1406 . 13 1 1 A 120 120 GLY HA2 H 120 3.934 4.140 -0.206 1
1 1407 . 13 1 1 A 120 120 GLY HA3 H 120 3.934 4.140 -0.206 1
1 1408 . 13 1 1 A 120 120 GLY C C 120 173.810 172.256 1.554 1
1 1409 . 13 1 1 A 120 120 GLY CA C 120 45.176 45.036 0.140 1
1 1410 . 13 1 1 A 120 120 GLY N N 120 108.353 107.047 1.306 1
1 1411 . 13 1 1 A 121 121 ALA H H 121 8.116 9.014 -0.898 1
1 1412 . 13 1 1 A 121 121 ALA HA H 121 4.379 4.993 -0.614 1
1 1416 . 13 1 1 A 121 121 ALA C C 121 177.908 177.073 0.835 1
1 1417 . 13 1 1 A 121 121 ALA CA C 121 52.446 50.981 1.465 1
1 1418 . 13 1 1 A 121 121 ALA CB C 121 19.433 20.292 -0.859 1
1 1419 . 13 1 1 A 121 121 ALA N N 121 123.561 127.521 -3.960 1
1 1420 . 13 1 1 A 122 122 THR H H 122 8.212 8.666 -0.454 1
1 1421 . 13 1 1 A 122 122 THR C C 122 174.317 173.675 0.642 1
1 1422 . 13 1 1 A 122 122 THR CA C 122 61.888 59.938 1.950 1
1 1423 . 13 1 1 A 122 122 THR CB C 122 69.648 71.610 -1.962 1
1 1425 . 13 1 1 A 122 122 THR N N 122 114.319 115.083 -0.764 1
1 1426 . 13 1 1 A 123 123 VAL H H 123 8.222 8.831 -0.609 1
1 1427 . 13 1 1 A 123 123 VAL HA H 123 4.455 4.743 -0.288 1
1 1435 . 13 1 1 A 123 123 VAL C C 123 174.373 174.901 -0.528 1
1 1436 . 13 1 1 A 123 123 VAL CA C 123 59.717 59.097 0.620 1
1 1437 . 13 1 1 A 123 123 VAL CB C 123 32.593 33.538 -0.945 1
1 1440 . 13 1 1 A 123 123 VAL N N 123 124.311 121.070 3.241 1
1 1441 . 13 1 1 A 124 124 PRO HA H 124 4.403 4.354 0.049 1
1 1446 . 13 1 1 A 124 124 PRO C C 124 176.873 176.883 -0.010 1
1 1447 . 13 1 1 A 124 124 PRO CA C 124 63.211 64.883 -1.672 1
1 1448 . 13 1 1 A 124 124 PRO CB C 124 32.017 32.049 -0.032 1
1 1451 . 13 1 1 A 125 125 SER H H 125 8.426 7.674 0.752 1
1 1452 . 13 1 1 A 125 125 SER HA H 125 4.448 4.391 0.057 1
1 1455 . 13 1 1 A 125 125 SER C C 125 174.598 173.867 0.731 1
1 1456 . 13 1 1 A 125 125 SER CA C 125 58.341 58.709 -0.368 1
1 1457 . 13 1 1 A 125 125 SER CB C 125 64.054 63.768 0.286 1
1 1458 . 13 1 1 A 125 125 SER N N 125 116.463 112.770 3.693 1
1 1459 . 13 1 1 A 126 126 GLY H H 126 8.233 8.652 -0.419 1
1 1460 . 13 1 1 A 126 126 GLY C C 126 171.756 171.727 0.029 1
1 1461 . 13 1 1 A 126 126 GLY CA C 126 44.611 45.109 -0.498 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.445 4.539 -0.094 1
1 4 . 14 1 1 A 6 6 SER C C 6 174.707 174.798 -0.091 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.482 59.675 -1.193 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.848 64.454 -0.606 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.494 8.150 0.344 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 4.105 4.146 -0.041 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 4.105 4.158 -0.053 1
1 10 . 14 1 1 A 7 7 GLY C C 7 172.961 174.441 -1.480 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.864 45.451 0.413 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.325 109.263 1.062 1
1 13 . 14 1 1 A 8 8 LEU H H 8 8.295 7.832 0.463 1
1 14 . 14 1 1 A 8 8 LEU HA H 8 4.268 4.972 -0.704 1
1 24 . 14 1 1 A 8 8 LEU C C 8 176.773 175.630 1.143 1
1 25 . 14 1 1 A 8 8 LEU CA C 8 55.587 53.713 1.874 1
1 26 . 14 1 1 A 8 8 LEU CB C 8 43.367 44.078 -0.711 1
1 30 . 14 1 1 A 8 8 LEU N N 8 123.800 122.715 1.085 1
1 31 . 14 1 1 A 9 9 VAL H H 9 9.290 8.979 0.311 1
1 32 . 14 1 1 A 9 9 VAL HA H 9 3.826 4.040 -0.214 1
1 40 . 14 1 1 A 9 9 VAL C C 9 176.540 175.775 0.765 1
1 41 . 14 1 1 A 9 9 VAL CA C 9 64.888 63.728 1.160 1
1 42 . 14 1 1 A 9 9 VAL CB C 9 32.264 32.501 -0.237 1
1 45 . 14 1 1 A 9 9 VAL N N 9 129.415 125.796 3.619 1
1 46 . 14 1 1 A 10 10 ARG H H 10 7.135 7.596 -0.461 1
1 47 . 14 1 1 A 10 10 ARG HA H 10 4.126 4.692 -0.566 1
1 55 . 14 1 1 A 10 10 ARG C C 10 171.942 174.374 -2.432 1
1 56 . 14 1 1 A 10 10 ARG CA C 10 55.800 54.599 1.201 1
1 57 . 14 1 1 A 10 10 ARG CB C 10 32.223 33.502 -1.279 1
1 60 . 14 1 1 A 10 10 ARG N N 10 117.246 118.476 -1.230 1
1 62 . 14 1 1 A 11 11 GLY H H 11 8.390 8.543 -0.153 1
1 63 . 14 1 1 A 11 11 GLY HA2 H 11 3.204 4.028 -0.824 1
1 64 . 14 1 1 A 11 11 GLY HA3 H 11 5.336 4.396 0.940 1
1 65 . 14 1 1 A 11 11 GLY C C 11 172.895 172.692 0.203 1
1 66 . 14 1 1 A 11 11 GLY CA C 11 43.481 45.387 -1.906 1
1 67 . 14 1 1 A 11 11 GLY N N 11 113.527 110.548 2.979 1
1 68 . 14 1 1 A 12 12 GLY H H 12 7.935 8.526 -0.591 1
1 69 . 14 1 1 A 12 12 GLY C C 12 171.502 172.165 -0.663 1
1 70 . 14 1 1 A 12 12 GLY CA C 12 46.093 44.166 1.927 1
1 71 . 14 1 1 A 13 13 TRP H H 13 8.904 8.975 -0.071 1
1 72 . 14 1 1 A 13 13 TRP HA H 13 5.205 5.304 -0.099 1
1 81 . 14 1 1 A 13 13 TRP C C 13 177.926 176.350 1.576 1
1 82 . 14 1 1 A 13 13 TRP CA C 13 57.846 57.637 0.209 1
1 83 . 14 1 1 A 13 13 TRP CB C 13 30.290 30.960 -0.670 1
1 89 . 14 1 1 A 13 13 TRP N N 13 121.758 121.025 0.733 1
1 91 . 14 1 1 A 14 14 LEU H H 14 9.295 8.865 0.430 1
1 92 . 14 1 1 A 14 14 LEU HA H 14 4.683 4.884 -0.201 1
1 102 . 14 1 1 A 14 14 LEU C C 14 175.828 176.126 -0.298 1
1 103 . 14 1 1 A 14 14 LEU CA C 14 54.670 53.654 1.016 1
1 104 . 14 1 1 A 14 14 LEU CB C 14 47.562 45.667 1.895 1
1 108 . 14 1 1 A 14 14 LEU N N 14 123.447 124.112 -0.665 1
1 109 . 14 1 1 A 15 15 TRP H H 15 8.655 8.659 -0.004 1
1 110 . 14 1 1 A 15 15 TRP HA H 15 5.315 5.497 -0.182 1
1 119 . 14 1 1 A 15 15 TRP C C 15 175.899 175.961 -0.062 1
1 120 . 14 1 1 A 15 15 TRP CA C 15 57.159 57.351 -0.192 1
1 121 . 14 1 1 A 15 15 TRP CB C 15 30.759 30.417 0.342 1
1 127 . 14 1 1 A 15 15 TRP N N 15 119.571 124.359 -4.788 1
1 129 . 14 1 1 A 16 16 ARG H H 16 10.145 9.372 0.773 1
1 130 . 14 1 1 A 16 16 ARG HA H 16 5.495 5.379 0.116 1
1 138 . 14 1 1 A 16 16 ARG C C 16 174.930 173.883 1.047 1
1 139 . 14 1 1 A 16 16 ARG CA C 16 54.334 54.184 0.150 1
1 140 . 14 1 1 A 16 16 ARG CB C 16 34.808 33.910 0.898 1
1 143 . 14 1 1 A 16 16 ARG N N 16 121.997 125.683 -3.686 1
1 145 . 14 1 1 A 17 17 GLN H H 17 8.233 8.152 0.081 1
1 146 . 14 1 1 A 17 17 GLN HA H 17 3.797 4.733 -0.936 1
1 153 . 14 1 1 A 17 17 GLN C C 17 175.654 174.853 0.801 1
1 154 . 14 1 1 A 17 17 GLN CA C 17 55.446 53.608 1.838 1
1 155 . 14 1 1 A 17 17 GLN CB C 17 29.056 31.194 -2.138 1
1 157 . 14 1 1 A 17 17 GLN N N 17 128.414 125.353 3.061 1
1 159 . 14 1 1 A 18 18 SER H H 18 8.635 8.017 0.618 1
1 160 . 14 1 1 A 18 18 SER HA H 18 4.575 4.600 -0.025 1
1 163 . 14 1 1 A 18 18 SER C C 18 175.585 174.608 0.977 1
1 164 . 14 1 1 A 18 18 SER CA C 18 57.246 56.054 1.192 1
1 165 . 14 1 1 A 18 18 SER CB C 18 64.012 65.273 -1.261 1
1 166 . 14 1 1 A 18 18 SER N N 18 122.600 120.960 1.640 1
1 167 . 14 1 1 A 20 20 ILE H H 20 7.976 7.511 0.465 1
1 168 . 14 1 1 A 20 20 ILE HA H 20 4.036 4.017 0.019 1
1 178 . 14 1 1 A 20 20 ILE C C 20 176.929 177.485 -0.556 1
1 179 . 14 1 1 A 20 20 ILE CA C 20 62.929 63.303 -0.374 1
1 180 . 14 1 1 A 20 20 ILE CB C 20 37.912 38.933 -1.021 1
1 184 . 14 1 1 A 20 20 ILE N N 20 120.700 120.026 0.674 1
1 185 . 14 1 1 A 21 21 LEU H H 21 8.089 7.748 0.341 1
1 186 . 14 1 1 A 21 21 LEU HA H 21 4.159 4.345 -0.186 1
1 196 . 14 1 1 A 21 21 LEU C C 21 176.455 176.208 0.247 1
1 197 . 14 1 1 A 21 21 LEU CA C 21 55.287 54.825 0.462 1
1 198 . 14 1 1 A 21 21 LEU CB C 21 42.051 42.716 -0.665 1
1 202 . 14 1 1 A 21 21 LEU N N 21 119.540 119.507 0.033 1
1 203 . 14 1 1 A 22 22 ARG H H 22 7.687 7.810 -0.123 1
1 204 . 14 1 1 A 22 22 ARG HA H 22 3.806 3.749 0.057 1
1 211 . 14 1 1 A 22 22 ARG C C 22 175.087 174.184 0.903 1
1 212 . 14 1 1 A 22 22 ARG CA C 22 56.788 57.294 -0.506 1
1 213 . 14 1 1 A 22 22 ARG CB C 22 27.130 26.785 0.345 1
1 216 . 14 1 1 A 22 22 ARG N N 22 114.383 117.192 -2.809 1
1 217 . 14 1 1 A 23 23 ARG H H 23 7.392 7.541 -0.149 1
1 218 . 14 1 1 A 23 23 ARG HA H 23 4.603 4.840 -0.237 1
1 225 . 14 1 1 A 23 23 ARG C C 23 176.112 175.201 0.911 1
1 226 . 14 1 1 A 23 23 ARG CA C 23 54.846 54.236 0.610 1
1 227 . 14 1 1 A 23 23 ARG CB C 23 32.387 32.872 -0.485 1
1 230 . 14 1 1 A 23 23 ARG N N 23 115.846 117.305 -1.459 1
1 231 . 14 1 1 A 24 24 TRP H H 24 9.013 8.696 0.317 1
1 232 . 14 1 1 A 24 24 TRP HA H 24 5.154 5.343 -0.189 1
1 241 . 14 1 1 A 24 24 TRP C C 24 176.347 176.575 -0.228 1
1 242 . 14 1 1 A 24 24 TRP CA C 24 57.546 57.745 -0.199 1
1 243 . 14 1 1 A 24 24 TRP CB C 24 31.112 30.822 0.290 1
1 249 . 14 1 1 A 24 24 TRP N N 24 123.861 121.612 2.249 1
1 251 . 14 1 1 A 25 25 LYS H H 25 9.553 9.341 0.212 1
1 252 . 14 1 1 A 25 25 LYS HA H 25 4.992 5.445 -0.453 1
1 261 . 14 1 1 A 25 25 LYS C C 25 173.887 175.175 -1.288 1
1 262 . 14 1 1 A 25 25 LYS CA C 25 55.023 55.131 -0.108 1
1 263 . 14 1 1 A 25 25 LYS CB C 25 35.965 36.593 -0.628 1
1 267 . 14 1 1 A 25 25 LYS N N 25 123.241 119.154 4.087 1
1 268 . 14 1 1 A 26 26 ARG H H 26 8.705 8.588 0.117 1
1 269 . 14 1 1 A 26 26 ARG HA H 26 4.494 4.750 -0.256 1
1 276 . 14 1 1 A 26 26 ARG C C 26 175.755 175.590 0.165 1
1 277 . 14 1 1 A 26 26 ARG CA C 26 56.046 55.664 0.382 1
1 278 . 14 1 1 A 26 26 ARG CB C 26 30.783 31.289 -0.506 1
1 281 . 14 1 1 A 26 26 ARG N N 26 124.843 120.843 4.000 1
1 282 . 14 1 1 A 27 27 ASN H H 27 9.100 8.540 0.560 1
1 283 . 14 1 1 A 27 27 ASN HA H 27 5.235 5.082 0.153 1
1 288 . 14 1 1 A 27 27 ASN CA C 27 54.041 52.822 1.219 1
1 289 . 14 1 1 A 27 27 ASN CB C 27 46.737 42.918 3.819 1
1 290 . 14 1 1 A 27 27 ASN N N 27 123.044 121.014 2.030 1
1 292 . 14 1 1 A 28 28 TRP H H 28 7.835 8.337 -0.502 1
1 293 . 14 1 1 A 28 28 TRP HA H 28 4.105 4.504 -0.399 1
1 299 . 14 1 1 A 28 28 TRP N N 28 122.540 126.464 -3.924 1
1 300 . 14 1 1 A 29 29 PHE H H 29 8.755 8.612 0.143 1
1 301 . 14 1 1 A 29 29 PHE HA H 29 5.001 4.818 0.183 1
1 309 . 14 1 1 A 29 29 PHE CA C 29 56.692 56.959 -0.267 1
1 310 . 14 1 1 A 29 29 PHE CB C 29 42.284 39.982 2.302 1
1 316 . 14 1 1 A 29 29 PHE N N 29 129.716 126.470 3.246 1
1 317 . 14 1 1 A 30 30 ALA H H 30 8.695 8.292 0.403 1
1 321 . 14 1 1 A 30 30 ALA C C 30 173.958 174.242 -0.284 1
1 322 . 14 1 1 A 30 30 ALA CA C 30 50.611 49.689 0.922 1
1 323 . 14 1 1 A 30 30 ALA CB C 30 22.570 22.256 0.314 1
1 324 . 14 1 1 A 31 31 LEU H H 31 8.815 8.192 0.623 1
1 325 . 14 1 1 A 31 31 LEU HA H 31 5.003 4.911 0.092 1
1 335 . 14 1 1 A 31 31 LEU C C 31 174.414 174.168 0.246 1
1 336 . 14 1 1 A 31 31 LEU CA C 31 53.240 53.074 0.166 1
1 337 . 14 1 1 A 31 31 LEU CB C 31 44.783 45.224 -0.441 1
1 341 . 14 1 1 A 31 31 LEU N N 31 124.610 122.617 1.993 1
1 342 . 14 1 1 A 32 32 TRP H H 32 9.045 8.707 0.338 1
1 343 . 14 1 1 A 32 32 TRP HA H 32 5.499 5.454 0.045 1
1 352 . 14 1 1 A 32 32 TRP C C 32 178.871 177.040 1.831 1
1 353 . 14 1 1 A 32 32 TRP CA C 32 55.552 55.864 -0.312 1
1 354 . 14 1 1 A 32 32 TRP CB C 32 32.346 31.968 0.378 1
1 360 . 14 1 1 A 32 32 TRP N N 32 128.500 126.858 1.642 1
1 362 . 14 1 1 A 33 33 LEU H H 33 9.246 9.132 0.114 1
1 363 . 14 1 1 A 33 33 LEU HA H 33 4.075 4.096 -0.021 1
1 373 . 14 1 1 A 33 33 LEU C C 33 176.859 178.466 -1.607 1
1 374 . 14 1 1 A 33 33 LEU CA C 33 57.035 57.812 -0.777 1
1 375 . 14 1 1 A 33 33 LEU CB C 33 42.651 41.360 1.291 1
1 379 . 14 1 1 A 33 33 LEU N N 33 123.838 126.144 -2.306 1
1 380 . 14 1 1 A 34 34 ASP H H 34 7.536 7.963 -0.427 1
1 381 . 14 1 1 A 34 34 ASP HA H 34 4.395 4.557 -0.162 1
1 384 . 14 1 1 A 34 34 ASP C C 34 177.113 176.590 0.523 1
1 385 . 14 1 1 A 34 34 ASP CA C 34 53.805 54.370 -0.565 1
1 386 . 14 1 1 A 34 34 ASP CB C 34 39.625 41.027 -1.402 1
1 387 . 14 1 1 A 34 34 ASP N N 34 115.948 116.251 -0.303 1
1 388 . 14 1 1 A 35 35 GLY H H 35 8.264 8.928 -0.664 1
1 389 . 14 1 1 A 35 35 GLY HA2 H 35 4.205 4.035 0.170 1
1 390 . 14 1 1 A 35 35 GLY HA3 H 35 3.895 4.057 -0.162 1
1 391 . 14 1 1 A 35 35 GLY C C 35 173.898 173.883 0.015 1
1 392 . 14 1 1 A 35 35 GLY CA C 35 46.216 46.489 -0.273 1
1 393 . 14 1 1 A 35 35 GLY N N 35 106.508 108.551 -2.043 1
1 394 . 14 1 1 A 36 36 THR H H 36 8.035 7.683 0.352 1
1 395 . 14 1 1 A 36 36 THR HA H 36 5.123 5.075 0.048 1
1 400 . 14 1 1 A 36 36 THR C C 36 170.669 173.029 -2.360 1
1 401 . 14 1 1 A 36 36 THR CA C 36 60.588 59.340 1.248 1
1 402 . 14 1 1 A 36 36 THR CB C 36 72.314 72.901 -0.587 1
1 404 . 14 1 1 A 36 36 THR N N 36 112.047 110.129 1.918 1
1 405 . 14 1 1 A 37 37 LEU H H 37 9.344 9.238 0.106 1
1 406 . 14 1 1 A 37 37 LEU HA H 37 5.616 5.062 0.554 1
1 416 . 14 1 1 A 37 37 LEU C C 37 175.787 174.958 0.829 1
1 417 . 14 1 1 A 37 37 LEU CA C 37 52.799 53.809 -1.010 1
1 418 . 14 1 1 A 37 37 LEU CB C 37 46.698 44.661 2.037 1
1 422 . 14 1 1 A 37 37 LEU N N 37 122.915 123.805 -0.890 1
1 423 . 14 1 1 A 38 38 GLY H H 38 9.685 8.599 1.086 1
1 424 . 14 1 1 A 38 38 GLY HA2 H 38 5.074 4.090 0.984 1
1 425 . 14 1 1 A 38 38 GLY HA3 H 38 3.825 4.272 -0.447 1
1 426 . 14 1 1 A 38 38 GLY C C 38 172.258 172.189 0.069 1
1 427 . 14 1 1 A 38 38 GLY CA C 38 43.676 44.020 -0.344 1
1 428 . 14 1 1 A 38 38 GLY N N 38 113.092 113.859 -0.767 1
1 429 . 14 1 1 A 39 39 TYR H H 39 7.362 8.006 -0.644 1
1 430 . 14 1 1 A 39 39 TYR HA H 39 5.251 5.434 -0.183 1
1 437 . 14 1 1 A 39 39 TYR C C 39 175.367 173.839 1.528 1
1 438 . 14 1 1 A 39 39 TYR CA C 39 54.282 54.853 -0.571 1
1 439 . 14 1 1 A 39 39 TYR CB C 39 37.774 40.863 -3.089 1
1 444 . 14 1 1 A 39 39 TYR N N 39 113.951 118.892 -4.941 1
1 445 . 14 1 1 A 40 40 TYR H H 40 9.315 8.618 0.697 1
1 446 . 14 1 1 A 40 40 TYR HA H 40 5.305 4.834 0.471 1
1 453 . 14 1 1 A 40 40 TYR C C 40 177.694 176.238 1.456 1
1 454 . 14 1 1 A 40 40 TYR CA C 40 57.185 56.487 0.698 1
1 455 . 14 1 1 A 40 40 TYR CB C 40 43.779 42.475 1.304 1
1 460 . 14 1 1 A 40 40 TYR N N 40 117.930 119.033 -1.103 1
1 461 . 14 1 1 A 41 41 HIS H H 41 8.658 8.904 -0.246 1
1 462 . 14 1 1 A 41 41 HIS HA H 41 4.654 4.251 0.403 1
1 467 . 14 1 1 A 41 41 HIS C C 41 174.858 174.667 0.191 1
1 468 . 14 1 1 A 41 41 HIS CA C 41 59.159 59.434 -0.275 1
1 469 . 14 1 1 A 41 41 HIS CB C 41 31.094 30.217 0.877 1
1 472 . 14 1 1 A 41 41 HIS N N 41 121.927 122.888 -0.961 1
1 473 . 14 1 1 A 42 42 ASP H H 42 8.095 8.146 -0.051 1
1 474 . 14 1 1 A 42 42 ASP HA H 42 4.795 5.119 -0.324 1
1 477 . 14 1 1 A 42 42 ASP C C 42 175.052 177.051 -1.999 1
1 478 . 14 1 1 A 42 42 ASP CA C 42 53.155 52.085 1.070 1
1 479 . 14 1 1 A 42 42 ASP CB C 42 41.860 43.706 -1.846 1
1 480 . 14 1 1 A 42 42 ASP N N 42 112.020 116.922 -4.902 1
1 481 . 14 1 1 A 43 43 GLU H H 43 8.899 9.041 -0.142 1
1 482 . 14 1 1 A 43 43 GLU C C 43 176.336 176.750 -0.414 1
1 483 . 14 1 1 A 43 43 GLU CA C 43 57.021 58.279 -1.258 1
1 484 . 14 1 1 A 43 43 GLU CB C 43 27.493 28.523 -1.030 1
1 485 . 14 1 1 A 43 43 GLU N N 43 116.402 121.525 -5.123 1
1 486 . 14 1 1 A 44 44 THR H H 44 8.093 7.666 0.427 1
1 487 . 14 1 1 A 44 44 THR HA H 44 3.915 4.339 -0.424 1
1 492 . 14 1 1 A 44 44 THR CA C 44 63.143 61.349 1.794 1
1 493 . 14 1 1 A 44 44 THR CB C 44 69.620 69.033 0.587 1
1 495 . 14 1 1 A 44 44 THR N N 44 111.376 111.557 -0.181 1
1 496 . 14 1 1 A 45 45 ALA H H 45 7.815 8.775 -0.960 1
1 497 . 14 1 1 A 45 45 ALA HA H 45 3.430 4.070 -0.640 1
1 501 . 14 1 1 A 45 45 ALA C C 45 175.091 177.710 -2.619 1
1 502 . 14 1 1 A 45 45 ALA CA C 45 53.434 51.377 2.057 1
1 503 . 14 1 1 A 45 45 ALA CB C 45 15.567 16.956 -1.389 1
1 504 . 14 1 1 A 46 46 GLN H H 46 7.869 8.179 -0.310 1
1 505 . 14 1 1 A 46 46 GLN HA H 46 4.238 4.363 -0.125 1
1 512 . 14 1 1 A 46 46 GLN C C 46 176.190 176.182 0.008 1
1 513 . 14 1 1 A 46 46 GLN CA C 46 56.929 57.459 -0.530 1
1 514 . 14 1 1 A 46 46 GLN CB C 46 30.454 29.819 0.635 1
1 516 . 14 1 1 A 46 46 GLN N N 46 115.953 121.084 -5.131 1
1 518 . 14 1 1 A 47 47 ASP H H 47 8.326 8.197 0.129 1
1 519 . 14 1 1 A 47 47 ASP HA H 47 4.954 4.866 0.088 1
1 522 . 14 1 1 A 47 47 ASP C C 47 173.846 175.072 -1.226 1
1 523 . 14 1 1 A 47 47 ASP CA C 47 52.993 52.856 0.137 1
1 524 . 14 1 1 A 47 47 ASP CB C 47 41.558 40.173 1.385 1
1 525 . 14 1 1 A 47 47 ASP N N 47 119.830 119.514 0.316 1
1 526 . 14 1 1 A 48 48 GLU H H 48 8.756 8.814 -0.058 1
1 527 . 14 1 1 A 48 48 GLU HA H 48 3.785 4.054 -0.269 1
1 532 . 14 1 1 A 48 48 GLU C C 48 175.892 176.823 -0.931 1
1 533 . 14 1 1 A 48 48 GLU CA C 48 56.470 56.538 -0.068 1
1 534 . 14 1 1 A 48 48 GLU CB C 48 32.264 30.400 1.864 1
1 536 . 14 1 1 A 48 48 GLU N N 48 125.923 124.731 1.192 1
1 537 . 14 1 1 A 49 49 GLU H H 49 8.945 7.888 1.057 1
1 538 . 14 1 1 A 49 49 GLU HA H 49 4.164 4.188 -0.024 1
1 543 . 14 1 1 A 49 49 GLU C C 49 176.040 175.771 0.269 1
1 544 . 14 1 1 A 49 49 GLU CA C 49 58.447 58.260 0.187 1
1 545 . 14 1 1 A 49 49 GLU CB C 49 30.207 30.563 -0.356 1
1 547 . 14 1 1 A 49 49 GLU N N 49 129.751 126.401 3.350 1
1 548 . 14 1 1 A 50 50 ASP H H 50 6.736 6.839 -0.103 1
1 549 . 14 1 1 A 50 50 ASP HA H 50 4.355 4.781 -0.426 1
1 552 . 14 1 1 A 50 50 ASP C C 50 172.562 173.434 -0.872 1
1 553 . 14 1 1 A 50 50 ASP CA C 50 52.729 53.220 -0.491 1
1 554 . 14 1 1 A 50 50 ASP CB C 50 43.737 43.915 -0.178 1
1 555 . 14 1 1 A 50 50 ASP N N 50 113.574 114.859 -1.285 1
1 556 . 14 1 1 A 51 51 ARG H H 51 8.532 8.608 -0.076 1
1 557 . 14 1 1 A 51 51 ARG HA H 51 5.005 4.825 0.180 1
1 565 . 14 1 1 A 51 51 ARG C C 51 174.656 174.506 0.150 1
1 566 . 14 1 1 A 51 51 ARG CA C 51 55.605 55.471 0.134 1
1 567 . 14 1 1 A 51 51 ARG CB C 51 33.520 33.947 -0.427 1
1 570 . 14 1 1 A 51 51 ARG N N 51 117.888 123.003 -5.115 1
1 572 . 14 1 1 A 52 52 VAL H H 52 9.155 9.078 0.077 1
1 573 . 14 1 1 A 52 52 VAL HA H 52 4.616 5.000 -0.384 1
1 581 . 14 1 1 A 52 52 VAL C C 52 174.710 174.959 -0.249 1
1 582 . 14 1 1 A 52 52 VAL CA C 52 59.382 59.908 -0.526 1
1 583 . 14 1 1 A 52 52 VAL CB C 52 35.266 34.458 0.808 1
1 586 . 14 1 1 A 52 52 VAL N N 52 121.629 122.085 -0.456 1
1 587 . 14 1 1 A 53 53 VAL H H 53 8.956 8.984 -0.028 1
1 588 . 14 1 1 A 53 53 VAL HA H 53 3.745 4.365 -0.620 1
1 596 . 14 1 1 A 53 53 VAL C C 53 174.610 175.615 -1.005 1
1 597 . 14 1 1 A 53 53 VAL CA C 53 64.676 62.038 2.638 1
1 598 . 14 1 1 A 53 53 VAL CB C 53 32.305 32.942 -0.637 1
1 601 . 14 1 1 A 53 53 VAL N N 53 125.547 122.251 3.296 1
1 602 . 14 1 1 A 54 54 ILE H H 54 8.705 9.018 -0.313 1
1 603 . 14 1 1 A 54 54 ILE HA H 54 4.324 4.291 0.033 1
1 613 . 14 1 1 A 54 54 ILE C C 54 176.747 176.191 0.556 1
1 614 . 14 1 1 A 54 54 ILE CA C 54 58.623 62.836 -4.213 1
1 615 . 14 1 1 A 54 54 ILE CB C 54 36.787 39.513 -2.726 1
1 619 . 14 1 1 A 54 54 ILE N N 54 126.147 126.176 -0.029 1
1 620 . 14 1 1 A 55 55 HIS H H 55 7.913 7.655 0.258 1
1 621 . 14 1 1 A 55 55 HIS HA H 55 4.626 4.340 0.286 1
1 626 . 14 1 1 A 55 55 HIS C C 55 174.365 175.700 -1.335 1
1 627 . 14 1 1 A 55 55 HIS CA C 55 57.917 57.110 0.807 1
1 628 . 14 1 1 A 55 55 HIS CB C 55 29.796 29.653 0.143 1
1 631 . 14 1 1 A 55 55 HIS N N 55 119.790 123.567 -3.777 1
1 632 . 14 1 1 A 56 56 PHE H H 56 9.382 8.541 0.841 1
1 633 . 14 1 1 A 56 56 PHE HA H 56 4.225 4.202 0.023 1
1 641 . 14 1 1 A 56 56 PHE C C 56 175.781 175.158 0.623 1
1 642 . 14 1 1 A 56 56 PHE CA C 56 57.593 58.354 -0.761 1
1 643 . 14 1 1 A 56 56 PHE CB C 56 36.664 36.198 0.466 1
1 649 . 14 1 1 A 56 56 PHE N N 56 124.614 123.269 1.345 1
1 650 . 14 1 1 A 57 57 ASN H H 57 8.755 7.843 0.912 1
1 651 . 14 1 1 A 57 57 ASN HA H 57 5.319 5.033 0.286 1
1 656 . 14 1 1 A 57 57 ASN C C 57 175.317 175.243 0.074 1
1 657 . 14 1 1 A 57 57 ASN CA C 57 52.129 52.767 -0.638 1
1 658 . 14 1 1 A 57 57 ASN CB C 57 41.640 40.791 0.849 1
1 659 . 14 1 1 A 57 57 ASN N N 57 114.893 116.449 -1.556 1
1 661 . 14 1 1 A 58 58 VAL H H 58 8.606 7.221 1.385 1
1 662 . 14 1 1 A 58 58 VAL HA H 58 4.138 4.581 -0.443 1
1 670 . 14 1 1 A 58 58 VAL C C 58 175.486 176.113 -0.627 1
1 671 . 14 1 1 A 58 58 VAL CA C 58 63.035 62.369 0.666 1
1 672 . 14 1 1 A 58 58 VAL CB C 58 32.733 30.743 1.990 1
1 675 . 14 1 1 A 58 58 VAL N N 58 121.476 120.390 1.086 1
1 676 . 14 1 1 A 59 59 ARG H H 59 9.233 8.993 0.240 1
1 677 . 14 1 1 A 59 59 ARG HA H 59 4.184 4.130 0.054 1
1 684 . 14 1 1 A 59 59 ARG C C 59 175.572 175.311 0.261 1
1 685 . 14 1 1 A 59 59 ARG CA C 59 58.093 57.851 0.242 1
1 686 . 14 1 1 A 59 59 ARG CB C 59 31.236 31.051 0.185 1
1 689 . 14 1 1 A 59 59 ARG N N 59 128.965 129.511 -0.546 1
1 690 . 14 1 1 A 60 60 ASP H H 60 7.745 7.630 0.115 1
1 691 . 14 1 1 A 60 60 ASP HA H 60 4.485 4.950 -0.465 1
1 694 . 14 1 1 A 60 60 ASP C C 60 173.047 173.778 -0.731 1
1 695 . 14 1 1 A 60 60 ASP CA C 60 53.911 53.565 0.346 1
1 696 . 14 1 1 A 60 60 ASP CB C 60 42.874 43.734 -0.860 1
1 697 . 14 1 1 A 60 60 ASP N N 60 113.170 117.347 -4.177 1
1 698 . 14 1 1 A 61 61 ILE H H 61 8.398 8.447 -0.049 1
1 699 . 14 1 1 A 61 61 ILE HA H 61 5.055 4.825 0.230 1
1 709 . 14 1 1 A 61 61 ILE C C 61 174.897 174.214 0.683 1
1 710 . 14 1 1 A 61 61 ILE CA C 61 60.511 60.465 0.046 1
1 711 . 14 1 1 A 61 61 ILE CB C 61 41.558 40.833 0.725 1
1 715 . 14 1 1 A 61 61 ILE N N 61 118.375 121.991 -3.616 1
1 716 . 14 1 1 A 62 62 LYS H H 62 8.619 8.497 0.122 1
1 717 . 14 1 1 A 62 62 LYS HA H 62 4.711 5.027 -0.316 1
1 726 . 14 1 1 A 62 62 LYS C C 62 174.636 175.760 -1.124 1
1 727 . 14 1 1 A 62 62 LYS CA C 62 53.947 54.985 -1.038 1
1 728 . 14 1 1 A 62 62 LYS CB C 62 35.677 35.190 0.487 1
1 732 . 14 1 1 A 62 62 LYS N N 62 128.701 126.710 1.991 1
1 733 . 14 1 1 A 63 63 VAL H H 63 8.946 8.732 0.214 1
1 734 . 14 1 1 A 63 63 VAL HA H 63 5.073 4.835 0.238 1
1 742 . 14 1 1 A 63 63 VAL C C 63 177.772 176.146 1.626 1
1 743 . 14 1 1 A 63 63 VAL CA C 63 59.734 60.912 -1.178 1
1 744 . 14 1 1 A 63 63 VAL CB C 63 36.210 34.536 1.674 1
1 747 . 14 1 1 A 63 63 VAL N N 63 120.053 122.364 -2.311 1
1 748 . 14 1 1 A 64 64 GLY H H 64 9.804 9.031 0.773 1
1 749 . 14 1 1 A 64 64 GLY HA2 H 64 4.415 3.928 0.487 1
1 750 . 14 1 1 A 64 64 GLY HA3 H 64 3.906 3.928 -0.022 1
1 751 . 14 1 1 A 64 64 GLY C C 64 176.864 175.041 1.823 1
1 752 . 14 1 1 A 64 64 GLY CA C 64 47.063 46.930 0.133 1
1 753 . 14 1 1 A 64 64 GLY N N 64 118.354 114.747 3.607 1
1 754 . 14 1 1 A 65 65 GLN H H 65 9.045 8.881 0.164 1
1 755 . 14 1 1 A 65 65 GLN HA H 65 3.944 4.085 -0.141 1
1 762 . 14 1 1 A 65 65 GLN C C 65 176.698 178.116 -1.418 1
1 763 . 14 1 1 A 65 65 GLN CA C 65 57.793 58.653 -0.860 1
1 764 . 14 1 1 A 65 65 GLN CB C 65 27.822 28.330 -0.508 1
1 766 . 14 1 1 A 65 65 GLN N N 65 124.600 124.711 -0.111 1
1 768 . 14 1 1 A 66 66 GLU H H 66 7.886 8.097 -0.211 1
1 769 . 14 1 1 A 66 66 GLU HA H 66 4.145 4.020 0.125 1
1 774 . 14 1 1 A 66 66 GLU C C 66 178.049 179.043 -0.994 1
1 775 . 14 1 1 A 66 66 GLU CA C 66 57.564 59.461 -1.897 1
1 776 . 14 1 1 A 66 66 GLU CB C 66 31.236 29.279 1.957 1
1 778 . 14 1 1 A 66 66 GLU N N 66 116.486 119.606 -3.120 1
1 779 . 14 1 1 A 67 67 CYS H H 67 8.015 7.989 0.026 1
1 780 . 14 1 1 A 67 67 CYS HA H 67 4.331 4.112 0.219 1
1 783 . 14 1 1 A 67 67 CYS C C 67 175.278 175.141 0.137 1
1 784 . 14 1 1 A 67 67 CYS CA C 67 58.817 63.067 -4.250 1
1 785 . 14 1 1 A 67 67 CYS CB C 67 26.342 27.806 -1.464 1
1 786 . 14 1 1 A 67 67 CYS N N 67 119.526 119.199 0.327 1
1 787 . 14 1 1 A 68 68 GLN H H 68 7.983 7.664 0.319 1
1 788 . 14 1 1 A 68 68 GLN HA H 68 4.199 4.014 0.185 1
1 795 . 14 1 1 A 68 68 GLN C C 68 175.866 176.656 -0.790 1
1 796 . 14 1 1 A 68 68 GLN CA C 68 56.399 56.839 -0.440 1
1 797 . 14 1 1 A 68 68 GLN CB C 68 29.837 27.864 1.973 1
1 799 . 14 1 1 A 68 68 GLN N N 68 120.826 119.413 1.413 1
1 801 . 14 1 1 A 69 69 ASP H H 69 8.755 8.415 0.340 1
1 802 . 14 1 1 A 69 69 ASP HA H 69 4.395 4.941 -0.546 1
1 805 . 14 1 1 A 69 69 ASP C C 69 174.652 175.934 -1.282 1
1 806 . 14 1 1 A 69 69 ASP CA C 69 54.546 54.172 0.374 1
1 807 . 14 1 1 A 69 69 ASP CB C 69 39.954 43.152 -3.198 1
1 808 . 14 1 1 A 69 69 ASP N N 69 117.691 118.778 -1.087 1
1 809 . 14 1 1 A 70 70 VAL H H 70 7.245 7.555 -0.310 1
1 810 . 14 1 1 A 70 70 VAL HA H 70 4.173 4.108 0.065 1
1 818 . 14 1 1 A 70 70 VAL C C 70 173.502 175.794 -2.292 1
1 819 . 14 1 1 A 70 70 VAL CA C 70 60.502 62.184 -1.682 1
1 820 . 14 1 1 A 70 70 VAL CB C 70 34.397 33.140 1.257 1
1 823 . 14 1 1 A 70 70 VAL N N 70 116.632 121.445 -4.813 1
1 824 . 14 1 1 A 71 71 GLN H H 71 8.513 8.535 -0.022 1
1 825 . 14 1 1 A 71 71 GLN HA H 71 4.758 4.932 -0.174 1
1 832 . 14 1 1 A 71 71 GLN C C 71 173.404 174.136 -0.732 1
1 833 . 14 1 1 A 71 71 GLN CA C 71 52.093 52.545 -0.452 1
1 834 . 14 1 1 A 71 71 GLN CB C 71 29.467 29.258 0.209 1
1 836 . 14 1 1 A 71 71 GLN N N 71 125.361 125.857 -0.496 1
1 838 . 14 1 1 A 72 72 PRO HA H 72 3.955 4.523 -0.568 1
1 845 . 14 1 1 A 72 72 PRO CA C 72 61.219 61.880 -0.661 1
1 846 . 14 1 1 A 72 72 PRO CB C 72 30.548 32.214 -1.666 1
1 849 . 14 1 1 A 73 73 PRO HA H 73 3.584 4.473 -0.889 1
1 856 . 14 1 1 A 73 73 PRO C C 73 175.005 176.058 -1.053 1
1 857 . 14 1 1 A 73 73 PRO CA C 73 61.764 62.028 -0.264 1
1 858 . 14 1 1 A 73 73 PRO CB C 73 30.080 32.301 -2.221 1
1 861 . 14 1 1 A 74 74 GLU H H 74 8.066 8.468 -0.402 1
1 862 . 14 1 1 A 74 74 GLU HA H 74 3.766 3.887 -0.121 1
1 867 . 14 1 1 A 74 74 GLU C C 74 177.415 177.147 0.268 1
1 868 . 14 1 1 A 74 74 GLU CA C 74 58.005 58.004 0.001 1
1 869 . 14 1 1 A 74 74 GLU CB C 74 29.340 29.397 -0.057 1
1 871 . 14 1 1 A 74 74 GLU N N 74 120.425 121.771 -1.346 1
1 872 . 14 1 1 A 75 75 GLY H H 75 8.576 8.911 -0.335 1
1 873 . 14 1 1 A 75 75 GLY HA2 H 75 4.024 3.893 0.131 1
1 874 . 14 1 1 A 75 75 GLY HA3 H 75 3.568 3.926 -0.358 1
1 875 . 14 1 1 A 75 75 GLY C C 75 174.093 174.616 -0.523 1
1 876 . 14 1 1 A 75 75 GLY CA C 75 45.299 45.224 0.075 1
1 877 . 14 1 1 A 75 75 GLY N N 75 112.779 115.052 -2.273 1
1 878 . 14 1 1 A 76 76 ARG H H 76 7.791 7.723 0.068 1
1 879 . 14 1 1 A 76 76 ARG HA H 76 4.444 4.241 0.203 1
1 887 . 14 1 1 A 76 76 ARG C C 76 175.188 174.717 0.471 1
1 888 . 14 1 1 A 76 76 ARG CA C 76 54.617 56.270 -1.653 1
1 889 . 14 1 1 A 76 76 ARG CB C 76 31.030 31.464 -0.434 1
1 892 . 14 1 1 A 76 76 ARG N N 76 121.088 121.396 -0.308 1
1 894 . 14 1 1 A 77 77 SER H H 77 8.235 8.660 -0.425 1
1 895 . 14 1 1 A 77 77 SER HA H 77 4.405 4.804 -0.399 1
1 898 . 14 1 1 A 77 77 SER C C 77 176.069 174.064 2.005 1
1 899 . 14 1 1 A 77 77 SER CA C 77 56.805 57.243 -0.438 1
1 900 . 14 1 1 A 77 77 SER CB C 77 64.136 66.697 -2.561 1
1 901 . 14 1 1 A 77 77 SER N N 77 113.991 116.587 -2.596 1
1 902 . 14 1 1 A 78 78 ARG H H 78 8.745 9.118 -0.373 1
1 903 . 14 1 1 A 78 78 ARG HA H 78 3.774 3.904 -0.130 1
1 909 . 14 1 1 A 78 78 ARG C C 78 176.758 177.547 -0.789 1
1 910 . 14 1 1 A 78 78 ARG CA C 78 58.341 60.113 -1.772 1
1 911 . 14 1 1 A 78 78 ARG CB C 78 30.043 30.280 -0.237 1
1 914 . 14 1 1 A 78 78 ARG N N 78 122.262 124.868 -2.606 1
1 915 . 14 1 1 A 79 79 ASP H H 79 8.106 8.454 -0.348 1
1 916 . 14 1 1 A 79 79 ASP HA H 79 4.175 4.397 -0.222 1
1 919 . 14 1 1 A 79 79 ASP C C 79 175.579 179.232 -3.653 1
1 920 . 14 1 1 A 79 79 ASP CA C 79 57.159 56.779 0.380 1
1 921 . 14 1 1 A 79 79 ASP CB C 79 40.900 40.231 0.669 1
1 922 . 14 1 1 A 79 79 ASP N N 79 115.963 119.429 -3.466 1
1 923 . 14 1 1 A 80 80 GLY H H 80 7.305 8.026 -0.721 1
1 924 . 14 1 1 A 80 80 GLY HA2 H 80 4.047 3.949 0.098 1
1 925 . 14 1 1 A 80 80 GLY HA3 H 80 3.387 3.972 -0.585 1
1 926 . 14 1 1 A 80 80 GLY C C 80 174.263 174.573 -0.310 1
1 927 . 14 1 1 A 80 80 GLY CA C 80 44.276 46.052 -1.776 1
1 928 . 14 1 1 A 80 80 GLY N N 80 101.592 107.527 -5.935 1
1 929 . 14 1 1 A 81 81 LEU H H 81 7.307 7.499 -0.192 1
1 930 . 14 1 1 A 81 81 LEU HA H 81 4.494 4.158 0.336 1
1 940 . 14 1 1 A 81 81 LEU C C 81 176.212 176.185 0.027 1
1 941 . 14 1 1 A 81 81 LEU CA C 81 56.346 55.904 0.442 1
1 942 . 14 1 1 A 81 81 LEU CB C 81 44.025 42.204 1.821 1
1 946 . 14 1 1 A 81 81 LEU N N 81 121.062 121.714 -0.652 1
1 947 . 14 1 1 A 82 82 LEU H H 82 8.286 9.038 -0.752 1
1 948 . 14 1 1 A 82 82 LEU HA H 82 5.260 5.045 0.215 1
1 958 . 14 1 1 A 82 82 LEU C C 82 175.122 174.909 0.213 1
1 959 . 14 1 1 A 82 82 LEU CA C 82 55.334 54.043 1.291 1
1 960 . 14 1 1 A 82 82 LEU CB C 82 46.064 45.686 0.378 1
1 964 . 14 1 1 A 82 82 LEU N N 82 118.524 127.352 -8.828 1
1 965 . 14 1 1 A 83 83 THR H H 83 9.095 8.990 0.105 1
1 966 . 14 1 1 A 83 83 THR HA H 83 5.305 5.368 -0.063 1
1 971 . 14 1 1 A 83 83 THR C C 83 173.754 173.842 -0.088 1
1 972 . 14 1 1 A 83 83 THR CA C 83 61.076 61.523 -0.447 1
1 973 . 14 1 1 A 83 83 THR CB C 83 71.268 71.043 0.225 1
1 975 . 14 1 1 A 83 83 THR N N 83 120.894 123.395 -2.501 1
1 976 . 14 1 1 A 84 84 VAL H H 84 9.175 8.857 0.318 1
1 977 . 14 1 1 A 84 84 VAL HA H 84 4.205 4.900 -0.695 1
1 985 . 14 1 1 A 84 84 VAL C C 84 173.741 174.472 -0.731 1
1 986 . 14 1 1 A 84 84 VAL CA C 84 61.182 60.110 1.072 1
1 987 . 14 1 1 A 84 84 VAL CB C 84 32.921 34.979 -2.058 1
1 990 . 14 1 1 A 84 84 VAL N N 84 127.342 125.783 1.559 1
1 991 . 14 1 1 A 85 85 ASN H H 85 8.597 8.830 -0.233 1
1 992 . 14 1 1 A 85 85 ASN HA H 85 4.960 5.405 -0.445 1
1 997 . 14 1 1 A 85 85 ASN C C 85 174.440 174.060 0.380 1
1 998 . 14 1 1 A 85 85 ASN CA C 85 52.870 52.045 0.825 1
1 999 . 14 1 1 A 85 85 ASN CB C 85 39.214 41.124 -1.910 1
1 1000 . 14 1 1 A 85 85 ASN N N 85 125.999 124.107 1.892 1
1 1002 . 14 1 1 A 86 86 LEU H H 86 8.283 8.854 -0.571 1
1 1003 . 14 1 1 A 86 86 LEU HA H 86 5.176 5.143 0.033 1
1 1013 . 14 1 1 A 86 86 LEU C C 86 178.644 177.510 1.134 1
1 1014 . 14 1 1 A 86 86 LEU CA C 86 53.700 53.470 0.230 1
1 1015 . 14 1 1 A 86 86 LEU CB C 86 42.298 43.274 -0.976 1
1 1019 . 14 1 1 A 86 86 LEU N N 86 125.763 125.405 0.358 1
1 1020 . 14 1 1 A 87 87 ARG H H 87 8.655 9.229 -0.574 1
1 1021 . 14 1 1 A 87 87 ARG HA H 87 3.905 3.919 -0.014 1
1 1028 . 14 1 1 A 87 87 ARG C C 87 177.223 177.922 -0.699 1
1 1029 . 14 1 1 A 87 87 ARG CA C 87 59.717 59.992 -0.275 1
1 1030 . 14 1 1 A 87 87 ARG CB C 87 29.280 30.297 -1.017 1
1 1033 . 14 1 1 A 87 87 ARG N N 87 123.105 122.872 0.233 1
1 1034 . 14 1 1 A 88 88 GLU H H 88 8.525 7.973 0.552 1
1 1035 . 14 1 1 A 88 88 GLU HA H 88 4.515 4.225 0.290 1
1 1040 . 14 1 1 A 88 88 GLU C C 88 175.762 176.999 -1.237 1
1 1041 . 14 1 1 A 88 88 GLU CA C 88 55.852 57.489 -1.637 1
1 1042 . 14 1 1 A 88 88 GLU CB C 88 30.249 29.812 0.437 1
1 1044 . 14 1 1 A 88 88 GLU N N 88 117.722 116.108 1.614 1
1 1045 . 14 1 1 A 89 89 GLY H H 89 8.063 8.033 0.030 1
1 1046 . 14 1 1 A 89 89 GLY HA2 H 89 3.735 4.045 -0.310 1
1 1047 . 14 1 1 A 89 89 GLY HA3 H 89 4.536 4.046 0.490 1
1 1048 . 14 1 1 A 89 89 GLY C C 89 173.864 173.504 0.360 1
1 1049 . 14 1 1 A 89 89 GLY CA C 89 44.222 45.971 -1.749 1
1 1050 . 14 1 1 A 89 89 GLY N N 89 110.616 109.345 1.271 1
1 1051 . 14 1 1 A 90 90 SER H H 90 8.094 7.341 0.753 1
1 1052 . 14 1 1 A 90 90 SER HA H 90 4.484 4.845 -0.361 1
1 1055 . 14 1 1 A 90 90 SER C C 90 172.813 172.818 -0.005 1
1 1056 . 14 1 1 A 90 90 SER CA C 90 58.552 57.694 0.858 1
1 1057 . 14 1 1 A 90 90 SER CB C 90 63.915 65.706 -1.791 1
1 1058 . 14 1 1 A 90 90 SER N N 90 116.620 113.902 2.718 1
1 1059 . 14 1 1 A 91 91 ARG H H 91 8.285 8.474 -0.189 1
1 1060 . 14 1 1 A 91 91 ARG HA H 91 4.725 4.738 -0.013 1
1 1067 . 14 1 1 A 91 91 ARG C C 91 175.511 175.445 0.066 1
1 1068 . 14 1 1 A 91 91 ARG CA C 91 55.870 55.856 0.014 1
1 1069 . 14 1 1 A 91 91 ARG CB C 91 32.058 30.968 1.090 1
1 1072 . 14 1 1 A 91 91 ARG N N 91 121.045 125.219 -4.174 1
1 1073 . 14 1 1 A 92 92 LEU H H 92 8.485 8.983 -0.498 1
1 1074 . 14 1 1 A 92 92 LEU HA H 92 4.555 4.890 -0.335 1
1 1084 . 14 1 1 A 92 92 LEU C C 92 174.815 175.046 -0.231 1
1 1085 . 14 1 1 A 92 92 LEU CA C 92 53.629 52.839 0.790 1
1 1086 . 14 1 1 A 92 92 LEU CB C 92 44.066 43.350 0.716 1
1 1090 . 14 1 1 A 92 92 LEU N N 92 123.633 123.135 0.498 1
1 1091 . 14 1 1 A 93 93 HIS H H 93 8.871 9.169 -0.298 1
1 1092 . 14 1 1 A 93 93 HIS HA H 93 5.135 5.155 -0.020 1
1 1097 . 14 1 1 A 93 93 HIS C C 93 173.251 174.567 -1.316 1
1 1098 . 14 1 1 A 93 93 HIS CA C 93 56.135 55.136 0.999 1
1 1099 . 14 1 1 A 93 93 HIS CB C 93 30.701 30.889 -0.188 1
1 1101 . 14 1 1 A 93 93 HIS N N 93 124.492 123.329 1.163 1
1 1102 . 14 1 1 A 94 94 LEU H H 94 9.105 9.135 -0.030 1
1 1103 . 14 1 1 A 94 94 LEU HA H 94 5.940 5.405 0.535 1
1 1113 . 14 1 1 A 94 94 LEU C C 94 177.396 176.078 1.318 1
1 1114 . 14 1 1 A 94 94 LEU CA C 94 52.552 53.547 -0.995 1
1 1115 . 14 1 1 A 94 94 LEU CB C 94 45.465 46.492 -1.027 1
1 1119 . 14 1 1 A 94 94 LEU N N 94 122.911 124.370 -1.459 1
1 1120 . 14 1 1 A 95 95 CYS H H 95 8.953 8.844 0.109 1
1 1121 . 14 1 1 A 95 95 CYS HA H 95 4.863 5.034 -0.171 1
1 1124 . 14 1 1 A 95 95 CYS C C 95 172.585 173.908 -1.323 1
1 1125 . 14 1 1 A 95 95 CYS CA C 95 59.964 57.519 2.445 1
1 1126 . 14 1 1 A 95 95 CYS CB C 95 29.220 30.637 -1.417 1
1 1127 . 14 1 1 A 95 95 CYS N N 95 118.920 120.168 -1.248 1
1 1128 . 14 1 1 A 96 96 ALA H H 96 9.465 9.066 0.399 1
1 1129 . 14 1 1 A 96 96 ALA HA H 96 5.035 4.738 0.297 1
1 1133 . 14 1 1 A 96 96 ALA C C 96 177.396 179.016 -1.620 1
1 1134 . 14 1 1 A 96 96 ALA CA C 96 50.205 51.522 -1.317 1
1 1135 . 14 1 1 A 96 96 ALA CB C 96 21.571 20.788 0.783 1
1 1136 . 14 1 1 A 96 96 ALA N N 96 132.924 129.307 3.617 1
1 1137 . 14 1 1 A 97 97 GLU H H 97 9.636 8.845 0.791 1
1 1138 . 14 1 1 A 97 97 GLU HA H 97 4.344 4.229 0.115 1
1 1143 . 14 1 1 A 97 97 GLU C C 97 176.882 176.496 0.386 1
1 1144 . 14 1 1 A 97 97 GLU CA C 97 58.040 58.335 -0.295 1
1 1145 . 14 1 1 A 97 97 GLU CB C 97 30.207 29.562 0.645 1
1 1147 . 14 1 1 A 97 97 GLU N N 97 116.636 119.019 -2.383 1
1 1148 . 14 1 1 A 98 98 THR H H 98 7.155 7.765 -0.610 1
1 1149 . 14 1 1 A 98 98 THR HA H 98 4.684 4.592 0.092 1
1 1154 . 14 1 1 A 98 98 THR C C 98 174.259 174.535 -0.276 1
1 1155 . 14 1 1 A 98 98 THR CA C 98 58.323 59.881 -1.558 1
1 1156 . 14 1 1 A 98 98 THR CB C 98 73.529 72.031 1.498 1
1 1158 . 14 1 1 A 98 98 THR N N 98 102.167 109.892 -7.725 1
1 1159 . 14 1 1 A 99 99 ARG H H 99 9.025 8.894 0.131 1
1 1160 . 14 1 1 A 99 99 ARG HA H 99 4.056 4.091 -0.035 1
1 1167 . 14 1 1 A 99 99 ARG C C 99 177.995 178.264 -0.269 1
1 1168 . 14 1 1 A 99 99 ARG CA C 99 59.029 59.078 -0.049 1
1 1169 . 14 1 1 A 99 99 ARG CB C 99 30.208 29.830 0.378 1
1 1172 . 14 1 1 A 99 99 ARG N N 99 122.747 120.494 2.253 1
1 1173 . 14 1 1 A 100 100 ASP H H 100 8.387 8.440 -0.053 1
1 1174 . 14 1 1 A 100 100 ASP HA H 100 4.306 4.284 0.022 1
1 1177 . 14 1 1 A 100 100 ASP C C 100 179.110 178.342 0.768 1
1 1178 . 14 1 1 A 100 100 ASP CA C 100 57.475 57.773 -0.298 1
1 1179 . 14 1 1 A 100 100 ASP CB C 100 40.201 41.986 -1.785 1
1 1180 . 14 1 1 A 100 100 ASP N N 100 116.422 119.922 -3.500 1
1 1181 . 14 1 1 A 101 101 ASP H H 101 8.046 7.704 0.342 1
1 1182 . 14 1 1 A 101 101 ASP HA H 101 4.576 4.382 0.194 1
1 1185 . 14 1 1 A 101 101 ASP C C 101 177.751 178.867 -1.116 1
1 1186 . 14 1 1 A 101 101 ASP CA C 101 57.229 57.179 0.050 1
1 1187 . 14 1 1 A 101 101 ASP CB C 101 42.093 40.413 1.680 1
1 1188 . 14 1 1 A 101 101 ASP N N 101 120.742 119.462 1.280 1
1 1189 . 14 1 1 A 102 102 ALA H H 102 7.674 7.866 -0.192 1
1 1190 . 14 1 1 A 102 102 ALA HA H 102 4.084 4.224 -0.140 1
1 1194 . 14 1 1 A 102 102 ALA C C 102 179.609 179.881 -0.272 1
1 1195 . 14 1 1 A 102 102 ALA CA C 102 56.364 55.199 1.165 1
1 1196 . 14 1 1 A 102 102 ALA CB C 102 17.952 18.593 -0.641 1
1 1197 . 14 1 1 A 102 102 ALA N N 102 122.523 122.082 0.441 1
1 1198 . 14 1 1 A 103 103 ILE H H 103 8.499 8.360 0.139 1
1 1199 . 14 1 1 A 103 103 ILE HA H 103 3.681 3.690 -0.009 1
1 1209 . 14 1 1 A 103 103 ILE C C 103 178.622 178.068 0.554 1
1 1210 . 14 1 1 A 103 103 ILE CA C 103 64.182 65.367 -1.185 1
1 1211 . 14 1 1 A 103 103 ILE CB C 103 37.240 37.453 -0.213 1
1 1215 . 14 1 1 A 103 103 ILE N N 103 117.417 117.857 -0.440 1
1 1216 . 14 1 1 A 104 104 ALA H H 104 8.174 8.212 -0.038 1
1 1217 . 14 1 1 A 104 104 ALA HA H 104 4.095 4.049 0.046 1
1 1221 . 14 1 1 A 104 104 ALA C C 104 181.998 179.192 2.806 1
1 1222 . 14 1 1 A 104 104 ALA CA C 104 55.517 55.065 0.452 1
1 1223 . 14 1 1 A 104 104 ALA CB C 104 17.294 18.243 -0.949 1
1 1224 . 14 1 1 A 104 104 ALA N N 104 124.916 121.806 3.110 1
1 1225 . 14 1 1 A 105 105 TRP H H 105 8.365 7.928 0.437 1
1 1226 . 14 1 1 A 105 105 TRP HA H 105 4.025 4.385 -0.360 1
1 1235 . 14 1 1 A 105 105 TRP C C 105 177.969 178.900 -0.931 1
1 1236 . 14 1 1 A 105 105 TRP CA C 105 62.011 60.045 1.966 1
1 1237 . 14 1 1 A 105 105 TRP CB C 105 29.179 29.020 0.159 1
1 1243 . 14 1 1 A 105 105 TRP N N 105 119.726 118.085 1.641 1
1 1245 . 14 1 1 A 106 106 LYS H H 106 8.746 8.097 0.649 1
1 1246 . 14 1 1 A 106 106 LYS HA H 106 3.805 4.126 -0.321 1
1 1255 . 14 1 1 A 106 106 LYS C C 106 177.626 178.985 -1.359 1
1 1256 . 14 1 1 A 106 106 LYS CA C 106 60.865 59.217 1.648 1
1 1257 . 14 1 1 A 106 106 LYS CB C 106 31.606 32.140 -0.534 1
1 1261 . 14 1 1 A 106 106 LYS N N 106 120.565 120.615 -0.050 1
1 1262 . 14 1 1 A 107 107 THR H H 107 8.714 7.981 0.733 1
1 1263 . 14 1 1 A 107 107 THR HA H 107 3.774 3.878 -0.104 1
1 1268 . 14 1 1 A 107 107 THR C C 107 176.238 176.208 0.030 1
1 1269 . 14 1 1 A 107 107 THR CA C 107 66.688 66.892 -0.204 1
1 1270 . 14 1 1 A 107 107 THR CB C 107 69.065 68.781 0.284 1
1 1272 . 14 1 1 A 107 107 THR N N 107 115.018 118.401 -3.383 1
1 1273 . 14 1 1 A 108 108 ALA H H 108 7.769 7.881 -0.112 1
1 1274 . 14 1 1 A 108 108 ALA HA H 108 4.094 4.023 0.071 1
1 1278 . 14 1 1 A 108 108 ALA C C 108 180.611 179.873 0.738 1
1 1279 . 14 1 1 A 108 108 ALA CA C 108 55.005 54.969 0.036 1
1 1280 . 14 1 1 A 108 108 ALA CB C 108 18.015 18.189 -0.174 1
1 1281 . 14 1 1 A 108 108 ALA N N 108 123.150 123.547 -0.397 1
1 1282 . 14 1 1 A 109 109 LEU H H 109 8.795 8.119 0.676 1
1 1283 . 14 1 1 A 109 109 LEU HA H 109 4.045 4.155 -0.110 1
1 1293 . 14 1 1 A 109 109 LEU C C 109 178.758 179.168 -0.410 1
1 1294 . 14 1 1 A 109 109 LEU CA C 109 58.093 57.847 0.246 1
1 1295 . 14 1 1 A 109 109 LEU CB C 109 42.298 42.233 0.065 1
1 1299 . 14 1 1 A 109 109 LEU N N 109 118.714 120.308 -1.594 1
1 1300 . 14 1 1 A 110 110 MET H H 110 8.582 8.697 -0.115 1
1 1301 . 14 1 1 A 110 110 MET HA H 110 4.404 4.075 0.329 1
1 1309 . 14 1 1 A 110 110 MET C C 110 180.290 178.686 1.604 1
1 1310 . 14 1 1 A 110 110 MET CA C 110 56.876 58.430 -1.554 1
1 1311 . 14 1 1 A 110 110 MET CB C 110 30.002 31.581 -1.579 1
1 1314 . 14 1 1 A 110 110 MET N N 110 117.122 116.135 0.987 1
1 1315 . 14 1 1 A 111 111 GLU H H 111 8.062 7.533 0.529 1
1 1316 . 14 1 1 A 111 111 GLU HA H 111 4.126 4.105 0.021 1
1 1321 . 14 1 1 A 111 111 GLU C C 111 179.237 178.643 0.594 1
1 1322 . 14 1 1 A 111 111 GLU CA C 111 59.435 58.929 0.506 1
1 1323 . 14 1 1 A 111 111 GLU CB C 111 29.015 30.162 -1.147 1
1 1325 . 14 1 1 A 111 111 GLU N N 111 121.532 119.770 1.762 1
1 1326 . 14 1 1 A 112 112 ALA H H 112 7.975 7.736 0.239 1
1 1327 . 14 1 1 A 112 112 ALA HA H 112 4.265 4.091 0.174 1
1 1331 . 14 1 1 A 112 112 ALA C C 112 179.608 179.801 -0.193 1
1 1332 . 14 1 1 A 112 112 ALA CA C 112 54.158 54.936 -0.778 1
1 1333 . 14 1 1 A 112 112 ALA CB C 112 19.530 18.547 0.983 1
1 1334 . 14 1 1 A 112 112 ALA N N 112 121.838 122.617 -0.779 1
1 1335 . 14 1 1 A 113 113 ASN H H 113 8.115 8.184 -0.069 1
1 1336 . 14 1 1 A 113 113 ASN HA H 113 4.822 4.507 0.315 1
1 1341 . 14 1 1 A 113 113 ASN C C 113 176.296 176.042 0.254 1
1 1342 . 14 1 1 A 113 113 ASN CA C 113 56.311 55.978 0.333 1
1 1343 . 14 1 1 A 113 113 ASN CB C 113 40.283 38.672 1.611 1
1 1344 . 14 1 1 A 113 113 ASN N N 113 115.563 118.124 -2.561 1
1 1346 . 14 1 1 A 114 114 SER H H 114 7.365 7.705 -0.340 1
1 1347 . 14 1 1 A 114 114 SER HA H 114 4.545 3.697 0.848 1
1 1350 . 14 1 1 A 114 114 SER C C 114 174.126 172.331 1.795 1
1 1351 . 14 1 1 A 114 114 SER CA C 114 58.464 57.296 1.168 1
1 1352 . 14 1 1 A 114 114 SER CB C 114 64.400 63.398 1.002 1
1 1353 . 14 1 1 A 114 114 SER N N 114 108.652 111.011 -2.359 1
1 1354 . 14 1 1 A 115 115 THR H H 115 7.849 7.385 0.464 1
1 1355 . 14 1 1 A 115 115 THR HA H 115 4.599 4.907 -0.308 1
1 1360 . 14 1 1 A 115 115 THR C C 115 172.337 172.462 -0.125 1
1 1361 . 14 1 1 A 115 115 THR CA C 115 60.817 59.155 1.662 1
1 1362 . 14 1 1 A 115 115 THR CB C 115 70.016 71.607 -1.591 1
1 1364 . 14 1 1 A 115 115 THR N N 115 118.885 115.748 3.137 1
1 1365 . 14 1 1 A 116 116 PRO HA H 116 4.404 4.859 -0.455 1
1 1372 . 14 1 1 A 116 116 PRO CA C 116 63.007 62.447 0.560 1
1 1373 . 14 1 1 A 116 116 PRO CB C 116 32.346 33.366 -1.020 1
1 1376 . 14 1 1 A 117 117 ALA H H 117 8.429 8.554 -0.125 1
1 1377 . 14 1 1 A 117 117 ALA HA H 117 4.535 4.761 -0.226 1
1 1381 . 14 1 1 A 117 117 ALA CA C 117 50.359 49.433 0.926 1
1 1382 . 14 1 1 A 117 117 ALA CB C 117 18.069 19.768 -1.699 1
1 1383 . 14 1 1 A 117 117 ALA N N 117 125.693 123.732 1.961 1
1 1384 . 14 1 1 A 118 118 PRO HA H 118 4.377 4.538 -0.161 1
1 1391 . 14 1 1 A 118 118 PRO C C 118 176.656 176.701 -0.045 1
1 1392 . 14 1 1 A 118 118 PRO CA C 118 63.105 64.439 -1.334 1
1 1393 . 14 1 1 A 118 118 PRO CB C 118 31.935 31.964 -0.029 1
1 1396 . 14 1 1 A 119 119 ALA H H 119 8.430 8.018 0.412 1
1 1397 . 14 1 1 A 119 119 ALA HA H 119 4.255 4.262 -0.007 1
1 1401 . 14 1 1 A 119 119 ALA C C 119 178.416 177.265 1.151 1
1 1402 . 14 1 1 A 119 119 ALA CA C 119 52.744 52.860 -0.116 1
1 1403 . 14 1 1 A 119 119 ALA CB C 119 19.186 19.364 -0.178 1
1 1404 . 14 1 1 A 119 119 ALA N N 119 124.565 122.512 2.053 1
1 1405 . 14 1 1 A 120 120 GLY H H 120 8.375 8.496 -0.121 1
1 1406 . 14 1 1 A 120 120 GLY HA2 H 120 3.934 4.012 -0.078 1
1 1407 . 14 1 1 A 120 120 GLY HA3 H 120 3.934 4.014 -0.080 1
1 1408 . 14 1 1 A 120 120 GLY C C 120 173.810 174.157 -0.347 1
1 1409 . 14 1 1 A 120 120 GLY CA C 120 45.176 46.218 -1.042 1
1 1410 . 14 1 1 A 120 120 GLY N N 120 108.353 111.369 -3.016 1
1 1411 . 14 1 1 A 121 121 ALA H H 121 8.116 7.988 0.128 1
1 1412 . 14 1 1 A 121 121 ALA HA H 121 4.379 4.482 -0.103 1
1 1416 . 14 1 1 A 121 121 ALA C C 121 177.908 176.406 1.502 1
1 1417 . 14 1 1 A 121 121 ALA CA C 121 52.446 51.815 0.631 1
1 1418 . 14 1 1 A 121 121 ALA CB C 121 19.433 19.682 -0.249 1
1 1419 . 14 1 1 A 121 121 ALA N N 121 123.561 122.203 1.358 1
1 1420 . 14 1 1 A 122 122 THR H H 122 8.212 8.605 -0.393 1
1 1421 . 14 1 1 A 122 122 THR C C 122 174.317 173.183 1.134 1
1 1422 . 14 1 1 A 122 122 THR CA C 122 61.888 60.050 1.838 1
1 1423 . 14 1 1 A 122 122 THR CB C 122 69.648 72.108 -2.460 1
1 1425 . 14 1 1 A 122 122 THR N N 122 114.319 114.541 -0.222 1
1 1426 . 14 1 1 A 123 123 VAL H H 123 8.222 8.482 -0.260 1
1 1427 . 14 1 1 A 123 123 VAL HA H 123 4.455 4.289 0.166 1
1 1435 . 14 1 1 A 123 123 VAL C C 123 174.373 175.259 -0.886 1
1 1436 . 14 1 1 A 123 123 VAL CA C 123 59.717 61.075 -1.358 1
1 1437 . 14 1 1 A 123 123 VAL CB C 123 32.593 31.535 1.058 1
1 1440 . 14 1 1 A 123 123 VAL N N 123 124.311 124.795 -0.484 1
1 1441 . 14 1 1 A 124 124 PRO HA H 124 4.403 4.582 -0.179 1
1 1446 . 14 1 1 A 124 124 PRO C C 124 176.873 176.883 -0.010 1
1 1447 . 14 1 1 A 124 124 PRO CA C 124 63.211 62.611 0.600 1
1 1448 . 14 1 1 A 124 124 PRO CB C 124 32.017 32.997 -0.980 1
1 1451 . 14 1 1 A 125 125 SER H H 125 8.426 8.817 -0.391 1
1 1452 . 14 1 1 A 125 125 SER HA H 125 4.448 4.524 -0.076 1
1 1455 . 14 1 1 A 125 125 SER C C 125 174.598 174.420 0.178 1
1 1456 . 14 1 1 A 125 125 SER CA C 125 58.341 59.924 -1.583 1
1 1457 . 14 1 1 A 125 125 SER CB C 125 64.054 63.647 0.407 1
1 1458 . 14 1 1 A 125 125 SER N N 125 116.463 116.012 0.451 1
1 1459 . 14 1 1 A 126 126 GLY H H 126 8.233 7.318 0.915 1
1 1460 . 14 1 1 A 126 126 GLY C C 126 171.756 174.082 -2.326 1
1 1461 . 14 1 1 A 126 126 GLY CA C 126 44.611 45.338 -0.727 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.445 4.425 0.020 1
1 4 . 15 1 1 A 6 6 SER C C 6 174.707 175.129 -0.422 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.482 59.527 -1.045 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.848 63.005 0.843 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.494 8.650 -0.156 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 4.105 4.097 0.008 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 4.105 4.099 0.006 1
1 10 . 15 1 1 A 7 7 GLY C C 7 172.961 174.478 -1.517 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.864 45.502 0.362 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.325 114.834 -4.509 1
1 13 . 15 1 1 A 8 8 LEU H H 8 8.295 7.912 0.383 1
1 14 . 15 1 1 A 8 8 LEU HA H 8 4.268 5.033 -0.765 1
1 24 . 15 1 1 A 8 8 LEU C C 8 176.773 175.716 1.057 1
1 25 . 15 1 1 A 8 8 LEU CA C 8 55.587 53.784 1.803 1
1 26 . 15 1 1 A 8 8 LEU CB C 8 43.367 44.293 -0.926 1
1 30 . 15 1 1 A 8 8 LEU N N 8 123.800 122.760 1.040 1
1 31 . 15 1 1 A 9 9 VAL H H 9 9.290 8.849 0.441 1
1 32 . 15 1 1 A 9 9 VAL HA H 9 3.826 4.014 -0.188 1
1 40 . 15 1 1 A 9 9 VAL C C 9 176.540 175.739 0.801 1
1 41 . 15 1 1 A 9 9 VAL CA C 9 64.888 63.942 0.946 1
1 42 . 15 1 1 A 9 9 VAL CB C 9 32.264 32.327 -0.063 1
1 45 . 15 1 1 A 9 9 VAL N N 9 129.415 126.062 3.353 1
1 46 . 15 1 1 A 10 10 ARG H H 10 7.135 7.375 -0.240 1
1 47 . 15 1 1 A 10 10 ARG HA H 10 4.126 4.638 -0.512 1
1 55 . 15 1 1 A 10 10 ARG C C 10 171.942 174.403 -2.461 1
1 56 . 15 1 1 A 10 10 ARG CA C 10 55.800 55.584 0.216 1
1 57 . 15 1 1 A 10 10 ARG CB C 10 32.223 33.619 -1.396 1
1 60 . 15 1 1 A 10 10 ARG N N 10 117.246 117.243 0.003 1
1 62 . 15 1 1 A 11 11 GLY H H 11 8.390 8.258 0.132 1
1 63 . 15 1 1 A 11 11 GLY HA2 H 11 3.204 4.064 -0.860 1
1 64 . 15 1 1 A 11 11 GLY HA3 H 11 5.336 4.134 1.202 1
1 65 . 15 1 1 A 11 11 GLY C C 11 172.895 171.919 0.976 1
1 66 . 15 1 1 A 11 11 GLY CA C 11 43.481 44.940 -1.459 1
1 67 . 15 1 1 A 11 11 GLY N N 11 113.527 110.350 3.177 1
1 68 . 15 1 1 A 12 12 GLY H H 12 7.935 6.256 1.679 1
1 69 . 15 1 1 A 12 12 GLY C C 12 171.502 172.301 -0.799 1
1 70 . 15 1 1 A 12 12 GLY CA C 12 46.093 44.851 1.242 1
1 71 . 15 1 1 A 13 13 TRP H H 13 8.904 8.639 0.265 1
1 72 . 15 1 1 A 13 13 TRP HA H 13 5.205 4.935 0.270 1
1 81 . 15 1 1 A 13 13 TRP C C 13 177.926 176.491 1.435 1
1 82 . 15 1 1 A 13 13 TRP CA C 13 57.846 58.342 -0.496 1
1 83 . 15 1 1 A 13 13 TRP CB C 13 30.290 30.608 -0.318 1
1 89 . 15 1 1 A 13 13 TRP N N 13 121.758 121.649 0.109 1
1 91 . 15 1 1 A 14 14 LEU H H 14 9.295 8.698 0.597 1
1 92 . 15 1 1 A 14 14 LEU HA H 14 4.683 4.829 -0.146 1
1 102 . 15 1 1 A 14 14 LEU C C 14 175.828 175.896 -0.068 1
1 103 . 15 1 1 A 14 14 LEU CA C 14 54.670 53.430 1.240 1
1 104 . 15 1 1 A 14 14 LEU CB C 14 47.562 45.440 2.122 1
1 108 . 15 1 1 A 14 14 LEU N N 14 123.447 124.209 -0.762 1
1 109 . 15 1 1 A 15 15 TRP H H 15 8.655 8.806 -0.151 1
1 110 . 15 1 1 A 15 15 TRP HA H 15 5.315 5.085 0.230 1
1 119 . 15 1 1 A 15 15 TRP C C 15 175.899 175.844 0.055 1
1 120 . 15 1 1 A 15 15 TRP CA C 15 57.159 57.558 -0.399 1
1 121 . 15 1 1 A 15 15 TRP CB C 15 30.759 29.628 1.131 1
1 127 . 15 1 1 A 15 15 TRP N N 15 119.571 124.712 -5.141 1
1 129 . 15 1 1 A 16 16 ARG H H 16 10.145 9.248 0.897 1
1 130 . 15 1 1 A 16 16 ARG HA H 16 5.495 5.366 0.129 1
1 138 . 15 1 1 A 16 16 ARG C C 16 174.930 175.787 -0.857 1
1 139 . 15 1 1 A 16 16 ARG CA C 16 54.334 54.495 -0.161 1
1 140 . 15 1 1 A 16 16 ARG CB C 16 34.808 33.383 1.425 1
1 143 . 15 1 1 A 16 16 ARG N N 16 121.997 126.266 -4.269 1
1 145 . 15 1 1 A 17 17 GLN H H 17 8.233 8.506 -0.273 1
1 146 . 15 1 1 A 17 17 GLN HA H 17 3.797 4.137 -0.340 1
1 153 . 15 1 1 A 17 17 GLN C C 17 175.654 176.052 -0.398 1
1 154 . 15 1 1 A 17 17 GLN CA C 17 55.446 54.870 0.576 1
1 155 . 15 1 1 A 17 17 GLN CB C 17 29.056 29.189 -0.133 1
1 157 . 15 1 1 A 17 17 GLN N N 17 128.414 127.845 0.569 1
1 159 . 15 1 1 A 18 18 SER H H 18 8.635 8.782 -0.147 1
1 160 . 15 1 1 A 18 18 SER HA H 18 4.575 4.390 0.185 1
1 163 . 15 1 1 A 18 18 SER C C 18 175.585 175.503 0.082 1
1 164 . 15 1 1 A 18 18 SER CA C 18 57.246 58.652 -1.406 1
1 165 . 15 1 1 A 18 18 SER CB C 18 64.012 64.125 -0.113 1
1 166 . 15 1 1 A 18 18 SER N N 18 122.600 121.856 0.744 1
1 167 . 15 1 1 A 20 20 ILE H H 20 7.976 7.599 0.377 1
1 168 . 15 1 1 A 20 20 ILE HA H 20 4.036 4.292 -0.256 1
1 178 . 15 1 1 A 20 20 ILE C C 20 176.929 177.774 -0.845 1
1 179 . 15 1 1 A 20 20 ILE CA C 20 62.929 61.319 1.610 1
1 180 . 15 1 1 A 20 20 ILE CB C 20 37.912 39.400 -1.488 1
1 184 . 15 1 1 A 20 20 ILE N N 20 120.700 117.449 3.251 1
1 185 . 15 1 1 A 21 21 LEU H H 21 8.089 7.727 0.362 1
1 186 . 15 1 1 A 21 21 LEU HA H 21 4.159 4.203 -0.044 1
1 196 . 15 1 1 A 21 21 LEU C C 21 176.455 176.198 0.257 1
1 197 . 15 1 1 A 21 21 LEU CA C 21 55.287 55.276 0.011 1
1 198 . 15 1 1 A 21 21 LEU CB C 21 42.051 42.065 -0.014 1
1 202 . 15 1 1 A 21 21 LEU N N 21 119.540 121.128 -1.588 1
1 203 . 15 1 1 A 22 22 ARG H H 22 7.687 7.690 -0.003 1
1 204 . 15 1 1 A 22 22 ARG HA H 22 3.806 3.642 0.164 1
1 211 . 15 1 1 A 22 22 ARG C C 22 175.087 174.154 0.933 1
1 212 . 15 1 1 A 22 22 ARG CA C 22 56.788 57.206 -0.418 1
1 213 . 15 1 1 A 22 22 ARG CB C 22 27.130 26.784 0.346 1
1 216 . 15 1 1 A 22 22 ARG N N 22 114.383 116.327 -1.944 1
1 217 . 15 1 1 A 23 23 ARG H H 23 7.392 7.275 0.117 1
1 218 . 15 1 1 A 23 23 ARG HA H 23 4.603 4.741 -0.138 1
1 225 . 15 1 1 A 23 23 ARG C C 23 176.112 175.437 0.675 1
1 226 . 15 1 1 A 23 23 ARG CA C 23 54.846 54.669 0.177 1
1 227 . 15 1 1 A 23 23 ARG CB C 23 32.387 32.420 -0.033 1
1 230 . 15 1 1 A 23 23 ARG N N 23 115.846 117.226 -1.380 1
1 231 . 15 1 1 A 24 24 TRP H H 24 9.013 8.621 0.392 1
1 232 . 15 1 1 A 24 24 TRP HA H 24 5.154 5.407 -0.253 1
1 241 . 15 1 1 A 24 24 TRP C C 24 176.347 176.537 -0.190 1
1 242 . 15 1 1 A 24 24 TRP CA C 24 57.546 57.733 -0.187 1
1 243 . 15 1 1 A 24 24 TRP CB C 24 31.112 30.982 0.130 1
1 249 . 15 1 1 A 24 24 TRP N N 24 123.861 122.994 0.867 1
1 251 . 15 1 1 A 25 25 LYS H H 25 9.553 9.679 -0.126 1
1 252 . 15 1 1 A 25 25 LYS HA H 25 4.992 5.379 -0.387 1
1 261 . 15 1 1 A 25 25 LYS C C 25 173.887 175.100 -1.213 1
1 262 . 15 1 1 A 25 25 LYS CA C 25 55.023 55.043 -0.020 1
1 263 . 15 1 1 A 25 25 LYS CB C 25 35.965 36.434 -0.469 1
1 267 . 15 1 1 A 25 25 LYS N N 25 123.241 119.154 4.087 1
1 268 . 15 1 1 A 26 26 ARG H H 26 8.705 8.616 0.089 1
1 269 . 15 1 1 A 26 26 ARG HA H 26 4.494 4.373 0.121 1
1 276 . 15 1 1 A 26 26 ARG C C 26 175.755 175.500 0.255 1
1 277 . 15 1 1 A 26 26 ARG CA C 26 56.046 56.199 -0.153 1
1 278 . 15 1 1 A 26 26 ARG CB C 26 30.783 30.595 0.188 1
1 281 . 15 1 1 A 26 26 ARG N N 26 124.843 122.645 2.198 1
1 282 . 15 1 1 A 27 27 ASN H H 27 9.100 8.487 0.613 1
1 283 . 15 1 1 A 27 27 ASN HA H 27 5.235 5.315 -0.080 1
1 288 . 15 1 1 A 27 27 ASN CA C 27 54.041 52.667 1.374 1
1 289 . 15 1 1 A 27 27 ASN CB C 27 46.737 42.443 4.294 1
1 290 . 15 1 1 A 27 27 ASN N N 27 123.044 121.823 1.221 1
1 292 . 15 1 1 A 28 28 TRP H H 28 7.835 8.614 -0.779 1
1 293 . 15 1 1 A 28 28 TRP HA H 28 4.105 4.553 -0.448 1
1 299 . 15 1 1 A 28 28 TRP N N 28 122.540 128.142 -5.602 1
1 300 . 15 1 1 A 29 29 PHE H H 29 8.755 8.481 0.274 1
1 301 . 15 1 1 A 29 29 PHE HA H 29 5.001 5.175 -0.174 1
1 309 . 15 1 1 A 29 29 PHE CA C 29 56.692 55.848 0.844 1
1 310 . 15 1 1 A 29 29 PHE CB C 29 42.284 42.021 0.263 1
1 316 . 15 1 1 A 29 29 PHE N N 29 129.716 125.565 4.151 1
1 317 . 15 1 1 A 30 30 ALA H H 30 8.695 8.565 0.130 1
1 321 . 15 1 1 A 30 30 ALA C C 30 173.958 174.678 -0.720 1
1 322 . 15 1 1 A 30 30 ALA CA C 30 50.611 50.895 -0.284 1
1 323 . 15 1 1 A 30 30 ALA CB C 30 22.570 22.302 0.268 1
1 324 . 15 1 1 A 31 31 LEU H H 31 8.815 8.134 0.681 1
1 325 . 15 1 1 A 31 31 LEU HA H 31 5.003 4.682 0.321 1
1 335 . 15 1 1 A 31 31 LEU C C 31 174.414 174.239 0.175 1
1 336 . 15 1 1 A 31 31 LEU CA C 31 53.240 53.735 -0.495 1
1 337 . 15 1 1 A 31 31 LEU CB C 31 44.783 44.664 0.119 1
1 341 . 15 1 1 A 31 31 LEU N N 31 124.610 124.443 0.167 1
1 342 . 15 1 1 A 32 32 TRP H H 32 9.045 8.596 0.449 1
1 343 . 15 1 1 A 32 32 TRP HA H 32 5.499 5.275 0.224 1
1 352 . 15 1 1 A 32 32 TRP C C 32 178.871 177.043 1.828 1
1 353 . 15 1 1 A 32 32 TRP CA C 32 55.552 55.609 -0.057 1
1 354 . 15 1 1 A 32 32 TRP CB C 32 32.346 32.224 0.122 1
1 360 . 15 1 1 A 32 32 TRP N N 32 128.500 127.051 1.449 1
1 362 . 15 1 1 A 33 33 LEU H H 33 9.246 9.240 0.006 1
1 363 . 15 1 1 A 33 33 LEU HA H 33 4.075 4.136 -0.061 1
1 373 . 15 1 1 A 33 33 LEU C C 33 176.859 178.493 -1.634 1
1 374 . 15 1 1 A 33 33 LEU CA C 33 57.035 57.681 -0.646 1
1 375 . 15 1 1 A 33 33 LEU CB C 33 42.651 41.587 1.064 1
1 379 . 15 1 1 A 33 33 LEU N N 33 123.838 125.932 -2.094 1
1 380 . 15 1 1 A 34 34 ASP H H 34 7.536 7.989 -0.453 1
1 381 . 15 1 1 A 34 34 ASP HA H 34 4.395 4.578 -0.183 1
1 384 . 15 1 1 A 34 34 ASP C C 34 177.113 176.634 0.479 1
1 385 . 15 1 1 A 34 34 ASP CA C 34 53.805 54.417 -0.612 1
1 386 . 15 1 1 A 34 34 ASP CB C 34 39.625 40.921 -1.296 1
1 387 . 15 1 1 A 34 34 ASP N N 34 115.948 116.987 -1.039 1
1 388 . 15 1 1 A 35 35 GLY H H 35 8.264 8.948 -0.684 1
1 389 . 15 1 1 A 35 35 GLY HA2 H 35 4.205 4.054 0.151 1
1 390 . 15 1 1 A 35 35 GLY HA3 H 35 3.895 4.070 -0.175 1
1 391 . 15 1 1 A 35 35 GLY C C 35 173.898 173.962 -0.064 1
1 392 . 15 1 1 A 35 35 GLY CA C 35 46.216 45.926 0.290 1
1 393 . 15 1 1 A 35 35 GLY N N 35 106.508 107.508 -1.000 1
1 394 . 15 1 1 A 36 36 THR H H 36 8.035 7.274 0.761 1
1 395 . 15 1 1 A 36 36 THR HA H 36 5.123 5.110 0.013 1
1 400 . 15 1 1 A 36 36 THR C C 36 170.669 173.099 -2.430 1
1 401 . 15 1 1 A 36 36 THR CA C 36 60.588 59.545 1.043 1
1 402 . 15 1 1 A 36 36 THR CB C 36 72.314 72.729 -0.415 1
1 404 . 15 1 1 A 36 36 THR N N 36 112.047 110.241 1.806 1
1 405 . 15 1 1 A 37 37 LEU H H 37 9.344 9.146 0.198 1
1 406 . 15 1 1 A 37 37 LEU HA H 37 5.616 4.964 0.652 1
1 416 . 15 1 1 A 37 37 LEU C C 37 175.787 174.800 0.987 1
1 417 . 15 1 1 A 37 37 LEU CA C 37 52.799 54.105 -1.306 1
1 418 . 15 1 1 A 37 37 LEU CB C 37 46.698 45.184 1.514 1
1 422 . 15 1 1 A 37 37 LEU N N 37 122.915 123.294 -0.379 1
1 423 . 15 1 1 A 38 38 GLY H H 38 9.685 8.756 0.929 1
1 424 . 15 1 1 A 38 38 GLY HA2 H 38 5.074 4.114 0.960 1
1 425 . 15 1 1 A 38 38 GLY HA3 H 38 3.825 4.347 -0.522 1
1 426 . 15 1 1 A 38 38 GLY C C 38 172.258 172.282 -0.024 1
1 427 . 15 1 1 A 38 38 GLY CA C 38 43.676 44.207 -0.531 1
1 428 . 15 1 1 A 38 38 GLY N N 38 113.092 114.244 -1.152 1
1 429 . 15 1 1 A 39 39 TYR H H 39 7.362 7.743 -0.381 1
1 430 . 15 1 1 A 39 39 TYR HA H 39 5.251 5.594 -0.343 1
1 437 . 15 1 1 A 39 39 TYR C C 39 175.367 173.880 1.487 1
1 438 . 15 1 1 A 39 39 TYR CA C 39 54.282 55.095 -0.813 1
1 439 . 15 1 1 A 39 39 TYR CB C 39 37.774 40.501 -2.727 1
1 444 . 15 1 1 A 39 39 TYR N N 39 113.951 118.959 -5.008 1
1 445 . 15 1 1 A 40 40 TYR H H 40 9.315 9.497 -0.182 1
1 446 . 15 1 1 A 40 40 TYR HA H 40 5.305 5.011 0.294 1
1 453 . 15 1 1 A 40 40 TYR C C 40 177.694 176.403 1.291 1
1 454 . 15 1 1 A 40 40 TYR CA C 40 57.185 56.867 0.318 1
1 455 . 15 1 1 A 40 40 TYR CB C 40 43.779 41.328 2.451 1
1 460 . 15 1 1 A 40 40 TYR N N 40 117.930 121.388 -3.458 1
1 461 . 15 1 1 A 41 41 HIS H H 41 8.658 9.290 -0.632 1
1 462 . 15 1 1 A 41 41 HIS HA H 41 4.654 4.238 0.416 1
1 467 . 15 1 1 A 41 41 HIS C C 41 174.858 174.645 0.213 1
1 468 . 15 1 1 A 41 41 HIS CA C 41 59.159 60.578 -1.419 1
1 469 . 15 1 1 A 41 41 HIS CB C 41 31.094 30.299 0.795 1
1 472 . 15 1 1 A 41 41 HIS N N 41 121.927 122.655 -0.728 1
1 473 . 15 1 1 A 42 42 ASP H H 42 8.095 7.707 0.388 1
1 474 . 15 1 1 A 42 42 ASP HA H 42 4.795 4.475 0.320 1
1 477 . 15 1 1 A 42 42 ASP C C 42 175.052 176.000 -0.948 1
1 478 . 15 1 1 A 42 42 ASP CA C 42 53.155 52.773 0.382 1
1 479 . 15 1 1 A 42 42 ASP CB C 42 41.860 41.383 0.477 1
1 480 . 15 1 1 A 42 42 ASP N N 42 112.020 117.081 -5.061 1
1 481 . 15 1 1 A 43 43 GLU H H 43 8.899 8.840 0.059 1
1 482 . 15 1 1 A 43 43 GLU C C 43 176.336 175.650 0.686 1
1 483 . 15 1 1 A 43 43 GLU CA C 43 57.021 59.111 -2.090 1
1 484 . 15 1 1 A 43 43 GLU CB C 43 27.493 29.817 -2.324 1
1 485 . 15 1 1 A 43 43 GLU N N 43 116.402 120.579 -4.177 1
1 486 . 15 1 1 A 44 44 THR H H 44 8.093 7.422 0.671 1
1 487 . 15 1 1 A 44 44 THR HA H 44 3.915 4.267 -0.352 1
1 492 . 15 1 1 A 44 44 THR CA C 44 63.143 59.873 3.270 1
1 493 . 15 1 1 A 44 44 THR CB C 44 69.620 71.323 -1.703 1
1 495 . 15 1 1 A 44 44 THR N N 44 111.376 109.052 2.324 1
1 496 . 15 1 1 A 45 45 ALA H H 45 7.815 8.228 -0.413 1
1 497 . 15 1 1 A 45 45 ALA HA H 45 3.430 3.298 0.132 1
1 501 . 15 1 1 A 45 45 ALA C C 45 175.091 176.736 -1.645 1
1 502 . 15 1 1 A 45 45 ALA CA C 45 53.434 50.426 3.008 1
1 503 . 15 1 1 A 45 45 ALA CB C 45 15.567 17.175 -1.608 1
1 504 . 15 1 1 A 46 46 GLN H H 46 7.869 8.137 -0.268 1
1 505 . 15 1 1 A 46 46 GLN HA H 46 4.238 4.654 -0.416 1
1 512 . 15 1 1 A 46 46 GLN C C 46 176.190 175.755 0.435 1
1 513 . 15 1 1 A 46 46 GLN CA C 46 56.929 56.807 0.122 1
1 514 . 15 1 1 A 46 46 GLN CB C 46 30.454 31.358 -0.904 1
1 516 . 15 1 1 A 46 46 GLN N N 46 115.953 122.869 -6.916 1
1 518 . 15 1 1 A 47 47 ASP H H 47 8.326 8.218 0.108 1
1 519 . 15 1 1 A 47 47 ASP HA H 47 4.954 4.760 0.194 1
1 522 . 15 1 1 A 47 47 ASP C C 47 173.846 175.365 -1.519 1
1 523 . 15 1 1 A 47 47 ASP CA C 47 52.993 53.737 -0.744 1
1 524 . 15 1 1 A 47 47 ASP CB C 47 41.558 39.871 1.687 1
1 525 . 15 1 1 A 47 47 ASP N N 47 119.830 115.966 3.864 1
1 526 . 15 1 1 A 48 48 GLU H H 48 8.756 8.444 0.312 1
1 527 . 15 1 1 A 48 48 GLU HA H 48 3.785 3.695 0.090 1
1 532 . 15 1 1 A 48 48 GLU C C 48 175.892 175.973 -0.081 1
1 533 . 15 1 1 A 48 48 GLU CA C 48 56.470 56.684 -0.214 1
1 534 . 15 1 1 A 48 48 GLU CB C 48 32.264 30.290 1.974 1
1 536 . 15 1 1 A 48 48 GLU N N 48 125.923 124.597 1.326 1
1 537 . 15 1 1 A 49 49 GLU H H 49 8.945 8.447 0.498 1
1 538 . 15 1 1 A 49 49 GLU HA H 49 4.164 4.427 -0.263 1
1 543 . 15 1 1 A 49 49 GLU C C 49 176.040 175.765 0.275 1
1 544 . 15 1 1 A 49 49 GLU CA C 49 58.447 57.984 0.463 1
1 545 . 15 1 1 A 49 49 GLU CB C 49 30.207 31.266 -1.059 1
1 547 . 15 1 1 A 49 49 GLU N N 49 129.751 124.993 4.758 1
1 548 . 15 1 1 A 50 50 ASP H H 50 6.736 6.922 -0.186 1
1 549 . 15 1 1 A 50 50 ASP HA H 50 4.355 4.782 -0.427 1
1 552 . 15 1 1 A 50 50 ASP C C 50 172.562 173.399 -0.837 1
1 553 . 15 1 1 A 50 50 ASP CA C 50 52.729 53.287 -0.558 1
1 554 . 15 1 1 A 50 50 ASP CB C 50 43.737 44.011 -0.274 1
1 555 . 15 1 1 A 50 50 ASP N N 50 113.574 114.714 -1.140 1
1 556 . 15 1 1 A 51 51 ARG H H 51 8.532 8.583 -0.051 1
1 557 . 15 1 1 A 51 51 ARG HA H 51 5.005 5.112 -0.107 1
1 565 . 15 1 1 A 51 51 ARG C C 51 174.656 174.636 0.020 1
1 566 . 15 1 1 A 51 51 ARG CA C 51 55.605 55.439 0.166 1
1 567 . 15 1 1 A 51 51 ARG CB C 51 33.520 34.021 -0.501 1
1 570 . 15 1 1 A 51 51 ARG N N 51 117.888 122.635 -4.747 1
1 572 . 15 1 1 A 52 52 VAL H H 52 9.155 9.383 -0.228 1
1 573 . 15 1 1 A 52 52 VAL HA H 52 4.616 4.913 -0.297 1
1 581 . 15 1 1 A 52 52 VAL C C 52 174.710 175.611 -0.901 1
1 582 . 15 1 1 A 52 52 VAL CA C 52 59.382 60.008 -0.626 1
1 583 . 15 1 1 A 52 52 VAL CB C 52 35.266 34.157 1.109 1
1 586 . 15 1 1 A 52 52 VAL N N 52 121.629 121.958 -0.329 1
1 587 . 15 1 1 A 53 53 VAL H H 53 8.956 9.040 -0.084 1
1 588 . 15 1 1 A 53 53 VAL HA H 53 3.745 4.168 -0.423 1
1 596 . 15 1 1 A 53 53 VAL C C 53 174.610 175.799 -1.189 1
1 597 . 15 1 1 A 53 53 VAL CA C 53 64.676 63.387 1.289 1
1 598 . 15 1 1 A 53 53 VAL CB C 53 32.305 32.357 -0.052 1
1 601 . 15 1 1 A 53 53 VAL N N 53 125.547 125.002 0.545 1
1 602 . 15 1 1 A 54 54 ILE H H 54 8.705 9.052 -0.347 1
1 603 . 15 1 1 A 54 54 ILE HA H 54 4.324 4.342 -0.018 1
1 613 . 15 1 1 A 54 54 ILE C C 54 176.747 176.188 0.559 1
1 614 . 15 1 1 A 54 54 ILE CA C 54 58.623 62.875 -4.252 1
1 615 . 15 1 1 A 54 54 ILE CB C 54 36.787 39.702 -2.915 1
1 619 . 15 1 1 A 54 54 ILE N N 54 126.147 125.190 0.957 1
1 620 . 15 1 1 A 55 55 HIS H H 55 7.913 7.873 0.040 1
1 621 . 15 1 1 A 55 55 HIS HA H 55 4.626 4.431 0.195 1
1 626 . 15 1 1 A 55 55 HIS C C 55 174.365 175.790 -1.425 1
1 627 . 15 1 1 A 55 55 HIS CA C 55 57.917 57.467 0.450 1
1 628 . 15 1 1 A 55 55 HIS CB C 55 29.796 29.768 0.028 1
1 631 . 15 1 1 A 55 55 HIS N N 55 119.790 123.760 -3.970 1
1 632 . 15 1 1 A 56 56 PHE H H 56 9.382 9.121 0.261 1
1 633 . 15 1 1 A 56 56 PHE HA H 56 4.225 4.291 -0.066 1
1 641 . 15 1 1 A 56 56 PHE C C 56 175.781 175.175 0.606 1
1 642 . 15 1 1 A 56 56 PHE CA C 56 57.593 58.440 -0.847 1
1 643 . 15 1 1 A 56 56 PHE CB C 56 36.664 36.348 0.316 1
1 649 . 15 1 1 A 56 56 PHE N N 56 124.614 122.928 1.686 1
1 650 . 15 1 1 A 57 57 ASN H H 57 8.755 7.845 0.910 1
1 651 . 15 1 1 A 57 57 ASN HA H 57 5.319 5.096 0.223 1
1 656 . 15 1 1 A 57 57 ASN C C 57 175.317 175.328 -0.011 1
1 657 . 15 1 1 A 57 57 ASN CA C 57 52.129 53.458 -1.329 1
1 658 . 15 1 1 A 57 57 ASN CB C 57 41.640 41.293 0.347 1
1 659 . 15 1 1 A 57 57 ASN N N 57 114.893 116.200 -1.307 1
1 661 . 15 1 1 A 58 58 VAL H H 58 8.606 7.406 1.200 1
1 662 . 15 1 1 A 58 58 VAL HA H 58 4.138 4.615 -0.477 1
1 670 . 15 1 1 A 58 58 VAL C C 58 175.486 176.045 -0.559 1
1 671 . 15 1 1 A 58 58 VAL CA C 58 63.035 62.457 0.578 1
1 672 . 15 1 1 A 58 58 VAL CB C 58 32.733 30.936 1.797 1
1 675 . 15 1 1 A 58 58 VAL N N 58 121.476 119.147 2.329 1
1 676 . 15 1 1 A 59 59 ARG H H 59 9.233 8.566 0.667 1
1 677 . 15 1 1 A 59 59 ARG HA H 59 4.184 4.116 0.068 1
1 684 . 15 1 1 A 59 59 ARG C C 59 175.572 175.239 0.333 1
1 685 . 15 1 1 A 59 59 ARG CA C 59 58.093 57.694 0.399 1
1 686 . 15 1 1 A 59 59 ARG CB C 59 31.236 31.093 0.143 1
1 689 . 15 1 1 A 59 59 ARG N N 59 128.965 129.858 -0.893 1
1 690 . 15 1 1 A 60 60 ASP H H 60 7.745 7.821 -0.076 1
1 691 . 15 1 1 A 60 60 ASP HA H 60 4.485 4.982 -0.497 1
1 694 . 15 1 1 A 60 60 ASP C C 60 173.047 173.944 -0.897 1
1 695 . 15 1 1 A 60 60 ASP CA C 60 53.911 52.908 1.003 1
1 696 . 15 1 1 A 60 60 ASP CB C 60 42.874 44.307 -1.433 1
1 697 . 15 1 1 A 60 60 ASP N N 60 113.170 117.737 -4.567 1
1 698 . 15 1 1 A 61 61 ILE H H 61 8.398 8.618 -0.220 1
1 699 . 15 1 1 A 61 61 ILE HA H 61 5.055 4.887 0.168 1
1 709 . 15 1 1 A 61 61 ILE C C 61 174.897 174.320 0.577 1
1 710 . 15 1 1 A 61 61 ILE CA C 61 60.511 60.704 -0.193 1
1 711 . 15 1 1 A 61 61 ILE CB C 61 41.558 40.763 0.795 1
1 715 . 15 1 1 A 61 61 ILE N N 61 118.375 122.043 -3.668 1
1 716 . 15 1 1 A 62 62 LYS H H 62 8.619 9.000 -0.381 1
1 717 . 15 1 1 A 62 62 LYS HA H 62 4.711 5.005 -0.294 1
1 726 . 15 1 1 A 62 62 LYS C C 62 174.636 175.735 -1.099 1
1 727 . 15 1 1 A 62 62 LYS CA C 62 53.947 54.967 -1.020 1
1 728 . 15 1 1 A 62 62 LYS CB C 62 35.677 35.200 0.477 1
1 732 . 15 1 1 A 62 62 LYS N N 62 128.701 127.174 1.527 1
1 733 . 15 1 1 A 63 63 VAL H H 63 8.946 8.580 0.366 1
1 734 . 15 1 1 A 63 63 VAL HA H 63 5.073 4.748 0.325 1
1 742 . 15 1 1 A 63 63 VAL C C 63 177.772 176.194 1.578 1
1 743 . 15 1 1 A 63 63 VAL CA C 63 59.734 60.968 -1.234 1
1 744 . 15 1 1 A 63 63 VAL CB C 63 36.210 34.496 1.714 1
1 747 . 15 1 1 A 63 63 VAL N N 63 120.053 122.408 -2.355 1
1 748 . 15 1 1 A 64 64 GLY H H 64 9.804 9.061 0.743 1
1 749 . 15 1 1 A 64 64 GLY HA2 H 64 4.415 3.926 0.489 1
1 750 . 15 1 1 A 64 64 GLY HA3 H 64 3.906 3.927 -0.021 1
1 751 . 15 1 1 A 64 64 GLY C C 64 176.864 175.739 1.125 1
1 752 . 15 1 1 A 64 64 GLY CA C 64 47.063 47.138 -0.075 1
1 753 . 15 1 1 A 64 64 GLY N N 64 118.354 115.134 3.220 1
1 754 . 15 1 1 A 65 65 GLN H H 65 9.045 8.822 0.223 1
1 755 . 15 1 1 A 65 65 GLN HA H 65 3.944 4.027 -0.083 1
1 762 . 15 1 1 A 65 65 GLN C C 65 176.698 178.587 -1.889 1
1 763 . 15 1 1 A 65 65 GLN CA C 65 57.793 58.799 -1.006 1
1 764 . 15 1 1 A 65 65 GLN CB C 65 27.822 28.286 -0.464 1
1 766 . 15 1 1 A 65 65 GLN N N 65 124.600 125.185 -0.585 1
1 768 . 15 1 1 A 66 66 GLU H H 66 7.886 7.857 0.029 1
1 769 . 15 1 1 A 66 66 GLU HA H 66 4.145 4.051 0.094 1
1 774 . 15 1 1 A 66 66 GLU C C 66 178.049 177.798 0.251 1
1 775 . 15 1 1 A 66 66 GLU CA C 66 57.564 59.679 -2.115 1
1 776 . 15 1 1 A 66 66 GLU CB C 66 31.236 29.358 1.878 1
1 778 . 15 1 1 A 66 66 GLU N N 66 116.486 119.700 -3.214 1
1 779 . 15 1 1 A 67 67 CYS H H 67 8.015 7.978 0.037 1
1 780 . 15 1 1 A 67 67 CYS HA H 67 4.331 4.518 -0.187 1
1 783 . 15 1 1 A 67 67 CYS C C 67 175.278 174.626 0.652 1
1 784 . 15 1 1 A 67 67 CYS CA C 67 58.817 59.700 -0.883 1
1 785 . 15 1 1 A 67 67 CYS CB C 67 26.342 28.698 -2.356 1
1 786 . 15 1 1 A 67 67 CYS N N 67 119.526 118.357 1.169 1
1 787 . 15 1 1 A 68 68 GLN H H 68 7.983 8.854 -0.871 1
1 788 . 15 1 1 A 68 68 GLN HA H 68 4.199 4.520 -0.321 1
1 795 . 15 1 1 A 68 68 GLN C C 68 175.866 174.127 1.739 1
1 796 . 15 1 1 A 68 68 GLN CA C 68 56.399 55.768 0.631 1
1 797 . 15 1 1 A 68 68 GLN CB C 68 29.837 31.619 -1.782 1
1 799 . 15 1 1 A 68 68 GLN N N 68 120.826 121.613 -0.787 1
1 801 . 15 1 1 A 69 69 ASP H H 69 8.755 8.732 0.023 1
1 802 . 15 1 1 A 69 69 ASP HA H 69 4.395 4.161 0.234 1
1 805 . 15 1 1 A 69 69 ASP C C 69 174.652 174.685 -0.033 1
1 806 . 15 1 1 A 69 69 ASP CA C 69 54.546 55.307 -0.761 1
1 807 . 15 1 1 A 69 69 ASP CB C 69 39.954 39.514 0.440 1
1 808 . 15 1 1 A 69 69 ASP N N 69 117.691 122.584 -4.893 1
1 809 . 15 1 1 A 70 70 VAL H H 70 7.245 7.453 -0.208 1
1 810 . 15 1 1 A 70 70 VAL HA H 70 4.173 4.623 -0.450 1
1 818 . 15 1 1 A 70 70 VAL C C 70 173.502 174.770 -1.268 1
1 819 . 15 1 1 A 70 70 VAL CA C 70 60.502 60.973 -0.471 1
1 820 . 15 1 1 A 70 70 VAL CB C 70 34.397 35.350 -0.953 1
1 823 . 15 1 1 A 70 70 VAL N N 70 116.632 117.945 -1.313 1
1 824 . 15 1 1 A 71 71 GLN H H 71 8.513 8.598 -0.085 1
1 825 . 15 1 1 A 71 71 GLN HA H 71 4.758 4.903 -0.145 1
1 832 . 15 1 1 A 71 71 GLN C C 71 173.404 174.985 -1.581 1
1 833 . 15 1 1 A 71 71 GLN CA C 71 52.093 54.057 -1.964 1
1 834 . 15 1 1 A 71 71 GLN CB C 71 29.467 29.392 0.075 1
1 836 . 15 1 1 A 71 71 GLN N N 71 125.361 125.910 -0.549 1
1 838 . 15 1 1 A 72 72 PRO HA H 72 3.955 4.577 -0.622 1
1 845 . 15 1 1 A 72 72 PRO CA C 72 61.219 61.388 -0.169 1
1 846 . 15 1 1 A 72 72 PRO CB C 72 30.548 31.180 -0.632 1
1 849 . 15 1 1 A 73 73 PRO HA H 73 3.584 4.252 -0.668 1
1 856 . 15 1 1 A 73 73 PRO C C 73 175.005 176.559 -1.554 1
1 857 . 15 1 1 A 73 73 PRO CA C 73 61.764 62.162 -0.398 1
1 858 . 15 1 1 A 73 73 PRO CB C 73 30.080 31.044 -0.964 1
1 861 . 15 1 1 A 74 74 GLU H H 74 8.066 8.362 -0.296 1
1 862 . 15 1 1 A 74 74 GLU HA H 74 3.766 3.790 -0.024 1
1 867 . 15 1 1 A 74 74 GLU C C 74 177.415 177.178 0.237 1
1 868 . 15 1 1 A 74 74 GLU CA C 74 58.005 58.590 -0.585 1
1 869 . 15 1 1 A 74 74 GLU CB C 74 29.340 29.357 -0.017 1
1 871 . 15 1 1 A 74 74 GLU N N 74 120.425 121.803 -1.378 1
1 872 . 15 1 1 A 75 75 GLY H H 75 8.576 8.886 -0.310 1
1 873 . 15 1 1 A 75 75 GLY HA2 H 75 4.024 3.906 0.118 1
1 874 . 15 1 1 A 75 75 GLY HA3 H 75 3.568 3.932 -0.364 1
1 875 . 15 1 1 A 75 75 GLY C C 75 174.093 174.623 -0.530 1
1 876 . 15 1 1 A 75 75 GLY CA C 75 45.299 45.121 0.178 1
1 877 . 15 1 1 A 75 75 GLY N N 75 112.779 112.695 0.084 1
1 878 . 15 1 1 A 76 76 ARG H H 76 7.791 7.709 0.082 1
1 879 . 15 1 1 A 76 76 ARG HA H 76 4.444 4.273 0.171 1
1 887 . 15 1 1 A 76 76 ARG C C 76 175.188 174.779 0.409 1
1 888 . 15 1 1 A 76 76 ARG CA C 76 54.617 56.125 -1.508 1
1 889 . 15 1 1 A 76 76 ARG CB C 76 31.030 31.519 -0.489 1
1 892 . 15 1 1 A 76 76 ARG N N 76 121.088 121.405 -0.317 1
1 894 . 15 1 1 A 77 77 SER H H 77 8.235 8.514 -0.279 1
1 895 . 15 1 1 A 77 77 SER HA H 77 4.405 4.780 -0.375 1
1 898 . 15 1 1 A 77 77 SER C C 77 176.069 174.486 1.583 1
1 899 . 15 1 1 A 77 77 SER CA C 77 56.805 57.359 -0.554 1
1 900 . 15 1 1 A 77 77 SER CB C 77 64.136 66.296 -2.160 1
1 901 . 15 1 1 A 77 77 SER N N 77 113.991 116.718 -2.727 1
1 902 . 15 1 1 A 78 78 ARG H H 78 8.745 9.068 -0.323 1
1 903 . 15 1 1 A 78 78 ARG HA H 78 3.774 3.888 -0.114 1
1 909 . 15 1 1 A 78 78 ARG C C 78 176.758 178.305 -1.547 1
1 910 . 15 1 1 A 78 78 ARG CA C 78 58.341 60.143 -1.802 1
1 911 . 15 1 1 A 78 78 ARG CB C 78 30.043 30.258 -0.215 1
1 914 . 15 1 1 A 78 78 ARG N N 78 122.262 124.897 -2.635 1
1 915 . 15 1 1 A 79 79 ASP H H 79 8.106 8.205 -0.099 1
1 916 . 15 1 1 A 79 79 ASP HA H 79 4.175 4.295 -0.120 1
1 919 . 15 1 1 A 79 79 ASP C C 79 175.579 178.936 -3.357 1
1 920 . 15 1 1 A 79 79 ASP CA C 79 57.159 57.195 -0.036 1
1 921 . 15 1 1 A 79 79 ASP CB C 79 40.900 40.829 0.071 1
1 922 . 15 1 1 A 79 79 ASP N N 79 115.963 120.240 -4.277 1
1 923 . 15 1 1 A 80 80 GLY H H 80 7.305 8.235 -0.930 1
1 924 . 15 1 1 A 80 80 GLY HA2 H 80 4.047 3.785 0.262 1
1 925 . 15 1 1 A 80 80 GLY HA3 H 80 3.387 3.812 -0.425 1
1 926 . 15 1 1 A 80 80 GLY C C 80 174.263 175.514 -1.251 1
1 927 . 15 1 1 A 80 80 GLY CA C 80 44.276 47.366 -3.090 1
1 928 . 15 1 1 A 80 80 GLY N N 80 101.592 106.808 -5.216 1
1 929 . 15 1 1 A 81 81 LEU H H 81 7.307 7.752 -0.445 1
1 930 . 15 1 1 A 81 81 LEU HA H 81 4.494 4.252 0.242 1
1 940 . 15 1 1 A 81 81 LEU C C 81 176.212 176.336 -0.124 1
1 941 . 15 1 1 A 81 81 LEU CA C 81 56.346 56.039 0.307 1
1 942 . 15 1 1 A 81 81 LEU CB C 81 44.025 42.216 1.809 1
1 946 . 15 1 1 A 81 81 LEU N N 81 121.062 122.475 -1.413 1
1 947 . 15 1 1 A 82 82 LEU H H 82 8.286 8.761 -0.475 1
1 948 . 15 1 1 A 82 82 LEU HA H 82 5.260 5.101 0.159 1
1 958 . 15 1 1 A 82 82 LEU C C 82 175.122 174.519 0.603 1
1 959 . 15 1 1 A 82 82 LEU CA C 82 55.334 54.585 0.749 1
1 960 . 15 1 1 A 82 82 LEU CB C 82 46.064 45.093 0.971 1
1 964 . 15 1 1 A 82 82 LEU N N 82 118.524 124.282 -5.758 1
1 965 . 15 1 1 A 83 83 THR H H 83 9.095 9.169 -0.074 1
1 966 . 15 1 1 A 83 83 THR HA H 83 5.305 5.205 0.100 1
1 971 . 15 1 1 A 83 83 THR C C 83 173.754 173.790 -0.036 1
1 972 . 15 1 1 A 83 83 THR CA C 83 61.076 62.093 -1.017 1
1 973 . 15 1 1 A 83 83 THR CB C 83 71.268 69.520 1.748 1
1 975 . 15 1 1 A 83 83 THR N N 83 120.894 123.407 -2.513 1
1 976 . 15 1 1 A 84 84 VAL H H 84 9.175 8.805 0.370 1
1 977 . 15 1 1 A 84 84 VAL HA H 84 4.205 4.423 -0.218 1
1 985 . 15 1 1 A 84 84 VAL C C 84 173.741 175.038 -1.297 1
1 986 . 15 1 1 A 84 84 VAL CA C 84 61.182 61.324 -0.142 1
1 987 . 15 1 1 A 84 84 VAL CB C 84 32.921 32.825 0.096 1
1 990 . 15 1 1 A 84 84 VAL N N 84 127.342 128.488 -1.146 1
1 991 . 15 1 1 A 85 85 ASN H H 85 8.597 8.881 -0.284 1
1 992 . 15 1 1 A 85 85 ASN HA H 85 4.960 5.145 -0.185 1
1 997 . 15 1 1 A 85 85 ASN C C 85 174.440 174.393 0.047 1
1 998 . 15 1 1 A 85 85 ASN CA C 85 52.870 52.895 -0.025 1
1 999 . 15 1 1 A 85 85 ASN CB C 85 39.214 40.668 -1.454 1
1 1000 . 15 1 1 A 85 85 ASN N N 85 125.999 126.175 -0.176 1
1 1002 . 15 1 1 A 86 86 LEU H H 86 8.283 8.528 -0.245 1
1 1003 . 15 1 1 A 86 86 LEU HA H 86 5.176 5.177 -0.001 1
1 1013 . 15 1 1 A 86 86 LEU C C 86 178.644 177.622 1.022 1
1 1014 . 15 1 1 A 86 86 LEU CA C 86 53.700 53.259 0.441 1
1 1015 . 15 1 1 A 86 86 LEU CB C 86 42.298 44.371 -2.073 1
1 1019 . 15 1 1 A 86 86 LEU N N 86 125.763 123.482 2.281 1
1 1020 . 15 1 1 A 87 87 ARG H H 87 8.655 9.065 -0.410 1
1 1021 . 15 1 1 A 87 87 ARG HA H 87 3.905 3.899 0.006 1
1 1028 . 15 1 1 A 87 87 ARG C C 87 177.223 177.967 -0.744 1
1 1029 . 15 1 1 A 87 87 ARG CA C 87 59.717 60.007 -0.290 1
1 1030 . 15 1 1 A 87 87 ARG CB C 87 29.280 30.305 -1.025 1
1 1033 . 15 1 1 A 87 87 ARG N N 87 123.105 122.736 0.369 1
1 1034 . 15 1 1 A 88 88 GLU H H 88 8.525 7.951 0.574 1
1 1035 . 15 1 1 A 88 88 GLU HA H 88 4.515 4.182 0.333 1
1 1040 . 15 1 1 A 88 88 GLU C C 88 175.762 176.947 -1.185 1
1 1041 . 15 1 1 A 88 88 GLU CA C 88 55.852 57.350 -1.498 1
1 1042 . 15 1 1 A 88 88 GLU CB C 88 30.249 30.179 0.070 1
1 1044 . 15 1 1 A 88 88 GLU N N 88 117.722 116.113 1.609 1
1 1045 . 15 1 1 A 89 89 GLY H H 89 8.063 8.042 0.021 1
1 1046 . 15 1 1 A 89 89 GLY HA2 H 89 3.735 4.002 -0.267 1
1 1047 . 15 1 1 A 89 89 GLY HA3 H 89 4.536 4.005 0.531 1
1 1048 . 15 1 1 A 89 89 GLY C C 89 173.864 173.517 0.347 1
1 1049 . 15 1 1 A 89 89 GLY CA C 89 44.222 46.323 -2.101 1
1 1050 . 15 1 1 A 89 89 GLY N N 89 110.616 109.789 0.827 1
1 1051 . 15 1 1 A 90 90 SER H H 90 8.094 7.844 0.250 1
1 1052 . 15 1 1 A 90 90 SER HA H 90 4.484 4.844 -0.360 1
1 1055 . 15 1 1 A 90 90 SER C C 90 172.813 172.466 0.347 1
1 1056 . 15 1 1 A 90 90 SER CA C 90 58.552 57.538 1.014 1
1 1057 . 15 1 1 A 90 90 SER CB C 90 63.915 65.438 -1.523 1
1 1058 . 15 1 1 A 90 90 SER N N 90 116.620 114.467 2.153 1
1 1059 . 15 1 1 A 91 91 ARG H H 91 8.285 8.776 -0.491 1
1 1060 . 15 1 1 A 91 91 ARG HA H 91 4.725 5.173 -0.448 1
1 1067 . 15 1 1 A 91 91 ARG C C 91 175.511 174.900 0.611 1
1 1068 . 15 1 1 A 91 91 ARG CA C 91 55.870 54.711 1.159 1
1 1069 . 15 1 1 A 91 91 ARG CB C 91 32.058 32.595 -0.537 1
1 1072 . 15 1 1 A 91 91 ARG N N 91 121.045 122.741 -1.696 1
1 1073 . 15 1 1 A 92 92 LEU H H 92 8.485 9.514 -1.029 1
1 1074 . 15 1 1 A 92 92 LEU HA H 92 4.555 4.834 -0.279 1
1 1084 . 15 1 1 A 92 92 LEU C C 92 174.815 175.581 -0.766 1
1 1085 . 15 1 1 A 92 92 LEU CA C 92 53.629 53.516 0.113 1
1 1086 . 15 1 1 A 92 92 LEU CB C 92 44.066 42.420 1.646 1
1 1090 . 15 1 1 A 92 92 LEU N N 92 123.633 125.405 -1.772 1
1 1091 . 15 1 1 A 93 93 HIS H H 93 8.871 9.011 -0.140 1
1 1092 . 15 1 1 A 93 93 HIS HA H 93 5.135 4.954 0.181 1
1 1097 . 15 1 1 A 93 93 HIS C C 93 173.251 175.130 -1.879 1
1 1098 . 15 1 1 A 93 93 HIS CA C 93 56.135 56.101 0.034 1
1 1099 . 15 1 1 A 93 93 HIS CB C 93 30.701 29.297 1.404 1
1 1101 . 15 1 1 A 93 93 HIS N N 93 124.492 124.345 0.147 1
1 1102 . 15 1 1 A 94 94 LEU H H 94 9.105 9.141 -0.036 1
1 1103 . 15 1 1 A 94 94 LEU HA H 94 5.940 5.415 0.525 1
1 1113 . 15 1 1 A 94 94 LEU C C 94 177.396 175.840 1.556 1
1 1114 . 15 1 1 A 94 94 LEU CA C 94 52.552 53.496 -0.944 1
1 1115 . 15 1 1 A 94 94 LEU CB C 94 45.465 46.397 -0.932 1
1 1119 . 15 1 1 A 94 94 LEU N N 94 122.911 124.744 -1.833 1
1 1120 . 15 1 1 A 95 95 CYS H H 95 8.953 8.857 0.096 1
1 1121 . 15 1 1 A 95 95 CYS HA H 95 4.863 5.087 -0.224 1
1 1124 . 15 1 1 A 95 95 CYS C C 95 172.585 173.119 -0.534 1
1 1125 . 15 1 1 A 95 95 CYS CA C 95 59.964 57.982 1.982 1
1 1126 . 15 1 1 A 95 95 CYS CB C 95 29.220 31.444 -2.224 1
1 1127 . 15 1 1 A 95 95 CYS N N 95 118.920 120.409 -1.489 1
1 1128 . 15 1 1 A 96 96 ALA H H 96 9.465 8.654 0.811 1
1 1129 . 15 1 1 A 96 96 ALA HA H 96 5.035 4.724 0.311 1
1 1133 . 15 1 1 A 96 96 ALA C C 96 177.396 178.094 -0.698 1
1 1134 . 15 1 1 A 96 96 ALA CA C 96 50.205 51.210 -1.005 1
1 1135 . 15 1 1 A 96 96 ALA CB C 96 21.571 21.055 0.516 1
1 1136 . 15 1 1 A 96 96 ALA N N 96 132.924 127.666 5.258 1
1 1137 . 15 1 1 A 97 97 GLU H H 97 9.636 8.607 1.029 1
1 1138 . 15 1 1 A 97 97 GLU HA H 97 4.344 4.147 0.197 1
1 1143 . 15 1 1 A 97 97 GLU C C 97 176.882 176.792 0.090 1
1 1144 . 15 1 1 A 97 97 GLU CA C 97 58.040 59.822 -1.782 1
1 1145 . 15 1 1 A 97 97 GLU CB C 97 30.207 30.065 0.142 1
1 1147 . 15 1 1 A 97 97 GLU N N 97 116.636 120.462 -3.826 1
1 1148 . 15 1 1 A 98 98 THR H H 98 7.155 7.766 -0.611 1
1 1149 . 15 1 1 A 98 98 THR HA H 98 4.684 4.666 0.018 1
1 1154 . 15 1 1 A 98 98 THR C C 98 174.259 174.869 -0.610 1
1 1155 . 15 1 1 A 98 98 THR CA C 98 58.323 59.579 -1.256 1
1 1156 . 15 1 1 A 98 98 THR CB C 98 73.529 72.189 1.340 1
1 1158 . 15 1 1 A 98 98 THR N N 98 102.167 111.710 -9.543 1
1 1159 . 15 1 1 A 99 99 ARG H H 99 9.025 8.953 0.072 1
1 1160 . 15 1 1 A 99 99 ARG HA H 99 4.056 4.053 0.003 1
1 1167 . 15 1 1 A 99 99 ARG C C 99 177.995 177.834 0.161 1
1 1168 . 15 1 1 A 99 99 ARG CA C 99 59.029 59.147 -0.118 1
1 1169 . 15 1 1 A 99 99 ARG CB C 99 30.208 29.933 0.275 1
1 1172 . 15 1 1 A 99 99 ARG N N 99 122.747 120.159 2.588 1
1 1173 . 15 1 1 A 100 100 ASP H H 100 8.387 8.239 0.148 1
1 1174 . 15 1 1 A 100 100 ASP HA H 100 4.306 4.328 -0.022 1
1 1177 . 15 1 1 A 100 100 ASP C C 100 179.110 178.672 0.438 1
1 1178 . 15 1 1 A 100 100 ASP CA C 100 57.475 57.532 -0.057 1
1 1179 . 15 1 1 A 100 100 ASP CB C 100 40.201 39.998 0.203 1
1 1180 . 15 1 1 A 100 100 ASP N N 100 116.422 119.826 -3.404 1
1 1181 . 15 1 1 A 101 101 ASP H H 101 8.046 7.461 0.585 1
1 1182 . 15 1 1 A 101 101 ASP HA H 101 4.576 4.374 0.202 1
1 1185 . 15 1 1 A 101 101 ASP C C 101 177.751 178.637 -0.886 1
1 1186 . 15 1 1 A 101 101 ASP CA C 101 57.229 57.078 0.151 1
1 1187 . 15 1 1 A 101 101 ASP CB C 101 42.093 40.637 1.456 1
1 1188 . 15 1 1 A 101 101 ASP N N 101 120.742 119.712 1.030 1
1 1189 . 15 1 1 A 102 102 ALA H H 102 7.674 7.870 -0.196 1
1 1190 . 15 1 1 A 102 102 ALA HA H 102 4.084 4.230 -0.146 1
1 1194 . 15 1 1 A 102 102 ALA C C 102 179.609 180.131 -0.522 1
1 1195 . 15 1 1 A 102 102 ALA CA C 102 56.364 55.348 1.016 1
1 1196 . 15 1 1 A 102 102 ALA CB C 102 17.952 18.106 -0.154 1
1 1197 . 15 1 1 A 102 102 ALA N N 102 122.523 122.065 0.458 1
1 1198 . 15 1 1 A 103 103 ILE H H 103 8.499 8.376 0.123 1
1 1199 . 15 1 1 A 103 103 ILE HA H 103 3.681 3.724 -0.043 1
1 1209 . 15 1 1 A 103 103 ILE C C 103 178.622 177.837 0.785 1
1 1210 . 15 1 1 A 103 103 ILE CA C 103 64.182 65.538 -1.356 1
1 1211 . 15 1 1 A 103 103 ILE CB C 103 37.240 37.651 -0.411 1
1 1215 . 15 1 1 A 103 103 ILE N N 103 117.417 118.655 -1.238 1
1 1216 . 15 1 1 A 104 104 ALA H H 104 8.174 8.259 -0.085 1
1 1217 . 15 1 1 A 104 104 ALA HA H 104 4.095 4.031 0.064 1
1 1221 . 15 1 1 A 104 104 ALA C C 104 181.998 179.386 2.612 1
1 1222 . 15 1 1 A 104 104 ALA CA C 104 55.517 54.993 0.524 1
1 1223 . 15 1 1 A 104 104 ALA CB C 104 17.294 18.014 -0.720 1
1 1224 . 15 1 1 A 104 104 ALA N N 104 124.916 121.926 2.990 1
1 1225 . 15 1 1 A 105 105 TRP H H 105 8.365 7.755 0.610 1
1 1226 . 15 1 1 A 105 105 TRP HA H 105 4.025 4.405 -0.380 1
1 1235 . 15 1 1 A 105 105 TRP C C 105 177.969 178.696 -0.727 1
1 1236 . 15 1 1 A 105 105 TRP CA C 105 62.011 60.004 2.007 1
1 1237 . 15 1 1 A 105 105 TRP CB C 105 29.179 28.997 0.182 1
1 1243 . 15 1 1 A 105 105 TRP N N 105 119.726 118.569 1.157 1
1 1245 . 15 1 1 A 106 106 LYS H H 106 8.746 7.931 0.815 1
1 1246 . 15 1 1 A 106 106 LYS HA H 106 3.805 4.083 -0.278 1
1 1255 . 15 1 1 A 106 106 LYS C C 106 177.626 179.023 -1.397 1
1 1256 . 15 1 1 A 106 106 LYS CA C 106 60.865 59.597 1.268 1
1 1257 . 15 1 1 A 106 106 LYS CB C 106 31.606 31.945 -0.339 1
1 1261 . 15 1 1 A 106 106 LYS N N 106 120.565 120.329 0.236 1
1 1262 . 15 1 1 A 107 107 THR H H 107 8.714 7.527 1.187 1
1 1263 . 15 1 1 A 107 107 THR HA H 107 3.774 3.949 -0.175 1
1 1268 . 15 1 1 A 107 107 THR C C 107 176.238 176.128 0.110 1
1 1269 . 15 1 1 A 107 107 THR CA C 107 66.688 66.537 0.151 1
1 1270 . 15 1 1 A 107 107 THR CB C 107 69.065 68.875 0.190 1
1 1272 . 15 1 1 A 107 107 THR N N 107 115.018 116.531 -1.513 1
1 1273 . 15 1 1 A 108 108 ALA H H 108 7.769 8.169 -0.400 1
1 1274 . 15 1 1 A 108 108 ALA HA H 108 4.094 4.055 0.039 1
1 1278 . 15 1 1 A 108 108 ALA C C 108 180.611 179.582 1.029 1
1 1279 . 15 1 1 A 108 108 ALA CA C 108 55.005 54.724 0.281 1
1 1280 . 15 1 1 A 108 108 ALA CB C 108 18.015 18.223 -0.208 1
1 1281 . 15 1 1 A 108 108 ALA N N 108 123.150 123.478 -0.328 1
1 1282 . 15 1 1 A 109 109 LEU H H 109 8.795 8.114 0.681 1
1 1283 . 15 1 1 A 109 109 LEU HA H 109 4.045 4.230 -0.185 1
1 1293 . 15 1 1 A 109 109 LEU C C 109 178.758 179.190 -0.432 1
1 1294 . 15 1 1 A 109 109 LEU CA C 109 58.093 57.403 0.690 1
1 1295 . 15 1 1 A 109 109 LEU CB C 109 42.298 42.060 0.238 1
1 1299 . 15 1 1 A 109 109 LEU N N 109 118.714 119.187 -0.473 1
1 1300 . 15 1 1 A 110 110 MET H H 110 8.582 8.301 0.281 1
1 1301 . 15 1 1 A 110 110 MET HA H 110 4.404 4.029 0.375 1
1 1309 . 15 1 1 A 110 110 MET C C 110 180.290 178.816 1.474 1
1 1310 . 15 1 1 A 110 110 MET CA C 110 56.876 58.941 -2.065 1
1 1311 . 15 1 1 A 110 110 MET CB C 110 30.002 32.498 -2.496 1
1 1314 . 15 1 1 A 110 110 MET N N 110 117.122 116.419 0.703 1
1 1315 . 15 1 1 A 111 111 GLU H H 111 8.062 8.051 0.011 1
1 1316 . 15 1 1 A 111 111 GLU HA H 111 4.126 4.002 0.124 1
1 1321 . 15 1 1 A 111 111 GLU C C 111 179.237 178.708 0.529 1
1 1322 . 15 1 1 A 111 111 GLU CA C 111 59.435 58.870 0.565 1
1 1323 . 15 1 1 A 111 111 GLU CB C 111 29.015 29.527 -0.512 1
1 1325 . 15 1 1 A 111 111 GLU N N 111 121.532 118.915 2.617 1
1 1326 . 15 1 1 A 112 112 ALA H H 112 7.975 8.112 -0.137 1
1 1327 . 15 1 1 A 112 112 ALA HA H 112 4.265 4.134 0.131 1
1 1331 . 15 1 1 A 112 112 ALA C C 112 179.608 179.895 -0.287 1
1 1332 . 15 1 1 A 112 112 ALA CA C 112 54.158 54.961 -0.803 1
1 1333 . 15 1 1 A 112 112 ALA CB C 112 19.530 18.564 0.966 1
1 1334 . 15 1 1 A 112 112 ALA N N 112 121.838 122.523 -0.685 1
1 1335 . 15 1 1 A 113 113 ASN H H 113 8.115 8.294 -0.179 1
1 1336 . 15 1 1 A 113 113 ASN HA H 113 4.822 4.827 -0.005 1
1 1341 . 15 1 1 A 113 113 ASN C C 113 176.296 175.747 0.549 1
1 1342 . 15 1 1 A 113 113 ASN CA C 113 56.311 55.903 0.408 1
1 1343 . 15 1 1 A 113 113 ASN CB C 113 40.283 38.764 1.519 1
1 1344 . 15 1 1 A 113 113 ASN N N 113 115.563 117.918 -2.355 1
1 1346 . 15 1 1 A 114 114 SER H H 114 7.365 7.875 -0.510 1
1 1347 . 15 1 1 A 114 114 SER HA H 114 4.545 4.026 0.519 1
1 1350 . 15 1 1 A 114 114 SER C C 114 174.126 173.584 0.542 1
1 1351 . 15 1 1 A 114 114 SER CA C 114 58.464 56.847 1.617 1
1 1352 . 15 1 1 A 114 114 SER CB C 114 64.400 63.213 1.187 1
1 1353 . 15 1 1 A 114 114 SER N N 114 108.652 108.895 -0.243 1
1 1354 . 15 1 1 A 115 115 THR H H 115 7.849 7.508 0.341 1
1 1355 . 15 1 1 A 115 115 THR HA H 115 4.599 4.941 -0.342 1
1 1360 . 15 1 1 A 115 115 THR C C 115 172.337 172.427 -0.090 1
1 1361 . 15 1 1 A 115 115 THR CA C 115 60.817 59.218 1.599 1
1 1362 . 15 1 1 A 115 115 THR CB C 115 70.016 71.631 -1.615 1
1 1364 . 15 1 1 A 115 115 THR N N 115 118.885 115.597 3.288 1
1 1365 . 15 1 1 A 116 116 PRO HA H 116 4.404 4.799 -0.395 1
1 1372 . 15 1 1 A 116 116 PRO CA C 116 63.007 62.522 0.485 1
1 1373 . 15 1 1 A 116 116 PRO CB C 116 32.346 33.360 -1.014 1
1 1376 . 15 1 1 A 117 117 ALA H H 117 8.429 8.328 0.101 1
1 1377 . 15 1 1 A 117 117 ALA HA H 117 4.535 4.834 -0.299 1
1 1381 . 15 1 1 A 117 117 ALA CA C 117 50.359 49.783 0.576 1
1 1382 . 15 1 1 A 117 117 ALA CB C 117 18.069 22.164 -4.095 1
1 1383 . 15 1 1 A 117 117 ALA N N 117 125.693 121.598 4.095 1
1 1384 . 15 1 1 A 118 118 PRO HA H 118 4.377 4.552 -0.175 1
1 1391 . 15 1 1 A 118 118 PRO C C 118 176.656 176.293 0.363 1
1 1392 . 15 1 1 A 118 118 PRO CA C 118 63.105 64.092 -0.987 1
1 1393 . 15 1 1 A 118 118 PRO CB C 118 31.935 31.652 0.283 1
1 1396 . 15 1 1 A 119 119 ALA H H 119 8.430 7.797 0.633 1
1 1397 . 15 1 1 A 119 119 ALA HA H 119 4.255 4.620 -0.365 1
1 1401 . 15 1 1 A 119 119 ALA C C 119 178.416 176.810 1.606 1
1 1402 . 15 1 1 A 119 119 ALA CA C 119 52.744 51.645 1.099 1
1 1403 . 15 1 1 A 119 119 ALA CB C 119 19.186 21.556 -2.370 1
1 1404 . 15 1 1 A 119 119 ALA N N 119 124.565 122.647 1.918 1
1 1405 . 15 1 1 A 120 120 GLY H H 120 8.375 8.363 0.012 1
1 1406 . 15 1 1 A 120 120 GLY HA2 H 120 3.934 4.178 -0.244 1
1 1407 . 15 1 1 A 120 120 GLY HA3 H 120 3.934 4.185 -0.251 1
1 1408 . 15 1 1 A 120 120 GLY C C 120 173.810 172.472 1.338 1
1 1409 . 15 1 1 A 120 120 GLY CA C 120 45.176 45.751 -0.575 1
1 1410 . 15 1 1 A 120 120 GLY N N 120 108.353 105.883 2.470 1
1 1411 . 15 1 1 A 121 121 ALA H H 121 8.116 8.508 -0.392 1
1 1412 . 15 1 1 A 121 121 ALA HA H 121 4.379 4.545 -0.166 1
1 1416 . 15 1 1 A 121 121 ALA C C 121 177.908 176.310 1.598 1
1 1417 . 15 1 1 A 121 121 ALA CA C 121 52.446 51.677 0.769 1
1 1418 . 15 1 1 A 121 121 ALA CB C 121 19.433 20.561 -1.128 1
1 1419 . 15 1 1 A 121 121 ALA N N 121 123.561 126.764 -3.203 1
1 1420 . 15 1 1 A 122 122 THR H H 122 8.212 8.328 -0.116 1
1 1421 . 15 1 1 A 122 122 THR C C 122 174.317 173.987 0.330 1
1 1422 . 15 1 1 A 122 122 THR CA C 122 61.888 60.809 1.079 1
1 1423 . 15 1 1 A 122 122 THR CB C 122 69.648 70.114 -0.466 1
1 1425 . 15 1 1 A 122 122 THR N N 122 114.319 110.188 4.131 1
1 1426 . 15 1 1 A 123 123 VAL H H 123 8.222 8.388 -0.166 1
1 1427 . 15 1 1 A 123 123 VAL HA H 123 4.455 4.517 -0.062 1
1 1435 . 15 1 1 A 123 123 VAL C C 123 174.373 174.945 -0.572 1
1 1436 . 15 1 1 A 123 123 VAL CA C 123 59.717 60.407 -0.690 1
1 1437 . 15 1 1 A 123 123 VAL CB C 123 32.593 32.357 0.236 1
1 1440 . 15 1 1 A 123 123 VAL N N 123 124.311 123.877 0.434 1
1 1441 . 15 1 1 A 124 124 PRO HA H 124 4.403 4.576 -0.173 1
1 1446 . 15 1 1 A 124 124 PRO C C 124 176.873 175.906 0.967 1
1 1447 . 15 1 1 A 124 124 PRO CA C 124 63.211 62.237 0.974 1
1 1448 . 15 1 1 A 124 124 PRO CB C 124 32.017 33.058 -1.041 1
1 1451 . 15 1 1 A 125 125 SER H H 125 8.426 8.466 -0.040 1
1 1452 . 15 1 1 A 125 125 SER HA H 125 4.448 4.785 -0.337 1
1 1455 . 15 1 1 A 125 125 SER C C 125 174.598 174.517 0.081 1
1 1456 . 15 1 1 A 125 125 SER CA C 125 58.341 58.096 0.245 1
1 1457 . 15 1 1 A 125 125 SER CB C 125 64.054 63.928 0.126 1
1 1458 . 15 1 1 A 125 125 SER N N 125 116.463 116.696 -0.233 1
1 1459 . 15 1 1 A 126 126 GLY H H 126 8.233 8.736 -0.503 1
1 1460 . 15 1 1 A 126 126 GLY C C 126 171.756 173.538 -1.782 1
1 1461 . 15 1 1 A 126 126 GLY CA C 126 44.611 44.358 0.253 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.445 4.533 -0.088 1
1 4 . 16 1 1 A 6 6 SER C C 6 174.707 175.670 -0.963 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.482 58.984 -0.502 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.848 64.429 -0.581 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.494 8.895 -0.401 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 4.105 4.122 -0.017 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 4.105 4.137 -0.032 1
1 10 . 16 1 1 A 7 7 GLY C C 7 172.961 174.215 -1.254 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.864 45.473 0.391 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.325 113.429 -3.104 1
1 13 . 16 1 1 A 8 8 LEU H H 8 8.295 7.843 0.452 1
1 14 . 16 1 1 A 8 8 LEU HA H 8 4.268 4.977 -0.709 1
1 24 . 16 1 1 A 8 8 LEU C C 8 176.773 175.729 1.044 1
1 25 . 16 1 1 A 8 8 LEU CA C 8 55.587 53.726 1.861 1
1 26 . 16 1 1 A 8 8 LEU CB C 8 43.367 43.820 -0.453 1
1 30 . 16 1 1 A 8 8 LEU N N 8 123.800 122.737 1.063 1
1 31 . 16 1 1 A 9 9 VAL H H 9 9.290 9.215 0.075 1
1 32 . 16 1 1 A 9 9 VAL HA H 9 3.826 3.997 -0.171 1
1 40 . 16 1 1 A 9 9 VAL C C 9 176.540 175.695 0.845 1
1 41 . 16 1 1 A 9 9 VAL CA C 9 64.888 64.081 0.807 1
1 42 . 16 1 1 A 9 9 VAL CB C 9 32.264 32.386 -0.122 1
1 45 . 16 1 1 A 9 9 VAL N N 9 129.415 126.894 2.521 1
1 46 . 16 1 1 A 10 10 ARG H H 10 7.135 7.615 -0.480 1
1 47 . 16 1 1 A 10 10 ARG HA H 10 4.126 4.658 -0.532 1
1 55 . 16 1 1 A 10 10 ARG C C 10 171.942 174.381 -2.439 1
1 56 . 16 1 1 A 10 10 ARG CA C 10 55.800 54.599 1.201 1
1 57 . 16 1 1 A 10 10 ARG CB C 10 32.223 33.440 -1.217 1
1 60 . 16 1 1 A 10 10 ARG N N 10 117.246 117.980 -0.734 1
1 62 . 16 1 1 A 11 11 GLY H H 11 8.390 8.200 0.190 1
1 63 . 16 1 1 A 11 11 GLY HA2 H 11 3.204 4.065 -0.861 1
1 64 . 16 1 1 A 11 11 GLY HA3 H 11 5.336 4.086 1.250 1
1 65 . 16 1 1 A 11 11 GLY C C 11 172.895 172.410 0.485 1
1 66 . 16 1 1 A 11 11 GLY CA C 11 43.481 44.783 -1.302 1
1 67 . 16 1 1 A 11 11 GLY N N 11 113.527 110.295 3.232 1
1 68 . 16 1 1 A 12 12 GLY H H 12 7.935 7.611 0.324 1
1 69 . 16 1 1 A 12 12 GLY C C 12 171.502 171.615 -0.113 1
1 70 . 16 1 1 A 12 12 GLY CA C 12 46.093 45.523 0.570 1
1 71 . 16 1 1 A 13 13 TRP H H 13 8.904 8.975 -0.071 1
1 72 . 16 1 1 A 13 13 TRP HA H 13 5.205 5.201 0.004 1
1 81 . 16 1 1 A 13 13 TRP C C 13 177.926 176.317 1.609 1
1 82 . 16 1 1 A 13 13 TRP CA C 13 57.846 57.901 -0.055 1
1 83 . 16 1 1 A 13 13 TRP CB C 13 30.290 30.924 -0.634 1
1 89 . 16 1 1 A 13 13 TRP N N 13 121.758 121.414 0.344 1
1 91 . 16 1 1 A 14 14 LEU H H 14 9.295 8.943 0.352 1
1 92 . 16 1 1 A 14 14 LEU HA H 14 4.683 4.728 -0.045 1
1 102 . 16 1 1 A 14 14 LEU C C 14 175.828 176.305 -0.477 1
1 103 . 16 1 1 A 14 14 LEU CA C 14 54.670 53.705 0.965 1
1 104 . 16 1 1 A 14 14 LEU CB C 14 47.562 45.625 1.937 1
1 108 . 16 1 1 A 14 14 LEU N N 14 123.447 123.023 0.424 1
1 109 . 16 1 1 A 15 15 TRP H H 15 8.655 8.406 0.249 1
1 110 . 16 1 1 A 15 15 TRP HA H 15 5.315 5.145 0.170 1
1 119 . 16 1 1 A 15 15 TRP C C 15 175.899 176.092 -0.193 1
1 120 . 16 1 1 A 15 15 TRP CA C 15 57.159 57.873 -0.714 1
1 121 . 16 1 1 A 15 15 TRP CB C 15 30.759 30.592 0.167 1
1 127 . 16 1 1 A 15 15 TRP N N 15 119.571 124.668 -5.097 1
1 129 . 16 1 1 A 16 16 ARG H H 16 10.145 9.464 0.681 1
1 130 . 16 1 1 A 16 16 ARG HA H 16 5.495 5.638 -0.143 1
1 138 . 16 1 1 A 16 16 ARG C C 16 174.930 174.298 0.632 1
1 139 . 16 1 1 A 16 16 ARG CA C 16 54.334 54.080 0.254 1
1 140 . 16 1 1 A 16 16 ARG CB C 16 34.808 33.882 0.926 1
1 143 . 16 1 1 A 16 16 ARG N N 16 121.997 124.798 -2.801 1
1 145 . 16 1 1 A 17 17 GLN H H 17 8.233 8.556 -0.323 1
1 146 . 16 1 1 A 17 17 GLN HA H 17 3.797 4.615 -0.818 1
1 153 . 16 1 1 A 17 17 GLN C C 17 175.654 174.476 1.178 1
1 154 . 16 1 1 A 17 17 GLN CA C 17 55.446 54.071 1.375 1
1 155 . 16 1 1 A 17 17 GLN CB C 17 29.056 30.506 -1.450 1
1 157 . 16 1 1 A 17 17 GLN N N 17 128.414 127.124 1.290 1
1 159 . 16 1 1 A 18 18 SER H H 18 8.635 8.305 0.330 1
1 160 . 16 1 1 A 18 18 SER HA H 18 4.575 4.772 -0.197 1
1 163 . 16 1 1 A 18 18 SER C C 18 175.585 175.392 0.193 1
1 164 . 16 1 1 A 18 18 SER CA C 18 57.246 56.009 1.237 1
1 165 . 16 1 1 A 18 18 SER CB C 18 64.012 65.485 -1.473 1
1 166 . 16 1 1 A 18 18 SER N N 18 122.600 121.218 1.382 1
1 167 . 16 1 1 A 20 20 ILE H H 20 7.976 7.493 0.483 1
1 168 . 16 1 1 A 20 20 ILE HA H 20 4.036 4.073 -0.037 1
1 178 . 16 1 1 A 20 20 ILE C C 20 176.929 177.335 -0.406 1
1 179 . 16 1 1 A 20 20 ILE CA C 20 62.929 62.876 0.053 1
1 180 . 16 1 1 A 20 20 ILE CB C 20 37.912 39.174 -1.262 1
1 184 . 16 1 1 A 20 20 ILE N N 20 120.700 119.134 1.566 1
1 185 . 16 1 1 A 21 21 LEU H H 21 8.089 7.702 0.387 1
1 186 . 16 1 1 A 21 21 LEU HA H 21 4.159 4.178 -0.019 1
1 196 . 16 1 1 A 21 21 LEU C C 21 176.455 176.142 0.313 1
1 197 . 16 1 1 A 21 21 LEU CA C 21 55.287 56.542 -1.255 1
1 198 . 16 1 1 A 21 21 LEU CB C 21 42.051 42.429 -0.378 1
1 202 . 16 1 1 A 21 21 LEU N N 21 119.540 122.466 -2.926 1
1 203 . 16 1 1 A 22 22 ARG H H 22 7.687 7.733 -0.046 1
1 204 . 16 1 1 A 22 22 ARG HA H 22 3.806 3.717 0.089 1
1 211 . 16 1 1 A 22 22 ARG C C 22 175.087 174.546 0.541 1
1 212 . 16 1 1 A 22 22 ARG CA C 22 56.788 57.132 -0.344 1
1 213 . 16 1 1 A 22 22 ARG CB C 22 27.130 27.181 -0.051 1
1 216 . 16 1 1 A 22 22 ARG N N 22 114.383 117.512 -3.129 1
1 217 . 16 1 1 A 23 23 ARG H H 23 7.392 7.598 -0.206 1
1 218 . 16 1 1 A 23 23 ARG HA H 23 4.603 4.766 -0.163 1
1 225 . 16 1 1 A 23 23 ARG C C 23 176.112 174.519 1.593 1
1 226 . 16 1 1 A 23 23 ARG CA C 23 54.846 55.104 -0.258 1
1 227 . 16 1 1 A 23 23 ARG CB C 23 32.387 33.733 -1.346 1
1 230 . 16 1 1 A 23 23 ARG N N 23 115.846 117.712 -1.866 1
1 231 . 16 1 1 A 24 24 TRP H H 24 9.013 8.681 0.332 1
1 232 . 16 1 1 A 24 24 TRP HA H 24 5.154 5.214 -0.060 1
1 241 . 16 1 1 A 24 24 TRP C C 24 176.347 176.568 -0.221 1
1 242 . 16 1 1 A 24 24 TRP CA C 24 57.546 58.339 -0.793 1
1 243 . 16 1 1 A 24 24 TRP CB C 24 31.112 30.853 0.259 1
1 249 . 16 1 1 A 24 24 TRP N N 24 123.861 125.846 -1.985 1
1 251 . 16 1 1 A 25 25 LYS H H 25 9.553 9.679 -0.126 1
1 252 . 16 1 1 A 25 25 LYS HA H 25 4.992 5.427 -0.435 1
1 261 . 16 1 1 A 25 25 LYS C C 25 173.887 175.264 -1.377 1
1 262 . 16 1 1 A 25 25 LYS CA C 25 55.023 54.670 0.353 1
1 263 . 16 1 1 A 25 25 LYS CB C 25 35.965 36.063 -0.098 1
1 267 . 16 1 1 A 25 25 LYS N N 25 123.241 120.570 2.671 1
1 268 . 16 1 1 A 26 26 ARG H H 26 8.705 8.562 0.143 1
1 269 . 16 1 1 A 26 26 ARG HA H 26 4.494 4.124 0.370 1
1 276 . 16 1 1 A 26 26 ARG C C 26 175.755 176.338 -0.583 1
1 277 . 16 1 1 A 26 26 ARG CA C 26 56.046 56.148 -0.102 1
1 278 . 16 1 1 A 26 26 ARG CB C 26 30.783 30.429 0.354 1
1 281 . 16 1 1 A 26 26 ARG N N 26 124.843 123.160 1.683 1
1 282 . 16 1 1 A 27 27 ASN H H 27 9.100 8.556 0.544 1
1 283 . 16 1 1 A 27 27 ASN HA H 27 5.235 5.201 0.034 1
1 288 . 16 1 1 A 27 27 ASN CA C 27 54.041 52.120 1.921 1
1 289 . 16 1 1 A 27 27 ASN CB C 27 46.737 43.574 3.163 1
1 290 . 16 1 1 A 27 27 ASN N N 27 123.044 121.860 1.184 1
1 292 . 16 1 1 A 28 28 TRP H H 28 7.835 8.382 -0.547 1
1 293 . 16 1 1 A 28 28 TRP HA H 28 4.105 4.947 -0.842 1
1 299 . 16 1 1 A 28 28 TRP N N 28 122.540 124.919 -2.379 1
1 300 . 16 1 1 A 29 29 PHE H H 29 8.755 8.693 0.062 1
1 301 . 16 1 1 A 29 29 PHE HA H 29 5.001 4.916 0.085 1
1 309 . 16 1 1 A 29 29 PHE CA C 29 56.692 56.762 -0.070 1
1 310 . 16 1 1 A 29 29 PHE CB C 29 42.284 40.936 1.348 1
1 316 . 16 1 1 A 29 29 PHE N N 29 129.716 126.383 3.333 1
1 317 . 16 1 1 A 30 30 ALA H H 30 8.695 8.641 0.054 1
1 321 . 16 1 1 A 30 30 ALA C C 30 173.958 174.338 -0.380 1
1 322 . 16 1 1 A 30 30 ALA CA C 30 50.611 50.605 0.006 1
1 323 . 16 1 1 A 30 30 ALA CB C 30 22.570 22.393 0.177 1
1 324 . 16 1 1 A 31 31 LEU H H 31 8.815 8.511 0.304 1
1 325 . 16 1 1 A 31 31 LEU HA H 31 5.003 4.815 0.188 1
1 335 . 16 1 1 A 31 31 LEU C C 31 174.414 174.351 0.063 1
1 336 . 16 1 1 A 31 31 LEU CA C 31 53.240 53.437 -0.197 1
1 337 . 16 1 1 A 31 31 LEU CB C 31 44.783 44.597 0.186 1
1 341 . 16 1 1 A 31 31 LEU N N 31 124.610 124.004 0.606 1
1 342 . 16 1 1 A 32 32 TRP H H 32 9.045 8.679 0.366 1
1 343 . 16 1 1 A 32 32 TRP HA H 32 5.499 5.530 -0.031 1
1 352 . 16 1 1 A 32 32 TRP C C 32 178.871 177.211 1.660 1
1 353 . 16 1 1 A 32 32 TRP CA C 32 55.552 56.181 -0.629 1
1 354 . 16 1 1 A 32 32 TRP CB C 32 32.346 31.861 0.485 1
1 360 . 16 1 1 A 32 32 TRP N N 32 128.500 127.157 1.343 1
1 362 . 16 1 1 A 33 33 LEU H H 33 9.246 9.204 0.042 1
1 363 . 16 1 1 A 33 33 LEU HA H 33 4.075 4.023 0.052 1
1 373 . 16 1 1 A 33 33 LEU C C 33 176.859 178.479 -1.620 1
1 374 . 16 1 1 A 33 33 LEU CA C 33 57.035 57.948 -0.913 1
1 375 . 16 1 1 A 33 33 LEU CB C 33 42.651 41.336 1.315 1
1 379 . 16 1 1 A 33 33 LEU N N 33 123.838 126.050 -2.212 1
1 380 . 16 1 1 A 34 34 ASP H H 34 7.536 8.038 -0.502 1
1 381 . 16 1 1 A 34 34 ASP HA H 34 4.395 4.580 -0.185 1
1 384 . 16 1 1 A 34 34 ASP C C 34 177.113 176.950 0.163 1
1 385 . 16 1 1 A 34 34 ASP CA C 34 53.805 54.158 -0.353 1
1 386 . 16 1 1 A 34 34 ASP CB C 34 39.625 41.254 -1.629 1
1 387 . 16 1 1 A 34 34 ASP N N 34 115.948 115.814 0.134 1
1 388 . 16 1 1 A 35 35 GLY H H 35 8.264 8.830 -0.566 1
1 389 . 16 1 1 A 35 35 GLY HA2 H 35 4.205 4.055 0.150 1
1 390 . 16 1 1 A 35 35 GLY HA3 H 35 3.895 4.083 -0.188 1
1 391 . 16 1 1 A 35 35 GLY C C 35 173.898 173.997 -0.099 1
1 392 . 16 1 1 A 35 35 GLY CA C 35 46.216 45.909 0.307 1
1 393 . 16 1 1 A 35 35 GLY N N 35 106.508 110.013 -3.505 1
1 394 . 16 1 1 A 36 36 THR H H 36 8.035 7.920 0.115 1
1 395 . 16 1 1 A 36 36 THR HA H 36 5.123 5.044 0.079 1
1 400 . 16 1 1 A 36 36 THR C C 36 170.669 173.164 -2.495 1
1 401 . 16 1 1 A 36 36 THR CA C 36 60.588 59.333 1.255 1
1 402 . 16 1 1 A 36 36 THR CB C 36 72.314 72.402 -0.088 1
1 404 . 16 1 1 A 36 36 THR N N 36 112.047 110.709 1.338 1
1 405 . 16 1 1 A 37 37 LEU H H 37 9.344 9.249 0.095 1
1 406 . 16 1 1 A 37 37 LEU HA H 37 5.616 5.021 0.595 1
1 416 . 16 1 1 A 37 37 LEU C C 37 175.787 174.834 0.953 1
1 417 . 16 1 1 A 37 37 LEU CA C 37 52.799 53.871 -1.072 1
1 418 . 16 1 1 A 37 37 LEU CB C 37 46.698 44.558 2.140 1
1 422 . 16 1 1 A 37 37 LEU N N 37 122.915 123.791 -0.876 1
1 423 . 16 1 1 A 38 38 GLY H H 38 9.685 8.867 0.818 1
1 424 . 16 1 1 A 38 38 GLY HA2 H 38 5.074 4.004 1.070 1
1 425 . 16 1 1 A 38 38 GLY HA3 H 38 3.825 4.284 -0.459 1
1 426 . 16 1 1 A 38 38 GLY C C 38 172.258 172.185 0.073 1
1 427 . 16 1 1 A 38 38 GLY CA C 38 43.676 44.147 -0.471 1
1 428 . 16 1 1 A 38 38 GLY N N 38 113.092 114.202 -1.110 1
1 429 . 16 1 1 A 39 39 TYR H H 39 7.362 7.502 -0.140 1
1 430 . 16 1 1 A 39 39 TYR HA H 39 5.251 5.910 -0.659 1
1 437 . 16 1 1 A 39 39 TYR C C 39 175.367 173.894 1.473 1
1 438 . 16 1 1 A 39 39 TYR CA C 39 54.282 55.129 -0.847 1
1 439 . 16 1 1 A 39 39 TYR CB C 39 37.774 40.720 -2.946 1
1 444 . 16 1 1 A 39 39 TYR N N 39 113.951 118.904 -4.953 1
1 445 . 16 1 1 A 40 40 TYR H H 40 9.315 9.286 0.029 1
1 446 . 16 1 1 A 40 40 TYR HA H 40 5.305 5.024 0.281 1
1 453 . 16 1 1 A 40 40 TYR C C 40 177.694 176.621 1.073 1
1 454 . 16 1 1 A 40 40 TYR CA C 40 57.185 56.798 0.387 1
1 455 . 16 1 1 A 40 40 TYR CB C 40 43.779 42.075 1.704 1
1 460 . 16 1 1 A 40 40 TYR N N 40 117.930 119.772 -1.842 1
1 461 . 16 1 1 A 41 41 HIS H H 41 8.658 8.894 -0.236 1
1 462 . 16 1 1 A 41 41 HIS HA H 41 4.654 4.294 0.360 1
1 467 . 16 1 1 A 41 41 HIS C C 41 174.858 175.542 -0.684 1
1 468 . 16 1 1 A 41 41 HIS CA C 41 59.159 59.131 0.028 1
1 469 . 16 1 1 A 41 41 HIS CB C 41 31.094 29.767 1.327 1
1 472 . 16 1 1 A 41 41 HIS N N 41 121.927 122.051 -0.124 1
1 473 . 16 1 1 A 42 42 ASP H H 42 8.095 7.938 0.157 1
1 474 . 16 1 1 A 42 42 ASP HA H 42 4.795 4.590 0.205 1
1 477 . 16 1 1 A 42 42 ASP C C 42 175.052 175.981 -0.929 1
1 478 . 16 1 1 A 42 42 ASP CA C 42 53.155 52.231 0.924 1
1 479 . 16 1 1 A 42 42 ASP CB C 42 41.860 44.367 -2.507 1
1 480 . 16 1 1 A 42 42 ASP N N 42 112.020 116.379 -4.359 1
1 481 . 16 1 1 A 43 43 GLU H H 43 8.899 8.434 0.465 1
1 482 . 16 1 1 A 43 43 GLU C C 43 176.336 177.016 -0.680 1
1 483 . 16 1 1 A 43 43 GLU CA C 43 57.021 59.357 -2.336 1
1 484 . 16 1 1 A 43 43 GLU CB C 43 27.493 28.863 -1.370 1
1 485 . 16 1 1 A 43 43 GLU N N 43 116.402 122.313 -5.911 1
1 486 . 16 1 1 A 44 44 THR H H 44 8.093 7.576 0.517 1
1 487 . 16 1 1 A 44 44 THR HA H 44 3.915 4.193 -0.278 1
1 492 . 16 1 1 A 44 44 THR CA C 44 63.143 61.637 1.506 1
1 493 . 16 1 1 A 44 44 THR CB C 44 69.620 67.992 1.628 1
1 495 . 16 1 1 A 44 44 THR N N 44 111.376 109.864 1.512 1
1 496 . 16 1 1 A 45 45 ALA H H 45 7.815 8.230 -0.415 1
1 497 . 16 1 1 A 45 45 ALA HA H 45 3.430 3.724 -0.294 1
1 501 . 16 1 1 A 45 45 ALA C C 45 175.091 176.405 -1.314 1
1 502 . 16 1 1 A 45 45 ALA CA C 45 53.434 51.600 1.834 1
1 503 . 16 1 1 A 45 45 ALA CB C 45 15.567 17.680 -2.113 1
1 504 . 16 1 1 A 46 46 GLN H H 46 7.869 8.482 -0.613 1
1 505 . 16 1 1 A 46 46 GLN HA H 46 4.238 4.600 -0.362 1
1 512 . 16 1 1 A 46 46 GLN C C 46 176.190 175.300 0.890 1
1 513 . 16 1 1 A 46 46 GLN CA C 46 56.929 56.806 0.123 1
1 514 . 16 1 1 A 46 46 GLN CB C 46 30.454 31.465 -1.011 1
1 516 . 16 1 1 A 46 46 GLN N N 46 115.953 123.566 -7.613 1
1 518 . 16 1 1 A 47 47 ASP H H 47 8.326 7.981 0.345 1
1 519 . 16 1 1 A 47 47 ASP HA H 47 4.954 4.701 0.253 1
1 522 . 16 1 1 A 47 47 ASP C C 47 173.846 175.337 -1.491 1
1 523 . 16 1 1 A 47 47 ASP CA C 47 52.993 52.866 0.127 1
1 524 . 16 1 1 A 47 47 ASP CB C 47 41.558 38.907 2.651 1
1 525 . 16 1 1 A 47 47 ASP N N 47 119.830 119.650 0.180 1
1 526 . 16 1 1 A 48 48 GLU H H 48 8.756 8.378 0.378 1
1 527 . 16 1 1 A 48 48 GLU HA H 48 3.785 3.919 -0.134 1
1 532 . 16 1 1 A 48 48 GLU C C 48 175.892 176.638 -0.746 1
1 533 . 16 1 1 A 48 48 GLU CA C 48 56.470 56.736 -0.266 1
1 534 . 16 1 1 A 48 48 GLU CB C 48 32.264 30.317 1.947 1
1 536 . 16 1 1 A 48 48 GLU N N 48 125.923 124.789 1.134 1
1 537 . 16 1 1 A 49 49 GLU H H 49 8.945 8.723 0.222 1
1 538 . 16 1 1 A 49 49 GLU HA H 49 4.164 4.269 -0.105 1
1 543 . 16 1 1 A 49 49 GLU C C 49 176.040 175.543 0.497 1
1 544 . 16 1 1 A 49 49 GLU CA C 49 58.447 58.231 0.216 1
1 545 . 16 1 1 A 49 49 GLU CB C 49 30.207 30.785 -0.578 1
1 547 . 16 1 1 A 49 49 GLU N N 49 129.751 128.084 1.667 1
1 548 . 16 1 1 A 50 50 ASP H H 50 6.736 7.147 -0.411 1
1 549 . 16 1 1 A 50 50 ASP HA H 50 4.355 4.859 -0.504 1
1 552 . 16 1 1 A 50 50 ASP C C 50 172.562 173.388 -0.826 1
1 553 . 16 1 1 A 50 50 ASP CA C 50 52.729 53.201 -0.472 1
1 554 . 16 1 1 A 50 50 ASP CB C 50 43.737 44.270 -0.533 1
1 555 . 16 1 1 A 50 50 ASP N N 50 113.574 116.452 -2.878 1
1 556 . 16 1 1 A 51 51 ARG H H 51 8.532 8.587 -0.055 1
1 557 . 16 1 1 A 51 51 ARG HA H 51 5.005 4.852 0.153 1
1 565 . 16 1 1 A 51 51 ARG C C 51 174.656 174.349 0.307 1
1 566 . 16 1 1 A 51 51 ARG CA C 51 55.605 55.493 0.112 1
1 567 . 16 1 1 A 51 51 ARG CB C 51 33.520 34.103 -0.583 1
1 570 . 16 1 1 A 51 51 ARG N N 51 117.888 122.111 -4.223 1
1 572 . 16 1 1 A 52 52 VAL H H 52 9.155 9.242 -0.087 1
1 573 . 16 1 1 A 52 52 VAL HA H 52 4.616 5.051 -0.435 1
1 581 . 16 1 1 A 52 52 VAL C C 52 174.710 174.936 -0.226 1
1 582 . 16 1 1 A 52 52 VAL CA C 52 59.382 59.955 -0.573 1
1 583 . 16 1 1 A 52 52 VAL CB C 52 35.266 34.545 0.721 1
1 586 . 16 1 1 A 52 52 VAL N N 52 121.629 121.317 0.312 1
1 587 . 16 1 1 A 53 53 VAL H H 53 8.956 8.940 0.016 1
1 588 . 16 1 1 A 53 53 VAL HA H 53 3.745 4.318 -0.573 1
1 596 . 16 1 1 A 53 53 VAL C C 53 174.610 175.571 -0.961 1
1 597 . 16 1 1 A 53 53 VAL CA C 53 64.676 62.205 2.471 1
1 598 . 16 1 1 A 53 53 VAL CB C 53 32.305 32.781 -0.476 1
1 601 . 16 1 1 A 53 53 VAL N N 53 125.547 122.418 3.129 1
1 602 . 16 1 1 A 54 54 ILE H H 54 8.705 9.050 -0.345 1
1 603 . 16 1 1 A 54 54 ILE HA H 54 4.324 4.260 0.064 1
1 613 . 16 1 1 A 54 54 ILE C C 54 176.747 176.397 0.350 1
1 614 . 16 1 1 A 54 54 ILE CA C 54 58.623 62.969 -4.346 1
1 615 . 16 1 1 A 54 54 ILE CB C 54 36.787 39.402 -2.615 1
1 619 . 16 1 1 A 54 54 ILE N N 54 126.147 126.277 -0.130 1
1 620 . 16 1 1 A 55 55 HIS H H 55 7.913 7.903 0.010 1
1 621 . 16 1 1 A 55 55 HIS HA H 55 4.626 4.269 0.357 1
1 626 . 16 1 1 A 55 55 HIS C C 55 174.365 175.717 -1.352 1
1 627 . 16 1 1 A 55 55 HIS CA C 55 57.917 57.235 0.682 1
1 628 . 16 1 1 A 55 55 HIS CB C 55 29.796 29.676 0.120 1
1 631 . 16 1 1 A 55 55 HIS N N 55 119.790 122.881 -3.091 1
1 632 . 16 1 1 A 56 56 PHE H H 56 9.382 8.482 0.900 1
1 633 . 16 1 1 A 56 56 PHE HA H 56 4.225 4.281 -0.056 1
1 641 . 16 1 1 A 56 56 PHE C C 56 175.781 175.171 0.610 1
1 642 . 16 1 1 A 56 56 PHE CA C 56 57.593 58.414 -0.821 1
1 643 . 16 1 1 A 56 56 PHE CB C 56 36.664 36.093 0.571 1
1 649 . 16 1 1 A 56 56 PHE N N 56 124.614 122.910 1.704 1
1 650 . 16 1 1 A 57 57 ASN H H 57 8.755 8.004 0.751 1
1 651 . 16 1 1 A 57 57 ASN HA H 57 5.319 5.032 0.287 1
1 656 . 16 1 1 A 57 57 ASN C C 57 175.317 175.316 0.001 1
1 657 . 16 1 1 A 57 57 ASN CA C 57 52.129 52.932 -0.803 1
1 658 . 16 1 1 A 57 57 ASN CB C 57 41.640 40.654 0.986 1
1 659 . 16 1 1 A 57 57 ASN N N 57 114.893 116.230 -1.337 1
1 661 . 16 1 1 A 58 58 VAL H H 58 8.606 7.564 1.042 1
1 662 . 16 1 1 A 58 58 VAL HA H 58 4.138 4.622 -0.484 1
1 670 . 16 1 1 A 58 58 VAL C C 58 175.486 176.046 -0.560 1
1 671 . 16 1 1 A 58 58 VAL CA C 58 63.035 62.499 0.536 1
1 672 . 16 1 1 A 58 58 VAL CB C 58 32.733 30.529 2.204 1
1 675 . 16 1 1 A 58 58 VAL N N 58 121.476 120.369 1.107 1
1 676 . 16 1 1 A 59 59 ARG H H 59 9.233 8.706 0.527 1
1 677 . 16 1 1 A 59 59 ARG HA H 59 4.184 4.151 0.033 1
1 684 . 16 1 1 A 59 59 ARG C C 59 175.572 175.428 0.144 1
1 685 . 16 1 1 A 59 59 ARG CA C 59 58.093 57.786 0.307 1
1 686 . 16 1 1 A 59 59 ARG CB C 59 31.236 31.055 0.181 1
1 689 . 16 1 1 A 59 59 ARG N N 59 128.965 129.961 -0.996 1
1 690 . 16 1 1 A 60 60 ASP H H 60 7.745 7.837 -0.092 1
1 691 . 16 1 1 A 60 60 ASP HA H 60 4.485 5.130 -0.645 1
1 694 . 16 1 1 A 60 60 ASP C C 60 173.047 174.230 -1.183 1
1 695 . 16 1 1 A 60 60 ASP CA C 60 53.911 53.306 0.605 1
1 696 . 16 1 1 A 60 60 ASP CB C 60 42.874 45.014 -2.140 1
1 697 . 16 1 1 A 60 60 ASP N N 60 113.170 116.409 -3.239 1
1 698 . 16 1 1 A 61 61 ILE H H 61 8.398 8.595 -0.197 1
1 699 . 16 1 1 A 61 61 ILE HA H 61 5.055 5.113 -0.058 1
1 709 . 16 1 1 A 61 61 ILE C C 61 174.897 174.397 0.500 1
1 710 . 16 1 1 A 61 61 ILE CA C 61 60.511 60.564 -0.053 1
1 711 . 16 1 1 A 61 61 ILE CB C 61 41.558 40.951 0.607 1
1 715 . 16 1 1 A 61 61 ILE N N 61 118.375 120.744 -2.369 1
1 716 . 16 1 1 A 62 62 LYS H H 62 8.619 8.778 -0.159 1
1 717 . 16 1 1 A 62 62 LYS HA H 62 4.711 4.992 -0.281 1
1 726 . 16 1 1 A 62 62 LYS C C 62 174.636 175.780 -1.144 1
1 727 . 16 1 1 A 62 62 LYS CA C 62 53.947 55.357 -1.410 1
1 728 . 16 1 1 A 62 62 LYS CB C 62 35.677 34.653 1.024 1
1 732 . 16 1 1 A 62 62 LYS N N 62 128.701 127.107 1.594 1
1 733 . 16 1 1 A 63 63 VAL H H 63 8.946 8.808 0.138 1
1 734 . 16 1 1 A 63 63 VAL HA H 63 5.073 4.756 0.317 1
1 742 . 16 1 1 A 63 63 VAL C C 63 177.772 176.283 1.489 1
1 743 . 16 1 1 A 63 63 VAL CA C 63 59.734 60.946 -1.212 1
1 744 . 16 1 1 A 63 63 VAL CB C 63 36.210 34.535 1.675 1
1 747 . 16 1 1 A 63 63 VAL N N 63 120.053 122.927 -2.874 1
1 748 . 16 1 1 A 64 64 GLY H H 64 9.804 8.789 1.015 1
1 749 . 16 1 1 A 64 64 GLY HA2 H 64 4.415 3.962 0.453 1
1 750 . 16 1 1 A 64 64 GLY HA3 H 64 3.906 3.962 -0.056 1
1 751 . 16 1 1 A 64 64 GLY C C 64 176.864 175.227 1.637 1
1 752 . 16 1 1 A 64 64 GLY CA C 64 47.063 47.094 -0.031 1
1 753 . 16 1 1 A 64 64 GLY N N 64 118.354 114.406 3.948 1
1 754 . 16 1 1 A 65 65 GLN H H 65 9.045 8.822 0.223 1
1 755 . 16 1 1 A 65 65 GLN HA H 65 3.944 4.037 -0.093 1
1 762 . 16 1 1 A 65 65 GLN C C 65 176.698 177.791 -1.093 1
1 763 . 16 1 1 A 65 65 GLN CA C 65 57.793 59.223 -1.430 1
1 764 . 16 1 1 A 65 65 GLN CB C 65 27.822 28.743 -0.921 1
1 766 . 16 1 1 A 65 65 GLN N N 65 124.600 124.924 -0.324 1
1 768 . 16 1 1 A 66 66 GLU H H 66 7.886 7.737 0.149 1
1 769 . 16 1 1 A 66 66 GLU HA H 66 4.145 4.053 0.092 1
1 774 . 16 1 1 A 66 66 GLU C C 66 178.049 176.889 1.160 1
1 775 . 16 1 1 A 66 66 GLU CA C 66 57.564 59.473 -1.909 1
1 776 . 16 1 1 A 66 66 GLU CB C 66 31.236 29.278 1.958 1
1 778 . 16 1 1 A 66 66 GLU N N 66 116.486 117.539 -1.053 1
1 779 . 16 1 1 A 67 67 CYS H H 67 8.015 7.872 0.143 1
1 780 . 16 1 1 A 67 67 CYS HA H 67 4.331 4.284 0.047 1
1 783 . 16 1 1 A 67 67 CYS C C 67 175.278 174.157 1.121 1
1 784 . 16 1 1 A 67 67 CYS CA C 67 58.817 60.098 -1.281 1
1 785 . 16 1 1 A 67 67 CYS CB C 67 26.342 28.389 -2.047 1
1 786 . 16 1 1 A 67 67 CYS N N 67 119.526 118.348 1.178 1
1 787 . 16 1 1 A 68 68 GLN H H 68 7.983 8.974 -0.991 1
1 788 . 16 1 1 A 68 68 GLN HA H 68 4.199 4.593 -0.394 1
1 795 . 16 1 1 A 68 68 GLN C C 68 175.866 176.324 -0.458 1
1 796 . 16 1 1 A 68 68 GLN CA C 68 56.399 56.682 -0.283 1
1 797 . 16 1 1 A 68 68 GLN CB C 68 29.837 31.319 -1.482 1
1 799 . 16 1 1 A 68 68 GLN N N 68 120.826 121.152 -0.326 1
1 801 . 16 1 1 A 69 69 ASP H H 69 8.755 8.694 0.061 1
1 802 . 16 1 1 A 69 69 ASP HA H 69 4.395 4.776 -0.381 1
1 805 . 16 1 1 A 69 69 ASP C C 69 174.652 174.394 0.258 1
1 806 . 16 1 1 A 69 69 ASP CA C 69 54.546 53.923 0.623 1
1 807 . 16 1 1 A 69 69 ASP CB C 69 39.954 41.358 -1.404 1
1 808 . 16 1 1 A 69 69 ASP N N 69 117.691 118.142 -0.451 1
1 809 . 16 1 1 A 70 70 VAL H H 70 7.245 7.619 -0.374 1
1 810 . 16 1 1 A 70 70 VAL HA H 70 4.173 4.856 -0.683 1
1 818 . 16 1 1 A 70 70 VAL C C 70 173.502 173.734 -0.232 1
1 819 . 16 1 1 A 70 70 VAL CA C 70 60.502 59.982 0.520 1
1 820 . 16 1 1 A 70 70 VAL CB C 70 34.397 35.354 -0.957 1
1 823 . 16 1 1 A 70 70 VAL N N 70 116.632 119.894 -3.262 1
1 824 . 16 1 1 A 71 71 GLN H H 71 8.513 9.086 -0.573 1
1 825 . 16 1 1 A 71 71 GLN HA H 71 4.758 5.088 -0.330 1
1 832 . 16 1 1 A 71 71 GLN C C 71 173.404 174.118 -0.714 1
1 833 . 16 1 1 A 71 71 GLN CA C 71 52.093 53.127 -1.034 1
1 834 . 16 1 1 A 71 71 GLN CB C 71 29.467 31.339 -1.872 1
1 836 . 16 1 1 A 71 71 GLN N N 71 125.361 127.350 -1.989 1
1 838 . 16 1 1 A 72 72 PRO HA H 72 3.955 4.390 -0.435 1
1 845 . 16 1 1 A 72 72 PRO CA C 72 61.219 61.483 -0.264 1
1 846 . 16 1 1 A 72 72 PRO CB C 72 30.548 31.494 -0.946 1
1 849 . 16 1 1 A 73 73 PRO HA H 73 3.584 4.492 -0.908 1
1 856 . 16 1 1 A 73 73 PRO C C 73 175.005 175.758 -0.753 1
1 857 . 16 1 1 A 73 73 PRO CA C 73 61.764 61.987 -0.223 1
1 858 . 16 1 1 A 73 73 PRO CB C 73 30.080 32.508 -2.428 1
1 861 . 16 1 1 A 74 74 GLU H H 74 8.066 8.380 -0.314 1
1 862 . 16 1 1 A 74 74 GLU HA H 74 3.766 4.048 -0.282 1
1 867 . 16 1 1 A 74 74 GLU C C 74 177.415 176.928 0.487 1
1 868 . 16 1 1 A 74 74 GLU CA C 74 58.005 57.392 0.613 1
1 869 . 16 1 1 A 74 74 GLU CB C 74 29.340 29.842 -0.502 1
1 871 . 16 1 1 A 74 74 GLU N N 74 120.425 121.785 -1.360 1
1 872 . 16 1 1 A 75 75 GLY H H 75 8.576 8.782 -0.206 1
1 873 . 16 1 1 A 75 75 GLY HA2 H 75 4.024 3.924 0.100 1
1 874 . 16 1 1 A 75 75 GLY HA3 H 75 3.568 3.946 -0.378 1
1 875 . 16 1 1 A 75 75 GLY C C 75 174.093 174.806 -0.713 1
1 876 . 16 1 1 A 75 75 GLY CA C 75 45.299 45.032 0.267 1
1 877 . 16 1 1 A 75 75 GLY N N 75 112.779 114.769 -1.990 1
1 878 . 16 1 1 A 76 76 ARG H H 76 7.791 7.694 0.097 1
1 879 . 16 1 1 A 76 76 ARG HA H 76 4.444 4.274 0.170 1
1 887 . 16 1 1 A 76 76 ARG C C 76 175.188 174.572 0.616 1
1 888 . 16 1 1 A 76 76 ARG CA C 76 54.617 56.184 -1.567 1
1 889 . 16 1 1 A 76 76 ARG CB C 76 31.030 31.757 -0.727 1
1 892 . 16 1 1 A 76 76 ARG N N 76 121.088 121.294 -0.206 1
1 894 . 16 1 1 A 77 77 SER H H 77 8.235 8.171 0.064 1
1 895 . 16 1 1 A 77 77 SER HA H 77 4.405 4.827 -0.422 1
1 898 . 16 1 1 A 77 77 SER C C 77 176.069 175.321 0.748 1
1 899 . 16 1 1 A 77 77 SER CA C 77 56.805 55.920 0.885 1
1 900 . 16 1 1 A 77 77 SER CB C 77 64.136 65.255 -1.119 1
1 901 . 16 1 1 A 77 77 SER N N 77 113.991 115.941 -1.950 1
1 902 . 16 1 1 A 78 78 ARG H H 78 8.745 9.017 -0.272 1
1 903 . 16 1 1 A 78 78 ARG HA H 78 3.774 4.175 -0.401 1
1 909 . 16 1 1 A 78 78 ARG C C 78 176.758 177.298 -0.540 1
1 910 . 16 1 1 A 78 78 ARG CA C 78 58.341 58.455 -0.114 1
1 911 . 16 1 1 A 78 78 ARG CB C 78 30.043 29.965 0.078 1
1 914 . 16 1 1 A 78 78 ARG N N 78 122.262 127.136 -4.874 1
1 915 . 16 1 1 A 79 79 ASP H H 79 8.106 8.114 -0.008 1
1 916 . 16 1 1 A 79 79 ASP HA H 79 4.175 4.403 -0.228 1
1 919 . 16 1 1 A 79 79 ASP C C 79 175.579 178.098 -2.519 1
1 920 . 16 1 1 A 79 79 ASP CA C 79 57.159 56.250 0.909 1
1 921 . 16 1 1 A 79 79 ASP CB C 79 40.900 40.921 -0.021 1
1 922 . 16 1 1 A 79 79 ASP N N 79 115.963 118.742 -2.779 1
1 923 . 16 1 1 A 80 80 GLY H H 80 7.305 8.248 -0.943 1
1 924 . 16 1 1 A 80 80 GLY HA2 H 80 4.047 3.943 0.104 1
1 925 . 16 1 1 A 80 80 GLY HA3 H 80 3.387 3.967 -0.580 1
1 926 . 16 1 1 A 80 80 GLY C C 80 174.263 174.420 -0.157 1
1 927 . 16 1 1 A 80 80 GLY CA C 80 44.276 45.374 -1.098 1
1 928 . 16 1 1 A 80 80 GLY N N 80 101.592 107.317 -5.725 1
1 929 . 16 1 1 A 81 81 LEU H H 81 7.307 7.284 0.023 1
1 930 . 16 1 1 A 81 81 LEU HA H 81 4.494 4.156 0.338 1
1 940 . 16 1 1 A 81 81 LEU C C 81 176.212 176.473 -0.261 1
1 941 . 16 1 1 A 81 81 LEU CA C 81 56.346 55.910 0.436 1
1 942 . 16 1 1 A 81 81 LEU CB C 81 44.025 42.307 1.718 1
1 946 . 16 1 1 A 81 81 LEU N N 81 121.062 121.680 -0.618 1
1 947 . 16 1 1 A 82 82 LEU H H 82 8.286 8.522 -0.236 1
1 948 . 16 1 1 A 82 82 LEU HA H 82 5.260 5.024 0.236 1
1 958 . 16 1 1 A 82 82 LEU C C 82 175.122 174.549 0.573 1
1 959 . 16 1 1 A 82 82 LEU CA C 82 55.334 54.680 0.654 1
1 960 . 16 1 1 A 82 82 LEU CB C 82 46.064 45.444 0.620 1
1 964 . 16 1 1 A 82 82 LEU N N 82 118.524 123.356 -4.832 1
1 965 . 16 1 1 A 83 83 THR H H 83 9.095 9.172 -0.077 1
1 966 . 16 1 1 A 83 83 THR HA H 83 5.305 5.369 -0.064 1
1 971 . 16 1 1 A 83 83 THR C C 83 173.754 173.289 0.465 1
1 972 . 16 1 1 A 83 83 THR CA C 83 61.076 61.559 -0.483 1
1 973 . 16 1 1 A 83 83 THR CB C 83 71.268 70.719 0.549 1
1 975 . 16 1 1 A 83 83 THR N N 83 120.894 122.720 -1.826 1
1 976 . 16 1 1 A 84 84 VAL H H 84 9.175 8.826 0.349 1
1 977 . 16 1 1 A 84 84 VAL HA H 84 4.205 4.567 -0.362 1
1 985 . 16 1 1 A 84 84 VAL C C 84 173.741 174.576 -0.835 1
1 986 . 16 1 1 A 84 84 VAL CA C 84 61.182 60.910 0.272 1
1 987 . 16 1 1 A 84 84 VAL CB C 84 32.921 34.222 -1.301 1
1 990 . 16 1 1 A 84 84 VAL N N 84 127.342 127.252 0.090 1
1 991 . 16 1 1 A 85 85 ASN H H 85 8.597 8.862 -0.265 1
1 992 . 16 1 1 A 85 85 ASN HA H 85 4.960 5.236 -0.276 1
1 997 . 16 1 1 A 85 85 ASN C C 85 174.440 174.235 0.205 1
1 998 . 16 1 1 A 85 85 ASN CA C 85 52.870 52.664 0.206 1
1 999 . 16 1 1 A 85 85 ASN CB C 85 39.214 40.472 -1.258 1
1 1000 . 16 1 1 A 85 85 ASN N N 85 125.999 125.825 0.174 1
1 1002 . 16 1 1 A 86 86 LEU H H 86 8.283 8.915 -0.632 1
1 1003 . 16 1 1 A 86 86 LEU HA H 86 5.176 5.278 -0.102 1
1 1013 . 16 1 1 A 86 86 LEU C C 86 178.644 177.344 1.300 1
1 1014 . 16 1 1 A 86 86 LEU CA C 86 53.700 53.348 0.352 1
1 1015 . 16 1 1 A 86 86 LEU CB C 86 42.298 44.239 -1.941 1
1 1019 . 16 1 1 A 86 86 LEU N N 86 125.763 124.159 1.604 1
1 1020 . 16 1 1 A 87 87 ARG H H 87 8.655 9.048 -0.393 1
1 1021 . 16 1 1 A 87 87 ARG HA H 87 3.905 3.972 -0.067 1
1 1028 . 16 1 1 A 87 87 ARG C C 87 177.223 177.850 -0.627 1
1 1029 . 16 1 1 A 87 87 ARG CA C 87 59.717 59.885 -0.168 1
1 1030 . 16 1 1 A 87 87 ARG CB C 87 29.280 29.976 -0.696 1
1 1033 . 16 1 1 A 87 87 ARG N N 87 123.105 123.271 -0.166 1
1 1034 . 16 1 1 A 88 88 GLU H H 88 8.525 8.048 0.477 1
1 1035 . 16 1 1 A 88 88 GLU HA H 88 4.515 4.199 0.316 1
1 1040 . 16 1 1 A 88 88 GLU C C 88 175.762 176.974 -1.212 1
1 1041 . 16 1 1 A 88 88 GLU CA C 88 55.852 57.447 -1.595 1
1 1042 . 16 1 1 A 88 88 GLU CB C 88 30.249 29.999 0.250 1
1 1044 . 16 1 1 A 88 88 GLU N N 88 117.722 115.931 1.791 1
1 1045 . 16 1 1 A 89 89 GLY H H 89 8.063 8.280 -0.217 1
1 1046 . 16 1 1 A 89 89 GLY HA2 H 89 3.735 4.054 -0.319 1
1 1047 . 16 1 1 A 89 89 GLY HA3 H 89 4.536 4.054 0.482 1
1 1048 . 16 1 1 A 89 89 GLY C C 89 173.864 173.604 0.260 1
1 1049 . 16 1 1 A 89 89 GLY CA C 89 44.222 45.264 -1.042 1
1 1050 . 16 1 1 A 89 89 GLY N N 89 110.616 109.707 0.909 1
1 1051 . 16 1 1 A 90 90 SER H H 90 8.094 7.248 0.846 1
1 1052 . 16 1 1 A 90 90 SER HA H 90 4.484 5.083 -0.599 1
1 1055 . 16 1 1 A 90 90 SER C C 90 172.813 173.358 -0.545 1
1 1056 . 16 1 1 A 90 90 SER CA C 90 58.552 56.310 2.242 1
1 1057 . 16 1 1 A 90 90 SER CB C 90 63.915 66.937 -3.022 1
1 1058 . 16 1 1 A 90 90 SER N N 90 116.620 112.095 4.525 1
1 1059 . 16 1 1 A 91 91 ARG H H 91 8.285 8.747 -0.462 1
1 1060 . 16 1 1 A 91 91 ARG HA H 91 4.725 5.289 -0.564 1
1 1067 . 16 1 1 A 91 91 ARG C C 91 175.511 174.921 0.590 1
1 1068 . 16 1 1 A 91 91 ARG CA C 91 55.870 54.661 1.209 1
1 1069 . 16 1 1 A 91 91 ARG CB C 91 32.058 33.370 -1.312 1
1 1072 . 16 1 1 A 91 91 ARG N N 91 121.045 121.137 -0.092 1
1 1073 . 16 1 1 A 92 92 LEU H H 92 8.485 9.430 -0.945 1
1 1074 . 16 1 1 A 92 92 LEU HA H 92 4.555 4.746 -0.191 1
1 1084 . 16 1 1 A 92 92 LEU C C 92 174.815 175.714 -0.899 1
1 1085 . 16 1 1 A 92 92 LEU CA C 92 53.629 53.445 0.184 1
1 1086 . 16 1 1 A 92 92 LEU CB C 92 44.066 42.735 1.331 1
1 1090 . 16 1 1 A 92 92 LEU N N 92 123.633 124.228 -0.595 1
1 1091 . 16 1 1 A 93 93 HIS H H 93 8.871 9.067 -0.196 1
1 1092 . 16 1 1 A 93 93 HIS HA H 93 5.135 4.921 0.214 1
1 1097 . 16 1 1 A 93 93 HIS C C 93 173.251 174.952 -1.701 1
1 1098 . 16 1 1 A 93 93 HIS CA C 93 56.135 56.237 -0.102 1
1 1099 . 16 1 1 A 93 93 HIS CB C 93 30.701 29.121 1.580 1
1 1101 . 16 1 1 A 93 93 HIS N N 93 124.492 124.001 0.491 1
1 1102 . 16 1 1 A 94 94 LEU H H 94 9.105 9.245 -0.140 1
1 1103 . 16 1 1 A 94 94 LEU HA H 94 5.940 5.629 0.311 1
1 1113 . 16 1 1 A 94 94 LEU C C 94 177.396 175.686 1.710 1
1 1114 . 16 1 1 A 94 94 LEU CA C 94 52.552 53.461 -0.909 1
1 1115 . 16 1 1 A 94 94 LEU CB C 94 45.465 46.446 -0.981 1
1 1119 . 16 1 1 A 94 94 LEU N N 94 122.911 124.891 -1.980 1
1 1120 . 16 1 1 A 95 95 CYS H H 95 8.953 8.424 0.529 1
1 1121 . 16 1 1 A 95 95 CYS HA H 95 4.863 4.871 -0.008 1
1 1124 . 16 1 1 A 95 95 CYS C C 95 172.585 173.708 -1.123 1
1 1125 . 16 1 1 A 95 95 CYS CA C 95 59.964 57.791 2.173 1
1 1126 . 16 1 1 A 95 95 CYS CB C 95 29.220 30.859 -1.639 1
1 1127 . 16 1 1 A 95 95 CYS N N 95 118.920 119.445 -0.525 1
1 1128 . 16 1 1 A 96 96 ALA H H 96 9.465 8.575 0.890 1
1 1129 . 16 1 1 A 96 96 ALA HA H 96 5.035 4.708 0.327 1
1 1133 . 16 1 1 A 96 96 ALA C C 96 177.396 178.232 -0.836 1
1 1134 . 16 1 1 A 96 96 ALA CA C 96 50.205 51.120 -0.915 1
1 1135 . 16 1 1 A 96 96 ALA CB C 96 21.571 20.455 1.116 1
1 1136 . 16 1 1 A 96 96 ALA N N 96 132.924 128.699 4.225 1
1 1137 . 16 1 1 A 97 97 GLU H H 97 9.636 8.754 0.882 1
1 1138 . 16 1 1 A 97 97 GLU HA H 97 4.344 4.372 -0.028 1
1 1143 . 16 1 1 A 97 97 GLU C C 97 176.882 176.692 0.190 1
1 1144 . 16 1 1 A 97 97 GLU CA C 97 58.040 58.878 -0.838 1
1 1145 . 16 1 1 A 97 97 GLU CB C 97 30.207 31.181 -0.974 1
1 1147 . 16 1 1 A 97 97 GLU N N 97 116.636 118.423 -1.787 1
1 1148 . 16 1 1 A 98 98 THR H H 98 7.155 7.717 -0.562 1
1 1149 . 16 1 1 A 98 98 THR HA H 98 4.684 4.640 0.044 1
1 1154 . 16 1 1 A 98 98 THR C C 98 174.259 174.671 -0.412 1
1 1155 . 16 1 1 A 98 98 THR CA C 98 58.323 59.825 -1.502 1
1 1156 . 16 1 1 A 98 98 THR CB C 98 73.529 72.696 0.833 1
1 1158 . 16 1 1 A 98 98 THR N N 98 102.167 111.333 -9.166 1
1 1159 . 16 1 1 A 99 99 ARG H H 99 9.025 8.919 0.106 1
1 1160 . 16 1 1 A 99 99 ARG HA H 99 4.056 4.071 -0.015 1
1 1167 . 16 1 1 A 99 99 ARG C C 99 177.995 178.031 -0.036 1
1 1168 . 16 1 1 A 99 99 ARG CA C 99 59.029 57.931 1.098 1
1 1169 . 16 1 1 A 99 99 ARG CB C 99 30.208 29.612 0.596 1
1 1172 . 16 1 1 A 99 99 ARG N N 99 122.747 120.311 2.436 1
1 1173 . 16 1 1 A 100 100 ASP H H 100 8.387 7.959 0.428 1
1 1174 . 16 1 1 A 100 100 ASP HA H 100 4.306 4.438 -0.132 1
1 1177 . 16 1 1 A 100 100 ASP C C 100 179.110 177.951 1.159 1
1 1178 . 16 1 1 A 100 100 ASP CA C 100 57.475 56.843 0.632 1
1 1179 . 16 1 1 A 100 100 ASP CB C 100 40.201 41.236 -1.035 1
1 1180 . 16 1 1 A 100 100 ASP N N 100 116.422 120.312 -3.890 1
1 1181 . 16 1 1 A 101 101 ASP H H 101 8.046 7.862 0.184 1
1 1182 . 16 1 1 A 101 101 ASP HA H 101 4.576 4.311 0.265 1
1 1185 . 16 1 1 A 101 101 ASP C C 101 177.751 178.822 -1.071 1
1 1186 . 16 1 1 A 101 101 ASP CA C 101 57.229 57.166 0.063 1
1 1187 . 16 1 1 A 101 101 ASP CB C 101 42.093 40.196 1.897 1
1 1188 . 16 1 1 A 101 101 ASP N N 101 120.742 119.604 1.138 1
1 1189 . 16 1 1 A 102 102 ALA H H 102 7.674 7.552 0.122 1
1 1190 . 16 1 1 A 102 102 ALA HA H 102 4.084 4.198 -0.114 1
1 1194 . 16 1 1 A 102 102 ALA C C 102 179.609 179.903 -0.294 1
1 1195 . 16 1 1 A 102 102 ALA CA C 102 56.364 55.248 1.116 1
1 1196 . 16 1 1 A 102 102 ALA CB C 102 17.952 18.665 -0.713 1
1 1197 . 16 1 1 A 102 102 ALA N N 102 122.523 122.439 0.084 1
1 1198 . 16 1 1 A 103 103 ILE H H 103 8.499 8.150 0.349 1
1 1199 . 16 1 1 A 103 103 ILE HA H 103 3.681 3.716 -0.035 1
1 1209 . 16 1 1 A 103 103 ILE C C 103 178.622 178.350 0.272 1
1 1210 . 16 1 1 A 103 103 ILE CA C 103 64.182 65.350 -1.168 1
1 1211 . 16 1 1 A 103 103 ILE CB C 103 37.240 37.673 -0.433 1
1 1215 . 16 1 1 A 103 103 ILE N N 103 117.417 118.160 -0.743 1
1 1216 . 16 1 1 A 104 104 ALA H H 104 8.174 8.072 0.102 1
1 1217 . 16 1 1 A 104 104 ALA HA H 104 4.095 3.968 0.127 1
1 1221 . 16 1 1 A 104 104 ALA C C 104 181.998 180.053 1.945 1
1 1222 . 16 1 1 A 104 104 ALA CA C 104 55.517 55.293 0.224 1
1 1223 . 16 1 1 A 104 104 ALA CB C 104 17.294 18.421 -1.127 1
1 1224 . 16 1 1 A 104 104 ALA N N 104 124.916 121.787 3.129 1
1 1225 . 16 1 1 A 105 105 TRP H H 105 8.365 7.934 0.431 1
1 1226 . 16 1 1 A 105 105 TRP HA H 105 4.025 4.440 -0.415 1
1 1235 . 16 1 1 A 105 105 TRP C C 105 177.969 178.773 -0.804 1
1 1236 . 16 1 1 A 105 105 TRP CA C 105 62.011 59.904 2.107 1
1 1237 . 16 1 1 A 105 105 TRP CB C 105 29.179 28.863 0.316 1
1 1243 . 16 1 1 A 105 105 TRP N N 105 119.726 118.121 1.605 1
1 1245 . 16 1 1 A 106 106 LYS H H 106 8.746 8.054 0.692 1
1 1246 . 16 1 1 A 106 106 LYS HA H 106 3.805 4.148 -0.343 1
1 1255 . 16 1 1 A 106 106 LYS C C 106 177.626 179.030 -1.404 1
1 1256 . 16 1 1 A 106 106 LYS CA C 106 60.865 59.499 1.366 1
1 1257 . 16 1 1 A 106 106 LYS CB C 106 31.606 32.142 -0.536 1
1 1261 . 16 1 1 A 106 106 LYS N N 106 120.565 120.327 0.238 1
1 1262 . 16 1 1 A 107 107 THR H H 107 8.714 7.989 0.725 1
1 1263 . 16 1 1 A 107 107 THR HA H 107 3.774 3.861 -0.087 1
1 1268 . 16 1 1 A 107 107 THR C C 107 176.238 176.357 -0.119 1
1 1269 . 16 1 1 A 107 107 THR CA C 107 66.688 66.719 -0.031 1
1 1270 . 16 1 1 A 107 107 THR CB C 107 69.065 68.612 0.453 1
1 1272 . 16 1 1 A 107 107 THR N N 107 115.018 118.217 -3.199 1
1 1273 . 16 1 1 A 108 108 ALA H H 108 7.769 8.063 -0.294 1
1 1274 . 16 1 1 A 108 108 ALA HA H 108 4.094 4.062 0.032 1
1 1278 . 16 1 1 A 108 108 ALA C C 108 180.611 179.702 0.909 1
1 1279 . 16 1 1 A 108 108 ALA CA C 108 55.005 54.704 0.301 1
1 1280 . 16 1 1 A 108 108 ALA CB C 108 18.015 18.067 -0.052 1
1 1281 . 16 1 1 A 108 108 ALA N N 108 123.150 123.581 -0.431 1
1 1282 . 16 1 1 A 109 109 LEU H H 109 8.795 7.904 0.891 1
1 1283 . 16 1 1 A 109 109 LEU HA H 109 4.045 4.189 -0.144 1
1 1293 . 16 1 1 A 109 109 LEU C C 109 178.758 179.097 -0.339 1
1 1294 . 16 1 1 A 109 109 LEU CA C 109 58.093 57.461 0.632 1
1 1295 . 16 1 1 A 109 109 LEU CB C 109 42.298 42.099 0.199 1
1 1299 . 16 1 1 A 109 109 LEU N N 109 118.714 119.290 -0.576 1
1 1300 . 16 1 1 A 110 110 MET H H 110 8.582 8.469 0.113 1
1 1301 . 16 1 1 A 110 110 MET HA H 110 4.404 4.018 0.386 1
1 1309 . 16 1 1 A 110 110 MET C C 110 180.290 178.781 1.509 1
1 1310 . 16 1 1 A 110 110 MET CA C 110 56.876 58.880 -2.004 1
1 1311 . 16 1 1 A 110 110 MET CB C 110 30.002 32.329 -2.327 1
1 1314 . 16 1 1 A 110 110 MET N N 110 117.122 116.555 0.567 1
1 1315 . 16 1 1 A 111 111 GLU H H 111 8.062 8.065 -0.003 1
1 1316 . 16 1 1 A 111 111 GLU HA H 111 4.126 3.982 0.144 1
1 1321 . 16 1 1 A 111 111 GLU C C 111 179.237 178.658 0.579 1
1 1322 . 16 1 1 A 111 111 GLU CA C 111 59.435 58.961 0.474 1
1 1323 . 16 1 1 A 111 111 GLU CB C 111 29.015 29.539 -0.524 1
1 1325 . 16 1 1 A 111 111 GLU N N 111 121.532 119.021 2.511 1
1 1326 . 16 1 1 A 112 112 ALA H H 112 7.975 7.639 0.336 1
1 1327 . 16 1 1 A 112 112 ALA HA H 112 4.265 4.079 0.186 1
1 1331 . 16 1 1 A 112 112 ALA C C 112 179.608 179.038 0.570 1
1 1332 . 16 1 1 A 112 112 ALA CA C 112 54.158 54.964 -0.806 1
1 1333 . 16 1 1 A 112 112 ALA CB C 112 19.530 18.593 0.937 1
1 1334 . 16 1 1 A 112 112 ALA N N 112 121.838 122.427 -0.589 1
1 1335 . 16 1 1 A 113 113 ASN H H 113 8.115 8.485 -0.370 1
1 1336 . 16 1 1 A 113 113 ASN HA H 113 4.822 4.438 0.384 1
1 1341 . 16 1 1 A 113 113 ASN C C 113 176.296 176.062 0.234 1
1 1342 . 16 1 1 A 113 113 ASN CA C 113 56.311 56.201 0.110 1
1 1343 . 16 1 1 A 113 113 ASN CB C 113 40.283 39.056 1.227 1
1 1344 . 16 1 1 A 113 113 ASN N N 113 115.563 117.120 -1.557 1
1 1346 . 16 1 1 A 114 114 SER H H 114 7.365 7.647 -0.282 1
1 1347 . 16 1 1 A 114 114 SER HA H 114 4.545 3.683 0.862 1
1 1350 . 16 1 1 A 114 114 SER C C 114 174.126 172.378 1.748 1
1 1351 . 16 1 1 A 114 114 SER CA C 114 58.464 56.900 1.564 1
1 1352 . 16 1 1 A 114 114 SER CB C 114 64.400 63.782 0.618 1
1 1353 . 16 1 1 A 114 114 SER N N 114 108.652 112.520 -3.868 1
1 1354 . 16 1 1 A 115 115 THR H H 115 7.849 7.011 0.838 1
1 1355 . 16 1 1 A 115 115 THR HA H 115 4.599 4.803 -0.204 1
1 1360 . 16 1 1 A 115 115 THR C C 115 172.337 172.384 -0.047 1
1 1361 . 16 1 1 A 115 115 THR CA C 115 60.817 59.093 1.724 1
1 1362 . 16 1 1 A 115 115 THR CB C 115 70.016 71.519 -1.503 1
1 1364 . 16 1 1 A 115 115 THR N N 115 118.885 116.647 2.238 1
1 1365 . 16 1 1 A 116 116 PRO HA H 116 4.404 4.768 -0.364 1
1 1372 . 16 1 1 A 116 116 PRO CA C 116 63.007 62.424 0.583 1
1 1373 . 16 1 1 A 116 116 PRO CB C 116 32.346 33.057 -0.711 1
1 1376 . 16 1 1 A 117 117 ALA H H 117 8.429 8.497 -0.068 1
1 1377 . 16 1 1 A 117 117 ALA HA H 117 4.535 4.815 -0.280 1
1 1381 . 16 1 1 A 117 117 ALA CA C 117 50.359 49.104 1.255 1
1 1382 . 16 1 1 A 117 117 ALA CB C 117 18.069 21.865 -3.796 1
1 1383 . 16 1 1 A 117 117 ALA N N 117 125.693 123.146 2.547 1
1 1384 . 16 1 1 A 118 118 PRO HA H 118 4.377 4.507 -0.130 1
1 1391 . 16 1 1 A 118 118 PRO C C 118 176.656 176.611 0.045 1
1 1392 . 16 1 1 A 118 118 PRO CA C 118 63.105 64.209 -1.104 1
1 1393 . 16 1 1 A 118 118 PRO CB C 118 31.935 31.879 0.056 1
1 1396 . 16 1 1 A 119 119 ALA H H 119 8.430 8.152 0.278 1
1 1397 . 16 1 1 A 119 119 ALA HA H 119 4.255 4.366 -0.111 1
1 1401 . 16 1 1 A 119 119 ALA C C 119 178.416 176.808 1.608 1
1 1402 . 16 1 1 A 119 119 ALA CA C 119 52.744 51.518 1.226 1
1 1403 . 16 1 1 A 119 119 ALA CB C 119 19.186 18.380 0.806 1
1 1404 . 16 1 1 A 119 119 ALA N N 119 124.565 121.150 3.415 1
1 1405 . 16 1 1 A 120 120 GLY H H 120 8.375 8.017 0.358 1
1 1406 . 16 1 1 A 120 120 GLY HA2 H 120 3.934 4.282 -0.348 1
1 1407 . 16 1 1 A 120 120 GLY HA3 H 120 3.934 4.283 -0.349 1
1 1408 . 16 1 1 A 120 120 GLY C C 120 173.810 171.794 2.016 1
1 1409 . 16 1 1 A 120 120 GLY CA C 120 45.176 45.514 -0.338 1
1 1410 . 16 1 1 A 120 120 GLY N N 120 108.353 109.611 -1.258 1
1 1411 . 16 1 1 A 121 121 ALA H H 121 8.116 8.823 -0.707 1
1 1412 . 16 1 1 A 121 121 ALA HA H 121 4.379 5.298 -0.919 1
1 1416 . 16 1 1 A 121 121 ALA C C 121 177.908 175.960 1.948 1
1 1417 . 16 1 1 A 121 121 ALA CA C 121 52.446 50.886 1.560 1
1 1418 . 16 1 1 A 121 121 ALA CB C 121 19.433 23.819 -4.386 1
1 1419 . 16 1 1 A 121 121 ALA N N 121 123.561 125.916 -2.355 1
1 1420 . 16 1 1 A 122 122 THR H H 122 8.212 8.561 -0.349 1
1 1421 . 16 1 1 A 122 122 THR C C 122 174.317 174.028 0.289 1
1 1422 . 16 1 1 A 122 122 THR CA C 122 61.888 62.782 -0.894 1
1 1423 . 16 1 1 A 122 122 THR CB C 122 69.648 69.918 -0.270 1
1 1425 . 16 1 1 A 122 122 THR N N 122 114.319 114.677 -0.358 1
1 1426 . 16 1 1 A 123 123 VAL H H 123 8.222 8.579 -0.357 1
1 1427 . 16 1 1 A 123 123 VAL HA H 123 4.455 4.606 -0.151 1
1 1435 . 16 1 1 A 123 123 VAL C C 123 174.373 174.120 0.253 1
1 1436 . 16 1 1 A 123 123 VAL CA C 123 59.717 59.189 0.528 1
1 1437 . 16 1 1 A 123 123 VAL CB C 123 32.593 35.471 -2.878 1
1 1440 . 16 1 1 A 123 123 VAL N N 123 124.311 125.776 -1.465 1
1 1441 . 16 1 1 A 124 124 PRO HA H 124 4.403 4.725 -0.322 1
1 1446 . 16 1 1 A 124 124 PRO C C 124 176.873 176.005 0.868 1
1 1447 . 16 1 1 A 124 124 PRO CA C 124 63.211 62.363 0.848 1
1 1448 . 16 1 1 A 124 124 PRO CB C 124 32.017 29.992 2.025 1
1 1451 . 16 1 1 A 125 125 SER H H 125 8.426 8.186 0.240 1
1 1452 . 16 1 1 A 125 125 SER HA H 125 4.448 4.876 -0.428 1
1 1455 . 16 1 1 A 125 125 SER C C 125 174.598 173.490 1.108 1
1 1456 . 16 1 1 A 125 125 SER CA C 125 58.341 57.990 0.351 1
1 1457 . 16 1 1 A 125 125 SER CB C 125 64.054 66.099 -2.045 1
1 1458 . 16 1 1 A 125 125 SER N N 125 116.463 118.989 -2.526 1
1 1459 . 16 1 1 A 126 126 GLY H H 126 8.233 8.702 -0.469 1
1 1460 . 16 1 1 A 126 126 GLY C C 126 171.756 173.311 -1.555 1
1 1461 . 16 1 1 A 126 126 GLY CA C 126 44.611 45.469 -0.858 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.445 5.241 -0.796 1
1 4 . 17 1 1 A 6 6 SER C C 6 174.707 174.754 -0.047 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.482 56.503 1.979 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.848 65.420 -1.572 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.494 8.328 0.166 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 4.105 4.128 -0.023 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 4.105 4.168 -0.063 1
1 10 . 17 1 1 A 7 7 GLY C C 7 172.961 174.672 -1.711 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.864 45.638 0.226 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.325 114.366 -4.041 1
1 13 . 17 1 1 A 8 8 LEU H H 8 8.295 7.891 0.404 1
1 14 . 17 1 1 A 8 8 LEU HA H 8 4.268 4.705 -0.437 1
1 24 . 17 1 1 A 8 8 LEU C C 8 176.773 175.855 0.918 1
1 25 . 17 1 1 A 8 8 LEU CA C 8 55.587 54.005 1.582 1
1 26 . 17 1 1 A 8 8 LEU CB C 8 43.367 43.638 -0.271 1
1 30 . 17 1 1 A 8 8 LEU N N 8 123.800 122.949 0.851 1
1 31 . 17 1 1 A 9 9 VAL H H 9 9.290 8.834 0.456 1
1 32 . 17 1 1 A 9 9 VAL HA H 9 3.826 4.012 -0.186 1
1 40 . 17 1 1 A 9 9 VAL C C 9 176.540 175.842 0.698 1
1 41 . 17 1 1 A 9 9 VAL CA C 9 64.888 64.000 0.888 1
1 42 . 17 1 1 A 9 9 VAL CB C 9 32.264 32.205 0.059 1
1 45 . 17 1 1 A 9 9 VAL N N 9 129.415 126.793 2.622 1
1 46 . 17 1 1 A 10 10 ARG H H 10 7.135 7.510 -0.375 1
1 47 . 17 1 1 A 10 10 ARG HA H 10 4.126 4.676 -0.550 1
1 55 . 17 1 1 A 10 10 ARG C C 10 171.942 174.442 -2.500 1
1 56 . 17 1 1 A 10 10 ARG CA C 10 55.800 55.138 0.662 1
1 57 . 17 1 1 A 10 10 ARG CB C 10 32.223 33.660 -1.437 1
1 60 . 17 1 1 A 10 10 ARG N N 10 117.246 117.558 -0.312 1
1 62 . 17 1 1 A 11 11 GLY H H 11 8.390 8.377 0.013 1
1 63 . 17 1 1 A 11 11 GLY HA2 H 11 3.204 4.083 -0.879 1
1 64 . 17 1 1 A 11 11 GLY HA3 H 11 5.336 4.241 1.095 1
1 65 . 17 1 1 A 11 11 GLY C C 11 172.895 172.786 0.109 1
1 66 . 17 1 1 A 11 11 GLY CA C 11 43.481 45.108 -1.627 1
1 67 . 17 1 1 A 11 11 GLY N N 11 113.527 109.484 4.043 1
1 68 . 17 1 1 A 12 12 GLY H H 12 7.935 7.553 0.382 1
1 69 . 17 1 1 A 12 12 GLY C C 12 171.502 171.941 -0.439 1
1 70 . 17 1 1 A 12 12 GLY CA C 12 46.093 45.983 0.110 1
1 71 . 17 1 1 A 13 13 TRP H H 13 8.904 9.071 -0.167 1
1 72 . 17 1 1 A 13 13 TRP HA H 13 5.205 4.916 0.289 1
1 81 . 17 1 1 A 13 13 TRP C C 13 177.926 176.644 1.282 1
1 82 . 17 1 1 A 13 13 TRP CA C 13 57.846 58.736 -0.890 1
1 83 . 17 1 1 A 13 13 TRP CB C 13 30.290 30.576 -0.286 1
1 89 . 17 1 1 A 13 13 TRP N N 13 121.758 122.641 -0.883 1
1 91 . 17 1 1 A 14 14 LEU H H 14 9.295 8.779 0.516 1
1 92 . 17 1 1 A 14 14 LEU HA H 14 4.683 4.748 -0.065 1
1 102 . 17 1 1 A 14 14 LEU C C 14 175.828 176.416 -0.588 1
1 103 . 17 1 1 A 14 14 LEU CA C 14 54.670 53.804 0.866 1
1 104 . 17 1 1 A 14 14 LEU CB C 14 47.562 45.981 1.581 1
1 108 . 17 1 1 A 14 14 LEU N N 14 123.447 123.675 -0.228 1
1 109 . 17 1 1 A 15 15 TRP H H 15 8.655 8.472 0.183 1
1 110 . 17 1 1 A 15 15 TRP HA H 15 5.315 4.949 0.366 1
1 119 . 17 1 1 A 15 15 TRP C C 15 175.899 176.107 -0.208 1
1 120 . 17 1 1 A 15 15 TRP CA C 15 57.159 58.033 -0.874 1
1 121 . 17 1 1 A 15 15 TRP CB C 15 30.759 30.958 -0.199 1
1 127 . 17 1 1 A 15 15 TRP N N 15 119.571 123.754 -4.183 1
1 129 . 17 1 1 A 16 16 ARG H H 16 10.145 9.497 0.648 1
1 130 . 17 1 1 A 16 16 ARG HA H 16 5.495 5.592 -0.097 1
1 138 . 17 1 1 A 16 16 ARG C C 16 174.930 173.750 1.180 1
1 139 . 17 1 1 A 16 16 ARG CA C 16 54.334 54.154 0.180 1
1 140 . 17 1 1 A 16 16 ARG CB C 16 34.808 34.057 0.751 1
1 143 . 17 1 1 A 16 16 ARG N N 16 121.997 124.386 -2.389 1
1 145 . 17 1 1 A 17 17 GLN H H 17 8.233 8.115 0.118 1
1 146 . 17 1 1 A 17 17 GLN HA H 17 3.797 4.915 -1.118 1
1 153 . 17 1 1 A 17 17 GLN C C 17 175.654 174.028 1.626 1
1 154 . 17 1 1 A 17 17 GLN CA C 17 55.446 53.799 1.647 1
1 155 . 17 1 1 A 17 17 GLN CB C 17 29.056 30.880 -1.824 1
1 157 . 17 1 1 A 17 17 GLN N N 17 128.414 127.283 1.131 1
1 159 . 17 1 1 A 18 18 SER H H 18 8.635 8.362 0.273 1
1 160 . 17 1 1 A 18 18 SER HA H 18 4.575 4.660 -0.085 1
1 163 . 17 1 1 A 18 18 SER C C 18 175.585 174.919 0.666 1
1 164 . 17 1 1 A 18 18 SER CA C 18 57.246 55.598 1.648 1
1 165 . 17 1 1 A 18 18 SER CB C 18 64.012 65.749 -1.737 1
1 166 . 17 1 1 A 18 18 SER N N 18 122.600 119.817 2.783 1
1 167 . 17 1 1 A 20 20 ILE H H 20 7.976 8.024 -0.048 1
1 168 . 17 1 1 A 20 20 ILE HA H 20 4.036 4.049 -0.013 1
1 178 . 17 1 1 A 20 20 ILE C C 20 176.929 177.363 -0.434 1
1 179 . 17 1 1 A 20 20 ILE CA C 20 62.929 63.787 -0.858 1
1 180 . 17 1 1 A 20 20 ILE CB C 20 37.912 38.635 -0.723 1
1 184 . 17 1 1 A 20 20 ILE N N 20 120.700 122.310 -1.610 1
1 185 . 17 1 1 A 21 21 LEU H H 21 8.089 8.174 -0.085 1
1 186 . 17 1 1 A 21 21 LEU HA H 21 4.159 4.122 0.037 1
1 196 . 17 1 1 A 21 21 LEU C C 21 176.455 176.105 0.350 1
1 197 . 17 1 1 A 21 21 LEU CA C 21 55.287 57.495 -2.208 1
1 198 . 17 1 1 A 21 21 LEU CB C 21 42.051 41.646 0.405 1
1 202 . 17 1 1 A 21 21 LEU N N 21 119.540 122.547 -3.007 1
1 203 . 17 1 1 A 22 22 ARG H H 22 7.687 7.723 -0.036 1
1 204 . 17 1 1 A 22 22 ARG HA H 22 3.806 3.697 0.109 1
1 211 . 17 1 1 A 22 22 ARG C C 22 175.087 174.469 0.618 1
1 212 . 17 1 1 A 22 22 ARG CA C 22 56.788 57.103 -0.315 1
1 213 . 17 1 1 A 22 22 ARG CB C 22 27.130 27.709 -0.579 1
1 216 . 17 1 1 A 22 22 ARG N N 22 114.383 117.404 -3.021 1
1 217 . 17 1 1 A 23 23 ARG H H 23 7.392 7.626 -0.234 1
1 218 . 17 1 1 A 23 23 ARG HA H 23 4.603 4.964 -0.361 1
1 225 . 17 1 1 A 23 23 ARG C C 23 176.112 174.446 1.666 1
1 226 . 17 1 1 A 23 23 ARG CA C 23 54.846 54.738 0.108 1
1 227 . 17 1 1 A 23 23 ARG CB C 23 32.387 33.606 -1.219 1
1 230 . 17 1 1 A 23 23 ARG N N 23 115.846 117.846 -2.000 1
1 231 . 17 1 1 A 24 24 TRP H H 24 9.013 8.877 0.136 1
1 232 . 17 1 1 A 24 24 TRP HA H 24 5.154 5.343 -0.189 1
1 241 . 17 1 1 A 24 24 TRP C C 24 176.347 176.363 -0.016 1
1 242 . 17 1 1 A 24 24 TRP CA C 24 57.546 57.345 0.201 1
1 243 . 17 1 1 A 24 24 TRP CB C 24 31.112 31.029 0.083 1
1 249 . 17 1 1 A 24 24 TRP N N 24 123.861 127.201 -3.340 1
1 251 . 17 1 1 A 25 25 LYS H H 25 9.553 9.669 -0.116 1
1 252 . 17 1 1 A 25 25 LYS HA H 25 4.992 5.334 -0.342 1
1 261 . 17 1 1 A 25 25 LYS C C 25 173.887 175.254 -1.367 1
1 262 . 17 1 1 A 25 25 LYS CA C 25 55.023 55.020 0.003 1
1 263 . 17 1 1 A 25 25 LYS CB C 25 35.965 36.394 -0.429 1
1 267 . 17 1 1 A 25 25 LYS N N 25 123.241 119.404 3.837 1
1 268 . 17 1 1 A 26 26 ARG H H 26 8.705 8.665 0.040 1
1 269 . 17 1 1 A 26 26 ARG HA H 26 4.494 4.309 0.185 1
1 276 . 17 1 1 A 26 26 ARG C C 26 175.755 176.299 -0.544 1
1 277 . 17 1 1 A 26 26 ARG CA C 26 56.046 56.555 -0.509 1
1 278 . 17 1 1 A 26 26 ARG CB C 26 30.783 30.535 0.248 1
1 281 . 17 1 1 A 26 26 ARG N N 26 124.843 122.723 2.120 1
1 282 . 17 1 1 A 27 27 ASN H H 27 9.100 8.604 0.496 1
1 283 . 17 1 1 A 27 27 ASN HA H 27 5.235 5.081 0.154 1
1 288 . 17 1 1 A 27 27 ASN CA C 27 54.041 51.989 2.052 1
1 289 . 17 1 1 A 27 27 ASN CB C 27 46.737 43.318 3.419 1
1 290 . 17 1 1 A 27 27 ASN N N 27 123.044 122.050 0.994 1
1 292 . 17 1 1 A 28 28 TRP H H 28 7.835 8.344 -0.509 1
1 293 . 17 1 1 A 28 28 TRP HA H 28 4.105 4.485 -0.380 1
1 299 . 17 1 1 A 28 28 TRP N N 28 122.540 124.373 -1.833 1
1 300 . 17 1 1 A 29 29 PHE H H 29 8.755 8.448 0.307 1
1 301 . 17 1 1 A 29 29 PHE HA H 29 5.001 5.078 -0.077 1
1 309 . 17 1 1 A 29 29 PHE CA C 29 56.692 55.537 1.155 1
1 310 . 17 1 1 A 29 29 PHE CB C 29 42.284 42.041 0.243 1
1 316 . 17 1 1 A 29 29 PHE N N 29 129.716 125.427 4.289 1
1 317 . 17 1 1 A 30 30 ALA H H 30 8.695 8.237 0.458 1
1 321 . 17 1 1 A 30 30 ALA C C 30 173.958 174.590 -0.632 1
1 322 . 17 1 1 A 30 30 ALA CA C 30 50.611 50.682 -0.071 1
1 323 . 17 1 1 A 30 30 ALA CB C 30 22.570 22.770 -0.200 1
1 324 . 17 1 1 A 31 31 LEU H H 31 8.815 8.177 0.638 1
1 325 . 17 1 1 A 31 31 LEU HA H 31 5.003 4.946 0.057 1
1 335 . 17 1 1 A 31 31 LEU C C 31 174.414 174.480 -0.066 1
1 336 . 17 1 1 A 31 31 LEU CA C 31 53.240 53.462 -0.222 1
1 337 . 17 1 1 A 31 31 LEU CB C 31 44.783 45.115 -0.332 1
1 341 . 17 1 1 A 31 31 LEU N N 31 124.610 123.556 1.054 1
1 342 . 17 1 1 A 32 32 TRP H H 32 9.045 8.576 0.469 1
1 343 . 17 1 1 A 32 32 TRP HA H 32 5.499 5.568 -0.069 1
1 352 . 17 1 1 A 32 32 TRP C C 32 178.871 176.930 1.941 1
1 353 . 17 1 1 A 32 32 TRP CA C 32 55.552 55.620 -0.068 1
1 354 . 17 1 1 A 32 32 TRP CB C 32 32.346 33.156 -0.810 1
1 360 . 17 1 1 A 32 32 TRP N N 32 128.500 125.955 2.545 1
1 362 . 17 1 1 A 33 33 LEU H H 33 9.246 9.139 0.107 1
1 363 . 17 1 1 A 33 33 LEU HA H 33 4.075 4.283 -0.208 1
1 373 . 17 1 1 A 33 33 LEU C C 33 176.859 177.784 -0.925 1
1 374 . 17 1 1 A 33 33 LEU CA C 33 57.035 57.022 0.013 1
1 375 . 17 1 1 A 33 33 LEU CB C 33 42.651 41.731 0.920 1
1 379 . 17 1 1 A 33 33 LEU N N 33 123.838 124.854 -1.016 1
1 380 . 17 1 1 A 34 34 ASP H H 34 7.536 7.995 -0.459 1
1 381 . 17 1 1 A 34 34 ASP HA H 34 4.395 4.742 -0.347 1
1 384 . 17 1 1 A 34 34 ASP C C 34 177.113 175.778 1.335 1
1 385 . 17 1 1 A 34 34 ASP CA C 34 53.805 54.245 -0.440 1
1 386 . 17 1 1 A 34 34 ASP CB C 34 39.625 41.073 -1.448 1
1 387 . 17 1 1 A 34 34 ASP N N 34 115.948 117.130 -1.182 1
1 388 . 17 1 1 A 35 35 GLY H H 35 8.264 8.297 -0.033 1
1 389 . 17 1 1 A 35 35 GLY HA2 H 35 4.205 4.096 0.109 1
1 390 . 17 1 1 A 35 35 GLY HA3 H 35 3.895 4.097 -0.202 1
1 391 . 17 1 1 A 35 35 GLY C C 35 173.898 173.576 0.322 1
1 392 . 17 1 1 A 35 35 GLY CA C 35 46.216 46.980 -0.764 1
1 393 . 17 1 1 A 35 35 GLY N N 35 106.508 109.093 -2.585 1
1 394 . 17 1 1 A 36 36 THR H H 36 8.035 7.669 0.366 1
1 395 . 17 1 1 A 36 36 THR HA H 36 5.123 5.275 -0.152 1
1 400 . 17 1 1 A 36 36 THR C C 36 170.669 172.698 -2.029 1
1 401 . 17 1 1 A 36 36 THR CA C 36 60.588 60.044 0.544 1
1 402 . 17 1 1 A 36 36 THR CB C 36 72.314 72.450 -0.136 1
1 404 . 17 1 1 A 36 36 THR N N 36 112.047 108.576 3.471 1
1 405 . 17 1 1 A 37 37 LEU H H 37 9.344 9.595 -0.251 1
1 406 . 17 1 1 A 37 37 LEU HA H 37 5.616 5.291 0.325 1
1 416 . 17 1 1 A 37 37 LEU C C 37 175.787 175.171 0.616 1
1 417 . 17 1 1 A 37 37 LEU CA C 37 52.799 53.798 -0.999 1
1 418 . 17 1 1 A 37 37 LEU CB C 37 46.698 44.812 1.886 1
1 422 . 17 1 1 A 37 37 LEU N N 37 122.915 124.638 -1.723 1
1 423 . 17 1 1 A 38 38 GLY H H 38 9.685 8.797 0.888 1
1 424 . 17 1 1 A 38 38 GLY HA2 H 38 5.074 4.159 0.915 1
1 425 . 17 1 1 A 38 38 GLY HA3 H 38 3.825 4.362 -0.537 1
1 426 . 17 1 1 A 38 38 GLY C C 38 172.258 172.359 -0.101 1
1 427 . 17 1 1 A 38 38 GLY CA C 38 43.676 44.062 -0.386 1
1 428 . 17 1 1 A 38 38 GLY N N 38 113.092 113.938 -0.846 1
1 429 . 17 1 1 A 39 39 TYR H H 39 7.362 7.557 -0.195 1
1 430 . 17 1 1 A 39 39 TYR HA H 39 5.251 5.754 -0.503 1
1 437 . 17 1 1 A 39 39 TYR C C 39 175.367 173.336 2.031 1
1 438 . 17 1 1 A 39 39 TYR CA C 39 54.282 55.047 -0.765 1
1 439 . 17 1 1 A 39 39 TYR CB C 39 37.774 41.188 -3.414 1
1 444 . 17 1 1 A 39 39 TYR N N 39 113.951 117.953 -4.002 1
1 445 . 17 1 1 A 40 40 TYR H H 40 9.315 8.896 0.419 1
1 446 . 17 1 1 A 40 40 TYR HA H 40 5.305 5.005 0.300 1
1 453 . 17 1 1 A 40 40 TYR C C 40 177.694 176.347 1.347 1
1 454 . 17 1 1 A 40 40 TYR CA C 40 57.185 56.934 0.251 1
1 455 . 17 1 1 A 40 40 TYR CB C 40 43.779 43.135 0.644 1
1 460 . 17 1 1 A 40 40 TYR N N 40 117.930 118.699 -0.769 1
1 461 . 17 1 1 A 41 41 HIS H H 41 8.658 8.952 -0.294 1
1 462 . 17 1 1 A 41 41 HIS HA H 41 4.654 4.303 0.351 1
1 467 . 17 1 1 A 41 41 HIS C C 41 174.858 174.908 -0.050 1
1 468 . 17 1 1 A 41 41 HIS CA C 41 59.159 59.318 -0.159 1
1 469 . 17 1 1 A 41 41 HIS CB C 41 31.094 29.261 1.833 1
1 472 . 17 1 1 A 41 41 HIS N N 41 121.927 120.426 1.501 1
1 473 . 17 1 1 A 42 42 ASP H H 42 8.095 7.097 0.998 1
1 474 . 17 1 1 A 42 42 ASP HA H 42 4.795 4.731 0.064 1
1 477 . 17 1 1 A 42 42 ASP C C 42 175.052 176.338 -1.286 1
1 478 . 17 1 1 A 42 42 ASP CA C 42 53.155 51.836 1.319 1
1 479 . 17 1 1 A 42 42 ASP CB C 42 41.860 42.527 -0.667 1
1 480 . 17 1 1 A 42 42 ASP N N 42 112.020 116.386 -4.366 1
1 481 . 17 1 1 A 43 43 GLU H H 43 8.899 9.174 -0.275 1
1 482 . 17 1 1 A 43 43 GLU C C 43 176.336 176.598 -0.262 1
1 483 . 17 1 1 A 43 43 GLU CA C 43 57.021 58.614 -1.593 1
1 484 . 17 1 1 A 43 43 GLU CB C 43 27.493 28.526 -1.033 1
1 485 . 17 1 1 A 43 43 GLU N N 43 116.402 117.576 -1.174 1
1 486 . 17 1 1 A 44 44 THR H H 44 8.093 7.437 0.656 1
1 487 . 17 1 1 A 44 44 THR HA H 44 3.915 4.148 -0.233 1
1 492 . 17 1 1 A 44 44 THR CA C 44 63.143 61.501 1.642 1
1 493 . 17 1 1 A 44 44 THR CB C 44 69.620 68.054 1.566 1
1 495 . 17 1 1 A 44 44 THR N N 44 111.376 111.059 0.317 1
1 496 . 17 1 1 A 45 45 ALA H H 45 7.815 7.899 -0.084 1
1 497 . 17 1 1 A 45 45 ALA HA H 45 3.430 3.616 -0.186 1
1 501 . 17 1 1 A 45 45 ALA C C 45 175.091 176.423 -1.332 1
1 502 . 17 1 1 A 45 45 ALA CA C 45 53.434 52.056 1.378 1
1 503 . 17 1 1 A 45 45 ALA CB C 45 15.567 17.802 -2.235 1
1 504 . 17 1 1 A 46 46 GLN H H 46 7.869 8.819 -0.950 1
1 505 . 17 1 1 A 46 46 GLN HA H 46 4.238 4.677 -0.439 1
1 512 . 17 1 1 A 46 46 GLN C C 46 176.190 175.902 0.288 1
1 513 . 17 1 1 A 46 46 GLN CA C 46 56.929 56.850 0.079 1
1 514 . 17 1 1 A 46 46 GLN CB C 46 30.454 31.827 -1.373 1
1 516 . 17 1 1 A 46 46 GLN N N 46 115.953 123.032 -7.079 1
1 518 . 17 1 1 A 47 47 ASP H H 47 8.326 7.734 0.592 1
1 519 . 17 1 1 A 47 47 ASP HA H 47 4.954 4.702 0.252 1
1 522 . 17 1 1 A 47 47 ASP C C 47 173.846 174.844 -0.998 1
1 523 . 17 1 1 A 47 47 ASP CA C 47 52.993 53.330 -0.337 1
1 524 . 17 1 1 A 47 47 ASP CB C 47 41.558 39.579 1.979 1
1 525 . 17 1 1 A 47 47 ASP N N 47 119.830 119.679 0.151 1
1 526 . 17 1 1 A 48 48 GLU H H 48 8.756 8.289 0.467 1
1 527 . 17 1 1 A 48 48 GLU HA H 48 3.785 3.862 -0.077 1
1 532 . 17 1 1 A 48 48 GLU C C 48 175.892 176.569 -0.677 1
1 533 . 17 1 1 A 48 48 GLU CA C 48 56.470 56.043 0.427 1
1 534 . 17 1 1 A 48 48 GLU CB C 48 32.264 29.938 2.326 1
1 536 . 17 1 1 A 48 48 GLU N N 48 125.923 127.798 -1.875 1
1 537 . 17 1 1 A 49 49 GLU H H 49 8.945 8.242 0.703 1
1 538 . 17 1 1 A 49 49 GLU HA H 49 4.164 3.981 0.183 1
1 543 . 17 1 1 A 49 49 GLU C C 49 176.040 175.347 0.693 1
1 544 . 17 1 1 A 49 49 GLU CA C 49 58.447 58.869 -0.422 1
1 545 . 17 1 1 A 49 49 GLU CB C 49 30.207 30.781 -0.574 1
1 547 . 17 1 1 A 49 49 GLU N N 49 129.751 127.004 2.747 1
1 548 . 17 1 1 A 50 50 ASP H H 50 6.736 7.006 -0.270 1
1 549 . 17 1 1 A 50 50 ASP HA H 50 4.355 4.769 -0.414 1
1 552 . 17 1 1 A 50 50 ASP C C 50 172.562 173.400 -0.838 1
1 553 . 17 1 1 A 50 50 ASP CA C 50 52.729 53.202 -0.473 1
1 554 . 17 1 1 A 50 50 ASP CB C 50 43.737 43.836 -0.099 1
1 555 . 17 1 1 A 50 50 ASP N N 50 113.574 117.274 -3.700 1
1 556 . 17 1 1 A 51 51 ARG H H 51 8.532 8.605 -0.073 1
1 557 . 17 1 1 A 51 51 ARG HA H 51 5.005 4.819 0.186 1
1 565 . 17 1 1 A 51 51 ARG C C 51 174.656 174.512 0.144 1
1 566 . 17 1 1 A 51 51 ARG CA C 51 55.605 55.528 0.077 1
1 567 . 17 1 1 A 51 51 ARG CB C 51 33.520 34.032 -0.512 1
1 570 . 17 1 1 A 51 51 ARG N N 51 117.888 122.916 -5.028 1
1 572 . 17 1 1 A 52 52 VAL H H 52 9.155 9.247 -0.092 1
1 573 . 17 1 1 A 52 52 VAL HA H 52 4.616 5.088 -0.472 1
1 581 . 17 1 1 A 52 52 VAL C C 52 174.710 174.658 0.052 1
1 582 . 17 1 1 A 52 52 VAL CA C 52 59.382 59.620 -0.238 1
1 583 . 17 1 1 A 52 52 VAL CB C 52 35.266 35.456 -0.190 1
1 586 . 17 1 1 A 52 52 VAL N N 52 121.629 120.948 0.681 1
1 587 . 17 1 1 A 53 53 VAL H H 53 8.956 8.971 -0.015 1
1 588 . 17 1 1 A 53 53 VAL HA H 53 3.745 4.366 -0.621 1
1 596 . 17 1 1 A 53 53 VAL C C 53 174.610 175.576 -0.966 1
1 597 . 17 1 1 A 53 53 VAL CA C 53 64.676 62.221 2.455 1
1 598 . 17 1 1 A 53 53 VAL CB C 53 32.305 32.961 -0.656 1
1 601 . 17 1 1 A 53 53 VAL N N 53 125.547 122.329 3.218 1
1 602 . 17 1 1 A 54 54 ILE H H 54 8.705 8.666 0.039 1
1 603 . 17 1 1 A 54 54 ILE HA H 54 4.324 4.321 0.003 1
1 613 . 17 1 1 A 54 54 ILE C C 54 176.747 176.393 0.354 1
1 614 . 17 1 1 A 54 54 ILE CA C 54 58.623 62.853 -4.230 1
1 615 . 17 1 1 A 54 54 ILE CB C 54 36.787 39.074 -2.287 1
1 619 . 17 1 1 A 54 54 ILE N N 54 126.147 126.605 -0.458 1
1 620 . 17 1 1 A 55 55 HIS H H 55 7.913 7.933 -0.020 1
1 621 . 17 1 1 A 55 55 HIS HA H 55 4.626 4.394 0.232 1
1 626 . 17 1 1 A 55 55 HIS C C 55 174.365 175.748 -1.383 1
1 627 . 17 1 1 A 55 55 HIS CA C 55 57.917 57.213 0.704 1
1 628 . 17 1 1 A 55 55 HIS CB C 55 29.796 29.646 0.150 1
1 631 . 17 1 1 A 55 55 HIS N N 55 119.790 123.331 -3.541 1
1 632 . 17 1 1 A 56 56 PHE H H 56 9.382 9.049 0.333 1
1 633 . 17 1 1 A 56 56 PHE HA H 56 4.225 4.267 -0.042 1
1 641 . 17 1 1 A 56 56 PHE C C 56 175.781 175.107 0.674 1
1 642 . 17 1 1 A 56 56 PHE CA C 56 57.593 58.367 -0.774 1
1 643 . 17 1 1 A 56 56 PHE CB C 56 36.664 35.904 0.760 1
1 649 . 17 1 1 A 56 56 PHE N N 56 124.614 122.931 1.683 1
1 650 . 17 1 1 A 57 57 ASN H H 57 8.755 7.586 1.169 1
1 651 . 17 1 1 A 57 57 ASN HA H 57 5.319 5.103 0.216 1
1 656 . 17 1 1 A 57 57 ASN C C 57 175.317 175.373 -0.056 1
1 657 . 17 1 1 A 57 57 ASN CA C 57 52.129 54.367 -2.238 1
1 658 . 17 1 1 A 57 57 ASN CB C 57 41.640 41.635 0.005 1
1 659 . 17 1 1 A 57 57 ASN N N 57 114.893 116.276 -1.383 1
1 661 . 17 1 1 A 58 58 VAL H H 58 8.606 7.495 1.111 1
1 662 . 17 1 1 A 58 58 VAL HA H 58 4.138 4.347 -0.209 1
1 670 . 17 1 1 A 58 58 VAL C C 58 175.486 176.067 -0.581 1
1 671 . 17 1 1 A 58 58 VAL CA C 58 63.035 63.369 -0.334 1
1 672 . 17 1 1 A 58 58 VAL CB C 58 32.733 31.138 1.595 1
1 675 . 17 1 1 A 58 58 VAL N N 58 121.476 118.652 2.824 1
1 676 . 17 1 1 A 59 59 ARG H H 59 9.233 9.299 -0.066 1
1 677 . 17 1 1 A 59 59 ARG HA H 59 4.184 4.207 -0.023 1
1 684 . 17 1 1 A 59 59 ARG C C 59 175.572 175.743 -0.171 1
1 685 . 17 1 1 A 59 59 ARG CA C 59 58.093 57.732 0.361 1
1 686 . 17 1 1 A 59 59 ARG CB C 59 31.236 31.391 -0.155 1
1 689 . 17 1 1 A 59 59 ARG N N 59 128.965 129.661 -0.696 1
1 690 . 17 1 1 A 60 60 ASP H H 60 7.745 7.656 0.089 1
1 691 . 17 1 1 A 60 60 ASP HA H 60 4.485 4.965 -0.480 1
1 694 . 17 1 1 A 60 60 ASP C C 60 173.047 173.705 -0.658 1
1 695 . 17 1 1 A 60 60 ASP CA C 60 53.911 53.246 0.665 1
1 696 . 17 1 1 A 60 60 ASP CB C 60 42.874 43.646 -0.772 1
1 697 . 17 1 1 A 60 60 ASP N N 60 113.170 114.532 -1.362 1
1 698 . 17 1 1 A 61 61 ILE H H 61 8.398 8.769 -0.371 1
1 699 . 17 1 1 A 61 61 ILE HA H 61 5.055 5.071 -0.016 1
1 709 . 17 1 1 A 61 61 ILE C C 61 174.897 174.677 0.220 1
1 710 . 17 1 1 A 61 61 ILE CA C 61 60.511 60.094 0.417 1
1 711 . 17 1 1 A 61 61 ILE CB C 61 41.558 40.333 1.225 1
1 715 . 17 1 1 A 61 61 ILE N N 61 118.375 122.080 -3.705 1
1 716 . 17 1 1 A 62 62 LYS H H 62 8.619 9.239 -0.620 1
1 717 . 17 1 1 A 62 62 LYS HA H 62 4.711 4.932 -0.221 1
1 726 . 17 1 1 A 62 62 LYS C C 62 174.636 176.141 -1.505 1
1 727 . 17 1 1 A 62 62 LYS CA C 62 53.947 55.431 -1.484 1
1 728 . 17 1 1 A 62 62 LYS CB C 62 35.677 34.014 1.663 1
1 732 . 17 1 1 A 62 62 LYS N N 62 128.701 127.522 1.179 1
1 733 . 17 1 1 A 63 63 VAL H H 63 8.946 8.829 0.117 1
1 734 . 17 1 1 A 63 63 VAL HA H 63 5.073 4.829 0.244 1
1 742 . 17 1 1 A 63 63 VAL C C 63 177.772 176.258 1.514 1
1 743 . 17 1 1 A 63 63 VAL CA C 63 59.734 60.945 -1.211 1
1 744 . 17 1 1 A 63 63 VAL CB C 63 36.210 34.382 1.828 1
1 747 . 17 1 1 A 63 63 VAL N N 63 120.053 123.394 -3.341 1
1 748 . 17 1 1 A 64 64 GLY H H 64 9.804 8.771 1.033 1
1 749 . 17 1 1 A 64 64 GLY HA2 H 64 4.415 3.962 0.453 1
1 750 . 17 1 1 A 64 64 GLY HA3 H 64 3.906 3.962 -0.056 1
1 751 . 17 1 1 A 64 64 GLY C C 64 176.864 175.194 1.670 1
1 752 . 17 1 1 A 64 64 GLY CA C 64 47.063 47.136 -0.073 1
1 753 . 17 1 1 A 64 64 GLY N N 64 118.354 115.342 3.012 1
1 754 . 17 1 1 A 65 65 GLN H H 65 9.045 8.823 0.222 1
1 755 . 17 1 1 A 65 65 GLN HA H 65 3.944 4.029 -0.085 1
1 762 . 17 1 1 A 65 65 GLN C C 65 176.698 177.820 -1.122 1
1 763 . 17 1 1 A 65 65 GLN CA C 65 57.793 59.226 -1.433 1
1 764 . 17 1 1 A 65 65 GLN CB C 65 27.822 28.801 -0.979 1
1 766 . 17 1 1 A 65 65 GLN N N 65 124.600 125.104 -0.504 1
1 768 . 17 1 1 A 66 66 GLU H H 66 7.886 7.830 0.056 1
1 769 . 17 1 1 A 66 66 GLU HA H 66 4.145 4.041 0.104 1
1 774 . 17 1 1 A 66 66 GLU C C 66 178.049 177.508 0.541 1
1 775 . 17 1 1 A 66 66 GLU CA C 66 57.564 59.504 -1.940 1
1 776 . 17 1 1 A 66 66 GLU CB C 66 31.236 29.382 1.854 1
1 778 . 17 1 1 A 66 66 GLU N N 66 116.486 118.346 -1.860 1
1 779 . 17 1 1 A 67 67 CYS H H 67 8.015 7.870 0.145 1
1 780 . 17 1 1 A 67 67 CYS HA H 67 4.331 4.297 0.034 1
1 783 . 17 1 1 A 67 67 CYS C C 67 175.278 174.441 0.837 1
1 784 . 17 1 1 A 67 67 CYS CA C 67 58.817 60.203 -1.386 1
1 785 . 17 1 1 A 67 67 CYS CB C 67 26.342 28.188 -1.846 1
1 786 . 17 1 1 A 67 67 CYS N N 67 119.526 117.666 1.860 1
1 787 . 17 1 1 A 68 68 GLN H H 68 7.983 9.028 -1.045 1
1 788 . 17 1 1 A 68 68 GLN HA H 68 4.199 4.568 -0.369 1
1 795 . 17 1 1 A 68 68 GLN C C 68 175.866 175.992 -0.126 1
1 796 . 17 1 1 A 68 68 GLN CA C 68 56.399 57.125 -0.726 1
1 797 . 17 1 1 A 68 68 GLN CB C 68 29.837 31.561 -1.724 1
1 799 . 17 1 1 A 68 68 GLN N N 68 120.826 127.303 -6.477 1
1 801 . 17 1 1 A 69 69 ASP H H 69 8.755 8.278 0.477 1
1 802 . 17 1 1 A 69 69 ASP HA H 69 4.395 4.834 -0.439 1
1 805 . 17 1 1 A 69 69 ASP C C 69 174.652 174.201 0.451 1
1 806 . 17 1 1 A 69 69 ASP CA C 69 54.546 53.679 0.867 1
1 807 . 17 1 1 A 69 69 ASP CB C 69 39.954 41.320 -1.366 1
1 808 . 17 1 1 A 69 69 ASP N N 69 117.691 117.009 0.682 1
1 809 . 17 1 1 A 70 70 VAL H H 70 7.245 7.544 -0.299 1
1 810 . 17 1 1 A 70 70 VAL HA H 70 4.173 4.814 -0.641 1
1 818 . 17 1 1 A 70 70 VAL C C 70 173.502 175.059 -1.557 1
1 819 . 17 1 1 A 70 70 VAL CA C 70 60.502 61.056 -0.554 1
1 820 . 17 1 1 A 70 70 VAL CB C 70 34.397 35.089 -0.692 1
1 823 . 17 1 1 A 70 70 VAL N N 70 116.632 119.575 -2.943 1
1 824 . 17 1 1 A 71 71 GLN H H 71 8.513 8.996 -0.483 1
1 825 . 17 1 1 A 71 71 GLN HA H 71 4.758 5.058 -0.300 1
1 832 . 17 1 1 A 71 71 GLN C C 71 173.404 174.113 -0.709 1
1 833 . 17 1 1 A 71 71 GLN CA C 71 52.093 53.358 -1.265 1
1 834 . 17 1 1 A 71 71 GLN CB C 71 29.467 31.027 -1.560 1
1 836 . 17 1 1 A 71 71 GLN N N 71 125.361 125.298 0.063 1
1 838 . 17 1 1 A 72 72 PRO HA H 72 3.955 4.196 -0.241 1
1 845 . 17 1 1 A 72 72 PRO CA C 72 61.219 61.525 -0.306 1
1 846 . 17 1 1 A 72 72 PRO CB C 72 30.548 31.576 -1.028 1
1 849 . 17 1 1 A 73 73 PRO HA H 73 3.584 4.275 -0.691 1
1 856 . 17 1 1 A 73 73 PRO C C 73 175.005 175.931 -0.926 1
1 857 . 17 1 1 A 73 73 PRO CA C 73 61.764 61.789 -0.025 1
1 858 . 17 1 1 A 73 73 PRO CB C 73 30.080 32.500 -2.420 1
1 861 . 17 1 1 A 74 74 GLU H H 74 8.066 8.358 -0.292 1
1 862 . 17 1 1 A 74 74 GLU HA H 74 3.766 3.832 -0.066 1
1 867 . 17 1 1 A 74 74 GLU C C 74 177.415 177.016 0.399 1
1 868 . 17 1 1 A 74 74 GLU CA C 74 58.005 58.169 -0.164 1
1 869 . 17 1 1 A 74 74 GLU CB C 74 29.340 29.229 0.111 1
1 871 . 17 1 1 A 74 74 GLU N N 74 120.425 121.572 -1.147 1
1 872 . 17 1 1 A 75 75 GLY H H 75 8.576 8.861 -0.285 1
1 873 . 17 1 1 A 75 75 GLY HA2 H 75 4.024 3.866 0.158 1
1 874 . 17 1 1 A 75 75 GLY HA3 H 75 3.568 3.902 -0.334 1
1 875 . 17 1 1 A 75 75 GLY C C 75 174.093 174.338 -0.245 1
1 876 . 17 1 1 A 75 75 GLY CA C 75 45.299 45.078 0.221 1
1 877 . 17 1 1 A 75 75 GLY N N 75 112.779 114.870 -2.091 1
1 878 . 17 1 1 A 76 76 ARG H H 76 7.791 7.391 0.400 1
1 879 . 17 1 1 A 76 76 ARG HA H 76 4.444 4.159 0.285 1
1 887 . 17 1 1 A 76 76 ARG C C 76 175.188 175.157 0.031 1
1 888 . 17 1 1 A 76 76 ARG CA C 76 54.617 56.365 -1.748 1
1 889 . 17 1 1 A 76 76 ARG CB C 76 31.030 31.089 -0.059 1
1 892 . 17 1 1 A 76 76 ARG N N 76 121.088 121.373 -0.285 1
1 894 . 17 1 1 A 77 77 SER H H 77 8.235 8.425 -0.190 1
1 895 . 17 1 1 A 77 77 SER HA H 77 4.405 4.955 -0.550 1
1 898 . 17 1 1 A 77 77 SER C C 77 176.069 174.903 1.166 1
1 899 . 17 1 1 A 77 77 SER CA C 77 56.805 55.908 0.897 1
1 900 . 17 1 1 A 77 77 SER CB C 77 64.136 66.235 -2.099 1
1 901 . 17 1 1 A 77 77 SER N N 77 113.991 112.726 1.265 1
1 902 . 17 1 1 A 78 78 ARG H H 78 8.745 8.918 -0.173 1
1 903 . 17 1 1 A 78 78 ARG HA H 78 3.774 4.171 -0.397 1
1 909 . 17 1 1 A 78 78 ARG C C 78 176.758 177.066 -0.308 1
1 910 . 17 1 1 A 78 78 ARG CA C 78 58.341 58.343 -0.002 1
1 911 . 17 1 1 A 78 78 ARG CB C 78 30.043 30.013 0.030 1
1 914 . 17 1 1 A 78 78 ARG N N 78 122.262 120.656 1.606 1
1 915 . 17 1 1 A 79 79 ASP H H 79 8.106 7.912 0.194 1
1 916 . 17 1 1 A 79 79 ASP HA H 79 4.175 4.470 -0.295 1
1 919 . 17 1 1 A 79 79 ASP C C 79 175.579 177.767 -2.188 1
1 920 . 17 1 1 A 79 79 ASP CA C 79 57.159 56.000 1.159 1
1 921 . 17 1 1 A 79 79 ASP CB C 79 40.900 41.015 -0.115 1
1 922 . 17 1 1 A 79 79 ASP N N 79 115.963 117.838 -1.875 1
1 923 . 17 1 1 A 80 80 GLY H H 80 7.305 7.957 -0.652 1
1 924 . 17 1 1 A 80 80 GLY HA2 H 80 4.047 3.949 0.098 1
1 925 . 17 1 1 A 80 80 GLY HA3 H 80 3.387 3.972 -0.585 1
1 926 . 17 1 1 A 80 80 GLY C C 80 174.263 174.054 0.209 1
1 927 . 17 1 1 A 80 80 GLY CA C 80 44.276 45.333 -1.057 1
1 928 . 17 1 1 A 80 80 GLY N N 80 101.592 107.333 -5.741 1
1 929 . 17 1 1 A 81 81 LEU H H 81 7.307 7.509 -0.202 1
1 930 . 17 1 1 A 81 81 LEU HA H 81 4.494 4.504 -0.010 1
1 940 . 17 1 1 A 81 81 LEU C C 81 176.212 175.617 0.595 1
1 941 . 17 1 1 A 81 81 LEU CA C 81 56.346 54.085 2.261 1
1 942 . 17 1 1 A 81 81 LEU CB C 81 44.025 42.376 1.649 1
1 946 . 17 1 1 A 81 81 LEU N N 81 121.062 120.978 0.084 1
1 947 . 17 1 1 A 82 82 LEU H H 82 8.286 9.228 -0.942 1
1 948 . 17 1 1 A 82 82 LEU HA H 82 5.260 5.250 0.010 1
1 958 . 17 1 1 A 82 82 LEU C C 82 175.122 174.795 0.327 1
1 959 . 17 1 1 A 82 82 LEU CA C 82 55.334 53.796 1.538 1
1 960 . 17 1 1 A 82 82 LEU CB C 82 46.064 44.864 1.200 1
1 964 . 17 1 1 A 82 82 LEU N N 82 118.524 128.511 -9.987 1
1 965 . 17 1 1 A 83 83 THR H H 83 9.095 9.281 -0.186 1
1 966 . 17 1 1 A 83 83 THR HA H 83 5.305 5.226 0.079 1
1 971 . 17 1 1 A 83 83 THR C C 83 173.754 173.573 0.181 1
1 972 . 17 1 1 A 83 83 THR CA C 83 61.076 61.613 -0.537 1
1 973 . 17 1 1 A 83 83 THR CB C 83 71.268 70.526 0.742 1
1 975 . 17 1 1 A 83 83 THR N N 83 120.894 123.750 -2.856 1
1 976 . 17 1 1 A 84 84 VAL H H 84 9.175 9.098 0.077 1
1 977 . 17 1 1 A 84 84 VAL HA H 84 4.205 4.552 -0.347 1
1 985 . 17 1 1 A 84 84 VAL C C 84 173.741 174.537 -0.796 1
1 986 . 17 1 1 A 84 84 VAL CA C 84 61.182 60.892 0.290 1
1 987 . 17 1 1 A 84 84 VAL CB C 84 32.921 34.109 -1.188 1
1 990 . 17 1 1 A 84 84 VAL N N 84 127.342 127.285 0.057 1
1 991 . 17 1 1 A 85 85 ASN H H 85 8.597 9.133 -0.536 1
1 992 . 17 1 1 A 85 85 ASN HA H 85 4.960 5.150 -0.190 1
1 997 . 17 1 1 A 85 85 ASN C C 85 174.440 174.219 0.221 1
1 998 . 17 1 1 A 85 85 ASN CA C 85 52.870 52.581 0.289 1
1 999 . 17 1 1 A 85 85 ASN CB C 85 39.214 40.470 -1.256 1
1 1000 . 17 1 1 A 85 85 ASN N N 85 125.999 125.633 0.366 1
1 1002 . 17 1 1 A 86 86 LEU H H 86 8.283 9.006 -0.723 1
1 1003 . 17 1 1 A 86 86 LEU HA H 86 5.176 4.955 0.221 1
1 1013 . 17 1 1 A 86 86 LEU C C 86 178.644 177.136 1.508 1
1 1014 . 17 1 1 A 86 86 LEU CA C 86 53.700 53.264 0.436 1
1 1015 . 17 1 1 A 86 86 LEU CB C 86 42.298 43.764 -1.466 1
1 1019 . 17 1 1 A 86 86 LEU N N 86 125.763 124.203 1.560 1
1 1020 . 17 1 1 A 87 87 ARG H H 87 8.655 9.051 -0.396 1
1 1021 . 17 1 1 A 87 87 ARG HA H 87 3.905 3.926 -0.021 1
1 1028 . 17 1 1 A 87 87 ARG C C 87 177.223 178.076 -0.853 1
1 1029 . 17 1 1 A 87 87 ARG CA C 87 59.717 59.928 -0.211 1
1 1030 . 17 1 1 A 87 87 ARG CB C 87 29.280 30.401 -1.121 1
1 1033 . 17 1 1 A 87 87 ARG N N 87 123.105 123.172 -0.067 1
1 1034 . 17 1 1 A 88 88 GLU H H 88 8.525 8.327 0.198 1
1 1035 . 17 1 1 A 88 88 GLU HA H 88 4.515 4.196 0.319 1
1 1040 . 17 1 1 A 88 88 GLU C C 88 175.762 176.821 -1.059 1
1 1041 . 17 1 1 A 88 88 GLU CA C 88 55.852 58.001 -2.149 1
1 1042 . 17 1 1 A 88 88 GLU CB C 88 30.249 29.656 0.593 1
1 1044 . 17 1 1 A 88 88 GLU N N 88 117.722 116.249 1.473 1
1 1045 . 17 1 1 A 89 89 GLY H H 89 8.063 7.766 0.297 1
1 1046 . 17 1 1 A 89 89 GLY HA2 H 89 3.735 4.063 -0.328 1
1 1047 . 17 1 1 A 89 89 GLY HA3 H 89 4.536 4.066 0.470 1
1 1048 . 17 1 1 A 89 89 GLY C C 89 173.864 173.628 0.236 1
1 1049 . 17 1 1 A 89 89 GLY CA C 89 44.222 45.401 -1.179 1
1 1050 . 17 1 1 A 89 89 GLY N N 89 110.616 109.538 1.078 1
1 1051 . 17 1 1 A 90 90 SER H H 90 8.094 7.875 0.219 1
1 1052 . 17 1 1 A 90 90 SER HA H 90 4.484 4.943 -0.459 1
1 1055 . 17 1 1 A 90 90 SER C C 90 172.813 172.771 0.042 1
1 1056 . 17 1 1 A 90 90 SER CA C 90 58.552 57.609 0.943 1
1 1057 . 17 1 1 A 90 90 SER CB C 90 63.915 66.672 -2.757 1
1 1058 . 17 1 1 A 90 90 SER N N 90 116.620 114.575 2.045 1
1 1059 . 17 1 1 A 91 91 ARG H H 91 8.285 8.742 -0.457 1
1 1060 . 17 1 1 A 91 91 ARG HA H 91 4.725 5.118 -0.393 1
1 1067 . 17 1 1 A 91 91 ARG C C 91 175.511 174.555 0.956 1
1 1068 . 17 1 1 A 91 91 ARG CA C 91 55.870 53.493 2.377 1
1 1069 . 17 1 1 A 91 91 ARG CB C 91 32.058 34.447 -2.389 1
1 1072 . 17 1 1 A 91 91 ARG N N 91 121.045 119.237 1.808 1
1 1073 . 17 1 1 A 92 92 LEU H H 92 8.485 9.056 -0.571 1
1 1074 . 17 1 1 A 92 92 LEU HA H 92 4.555 4.796 -0.241 1
1 1084 . 17 1 1 A 92 92 LEU C C 92 174.815 175.454 -0.639 1
1 1085 . 17 1 1 A 92 92 LEU CA C 92 53.629 53.788 -0.159 1
1 1086 . 17 1 1 A 92 92 LEU CB C 92 44.066 43.897 0.169 1
1 1090 . 17 1 1 A 92 92 LEU N N 92 123.633 120.660 2.973 1
1 1091 . 17 1 1 A 93 93 HIS H H 93 8.871 8.898 -0.027 1
1 1092 . 17 1 1 A 93 93 HIS HA H 93 5.135 4.917 0.218 1
1 1097 . 17 1 1 A 93 93 HIS C C 93 173.251 174.942 -1.691 1
1 1098 . 17 1 1 A 93 93 HIS CA C 93 56.135 55.458 0.677 1
1 1099 . 17 1 1 A 93 93 HIS CB C 93 30.701 30.332 0.369 1
1 1101 . 17 1 1 A 93 93 HIS N N 93 124.492 123.673 0.819 1
1 1102 . 17 1 1 A 94 94 LEU H H 94 9.105 8.865 0.240 1
1 1103 . 17 1 1 A 94 94 LEU HA H 94 5.940 5.460 0.480 1
1 1113 . 17 1 1 A 94 94 LEU C C 94 177.396 175.907 1.489 1
1 1114 . 17 1 1 A 94 94 LEU CA C 94 52.552 53.509 -0.957 1
1 1115 . 17 1 1 A 94 94 LEU CB C 94 45.465 46.325 -0.860 1
1 1119 . 17 1 1 A 94 94 LEU N N 94 122.911 124.496 -1.585 1
1 1120 . 17 1 1 A 95 95 CYS H H 95 8.953 8.609 0.344 1
1 1121 . 17 1 1 A 95 95 CYS HA H 95 4.863 5.414 -0.551 1
1 1124 . 17 1 1 A 95 95 CYS C C 95 172.585 174.127 -1.542 1
1 1125 . 17 1 1 A 95 95 CYS CA C 95 59.964 57.917 2.047 1
1 1126 . 17 1 1 A 95 95 CYS CB C 95 29.220 30.418 -1.198 1
1 1127 . 17 1 1 A 95 95 CYS N N 95 118.920 120.326 -1.406 1
1 1128 . 17 1 1 A 96 96 ALA H H 96 9.465 9.118 0.347 1
1 1129 . 17 1 1 A 96 96 ALA HA H 96 5.035 4.729 0.306 1
1 1133 . 17 1 1 A 96 96 ALA C C 96 177.396 178.493 -1.097 1
1 1134 . 17 1 1 A 96 96 ALA CA C 96 50.205 51.609 -1.404 1
1 1135 . 17 1 1 A 96 96 ALA CB C 96 21.571 20.288 1.283 1
1 1136 . 17 1 1 A 96 96 ALA N N 96 132.924 129.388 3.536 1
1 1137 . 17 1 1 A 97 97 GLU H H 97 9.636 8.812 0.824 1
1 1138 . 17 1 1 A 97 97 GLU HA H 97 4.344 4.369 -0.025 1
1 1143 . 17 1 1 A 97 97 GLU C C 97 176.882 176.682 0.200 1
1 1144 . 17 1 1 A 97 97 GLU CA C 97 58.040 58.876 -0.836 1
1 1145 . 17 1 1 A 97 97 GLU CB C 97 30.207 31.075 -0.868 1
1 1147 . 17 1 1 A 97 97 GLU N N 97 116.636 118.244 -1.608 1
1 1148 . 17 1 1 A 98 98 THR H H 98 7.155 7.696 -0.541 1
1 1149 . 17 1 1 A 98 98 THR HA H 98 4.684 4.644 0.040 1
1 1154 . 17 1 1 A 98 98 THR C C 98 174.259 174.770 -0.511 1
1 1155 . 17 1 1 A 98 98 THR CA C 98 58.323 59.884 -1.561 1
1 1156 . 17 1 1 A 98 98 THR CB C 98 73.529 72.791 0.738 1
1 1158 . 17 1 1 A 98 98 THR N N 98 102.167 111.317 -9.150 1
1 1159 . 17 1 1 A 99 99 ARG H H 99 9.025 8.804 0.221 1
1 1160 . 17 1 1 A 99 99 ARG HA H 99 4.056 4.250 -0.194 1
1 1167 . 17 1 1 A 99 99 ARG C C 99 177.995 177.917 0.078 1
1 1168 . 17 1 1 A 99 99 ARG CA C 99 59.029 59.133 -0.104 1
1 1169 . 17 1 1 A 99 99 ARG CB C 99 30.208 29.849 0.359 1
1 1172 . 17 1 1 A 99 99 ARG N N 99 122.747 120.733 2.014 1
1 1173 . 17 1 1 A 100 100 ASP H H 100 8.387 8.306 0.081 1
1 1174 . 17 1 1 A 100 100 ASP HA H 100 4.306 4.327 -0.021 1
1 1177 . 17 1 1 A 100 100 ASP C C 100 179.110 177.930 1.180 1
1 1178 . 17 1 1 A 100 100 ASP CA C 100 57.475 57.338 0.137 1
1 1179 . 17 1 1 A 100 100 ASP CB C 100 40.201 41.347 -1.146 1
1 1180 . 17 1 1 A 100 100 ASP N N 100 116.422 119.738 -3.316 1
1 1181 . 17 1 1 A 101 101 ASP H H 101 8.046 7.713 0.333 1
1 1182 . 17 1 1 A 101 101 ASP HA H 101 4.576 4.368 0.208 1
1 1185 . 17 1 1 A 101 101 ASP C C 101 177.751 178.586 -0.835 1
1 1186 . 17 1 1 A 101 101 ASP CA C 101 57.229 57.340 -0.111 1
1 1187 . 17 1 1 A 101 101 ASP CB C 101 42.093 40.384 1.709 1
1 1188 . 17 1 1 A 101 101 ASP N N 101 120.742 118.267 2.475 1
1 1189 . 17 1 1 A 102 102 ALA H H 102 7.674 7.682 -0.008 1
1 1190 . 17 1 1 A 102 102 ALA HA H 102 4.084 4.206 -0.122 1
1 1194 . 17 1 1 A 102 102 ALA C C 102 179.609 179.908 -0.299 1
1 1195 . 17 1 1 A 102 102 ALA CA C 102 56.364 55.247 1.117 1
1 1196 . 17 1 1 A 102 102 ALA CB C 102 17.952 18.577 -0.625 1
1 1197 . 17 1 1 A 102 102 ALA N N 102 122.523 121.728 0.795 1
1 1198 . 17 1 1 A 103 103 ILE H H 103 8.499 8.391 0.108 1
1 1199 . 17 1 1 A 103 103 ILE HA H 103 3.681 3.705 -0.024 1
1 1209 . 17 1 1 A 103 103 ILE C C 103 178.622 177.926 0.696 1
1 1210 . 17 1 1 A 103 103 ILE CA C 103 64.182 65.394 -1.212 1
1 1211 . 17 1 1 A 103 103 ILE CB C 103 37.240 37.569 -0.329 1
1 1215 . 17 1 1 A 103 103 ILE N N 103 117.417 117.966 -0.549 1
1 1216 . 17 1 1 A 104 104 ALA H H 104 8.174 8.430 -0.256 1
1 1217 . 17 1 1 A 104 104 ALA HA H 104 4.095 4.027 0.068 1
1 1221 . 17 1 1 A 104 104 ALA C C 104 181.998 180.001 1.997 1
1 1222 . 17 1 1 A 104 104 ALA CA C 104 55.517 55.221 0.296 1
1 1223 . 17 1 1 A 104 104 ALA CB C 104 17.294 18.517 -1.223 1
1 1224 . 17 1 1 A 104 104 ALA N N 104 124.916 122.090 2.826 1
1 1225 . 17 1 1 A 105 105 TRP H H 105 8.365 8.083 0.282 1
1 1226 . 17 1 1 A 105 105 TRP HA H 105 4.025 4.415 -0.390 1
1 1235 . 17 1 1 A 105 105 TRP C C 105 177.969 178.759 -0.790 1
1 1236 . 17 1 1 A 105 105 TRP CA C 105 62.011 60.173 1.838 1
1 1237 . 17 1 1 A 105 105 TRP CB C 105 29.179 28.978 0.201 1
1 1243 . 17 1 1 A 105 105 TRP N N 105 119.726 118.274 1.452 1
1 1245 . 17 1 1 A 106 106 LYS H H 106 8.746 7.882 0.864 1
1 1246 . 17 1 1 A 106 106 LYS HA H 106 3.805 4.132 -0.327 1
1 1255 . 17 1 1 A 106 106 LYS C C 106 177.626 179.090 -1.464 1
1 1256 . 17 1 1 A 106 106 LYS CA C 106 60.865 59.510 1.355 1
1 1257 . 17 1 1 A 106 106 LYS CB C 106 31.606 32.333 -0.727 1
1 1261 . 17 1 1 A 106 106 LYS N N 106 120.565 120.100 0.465 1
1 1262 . 17 1 1 A 107 107 THR H H 107 8.714 7.634 1.080 1
1 1263 . 17 1 1 A 107 107 THR HA H 107 3.774 3.878 -0.104 1
1 1268 . 17 1 1 A 107 107 THR C C 107 176.238 176.419 -0.181 1
1 1269 . 17 1 1 A 107 107 THR CA C 107 66.688 66.620 0.068 1
1 1270 . 17 1 1 A 107 107 THR CB C 107 69.065 68.729 0.336 1
1 1272 . 17 1 1 A 107 107 THR N N 107 115.018 117.439 -2.421 1
1 1273 . 17 1 1 A 108 108 ALA H H 108 7.769 7.980 -0.211 1
1 1274 . 17 1 1 A 108 108 ALA HA H 108 4.094 4.077 0.017 1
1 1278 . 17 1 1 A 108 108 ALA C C 108 180.611 180.014 0.597 1
1 1279 . 17 1 1 A 108 108 ALA CA C 108 55.005 54.974 0.031 1
1 1280 . 17 1 1 A 108 108 ALA CB C 108 18.015 18.163 -0.148 1
1 1281 . 17 1 1 A 108 108 ALA N N 108 123.150 123.902 -0.752 1
1 1282 . 17 1 1 A 109 109 LEU H H 109 8.795 8.486 0.309 1
1 1283 . 17 1 1 A 109 109 LEU HA H 109 4.045 4.145 -0.100 1
1 1293 . 17 1 1 A 109 109 LEU C C 109 178.758 179.087 -0.329 1
1 1294 . 17 1 1 A 109 109 LEU CA C 109 58.093 57.838 0.255 1
1 1295 . 17 1 1 A 109 109 LEU CB C 109 42.298 42.211 0.087 1
1 1299 . 17 1 1 A 109 109 LEU N N 109 118.714 120.503 -1.789 1
1 1300 . 17 1 1 A 110 110 MET H H 110 8.582 8.706 -0.124 1
1 1301 . 17 1 1 A 110 110 MET HA H 110 4.404 4.042 0.362 1
1 1309 . 17 1 1 A 110 110 MET C C 110 180.290 178.944 1.346 1
1 1310 . 17 1 1 A 110 110 MET CA C 110 56.876 58.988 -2.112 1
1 1311 . 17 1 1 A 110 110 MET CB C 110 30.002 32.431 -2.429 1
1 1314 . 17 1 1 A 110 110 MET N N 110 117.122 116.671 0.451 1
1 1315 . 17 1 1 A 111 111 GLU H H 111 8.062 8.114 -0.052 1
1 1316 . 17 1 1 A 111 111 GLU HA H 111 4.126 4.030 0.096 1
1 1321 . 17 1 1 A 111 111 GLU C C 111 179.237 178.741 0.496 1
1 1322 . 17 1 1 A 111 111 GLU CA C 111 59.435 58.931 0.504 1
1 1323 . 17 1 1 A 111 111 GLU CB C 111 29.015 29.488 -0.473 1
1 1325 . 17 1 1 A 111 111 GLU N N 111 121.532 118.546 2.986 1
1 1326 . 17 1 1 A 112 112 ALA H H 112 7.975 7.786 0.189 1
1 1327 . 17 1 1 A 112 112 ALA HA H 112 4.265 4.162 0.103 1
1 1331 . 17 1 1 A 112 112 ALA C C 112 179.608 179.987 -0.379 1
1 1332 . 17 1 1 A 112 112 ALA CA C 112 54.158 55.015 -0.857 1
1 1333 . 17 1 1 A 112 112 ALA CB C 112 19.530 18.577 0.953 1
1 1334 . 17 1 1 A 112 112 ALA N N 112 121.838 122.515 -0.677 1
1 1335 . 17 1 1 A 113 113 ASN H H 113 8.115 8.138 -0.023 1
1 1336 . 17 1 1 A 113 113 ASN HA H 113 4.822 4.654 0.168 1
1 1341 . 17 1 1 A 113 113 ASN C C 113 176.296 175.853 0.443 1
1 1342 . 17 1 1 A 113 113 ASN CA C 113 56.311 55.975 0.336 1
1 1343 . 17 1 1 A 113 113 ASN CB C 113 40.283 38.665 1.618 1
1 1344 . 17 1 1 A 113 113 ASN N N 113 115.563 117.997 -2.434 1
1 1346 . 17 1 1 A 114 114 SER H H 114 7.365 7.876 -0.511 1
1 1347 . 17 1 1 A 114 114 SER HA H 114 4.545 4.620 -0.075 1
1 1350 . 17 1 1 A 114 114 SER C C 114 174.126 173.128 0.998 1
1 1351 . 17 1 1 A 114 114 SER CA C 114 58.464 56.982 1.482 1
1 1352 . 17 1 1 A 114 114 SER CB C 114 64.400 63.484 0.916 1
1 1353 . 17 1 1 A 114 114 SER N N 114 108.652 112.506 -3.854 1
1 1354 . 17 1 1 A 115 115 THR H H 115 7.849 7.995 -0.146 1
1 1355 . 17 1 1 A 115 115 THR HA H 115 4.599 4.961 -0.362 1
1 1360 . 17 1 1 A 115 115 THR C C 115 172.337 172.396 -0.059 1
1 1361 . 17 1 1 A 115 115 THR CA C 115 60.817 59.216 1.601 1
1 1362 . 17 1 1 A 115 115 THR CB C 115 70.016 71.512 -1.496 1
1 1364 . 17 1 1 A 115 115 THR N N 115 118.885 117.885 1.000 1
1 1365 . 17 1 1 A 116 116 PRO HA H 116 4.404 4.749 -0.345 1
1 1372 . 17 1 1 A 116 116 PRO CA C 116 63.007 62.404 0.603 1
1 1373 . 17 1 1 A 116 116 PRO CB C 116 32.346 33.039 -0.693 1
1 1376 . 17 1 1 A 117 117 ALA H H 117 8.429 8.373 0.056 1
1 1377 . 17 1 1 A 117 117 ALA HA H 117 4.535 4.867 -0.332 1
1 1381 . 17 1 1 A 117 117 ALA CA C 117 50.359 49.621 0.738 1
1 1382 . 17 1 1 A 117 117 ALA CB C 117 18.069 20.299 -2.230 1
1 1383 . 17 1 1 A 117 117 ALA N N 117 125.693 122.820 2.873 1
1 1384 . 17 1 1 A 118 118 PRO HA H 118 4.377 4.551 -0.174 1
1 1391 . 17 1 1 A 118 118 PRO C C 118 176.656 176.526 0.130 1
1 1392 . 17 1 1 A 118 118 PRO CA C 118 63.105 63.804 -0.699 1
1 1393 . 17 1 1 A 118 118 PRO CB C 118 31.935 32.041 -0.106 1
1 1396 . 17 1 1 A 119 119 ALA H H 119 8.430 7.678 0.752 1
1 1397 . 17 1 1 A 119 119 ALA HA H 119 4.255 4.134 0.121 1
1 1401 . 17 1 1 A 119 119 ALA C C 119 178.416 177.274 1.142 1
1 1402 . 17 1 1 A 119 119 ALA CA C 119 52.744 53.661 -0.917 1
1 1403 . 17 1 1 A 119 119 ALA CB C 119 19.186 19.291 -0.105 1
1 1404 . 17 1 1 A 119 119 ALA N N 119 124.565 122.851 1.714 1
1 1405 . 17 1 1 A 120 120 GLY H H 120 8.375 8.745 -0.370 1
1 1406 . 17 1 1 A 120 120 GLY HA2 H 120 3.934 4.159 -0.225 1
1 1407 . 17 1 1 A 120 120 GLY HA3 H 120 3.934 4.160 -0.226 1
1 1408 . 17 1 1 A 120 120 GLY C C 120 173.810 172.216 1.594 1
1 1409 . 17 1 1 A 120 120 GLY CA C 120 45.176 45.252 -0.076 1
1 1410 . 17 1 1 A 120 120 GLY N N 120 108.353 111.345 -2.992 1
1 1411 . 17 1 1 A 121 121 ALA H H 121 8.116 8.564 -0.448 1
1 1412 . 17 1 1 A 121 121 ALA HA H 121 4.379 4.777 -0.398 1
1 1416 . 17 1 1 A 121 121 ALA C C 121 177.908 176.333 1.575 1
1 1417 . 17 1 1 A 121 121 ALA CA C 121 52.446 51.432 1.014 1
1 1418 . 17 1 1 A 121 121 ALA CB C 121 19.433 22.757 -3.324 1
1 1419 . 17 1 1 A 121 121 ALA N N 121 123.561 125.766 -2.205 1
1 1420 . 17 1 1 A 122 122 THR H H 122 8.212 8.487 -0.275 1
1 1421 . 17 1 1 A 122 122 THR C C 122 174.317 174.563 -0.246 1
1 1422 . 17 1 1 A 122 122 THR CA C 122 61.888 62.502 -0.614 1
1 1423 . 17 1 1 A 122 122 THR CB C 122 69.648 68.878 0.770 1
1 1425 . 17 1 1 A 122 122 THR N N 122 114.319 113.867 0.452 1
1 1426 . 17 1 1 A 123 123 VAL H H 123 8.222 8.451 -0.229 1
1 1427 . 17 1 1 A 123 123 VAL HA H 123 4.455 4.723 -0.268 1
1 1435 . 17 1 1 A 123 123 VAL C C 123 174.373 175.564 -1.191 1
1 1436 . 17 1 1 A 123 123 VAL CA C 123 59.717 58.538 1.179 1
1 1437 . 17 1 1 A 123 123 VAL CB C 123 32.593 33.198 -0.605 1
1 1440 . 17 1 1 A 123 123 VAL N N 123 124.311 123.410 0.901 1
1 1441 . 17 1 1 A 124 124 PRO HA H 124 4.403 4.407 -0.004 1
1 1446 . 17 1 1 A 124 124 PRO C C 124 176.873 176.621 0.252 1
1 1447 . 17 1 1 A 124 124 PRO CA C 124 63.211 63.510 -0.299 1
1 1448 . 17 1 1 A 124 124 PRO CB C 124 32.017 31.989 0.028 1
1 1451 . 17 1 1 A 125 125 SER H H 125 8.426 7.986 0.440 1
1 1452 . 17 1 1 A 125 125 SER HA H 125 4.448 4.160 0.288 1
1 1455 . 17 1 1 A 125 125 SER C C 125 174.598 173.428 1.170 1
1 1456 . 17 1 1 A 125 125 SER CA C 125 58.341 59.443 -1.102 1
1 1457 . 17 1 1 A 125 125 SER CB C 125 64.054 61.295 2.759 1
1 1458 . 17 1 1 A 125 125 SER N N 125 116.463 112.361 4.102 1
1 1459 . 17 1 1 A 126 126 GLY H H 126 8.233 7.632 0.601 1
1 1460 . 17 1 1 A 126 126 GLY C C 126 171.756 171.424 0.332 1
1 1461 . 17 1 1 A 126 126 GLY CA C 126 44.611 45.540 -0.929 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.445 4.155 0.290 1
1 4 . 18 1 1 A 6 6 SER C C 6 174.707 175.228 -0.521 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.482 59.794 -1.312 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.848 63.281 0.567 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.494 8.874 -0.380 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 4.105 4.106 -0.001 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 4.105 4.135 -0.030 1
1 10 . 18 1 1 A 7 7 GLY C C 7 172.961 174.070 -1.109 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.864 45.682 0.182 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.325 115.198 -4.873 1
1 13 . 18 1 1 A 8 8 LEU H H 8 8.295 7.852 0.443 1
1 14 . 18 1 1 A 8 8 LEU HA H 8 4.268 4.734 -0.466 1
1 24 . 18 1 1 A 8 8 LEU C C 8 176.773 176.112 0.661 1
1 25 . 18 1 1 A 8 8 LEU CA C 8 55.587 54.183 1.404 1
1 26 . 18 1 1 A 8 8 LEU CB C 8 43.367 43.179 0.188 1
1 30 . 18 1 1 A 8 8 LEU N N 8 123.800 122.956 0.844 1
1 31 . 18 1 1 A 9 9 VAL H H 9 9.290 8.985 0.305 1
1 32 . 18 1 1 A 9 9 VAL HA H 9 3.826 3.933 -0.107 1
1 40 . 18 1 1 A 9 9 VAL C C 9 176.540 175.763 0.777 1
1 41 . 18 1 1 A 9 9 VAL CA C 9 64.888 64.256 0.632 1
1 42 . 18 1 1 A 9 9 VAL CB C 9 32.264 32.366 -0.102 1
1 45 . 18 1 1 A 9 9 VAL N N 9 129.415 127.347 2.068 1
1 46 . 18 1 1 A 10 10 ARG H H 10 7.135 7.580 -0.445 1
1 47 . 18 1 1 A 10 10 ARG HA H 10 4.126 4.658 -0.532 1
1 55 . 18 1 1 A 10 10 ARG C C 10 171.942 174.677 -2.735 1
1 56 . 18 1 1 A 10 10 ARG CA C 10 55.800 54.711 1.089 1
1 57 . 18 1 1 A 10 10 ARG CB C 10 32.223 33.563 -1.340 1
1 60 . 18 1 1 A 10 10 ARG N N 10 117.246 117.735 -0.489 1
1 62 . 18 1 1 A 11 11 GLY H H 11 8.390 8.145 0.245 1
1 63 . 18 1 1 A 11 11 GLY HA2 H 11 3.204 4.018 -0.814 1
1 64 . 18 1 1 A 11 11 GLY HA3 H 11 5.336 4.046 1.290 1
1 65 . 18 1 1 A 11 11 GLY C C 11 172.895 171.934 0.961 1
1 66 . 18 1 1 A 11 11 GLY CA C 11 43.481 44.974 -1.493 1
1 67 . 18 1 1 A 11 11 GLY N N 11 113.527 110.211 3.316 1
1 68 . 18 1 1 A 12 12 GLY H H 12 7.935 6.551 1.384 1
1 69 . 18 1 1 A 12 12 GLY C C 12 171.502 171.710 -0.208 1
1 70 . 18 1 1 A 12 12 GLY CA C 12 46.093 44.687 1.406 1
1 71 . 18 1 1 A 13 13 TRP H H 13 8.904 8.451 0.453 1
1 72 . 18 1 1 A 13 13 TRP HA H 13 5.205 5.624 -0.419 1
1 81 . 18 1 1 A 13 13 TRP C C 13 177.926 175.747 2.179 1
1 82 . 18 1 1 A 13 13 TRP CA C 13 57.846 55.501 2.345 1
1 83 . 18 1 1 A 13 13 TRP CB C 13 30.290 32.649 -2.359 1
1 89 . 18 1 1 A 13 13 TRP N N 13 121.758 120.681 1.077 1
1 91 . 18 1 1 A 14 14 LEU H H 14 9.295 9.082 0.213 1
1 92 . 18 1 1 A 14 14 LEU HA H 14 4.683 4.911 -0.228 1
1 102 . 18 1 1 A 14 14 LEU C C 14 175.828 175.953 -0.125 1
1 103 . 18 1 1 A 14 14 LEU CA C 14 54.670 53.458 1.212 1
1 104 . 18 1 1 A 14 14 LEU CB C 14 47.562 45.428 2.134 1
1 108 . 18 1 1 A 14 14 LEU N N 14 123.447 123.838 -0.391 1
1 109 . 18 1 1 A 15 15 TRP H H 15 8.655 8.711 -0.056 1
1 110 . 18 1 1 A 15 15 TRP HA H 15 5.315 5.294 0.021 1
1 119 . 18 1 1 A 15 15 TRP C C 15 175.899 175.896 0.003 1
1 120 . 18 1 1 A 15 15 TRP CA C 15 57.159 57.541 -0.382 1
1 121 . 18 1 1 A 15 15 TRP CB C 15 30.759 30.139 0.620 1
1 127 . 18 1 1 A 15 15 TRP N N 15 119.571 125.145 -5.574 1
1 129 . 18 1 1 A 16 16 ARG H H 16 10.145 9.564 0.581 1
1 130 . 18 1 1 A 16 16 ARG HA H 16 5.495 5.401 0.094 1
1 138 . 18 1 1 A 16 16 ARG C C 16 174.930 175.523 -0.593 1
1 139 . 18 1 1 A 16 16 ARG CA C 16 54.334 54.396 -0.062 1
1 140 . 18 1 1 A 16 16 ARG CB C 16 34.808 33.334 1.474 1
1 143 . 18 1 1 A 16 16 ARG N N 16 121.997 126.131 -4.134 1
1 145 . 18 1 1 A 17 17 GLN H H 17 8.233 8.042 0.191 1
1 146 . 18 1 1 A 17 17 GLN HA H 17 3.797 4.077 -0.280 1
1 153 . 18 1 1 A 17 17 GLN C C 17 175.654 175.626 0.028 1
1 154 . 18 1 1 A 17 17 GLN CA C 17 55.446 55.081 0.365 1
1 155 . 18 1 1 A 17 17 GLN CB C 17 29.056 28.864 0.192 1
1 157 . 18 1 1 A 17 17 GLN N N 17 128.414 127.813 0.601 1
1 159 . 18 1 1 A 18 18 SER H H 18 8.635 8.449 0.186 1
1 160 . 18 1 1 A 18 18 SER HA H 18 4.575 4.536 0.039 1
1 163 . 18 1 1 A 18 18 SER C C 18 175.585 174.088 1.497 1
1 164 . 18 1 1 A 18 18 SER CA C 18 57.246 58.162 -0.916 1
1 165 . 18 1 1 A 18 18 SER CB C 18 64.012 63.936 0.076 1
1 166 . 18 1 1 A 18 18 SER N N 18 122.600 121.430 1.170 1
1 167 . 18 1 1 A 20 20 ILE H H 20 7.976 7.514 0.462 1
1 168 . 18 1 1 A 20 20 ILE HA H 20 4.036 4.127 -0.091 1
1 178 . 18 1 1 A 20 20 ILE C C 20 176.929 177.728 -0.799 1
1 179 . 18 1 1 A 20 20 ILE CA C 20 62.929 62.799 0.130 1
1 180 . 18 1 1 A 20 20 ILE CB C 20 37.912 39.323 -1.411 1
1 184 . 18 1 1 A 20 20 ILE N N 20 120.700 117.791 2.909 1
1 185 . 18 1 1 A 21 21 LEU H H 21 8.089 7.362 0.727 1
1 186 . 18 1 1 A 21 21 LEU HA H 21 4.159 4.192 -0.033 1
1 196 . 18 1 1 A 21 21 LEU C C 21 176.455 175.968 0.487 1
1 197 . 18 1 1 A 21 21 LEU CA C 21 55.287 56.952 -1.665 1
1 198 . 18 1 1 A 21 21 LEU CB C 21 42.051 41.942 0.109 1
1 202 . 18 1 1 A 21 21 LEU N N 21 119.540 121.882 -2.342 1
1 203 . 18 1 1 A 22 22 ARG H H 22 7.687 7.738 -0.051 1
1 204 . 18 1 1 A 22 22 ARG HA H 22 3.806 3.717 0.089 1
1 211 . 18 1 1 A 22 22 ARG C C 22 175.087 174.506 0.581 1
1 212 . 18 1 1 A 22 22 ARG CA C 22 56.788 57.014 -0.226 1
1 213 . 18 1 1 A 22 22 ARG CB C 22 27.130 27.783 -0.653 1
1 216 . 18 1 1 A 22 22 ARG N N 22 114.383 117.241 -2.858 1
1 217 . 18 1 1 A 23 23 ARG H H 23 7.392 7.613 -0.221 1
1 218 . 18 1 1 A 23 23 ARG HA H 23 4.603 4.767 -0.164 1
1 225 . 18 1 1 A 23 23 ARG C C 23 176.112 174.396 1.716 1
1 226 . 18 1 1 A 23 23 ARG CA C 23 54.846 55.017 -0.171 1
1 227 . 18 1 1 A 23 23 ARG CB C 23 32.387 33.814 -1.427 1
1 230 . 18 1 1 A 23 23 ARG N N 23 115.846 117.872 -2.026 1
1 231 . 18 1 1 A 24 24 TRP H H 24 9.013 8.804 0.209 1
1 232 . 18 1 1 A 24 24 TRP HA H 24 5.154 5.192 -0.038 1
1 241 . 18 1 1 A 24 24 TRP C C 24 176.347 176.616 -0.269 1
1 242 . 18 1 1 A 24 24 TRP CA C 24 57.546 57.979 -0.433 1
1 243 . 18 1 1 A 24 24 TRP CB C 24 31.112 30.608 0.504 1
1 249 . 18 1 1 A 24 24 TRP N N 24 123.861 126.559 -2.698 1
1 251 . 18 1 1 A 25 25 LYS H H 25 9.553 9.769 -0.216 1
1 252 . 18 1 1 A 25 25 LYS HA H 25 4.992 5.476 -0.484 1
1 261 . 18 1 1 A 25 25 LYS C C 25 173.887 175.529 -1.642 1
1 262 . 18 1 1 A 25 25 LYS CA C 25 55.023 54.674 0.349 1
1 263 . 18 1 1 A 25 25 LYS CB C 25 35.965 36.390 -0.425 1
1 267 . 18 1 1 A 25 25 LYS N N 25 123.241 120.907 2.334 1
1 268 . 18 1 1 A 26 26 ARG H H 26 8.705 8.482 0.223 1
1 269 . 18 1 1 A 26 26 ARG HA H 26 4.494 4.010 0.484 1
1 276 . 18 1 1 A 26 26 ARG C C 26 175.755 176.536 -0.781 1
1 277 . 18 1 1 A 26 26 ARG CA C 26 56.046 56.327 -0.281 1
1 278 . 18 1 1 A 26 26 ARG CB C 26 30.783 30.476 0.307 1
1 281 . 18 1 1 A 26 26 ARG N N 26 124.843 122.353 2.490 1
1 282 . 18 1 1 A 27 27 ASN H H 27 9.100 8.774 0.326 1
1 283 . 18 1 1 A 27 27 ASN HA H 27 5.235 5.338 -0.103 1
1 288 . 18 1 1 A 27 27 ASN CA C 27 54.041 52.145 1.896 1
1 289 . 18 1 1 A 27 27 ASN CB C 27 46.737 42.480 4.257 1
1 290 . 18 1 1 A 27 27 ASN N N 27 123.044 120.898 2.146 1
1 292 . 18 1 1 A 28 28 TRP H H 28 7.835 8.370 -0.535 1
1 293 . 18 1 1 A 28 28 TRP HA H 28 4.105 4.740 -0.635 1
1 299 . 18 1 1 A 28 28 TRP N N 28 122.540 126.426 -3.886 1
1 300 . 18 1 1 A 29 29 PHE H H 29 8.755 8.903 -0.148 1
1 301 . 18 1 1 A 29 29 PHE HA H 29 5.001 4.896 0.105 1
1 309 . 18 1 1 A 29 29 PHE CA C 29 56.692 56.854 -0.162 1
1 310 . 18 1 1 A 29 29 PHE CB C 29 42.284 40.683 1.601 1
1 316 . 18 1 1 A 29 29 PHE N N 29 129.716 126.712 3.004 1
1 317 . 18 1 1 A 30 30 ALA H H 30 8.695 8.465 0.230 1
1 321 . 18 1 1 A 30 30 ALA C C 30 173.958 174.406 -0.448 1
1 322 . 18 1 1 A 30 30 ALA CA C 30 50.611 50.644 -0.033 1
1 323 . 18 1 1 A 30 30 ALA CB C 30 22.570 22.484 0.086 1
1 324 . 18 1 1 A 31 31 LEU H H 31 8.815 8.062 0.753 1
1 325 . 18 1 1 A 31 31 LEU HA H 31 5.003 4.867 0.136 1
1 335 . 18 1 1 A 31 31 LEU C C 31 174.414 174.377 0.037 1
1 336 . 18 1 1 A 31 31 LEU CA C 31 53.240 53.419 -0.179 1
1 337 . 18 1 1 A 31 31 LEU CB C 31 44.783 44.677 0.106 1
1 341 . 18 1 1 A 31 31 LEU N N 31 124.610 123.807 0.803 1
1 342 . 18 1 1 A 32 32 TRP H H 32 9.045 8.804 0.241 1
1 343 . 18 1 1 A 32 32 TRP HA H 32 5.499 5.480 0.019 1
1 352 . 18 1 1 A 32 32 TRP C C 32 178.871 177.314 1.557 1
1 353 . 18 1 1 A 32 32 TRP CA C 32 55.552 56.166 -0.614 1
1 354 . 18 1 1 A 32 32 TRP CB C 32 32.346 32.024 0.322 1
1 360 . 18 1 1 A 32 32 TRP N N 32 128.500 127.030 1.470 1
1 362 . 18 1 1 A 33 33 LEU H H 33 9.246 9.162 0.084 1
1 363 . 18 1 1 A 33 33 LEU HA H 33 4.075 4.148 -0.073 1
1 373 . 18 1 1 A 33 33 LEU C C 33 176.859 178.358 -1.499 1
1 374 . 18 1 1 A 33 33 LEU CA C 33 57.035 57.523 -0.488 1
1 375 . 18 1 1 A 33 33 LEU CB C 33 42.651 41.739 0.912 1
1 379 . 18 1 1 A 33 33 LEU N N 33 123.838 125.533 -1.695 1
1 380 . 18 1 1 A 34 34 ASP H H 34 7.536 8.163 -0.627 1
1 381 . 18 1 1 A 34 34 ASP HA H 34 4.395 4.607 -0.212 1
1 384 . 18 1 1 A 34 34 ASP C C 34 177.113 176.672 0.441 1
1 385 . 18 1 1 A 34 34 ASP CA C 34 53.805 54.195 -0.390 1
1 386 . 18 1 1 A 34 34 ASP CB C 34 39.625 41.070 -1.445 1
1 387 . 18 1 1 A 34 34 ASP N N 34 115.948 117.102 -1.154 1
1 388 . 18 1 1 A 35 35 GLY H H 35 8.264 9.135 -0.871 1
1 389 . 18 1 1 A 35 35 GLY HA2 H 35 4.205 4.043 0.162 1
1 390 . 18 1 1 A 35 35 GLY HA3 H 35 3.895 4.050 -0.155 1
1 391 . 18 1 1 A 35 35 GLY C C 35 173.898 173.945 -0.047 1
1 392 . 18 1 1 A 35 35 GLY CA C 35 46.216 46.631 -0.415 1
1 393 . 18 1 1 A 35 35 GLY N N 35 106.508 109.201 -2.693 1
1 394 . 18 1 1 A 36 36 THR H H 36 8.035 7.786 0.249 1
1 395 . 18 1 1 A 36 36 THR HA H 36 5.123 5.130 -0.007 1
1 400 . 18 1 1 A 36 36 THR C C 36 170.669 173.136 -2.467 1
1 401 . 18 1 1 A 36 36 THR CA C 36 60.588 59.298 1.290 1
1 402 . 18 1 1 A 36 36 THR CB C 36 72.314 72.880 -0.566 1
1 404 . 18 1 1 A 36 36 THR N N 36 112.047 109.937 2.110 1
1 405 . 18 1 1 A 37 37 LEU H H 37 9.344 9.455 -0.111 1
1 406 . 18 1 1 A 37 37 LEU HA H 37 5.616 5.102 0.514 1
1 416 . 18 1 1 A 37 37 LEU C C 37 175.787 175.026 0.761 1
1 417 . 18 1 1 A 37 37 LEU CA C 37 52.799 53.889 -1.090 1
1 418 . 18 1 1 A 37 37 LEU CB C 37 46.698 44.611 2.087 1
1 422 . 18 1 1 A 37 37 LEU N N 37 122.915 124.091 -1.176 1
1 423 . 18 1 1 A 38 38 GLY H H 38 9.685 8.818 0.867 1
1 424 . 18 1 1 A 38 38 GLY HA2 H 38 5.074 4.078 0.996 1
1 425 . 18 1 1 A 38 38 GLY HA3 H 38 3.825 4.292 -0.467 1
1 426 . 18 1 1 A 38 38 GLY C C 38 172.258 172.311 -0.053 1
1 427 . 18 1 1 A 38 38 GLY CA C 38 43.676 44.124 -0.448 1
1 428 . 18 1 1 A 38 38 GLY N N 38 113.092 114.139 -1.047 1
1 429 . 18 1 1 A 39 39 TYR H H 39 7.362 8.002 -0.640 1
1 430 . 18 1 1 A 39 39 TYR HA H 39 5.251 5.872 -0.621 1
1 437 . 18 1 1 A 39 39 TYR C C 39 175.367 173.963 1.404 1
1 438 . 18 1 1 A 39 39 TYR CA C 39 54.282 55.082 -0.800 1
1 439 . 18 1 1 A 39 39 TYR CB C 39 37.774 40.655 -2.881 1
1 444 . 18 1 1 A 39 39 TYR N N 39 113.951 118.878 -4.927 1
1 445 . 18 1 1 A 40 40 TYR H H 40 9.315 8.962 0.353 1
1 446 . 18 1 1 A 40 40 TYR HA H 40 5.305 4.910 0.395 1
1 453 . 18 1 1 A 40 40 TYR C C 40 177.694 176.808 0.886 1
1 454 . 18 1 1 A 40 40 TYR CA C 40 57.185 57.209 -0.024 1
1 455 . 18 1 1 A 40 40 TYR CB C 40 43.779 41.609 2.170 1
1 460 . 18 1 1 A 40 40 TYR N N 40 117.930 120.210 -2.280 1
1 461 . 18 1 1 A 41 41 HIS H H 41 8.658 9.059 -0.401 1
1 462 . 18 1 1 A 41 41 HIS HA H 41 4.654 4.406 0.248 1
1 467 . 18 1 1 A 41 41 HIS C C 41 174.858 174.582 0.276 1
1 468 . 18 1 1 A 41 41 HIS CA C 41 59.159 59.255 -0.096 1
1 469 . 18 1 1 A 41 41 HIS CB C 41 31.094 29.517 1.577 1
1 472 . 18 1 1 A 41 41 HIS N N 41 121.927 120.162 1.765 1
1 473 . 18 1 1 A 42 42 ASP H H 42 8.095 6.895 1.200 1
1 474 . 18 1 1 A 42 42 ASP HA H 42 4.795 4.566 0.229 1
1 477 . 18 1 1 A 42 42 ASP C C 42 175.052 176.034 -0.982 1
1 478 . 18 1 1 A 42 42 ASP CA C 42 53.155 52.399 0.756 1
1 479 . 18 1 1 A 42 42 ASP CB C 42 41.860 43.767 -1.907 1
1 480 . 18 1 1 A 42 42 ASP N N 42 112.020 117.351 -5.331 1
1 481 . 18 1 1 A 43 43 GLU H H 43 8.899 8.610 0.289 1
1 482 . 18 1 1 A 43 43 GLU C C 43 176.336 176.696 -0.360 1
1 483 . 18 1 1 A 43 43 GLU CA C 43 57.021 58.957 -1.936 1
1 484 . 18 1 1 A 43 43 GLU CB C 43 27.493 28.469 -0.976 1
1 485 . 18 1 1 A 43 43 GLU N N 43 116.402 121.250 -4.848 1
1 486 . 18 1 1 A 44 44 THR H H 44 8.093 7.456 0.637 1
1 487 . 18 1 1 A 44 44 THR HA H 44 3.915 4.227 -0.312 1
1 492 . 18 1 1 A 44 44 THR CA C 44 63.143 61.612 1.531 1
1 493 . 18 1 1 A 44 44 THR CB C 44 69.620 68.675 0.945 1
1 495 . 18 1 1 A 44 44 THR N N 44 111.376 111.678 -0.302 1
1 496 . 18 1 1 A 45 45 ALA H H 45 7.815 8.700 -0.885 1
1 497 . 18 1 1 A 45 45 ALA HA H 45 3.430 4.181 -0.751 1
1 501 . 18 1 1 A 45 45 ALA C C 45 175.091 177.895 -2.804 1
1 502 . 18 1 1 A 45 45 ALA CA C 45 53.434 51.629 1.805 1
1 503 . 18 1 1 A 45 45 ALA CB C 45 15.567 16.881 -1.314 1
1 504 . 18 1 1 A 46 46 GLN H H 46 7.869 7.841 0.028 1
1 505 . 18 1 1 A 46 46 GLN HA H 46 4.238 4.440 -0.202 1
1 512 . 18 1 1 A 46 46 GLN C C 46 176.190 175.664 0.526 1
1 513 . 18 1 1 A 46 46 GLN CA C 46 56.929 56.032 0.897 1
1 514 . 18 1 1 A 46 46 GLN CB C 46 30.454 29.109 1.345 1
1 516 . 18 1 1 A 46 46 GLN N N 46 115.953 117.501 -1.548 1
1 518 . 18 1 1 A 47 47 ASP H H 47 8.326 8.164 0.162 1
1 519 . 18 1 1 A 47 47 ASP HA H 47 4.954 4.958 -0.004 1
1 522 . 18 1 1 A 47 47 ASP C C 47 173.846 175.374 -1.528 1
1 523 . 18 1 1 A 47 47 ASP CA C 47 52.993 53.053 -0.060 1
1 524 . 18 1 1 A 47 47 ASP CB C 47 41.558 41.735 -0.177 1
1 525 . 18 1 1 A 47 47 ASP N N 47 119.830 120.188 -0.358 1
1 526 . 18 1 1 A 48 48 GLU H H 48 8.756 8.625 0.131 1
1 527 . 18 1 1 A 48 48 GLU HA H 48 3.785 3.872 -0.087 1
1 532 . 18 1 1 A 48 48 GLU C C 48 175.892 176.759 -0.867 1
1 533 . 18 1 1 A 48 48 GLU CA C 48 56.470 56.944 -0.474 1
1 534 . 18 1 1 A 48 48 GLU CB C 48 32.264 30.538 1.726 1
1 536 . 18 1 1 A 48 48 GLU N N 48 125.923 124.020 1.903 1
1 537 . 18 1 1 A 49 49 GLU H H 49 8.945 8.546 0.399 1
1 538 . 18 1 1 A 49 49 GLU HA H 49 4.164 4.291 -0.127 1
1 543 . 18 1 1 A 49 49 GLU C C 49 176.040 175.907 0.133 1
1 544 . 18 1 1 A 49 49 GLU CA C 49 58.447 58.252 0.195 1
1 545 . 18 1 1 A 49 49 GLU CB C 49 30.207 30.794 -0.587 1
1 547 . 18 1 1 A 49 49 GLU N N 49 129.751 125.809 3.942 1
1 548 . 18 1 1 A 50 50 ASP H H 50 6.736 7.195 -0.459 1
1 549 . 18 1 1 A 50 50 ASP HA H 50 4.355 4.875 -0.520 1
1 552 . 18 1 1 A 50 50 ASP C C 50 172.562 173.395 -0.833 1
1 553 . 18 1 1 A 50 50 ASP CA C 50 52.729 53.259 -0.530 1
1 554 . 18 1 1 A 50 50 ASP CB C 50 43.737 44.273 -0.536 1
1 555 . 18 1 1 A 50 50 ASP N N 50 113.574 116.267 -2.693 1
1 556 . 18 1 1 A 51 51 ARG H H 51 8.532 8.609 -0.077 1
1 557 . 18 1 1 A 51 51 ARG HA H 51 5.005 4.786 0.219 1
1 565 . 18 1 1 A 51 51 ARG C C 51 174.656 174.550 0.106 1
1 566 . 18 1 1 A 51 51 ARG CA C 51 55.605 55.567 0.038 1
1 567 . 18 1 1 A 51 51 ARG CB C 51 33.520 34.071 -0.551 1
1 570 . 18 1 1 A 51 51 ARG N N 51 117.888 121.953 -4.065 1
1 572 . 18 1 1 A 52 52 VAL H H 52 9.155 9.126 0.029 1
1 573 . 18 1 1 A 52 52 VAL HA H 52 4.616 4.921 -0.305 1
1 581 . 18 1 1 A 52 52 VAL C C 52 174.710 175.107 -0.397 1
1 582 . 18 1 1 A 52 52 VAL CA C 52 59.382 59.668 -0.286 1
1 583 . 18 1 1 A 52 52 VAL CB C 52 35.266 35.278 -0.012 1
1 586 . 18 1 1 A 52 52 VAL N N 52 121.629 121.079 0.550 1
1 587 . 18 1 1 A 53 53 VAL H H 53 8.956 9.064 -0.108 1
1 588 . 18 1 1 A 53 53 VAL HA H 53 3.745 4.165 -0.420 1
1 596 . 18 1 1 A 53 53 VAL C C 53 174.610 175.765 -1.155 1
1 597 . 18 1 1 A 53 53 VAL CA C 53 64.676 63.539 1.137 1
1 598 . 18 1 1 A 53 53 VAL CB C 53 32.305 32.366 -0.061 1
1 601 . 18 1 1 A 53 53 VAL N N 53 125.547 125.727 -0.180 1
1 602 . 18 1 1 A 54 54 ILE H H 54 8.705 9.018 -0.313 1
1 603 . 18 1 1 A 54 54 ILE HA H 54 4.324 4.369 -0.045 1
1 613 . 18 1 1 A 54 54 ILE C C 54 176.747 176.202 0.545 1
1 614 . 18 1 1 A 54 54 ILE CA C 54 58.623 62.849 -4.226 1
1 615 . 18 1 1 A 54 54 ILE CB C 54 36.787 39.684 -2.897 1
1 619 . 18 1 1 A 54 54 ILE N N 54 126.147 125.908 0.239 1
1 620 . 18 1 1 A 55 55 HIS H H 55 7.913 7.691 0.222 1
1 621 . 18 1 1 A 55 55 HIS HA H 55 4.626 4.339 0.287 1
1 626 . 18 1 1 A 55 55 HIS C C 55 174.365 175.729 -1.364 1
1 627 . 18 1 1 A 55 55 HIS CA C 55 57.917 57.002 0.915 1
1 628 . 18 1 1 A 55 55 HIS CB C 55 29.796 29.646 0.150 1
1 631 . 18 1 1 A 55 55 HIS N N 55 119.790 123.573 -3.783 1
1 632 . 18 1 1 A 56 56 PHE H H 56 9.382 8.886 0.496 1
1 633 . 18 1 1 A 56 56 PHE HA H 56 4.225 4.170 0.055 1
1 641 . 18 1 1 A 56 56 PHE C C 56 175.781 175.095 0.686 1
1 642 . 18 1 1 A 56 56 PHE CA C 56 57.593 58.414 -0.821 1
1 643 . 18 1 1 A 56 56 PHE CB C 56 36.664 36.102 0.562 1
1 649 . 18 1 1 A 56 56 PHE N N 56 124.614 122.911 1.703 1
1 650 . 18 1 1 A 57 57 ASN H H 57 8.755 7.705 1.050 1
1 651 . 18 1 1 A 57 57 ASN HA H 57 5.319 5.075 0.244 1
1 656 . 18 1 1 A 57 57 ASN C C 57 175.317 175.348 -0.031 1
1 657 . 18 1 1 A 57 57 ASN CA C 57 52.129 53.757 -1.628 1
1 658 . 18 1 1 A 57 57 ASN CB C 57 41.640 41.314 0.326 1
1 659 . 18 1 1 A 57 57 ASN N N 57 114.893 116.215 -1.322 1
1 661 . 18 1 1 A 58 58 VAL H H 58 8.606 7.518 1.088 1
1 662 . 18 1 1 A 58 58 VAL HA H 58 4.138 4.587 -0.449 1
1 670 . 18 1 1 A 58 58 VAL C C 58 175.486 176.072 -0.586 1
1 671 . 18 1 1 A 58 58 VAL CA C 58 63.035 62.764 0.271 1
1 672 . 18 1 1 A 58 58 VAL CB C 58 32.733 30.887 1.846 1
1 675 . 18 1 1 A 58 58 VAL N N 58 121.476 119.054 2.422 1
1 676 . 18 1 1 A 59 59 ARG H H 59 9.233 8.795 0.438 1
1 677 . 18 1 1 A 59 59 ARG HA H 59 4.184 4.121 0.063 1
1 684 . 18 1 1 A 59 59 ARG C C 59 175.572 175.270 0.302 1
1 685 . 18 1 1 A 59 59 ARG CA C 59 58.093 57.693 0.400 1
1 686 . 18 1 1 A 59 59 ARG CB C 59 31.236 31.119 0.117 1
1 689 . 18 1 1 A 59 59 ARG N N 59 128.965 129.918 -0.953 1
1 690 . 18 1 1 A 60 60 ASP H H 60 7.745 7.796 -0.051 1
1 691 . 18 1 1 A 60 60 ASP HA H 60 4.485 4.950 -0.465 1
1 694 . 18 1 1 A 60 60 ASP C C 60 173.047 173.824 -0.777 1
1 695 . 18 1 1 A 60 60 ASP CA C 60 53.911 53.333 0.578 1
1 696 . 18 1 1 A 60 60 ASP CB C 60 42.874 43.878 -1.004 1
1 697 . 18 1 1 A 60 60 ASP N N 60 113.170 117.562 -4.392 1
1 698 . 18 1 1 A 61 61 ILE H H 61 8.398 8.465 -0.067 1
1 699 . 18 1 1 A 61 61 ILE HA H 61 5.055 4.958 0.097 1
1 709 . 18 1 1 A 61 61 ILE C C 61 174.897 174.305 0.592 1
1 710 . 18 1 1 A 61 61 ILE CA C 61 60.511 60.353 0.158 1
1 711 . 18 1 1 A 61 61 ILE CB C 61 41.558 41.001 0.557 1
1 715 . 18 1 1 A 61 61 ILE N N 61 118.375 121.888 -3.513 1
1 716 . 18 1 1 A 62 62 LYS H H 62 8.619 9.063 -0.444 1
1 717 . 18 1 1 A 62 62 LYS HA H 62 4.711 5.099 -0.388 1
1 726 . 18 1 1 A 62 62 LYS C C 62 174.636 175.524 -0.888 1
1 727 . 18 1 1 A 62 62 LYS CA C 62 53.947 54.832 -0.885 1
1 728 . 18 1 1 A 62 62 LYS CB C 62 35.677 35.480 0.197 1
1 732 . 18 1 1 A 62 62 LYS N N 62 128.701 126.558 2.143 1
1 733 . 18 1 1 A 63 63 VAL H H 63 8.946 8.441 0.505 1
1 734 . 18 1 1 A 63 63 VAL HA H 63 5.073 4.723 0.350 1
1 742 . 18 1 1 A 63 63 VAL C C 63 177.772 176.234 1.538 1
1 743 . 18 1 1 A 63 63 VAL CA C 63 59.734 60.806 -1.072 1
1 744 . 18 1 1 A 63 63 VAL CB C 63 36.210 35.216 0.994 1
1 747 . 18 1 1 A 63 63 VAL N N 63 120.053 122.222 -2.169 1
1 748 . 18 1 1 A 64 64 GLY H H 64 9.804 8.989 0.815 1
1 749 . 18 1 1 A 64 64 GLY HA2 H 64 4.415 3.966 0.449 1
1 750 . 18 1 1 A 64 64 GLY HA3 H 64 3.906 3.968 -0.062 1
1 751 . 18 1 1 A 64 64 GLY C C 64 176.864 175.816 1.048 1
1 752 . 18 1 1 A 64 64 GLY CA C 64 47.063 46.982 0.081 1
1 753 . 18 1 1 A 64 64 GLY N N 64 118.354 113.293 5.061 1
1 754 . 18 1 1 A 65 65 GLN H H 65 9.045 8.825 0.220 1
1 755 . 18 1 1 A 65 65 GLN HA H 65 3.944 3.980 -0.036 1
1 762 . 18 1 1 A 65 65 GLN C C 65 176.698 178.519 -1.821 1
1 763 . 18 1 1 A 65 65 GLN CA C 65 57.793 58.922 -1.129 1
1 764 . 18 1 1 A 65 65 GLN CB C 65 27.822 28.331 -0.509 1
1 766 . 18 1 1 A 65 65 GLN N N 65 124.600 125.294 -0.694 1
1 768 . 18 1 1 A 66 66 GLU H H 66 7.886 7.740 0.146 1
1 769 . 18 1 1 A 66 66 GLU HA H 66 4.145 4.061 0.084 1
1 774 . 18 1 1 A 66 66 GLU C C 66 178.049 176.805 1.244 1
1 775 . 18 1 1 A 66 66 GLU CA C 66 57.564 59.522 -1.958 1
1 776 . 18 1 1 A 66 66 GLU CB C 66 31.236 29.311 1.925 1
1 778 . 18 1 1 A 66 66 GLU N N 66 116.486 119.507 -3.021 1
1 779 . 18 1 1 A 67 67 CYS H H 67 8.015 7.865 0.150 1
1 780 . 18 1 1 A 67 67 CYS HA H 67 4.331 4.371 -0.040 1
1 783 . 18 1 1 A 67 67 CYS C C 67 175.278 174.666 0.612 1
1 784 . 18 1 1 A 67 67 CYS CA C 67 58.817 59.909 -1.092 1
1 785 . 18 1 1 A 67 67 CYS CB C 67 26.342 28.323 -1.981 1
1 786 . 18 1 1 A 67 67 CYS N N 67 119.526 117.778 1.748 1
1 787 . 18 1 1 A 68 68 GLN H H 68 7.983 8.605 -0.622 1
1 788 . 18 1 1 A 68 68 GLN HA H 68 4.199 4.366 -0.167 1
1 795 . 18 1 1 A 68 68 GLN C C 68 175.866 175.041 0.825 1
1 796 . 18 1 1 A 68 68 GLN CA C 68 56.399 54.783 1.616 1
1 797 . 18 1 1 A 68 68 GLN CB C 68 29.837 27.005 2.832 1
1 799 . 18 1 1 A 68 68 GLN N N 68 120.826 123.456 -2.630 1
1 801 . 18 1 1 A 69 69 ASP H H 69 8.755 8.356 0.399 1
1 802 . 18 1 1 A 69 69 ASP HA H 69 4.395 4.127 0.268 1
1 805 . 18 1 1 A 69 69 ASP C C 69 174.652 174.952 -0.300 1
1 806 . 18 1 1 A 69 69 ASP CA C 69 54.546 55.384 -0.838 1
1 807 . 18 1 1 A 69 69 ASP CB C 69 39.954 39.399 0.555 1
1 808 . 18 1 1 A 69 69 ASP N N 69 117.691 115.659 2.032 1
1 809 . 18 1 1 A 70 70 VAL H H 70 7.245 7.740 -0.495 1
1 810 . 18 1 1 A 70 70 VAL HA H 70 4.173 4.307 -0.134 1
1 818 . 18 1 1 A 70 70 VAL C C 70 173.502 175.135 -1.633 1
1 819 . 18 1 1 A 70 70 VAL CA C 70 60.502 61.171 -0.669 1
1 820 . 18 1 1 A 70 70 VAL CB C 70 34.397 33.298 1.099 1
1 823 . 18 1 1 A 70 70 VAL N N 70 116.632 114.879 1.753 1
1 824 . 18 1 1 A 71 71 GLN H H 71 8.513 8.724 -0.211 1
1 825 . 18 1 1 A 71 71 GLN HA H 71 4.758 4.966 -0.208 1
1 832 . 18 1 1 A 71 71 GLN C C 71 173.404 174.208 -0.804 1
1 833 . 18 1 1 A 71 71 GLN CA C 71 52.093 52.395 -0.302 1
1 834 . 18 1 1 A 71 71 GLN CB C 71 29.467 30.137 -0.670 1
1 836 . 18 1 1 A 71 71 GLN N N 71 125.361 122.541 2.820 1
1 838 . 18 1 1 A 72 72 PRO HA H 72 3.955 4.377 -0.422 1
1 845 . 18 1 1 A 72 72 PRO CA C 72 61.219 61.562 -0.343 1
1 846 . 18 1 1 A 72 72 PRO CB C 72 30.548 31.642 -1.094 1
1 849 . 18 1 1 A 73 73 PRO HA H 73 3.584 4.298 -0.714 1
1 856 . 18 1 1 A 73 73 PRO C C 73 175.005 176.173 -1.168 1
1 857 . 18 1 1 A 73 73 PRO CA C 73 61.764 61.888 -0.124 1
1 858 . 18 1 1 A 73 73 PRO CB C 73 30.080 31.578 -1.498 1
1 861 . 18 1 1 A 74 74 GLU H H 74 8.066 8.503 -0.437 1
1 862 . 18 1 1 A 74 74 GLU HA H 74 3.766 3.838 -0.072 1
1 867 . 18 1 1 A 74 74 GLU C C 74 177.415 177.112 0.303 1
1 868 . 18 1 1 A 74 74 GLU CA C 74 58.005 58.061 -0.056 1
1 869 . 18 1 1 A 74 74 GLU CB C 74 29.340 29.326 0.014 1
1 871 . 18 1 1 A 74 74 GLU N N 74 120.425 122.082 -1.657 1
1 872 . 18 1 1 A 75 75 GLY H H 75 8.576 8.866 -0.290 1
1 873 . 18 1 1 A 75 75 GLY HA2 H 75 4.024 3.914 0.110 1
1 874 . 18 1 1 A 75 75 GLY HA3 H 75 3.568 3.935 -0.367 1
1 875 . 18 1 1 A 75 75 GLY C C 75 174.093 174.576 -0.483 1
1 876 . 18 1 1 A 75 75 GLY CA C 75 45.299 45.254 0.045 1
1 877 . 18 1 1 A 75 75 GLY N N 75 112.779 115.172 -2.393 1
1 878 . 18 1 1 A 76 76 ARG H H 76 7.791 7.527 0.264 1
1 879 . 18 1 1 A 76 76 ARG HA H 76 4.444 4.306 0.138 1
1 887 . 18 1 1 A 76 76 ARG C C 76 175.188 175.002 0.186 1
1 888 . 18 1 1 A 76 76 ARG CA C 76 54.617 56.124 -1.507 1
1 889 . 18 1 1 A 76 76 ARG CB C 76 31.030 31.808 -0.778 1
1 892 . 18 1 1 A 76 76 ARG N N 76 121.088 121.382 -0.294 1
1 894 . 18 1 1 A 77 77 SER H H 77 8.235 8.582 -0.347 1
1 895 . 18 1 1 A 77 77 SER HA H 77 4.405 4.634 -0.229 1
1 898 . 18 1 1 A 77 77 SER C C 77 176.069 174.614 1.455 1
1 899 . 18 1 1 A 77 77 SER CA C 77 56.805 57.101 -0.296 1
1 900 . 18 1 1 A 77 77 SER CB C 77 64.136 66.286 -2.150 1
1 901 . 18 1 1 A 77 77 SER N N 77 113.991 116.265 -2.274 1
1 902 . 18 1 1 A 78 78 ARG H H 78 8.745 8.894 -0.149 1
1 903 . 18 1 1 A 78 78 ARG HA H 78 3.774 3.922 -0.148 1
1 909 . 18 1 1 A 78 78 ARG C C 78 176.758 177.933 -1.175 1
1 910 . 18 1 1 A 78 78 ARG CA C 78 58.341 60.031 -1.690 1
1 911 . 18 1 1 A 78 78 ARG CB C 78 30.043 30.212 -0.169 1
1 914 . 18 1 1 A 78 78 ARG N N 78 122.262 124.038 -1.776 1
1 915 . 18 1 1 A 79 79 ASP H H 79 8.106 8.326 -0.220 1
1 916 . 18 1 1 A 79 79 ASP HA H 79 4.175 4.387 -0.212 1
1 919 . 18 1 1 A 79 79 ASP C C 79 175.579 179.133 -3.554 1
1 920 . 18 1 1 A 79 79 ASP CA C 79 57.159 56.724 0.435 1
1 921 . 18 1 1 A 79 79 ASP CB C 79 40.900 40.219 0.681 1
1 922 . 18 1 1 A 79 79 ASP N N 79 115.963 118.898 -2.935 1
1 923 . 18 1 1 A 80 80 GLY H H 80 7.305 7.744 -0.439 1
1 924 . 18 1 1 A 80 80 GLY HA2 H 80 4.047 3.934 0.113 1
1 925 . 18 1 1 A 80 80 GLY HA3 H 80 3.387 3.960 -0.573 1
1 926 . 18 1 1 A 80 80 GLY C C 80 174.263 174.550 -0.287 1
1 927 . 18 1 1 A 80 80 GLY CA C 80 44.276 46.032 -1.756 1
1 928 . 18 1 1 A 80 80 GLY N N 80 101.592 107.524 -5.932 1
1 929 . 18 1 1 A 81 81 LEU H H 81 7.307 7.281 0.026 1
1 930 . 18 1 1 A 81 81 LEU HA H 81 4.494 4.147 0.347 1
1 940 . 18 1 1 A 81 81 LEU C C 81 176.212 176.489 -0.277 1
1 941 . 18 1 1 A 81 81 LEU CA C 81 56.346 55.863 0.483 1
1 942 . 18 1 1 A 81 81 LEU CB C 81 44.025 42.242 1.783 1
1 946 . 18 1 1 A 81 81 LEU N N 81 121.062 121.543 -0.481 1
1 947 . 18 1 1 A 82 82 LEU H H 82 8.286 8.510 -0.224 1
1 948 . 18 1 1 A 82 82 LEU HA H 82 5.260 5.079 0.181 1
1 958 . 18 1 1 A 82 82 LEU C C 82 175.122 174.657 0.465 1
1 959 . 18 1 1 A 82 82 LEU CA C 82 55.334 54.564 0.770 1
1 960 . 18 1 1 A 82 82 LEU CB C 82 46.064 45.073 0.991 1
1 964 . 18 1 1 A 82 82 LEU N N 82 118.524 124.667 -6.143 1
1 965 . 18 1 1 A 83 83 THR H H 83 9.095 8.987 0.108 1
1 966 . 18 1 1 A 83 83 THR HA H 83 5.305 5.115 0.190 1
1 971 . 18 1 1 A 83 83 THR C C 83 173.754 173.858 -0.104 1
1 972 . 18 1 1 A 83 83 THR CA C 83 61.076 61.562 -0.486 1
1 973 . 18 1 1 A 83 83 THR CB C 83 71.268 70.460 0.808 1
1 975 . 18 1 1 A 83 83 THR N N 83 120.894 123.664 -2.770 1
1 976 . 18 1 1 A 84 84 VAL H H 84 9.175 8.765 0.410 1
1 977 . 18 1 1 A 84 84 VAL HA H 84 4.205 4.409 -0.204 1
1 985 . 18 1 1 A 84 84 VAL C C 84 173.741 174.535 -0.794 1
1 986 . 18 1 1 A 84 84 VAL CA C 84 61.182 60.953 0.229 1
1 987 . 18 1 1 A 84 84 VAL CB C 84 32.921 33.766 -0.845 1
1 990 . 18 1 1 A 84 84 VAL N N 84 127.342 127.608 -0.266 1
1 991 . 18 1 1 A 85 85 ASN H H 85 8.597 9.058 -0.461 1
1 992 . 18 1 1 A 85 85 ASN HA H 85 4.960 5.304 -0.344 1
1 997 . 18 1 1 A 85 85 ASN C C 85 174.440 174.188 0.252 1
1 998 . 18 1 1 A 85 85 ASN CA C 85 52.870 52.196 0.674 1
1 999 . 18 1 1 A 85 85 ASN CB C 85 39.214 40.302 -1.088 1
1 1000 . 18 1 1 A 85 85 ASN N N 85 125.999 125.496 0.503 1
1 1002 . 18 1 1 A 86 86 LEU H H 86 8.283 8.761 -0.478 1
1 1003 . 18 1 1 A 86 86 LEU HA H 86 5.176 5.223 -0.047 1
1 1013 . 18 1 1 A 86 86 LEU C C 86 178.644 177.458 1.186 1
1 1014 . 18 1 1 A 86 86 LEU CA C 86 53.700 53.265 0.435 1
1 1015 . 18 1 1 A 86 86 LEU CB C 86 42.298 44.421 -2.123 1
1 1019 . 18 1 1 A 86 86 LEU N N 86 125.763 124.477 1.286 1
1 1020 . 18 1 1 A 87 87 ARG H H 87 8.655 9.212 -0.557 1
1 1021 . 18 1 1 A 87 87 ARG HA H 87 3.905 3.935 -0.030 1
1 1028 . 18 1 1 A 87 87 ARG C C 87 177.223 178.094 -0.871 1
1 1029 . 18 1 1 A 87 87 ARG CA C 87 59.717 59.918 -0.201 1
1 1030 . 18 1 1 A 87 87 ARG CB C 87 29.280 30.288 -1.008 1
1 1033 . 18 1 1 A 87 87 ARG N N 87 123.105 122.738 0.367 1
1 1034 . 18 1 1 A 88 88 GLU H H 88 8.525 7.964 0.561 1
1 1035 . 18 1 1 A 88 88 GLU HA H 88 4.515 4.231 0.284 1
1 1040 . 18 1 1 A 88 88 GLU C C 88 175.762 177.103 -1.341 1
1 1041 . 18 1 1 A 88 88 GLU CA C 88 55.852 56.134 -0.282 1
1 1042 . 18 1 1 A 88 88 GLU CB C 88 30.249 30.151 0.098 1
1 1044 . 18 1 1 A 88 88 GLU N N 88 117.722 115.730 1.992 1
1 1045 . 18 1 1 A 89 89 GLY H H 89 8.063 8.856 -0.793 1
1 1046 . 18 1 1 A 89 89 GLY HA2 H 89 3.735 3.958 -0.223 1
1 1047 . 18 1 1 A 89 89 GLY HA3 H 89 4.536 3.960 0.576 1
1 1048 . 18 1 1 A 89 89 GLY C C 89 173.864 173.502 0.362 1
1 1049 . 18 1 1 A 89 89 GLY CA C 89 44.222 46.532 -2.310 1
1 1050 . 18 1 1 A 89 89 GLY N N 89 110.616 110.635 -0.019 1
1 1051 . 18 1 1 A 90 90 SER H H 90 8.094 7.788 0.306 1
1 1052 . 18 1 1 A 90 90 SER HA H 90 4.484 4.793 -0.309 1
1 1055 . 18 1 1 A 90 90 SER C C 90 172.813 172.803 0.010 1
1 1056 . 18 1 1 A 90 90 SER CA C 90 58.552 57.633 0.919 1
1 1057 . 18 1 1 A 90 90 SER CB C 90 63.915 65.935 -2.020 1
1 1058 . 18 1 1 A 90 90 SER N N 90 116.620 114.086 2.534 1
1 1059 . 18 1 1 A 91 91 ARG H H 91 8.285 8.411 -0.126 1
1 1060 . 18 1 1 A 91 91 ARG HA H 91 4.725 4.713 0.012 1
1 1067 . 18 1 1 A 91 91 ARG C C 91 175.511 175.559 -0.048 1
1 1068 . 18 1 1 A 91 91 ARG CA C 91 55.870 55.811 0.059 1
1 1069 . 18 1 1 A 91 91 ARG CB C 91 32.058 30.954 1.104 1
1 1072 . 18 1 1 A 91 91 ARG N N 91 121.045 125.194 -4.149 1
1 1073 . 18 1 1 A 92 92 LEU H H 92 8.485 9.236 -0.751 1
1 1074 . 18 1 1 A 92 92 LEU HA H 92 4.555 4.789 -0.234 1
1 1084 . 18 1 1 A 92 92 LEU C C 92 174.815 175.374 -0.559 1
1 1085 . 18 1 1 A 92 92 LEU CA C 92 53.629 53.055 0.574 1
1 1086 . 18 1 1 A 92 92 LEU CB C 92 44.066 43.132 0.934 1
1 1090 . 18 1 1 A 92 92 LEU N N 92 123.633 123.509 0.124 1
1 1091 . 18 1 1 A 93 93 HIS H H 93 8.871 9.075 -0.204 1
1 1092 . 18 1 1 A 93 93 HIS HA H 93 5.135 4.989 0.146 1
1 1097 . 18 1 1 A 93 93 HIS C C 93 173.251 175.198 -1.947 1
1 1098 . 18 1 1 A 93 93 HIS CA C 93 56.135 55.862 0.273 1
1 1099 . 18 1 1 A 93 93 HIS CB C 93 30.701 30.035 0.666 1
1 1101 . 18 1 1 A 93 93 HIS N N 93 124.492 123.481 1.011 1
1 1102 . 18 1 1 A 94 94 LEU H H 94 9.105 8.803 0.302 1
1 1103 . 18 1 1 A 94 94 LEU HA H 94 5.940 5.583 0.357 1
1 1113 . 18 1 1 A 94 94 LEU C C 94 177.396 175.614 1.782 1
1 1114 . 18 1 1 A 94 94 LEU CA C 94 52.552 53.518 -0.966 1
1 1115 . 18 1 1 A 94 94 LEU CB C 94 45.465 46.681 -1.216 1
1 1119 . 18 1 1 A 94 94 LEU N N 94 122.911 125.131 -2.220 1
1 1120 . 18 1 1 A 95 95 CYS H H 95 8.953 8.614 0.339 1
1 1121 . 18 1 1 A 95 95 CYS HA H 95 4.863 4.966 -0.103 1
1 1124 . 18 1 1 A 95 95 CYS C C 95 172.585 173.510 -0.925 1
1 1125 . 18 1 1 A 95 95 CYS CA C 95 59.964 58.179 1.785 1
1 1126 . 18 1 1 A 95 95 CYS CB C 95 29.220 31.206 -1.986 1
1 1127 . 18 1 1 A 95 95 CYS N N 95 118.920 118.749 0.171 1
1 1128 . 18 1 1 A 96 96 ALA H H 96 9.465 8.820 0.645 1
1 1129 . 18 1 1 A 96 96 ALA HA H 96 5.035 4.729 0.306 1
1 1133 . 18 1 1 A 96 96 ALA C C 96 177.396 179.041 -1.645 1
1 1134 . 18 1 1 A 96 96 ALA CA C 96 50.205 51.331 -1.126 1
1 1135 . 18 1 1 A 96 96 ALA CB C 96 21.571 20.989 0.582 1
1 1136 . 18 1 1 A 96 96 ALA N N 96 132.924 128.694 4.230 1
1 1137 . 18 1 1 A 97 97 GLU H H 97 9.636 9.007 0.629 1
1 1138 . 18 1 1 A 97 97 GLU HA H 97 4.344 4.238 0.106 1
1 1143 . 18 1 1 A 97 97 GLU C C 97 176.882 176.597 0.285 1
1 1144 . 18 1 1 A 97 97 GLU CA C 97 58.040 58.483 -0.443 1
1 1145 . 18 1 1 A 97 97 GLU CB C 97 30.207 29.443 0.764 1
1 1147 . 18 1 1 A 97 97 GLU N N 97 116.636 119.002 -2.366 1
1 1148 . 18 1 1 A 98 98 THR H H 98 7.155 7.675 -0.520 1
1 1149 . 18 1 1 A 98 98 THR HA H 98 4.684 4.654 0.030 1
1 1154 . 18 1 1 A 98 98 THR C C 98 174.259 174.635 -0.376 1
1 1155 . 18 1 1 A 98 98 THR CA C 98 58.323 59.431 -1.108 1
1 1156 . 18 1 1 A 98 98 THR CB C 98 73.529 72.620 0.909 1
1 1158 . 18 1 1 A 98 98 THR N N 98 102.167 109.976 -7.809 1
1 1159 . 18 1 1 A 99 99 ARG H H 99 9.025 8.890 0.135 1
1 1160 . 18 1 1 A 99 99 ARG HA H 99 4.056 4.078 -0.022 1
1 1167 . 18 1 1 A 99 99 ARG C C 99 177.995 177.714 0.281 1
1 1168 . 18 1 1 A 99 99 ARG CA C 99 59.029 58.789 0.240 1
1 1169 . 18 1 1 A 99 99 ARG CB C 99 30.208 29.730 0.478 1
1 1172 . 18 1 1 A 99 99 ARG N N 99 122.747 121.352 1.395 1
1 1173 . 18 1 1 A 100 100 ASP H H 100 8.387 8.122 0.265 1
1 1174 . 18 1 1 A 100 100 ASP HA H 100 4.306 4.368 -0.062 1
1 1177 . 18 1 1 A 100 100 ASP C C 100 179.110 178.382 0.728 1
1 1178 . 18 1 1 A 100 100 ASP CA C 100 57.475 57.004 0.471 1
1 1179 . 18 1 1 A 100 100 ASP CB C 100 40.201 40.630 -0.429 1
1 1180 . 18 1 1 A 100 100 ASP N N 100 116.422 119.649 -3.227 1
1 1181 . 18 1 1 A 101 101 ASP H H 101 8.046 7.846 0.200 1
1 1182 . 18 1 1 A 101 101 ASP HA H 101 4.576 4.280 0.296 1
1 1185 . 18 1 1 A 101 101 ASP C C 101 177.751 178.777 -1.026 1
1 1186 . 18 1 1 A 101 101 ASP CA C 101 57.229 57.405 -0.176 1
1 1187 . 18 1 1 A 101 101 ASP CB C 101 42.093 40.154 1.939 1
1 1188 . 18 1 1 A 101 101 ASP N N 101 120.742 120.437 0.305 1
1 1189 . 18 1 1 A 102 102 ALA H H 102 7.674 7.617 0.057 1
1 1190 . 18 1 1 A 102 102 ALA HA H 102 4.084 4.187 -0.103 1
1 1194 . 18 1 1 A 102 102 ALA C C 102 179.609 179.788 -0.179 1
1 1195 . 18 1 1 A 102 102 ALA CA C 102 56.364 55.203 1.161 1
1 1196 . 18 1 1 A 102 102 ALA CB C 102 17.952 18.605 -0.653 1
1 1197 . 18 1 1 A 102 102 ALA N N 102 122.523 122.309 0.214 1
1 1198 . 18 1 1 A 103 103 ILE H H 103 8.499 7.876 0.623 1
1 1199 . 18 1 1 A 103 103 ILE HA H 103 3.681 3.705 -0.024 1
1 1209 . 18 1 1 A 103 103 ILE C C 103 178.622 177.994 0.628 1
1 1210 . 18 1 1 A 103 103 ILE CA C 103 64.182 65.391 -1.209 1
1 1211 . 18 1 1 A 103 103 ILE CB C 103 37.240 37.463 -0.223 1
1 1215 . 18 1 1 A 103 103 ILE N N 103 117.417 118.064 -0.647 1
1 1216 . 18 1 1 A 104 104 ALA H H 104 8.174 8.381 -0.207 1
1 1217 . 18 1 1 A 104 104 ALA HA H 104 4.095 3.966 0.129 1
1 1221 . 18 1 1 A 104 104 ALA C C 104 181.998 180.059 1.939 1
1 1222 . 18 1 1 A 104 104 ALA CA C 104 55.517 55.196 0.321 1
1 1223 . 18 1 1 A 104 104 ALA CB C 104 17.294 18.467 -1.173 1
1 1224 . 18 1 1 A 104 104 ALA N N 104 124.916 122.479 2.437 1
1 1225 . 18 1 1 A 105 105 TRP H H 105 8.365 7.938 0.427 1
1 1226 . 18 1 1 A 105 105 TRP HA H 105 4.025 4.457 -0.432 1
1 1235 . 18 1 1 A 105 105 TRP C C 105 177.969 178.682 -0.713 1
1 1236 . 18 1 1 A 105 105 TRP CA C 105 62.011 60.043 1.968 1
1 1237 . 18 1 1 A 105 105 TRP CB C 105 29.179 29.183 -0.004 1
1 1243 . 18 1 1 A 105 105 TRP N N 105 119.726 118.221 1.505 1
1 1245 . 18 1 1 A 106 106 LYS H H 106 8.746 8.123 0.623 1
1 1246 . 18 1 1 A 106 106 LYS HA H 106 3.805 4.135 -0.330 1
1 1255 . 18 1 1 A 106 106 LYS C C 106 177.626 178.965 -1.339 1
1 1256 . 18 1 1 A 106 106 LYS CA C 106 60.865 59.326 1.539 1
1 1257 . 18 1 1 A 106 106 LYS CB C 106 31.606 32.008 -0.402 1
1 1261 . 18 1 1 A 106 106 LYS N N 106 120.565 120.856 -0.291 1
1 1262 . 18 1 1 A 107 107 THR H H 107 8.714 8.032 0.682 1
1 1263 . 18 1 1 A 107 107 THR HA H 107 3.774 3.890 -0.116 1
1 1268 . 18 1 1 A 107 107 THR C C 107 176.238 176.054 0.184 1
1 1269 . 18 1 1 A 107 107 THR CA C 107 66.688 66.743 -0.055 1
1 1270 . 18 1 1 A 107 107 THR CB C 107 69.065 68.692 0.373 1
1 1272 . 18 1 1 A 107 107 THR N N 107 115.018 118.743 -3.725 1
1 1273 . 18 1 1 A 108 108 ALA H H 108 7.769 8.129 -0.360 1
1 1274 . 18 1 1 A 108 108 ALA HA H 108 4.094 4.026 0.068 1
1 1278 . 18 1 1 A 108 108 ALA C C 108 180.611 179.750 0.861 1
1 1279 . 18 1 1 A 108 108 ALA CA C 108 55.005 54.962 0.043 1
1 1280 . 18 1 1 A 108 108 ALA CB C 108 18.015 18.235 -0.220 1
1 1281 . 18 1 1 A 108 108 ALA N N 108 123.150 123.585 -0.435 1
1 1282 . 18 1 1 A 109 109 LEU H H 109 8.795 8.073 0.722 1
1 1283 . 18 1 1 A 109 109 LEU HA H 109 4.045 4.193 -0.148 1
1 1293 . 18 1 1 A 109 109 LEU C C 109 178.758 179.185 -0.427 1
1 1294 . 18 1 1 A 109 109 LEU CA C 109 58.093 57.546 0.547 1
1 1295 . 18 1 1 A 109 109 LEU CB C 109 42.298 41.985 0.313 1
1 1299 . 18 1 1 A 109 109 LEU N N 109 118.714 120.280 -1.566 1
1 1300 . 18 1 1 A 110 110 MET H H 110 8.582 8.455 0.127 1
1 1301 . 18 1 1 A 110 110 MET HA H 110 4.404 4.015 0.389 1
1 1309 . 18 1 1 A 110 110 MET C C 110 180.290 178.937 1.353 1
1 1310 . 18 1 1 A 110 110 MET CA C 110 56.876 58.553 -1.677 1
1 1311 . 18 1 1 A 110 110 MET CB C 110 30.002 31.838 -1.836 1
1 1314 . 18 1 1 A 110 110 MET N N 110 117.122 116.553 0.569 1
1 1315 . 18 1 1 A 111 111 GLU H H 111 8.062 7.663 0.399 1
1 1316 . 18 1 1 A 111 111 GLU HA H 111 4.126 4.015 0.111 1
1 1321 . 18 1 1 A 111 111 GLU C C 111 179.237 178.810 0.427 1
1 1322 . 18 1 1 A 111 111 GLU CA C 111 59.435 58.908 0.527 1
1 1323 . 18 1 1 A 111 111 GLU CB C 111 29.015 29.925 -0.910 1
1 1325 . 18 1 1 A 111 111 GLU N N 111 121.532 119.294 2.238 1
1 1326 . 18 1 1 A 112 112 ALA H H 112 7.975 7.760 0.215 1
1 1327 . 18 1 1 A 112 112 ALA HA H 112 4.265 4.147 0.118 1
1 1331 . 18 1 1 A 112 112 ALA C C 112 179.608 180.022 -0.414 1
1 1332 . 18 1 1 A 112 112 ALA CA C 112 54.158 54.962 -0.804 1
1 1333 . 18 1 1 A 112 112 ALA CB C 112 19.530 18.548 0.982 1
1 1334 . 18 1 1 A 112 112 ALA N N 112 121.838 122.557 -0.719 1
1 1335 . 18 1 1 A 113 113 ASN H H 113 8.115 8.371 -0.256 1
1 1336 . 18 1 1 A 113 113 ASN HA H 113 4.822 4.756 0.066 1
1 1341 . 18 1 1 A 113 113 ASN C C 113 176.296 175.926 0.370 1
1 1342 . 18 1 1 A 113 113 ASN CA C 113 56.311 56.162 0.149 1
1 1343 . 18 1 1 A 113 113 ASN CB C 113 40.283 38.805 1.478 1
1 1344 . 18 1 1 A 113 113 ASN N N 113 115.563 117.865 -2.302 1
1 1346 . 18 1 1 A 114 114 SER H H 114 7.365 7.910 -0.545 1
1 1347 . 18 1 1 A 114 114 SER HA H 114 4.545 3.992 0.553 1
1 1350 . 18 1 1 A 114 114 SER C C 114 174.126 173.407 0.719 1
1 1351 . 18 1 1 A 114 114 SER CA C 114 58.464 56.898 1.566 1
1 1352 . 18 1 1 A 114 114 SER CB C 114 64.400 63.104 1.296 1
1 1353 . 18 1 1 A 114 114 SER N N 114 108.652 108.704 -0.052 1
1 1354 . 18 1 1 A 115 115 THR H H 115 7.849 7.088 0.761 1
1 1355 . 18 1 1 A 115 115 THR HA H 115 4.599 4.969 -0.370 1
1 1360 . 18 1 1 A 115 115 THR C C 115 172.337 172.336 0.001 1
1 1361 . 18 1 1 A 115 115 THR CA C 115 60.817 59.253 1.564 1
1 1362 . 18 1 1 A 115 115 THR CB C 115 70.016 71.652 -1.636 1
1 1364 . 18 1 1 A 115 115 THR N N 115 118.885 115.517 3.368 1
1 1365 . 18 1 1 A 116 116 PRO HA H 116 4.404 4.910 -0.506 1
1 1372 . 18 1 1 A 116 116 PRO CA C 116 63.007 62.592 0.415 1
1 1373 . 18 1 1 A 116 116 PRO CB C 116 32.346 33.325 -0.979 1
1 1376 . 18 1 1 A 117 117 ALA H H 117 8.429 8.277 0.152 1
1 1377 . 18 1 1 A 117 117 ALA HA H 117 4.535 4.820 -0.285 1
1 1381 . 18 1 1 A 117 117 ALA CA C 117 50.359 49.807 0.552 1
1 1382 . 18 1 1 A 117 117 ALA CB C 117 18.069 21.823 -3.754 1
1 1383 . 18 1 1 A 117 117 ALA N N 117 125.693 121.771 3.922 1
1 1384 . 18 1 1 A 118 118 PRO HA H 118 4.377 4.330 0.047 1
1 1391 . 18 1 1 A 118 118 PRO C C 118 176.656 176.834 -0.178 1
1 1392 . 18 1 1 A 118 118 PRO CA C 118 63.105 65.444 -2.339 1
1 1393 . 18 1 1 A 118 118 PRO CB C 118 31.935 31.951 -0.016 1
1 1396 . 18 1 1 A 119 119 ALA H H 119 8.430 7.769 0.661 1
1 1397 . 18 1 1 A 119 119 ALA HA H 119 4.255 4.360 -0.105 1
1 1401 . 18 1 1 A 119 119 ALA C C 119 178.416 177.866 0.550 1
1 1402 . 18 1 1 A 119 119 ALA CA C 119 52.744 52.179 0.565 1
1 1403 . 18 1 1 A 119 119 ALA CB C 119 19.186 19.792 -0.606 1
1 1404 . 18 1 1 A 119 119 ALA N N 119 124.565 120.589 3.976 1
1 1405 . 18 1 1 A 120 120 GLY H H 120 8.375 8.530 -0.155 1
1 1406 . 18 1 1 A 120 120 GLY HA2 H 120 3.934 3.988 -0.054 1
1 1407 . 18 1 1 A 120 120 GLY HA3 H 120 3.934 3.988 -0.054 1
1 1408 . 18 1 1 A 120 120 GLY C C 120 173.810 173.274 0.536 1
1 1409 . 18 1 1 A 120 120 GLY CA C 120 45.176 45.610 -0.434 1
1 1410 . 18 1 1 A 120 120 GLY N N 120 108.353 106.089 2.264 1
1 1411 . 18 1 1 A 121 121 ALA H H 121 8.116 8.704 -0.588 1
1 1412 . 18 1 1 A 121 121 ALA HA H 121 4.379 4.874 -0.495 1
1 1416 . 18 1 1 A 121 121 ALA C C 121 177.908 175.114 2.794 1
1 1417 . 18 1 1 A 121 121 ALA CA C 121 52.446 51.608 0.838 1
1 1418 . 18 1 1 A 121 121 ALA CB C 121 19.433 23.085 -3.652 1
1 1419 . 18 1 1 A 121 121 ALA N N 121 123.561 125.033 -1.472 1
1 1420 . 18 1 1 A 122 122 THR H H 122 8.212 8.733 -0.521 1
1 1421 . 18 1 1 A 122 122 THR C C 122 174.317 174.098 0.219 1
1 1422 . 18 1 1 A 122 122 THR CA C 122 61.888 60.641 1.247 1
1 1423 . 18 1 1 A 122 122 THR CB C 122 69.648 70.320 -0.672 1
1 1425 . 18 1 1 A 122 122 THR N N 122 114.319 112.712 1.607 1
1 1426 . 18 1 1 A 123 123 VAL H H 123 8.222 8.674 -0.452 1
1 1427 . 18 1 1 A 123 123 VAL HA H 123 4.455 4.629 -0.174 1
1 1435 . 18 1 1 A 123 123 VAL C C 123 174.373 174.522 -0.149 1
1 1436 . 18 1 1 A 123 123 VAL CA C 123 59.717 59.611 0.106 1
1 1437 . 18 1 1 A 123 123 VAL CB C 123 32.593 32.785 -0.192 1
1 1440 . 18 1 1 A 123 123 VAL N N 123 124.311 123.137 1.174 1
1 1441 . 18 1 1 A 124 124 PRO HA H 124 4.403 4.676 -0.273 1
1 1446 . 18 1 1 A 124 124 PRO C C 124 176.873 176.771 0.102 1
1 1447 . 18 1 1 A 124 124 PRO CA C 124 63.211 62.639 0.572 1
1 1448 . 18 1 1 A 124 124 PRO CB C 124 32.017 33.159 -1.142 1
1 1451 . 18 1 1 A 125 125 SER H H 125 8.426 8.882 -0.456 1
1 1452 . 18 1 1 A 125 125 SER HA H 125 4.448 4.488 -0.040 1
1 1455 . 18 1 1 A 125 125 SER C C 125 174.598 175.039 -0.441 1
1 1456 . 18 1 1 A 125 125 SER CA C 125 58.341 60.337 -1.996 1
1 1457 . 18 1 1 A 125 125 SER CB C 125 64.054 64.099 -0.045 1
1 1458 . 18 1 1 A 125 125 SER N N 125 116.463 115.120 1.343 1
1 1459 . 18 1 1 A 126 126 GLY H H 126 8.233 7.697 0.536 1
1 1460 . 18 1 1 A 126 126 GLY C C 126 171.756 174.244 -2.488 1
1 1461 . 18 1 1 A 126 126 GLY CA C 126 44.611 45.524 -0.913 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.445 4.943 -0.498 1
1 4 . 19 1 1 A 6 6 SER C C 6 174.707 174.901 -0.194 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.482 57.589 0.893 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.848 66.582 -2.734 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.494 8.966 -0.472 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 4.105 4.086 0.019 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 4.105 4.109 -0.004 1
1 10 . 19 1 1 A 7 7 GLY C C 7 172.961 173.963 -1.002 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.864 46.195 -0.331 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.325 113.140 -2.815 1
1 13 . 19 1 1 A 8 8 LEU H H 8 8.295 8.003 0.292 1
1 14 . 19 1 1 A 8 8 LEU HA H 8 4.268 4.738 -0.470 1
1 24 . 19 1 1 A 8 8 LEU C C 8 176.773 176.086 0.687 1
1 25 . 19 1 1 A 8 8 LEU CA C 8 55.587 54.508 1.079 1
1 26 . 19 1 1 A 8 8 LEU CB C 8 43.367 43.002 0.365 1
1 30 . 19 1 1 A 8 8 LEU N N 8 123.800 123.112 0.688 1
1 31 . 19 1 1 A 9 9 VAL H H 9 9.290 9.084 0.206 1
1 32 . 19 1 1 A 9 9 VAL HA H 9 3.826 3.969 -0.143 1
1 40 . 19 1 1 A 9 9 VAL C C 9 176.540 175.784 0.756 1
1 41 . 19 1 1 A 9 9 VAL CA C 9 64.888 64.062 0.826 1
1 42 . 19 1 1 A 9 9 VAL CB C 9 32.264 32.143 0.121 1
1 45 . 19 1 1 A 9 9 VAL N N 9 129.415 127.033 2.382 1
1 46 . 19 1 1 A 10 10 ARG H H 10 7.135 7.709 -0.574 1
1 47 . 19 1 1 A 10 10 ARG HA H 10 4.126 4.667 -0.541 1
1 55 . 19 1 1 A 10 10 ARG C C 10 171.942 174.540 -2.598 1
1 56 . 19 1 1 A 10 10 ARG CA C 10 55.800 53.748 2.052 1
1 57 . 19 1 1 A 10 10 ARG CB C 10 32.223 33.272 -1.049 1
1 60 . 19 1 1 A 10 10 ARG N N 10 117.246 119.174 -1.928 1
1 62 . 19 1 1 A 11 11 GLY H H 11 8.390 8.340 0.050 1
1 63 . 19 1 1 A 11 11 GLY HA2 H 11 3.204 3.832 -0.628 1
1 64 . 19 1 1 A 11 11 GLY HA3 H 11 5.336 4.130 1.206 1
1 65 . 19 1 1 A 11 11 GLY C C 11 172.895 173.003 -0.108 1
1 66 . 19 1 1 A 11 11 GLY CA C 11 43.481 44.628 -1.147 1
1 67 . 19 1 1 A 11 11 GLY N N 11 113.527 110.199 3.328 1
1 68 . 19 1 1 A 12 12 GLY H H 12 7.935 8.116 -0.181 1
1 69 . 19 1 1 A 12 12 GLY C C 12 171.502 172.113 -0.611 1
1 70 . 19 1 1 A 12 12 GLY CA C 12 46.093 45.777 0.316 1
1 71 . 19 1 1 A 13 13 TRP H H 13 8.904 8.959 -0.055 1
1 72 . 19 1 1 A 13 13 TRP HA H 13 5.205 5.311 -0.106 1
1 81 . 19 1 1 A 13 13 TRP C C 13 177.926 176.433 1.493 1
1 82 . 19 1 1 A 13 13 TRP CA C 13 57.846 57.891 -0.045 1
1 83 . 19 1 1 A 13 13 TRP CB C 13 30.290 30.927 -0.637 1
1 89 . 19 1 1 A 13 13 TRP N N 13 121.758 121.303 0.455 1
1 91 . 19 1 1 A 14 14 LEU H H 14 9.295 8.770 0.525 1
1 92 . 19 1 1 A 14 14 LEU HA H 14 4.683 4.823 -0.140 1
1 102 . 19 1 1 A 14 14 LEU C C 14 175.828 176.235 -0.407 1
1 103 . 19 1 1 A 14 14 LEU CA C 14 54.670 53.514 1.156 1
1 104 . 19 1 1 A 14 14 LEU CB C 14 47.562 45.510 2.052 1
1 108 . 19 1 1 A 14 14 LEU N N 14 123.447 123.992 -0.545 1
1 109 . 19 1 1 A 15 15 TRP H H 15 8.655 9.000 -0.345 1
1 110 . 19 1 1 A 15 15 TRP HA H 15 5.315 4.988 0.327 1
1 119 . 19 1 1 A 15 15 TRP C C 15 175.899 176.012 -0.113 1
1 120 . 19 1 1 A 15 15 TRP CA C 15 57.159 58.041 -0.882 1
1 121 . 19 1 1 A 15 15 TRP CB C 15 30.759 29.818 0.941 1
1 127 . 19 1 1 A 15 15 TRP N N 15 119.571 124.556 -4.985 1
1 129 . 19 1 1 A 16 16 ARG H H 16 10.145 9.292 0.853 1
1 130 . 19 1 1 A 16 16 ARG HA H 16 5.495 5.329 0.166 1
1 138 . 19 1 1 A 16 16 ARG C C 16 174.930 174.216 0.714 1
1 139 . 19 1 1 A 16 16 ARG CA C 16 54.334 54.180 0.154 1
1 140 . 19 1 1 A 16 16 ARG CB C 16 34.808 33.127 1.681 1
1 143 . 19 1 1 A 16 16 ARG N N 16 121.997 125.826 -3.829 1
1 145 . 19 1 1 A 17 17 GLN H H 17 8.233 8.948 -0.715 1
1 146 . 19 1 1 A 17 17 GLN HA H 17 3.797 4.931 -1.134 1
1 153 . 19 1 1 A 17 17 GLN C C 17 175.654 175.523 0.131 1
1 154 . 19 1 1 A 17 17 GLN CA C 17 55.446 53.922 1.524 1
1 155 . 19 1 1 A 17 17 GLN CB C 17 29.056 30.460 -1.404 1
1 157 . 19 1 1 A 17 17 GLN N N 17 128.414 126.908 1.506 1
1 159 . 19 1 1 A 18 18 SER H H 18 8.635 8.531 0.104 1
1 160 . 19 1 1 A 18 18 SER HA H 18 4.575 4.754 -0.179 1
1 163 . 19 1 1 A 18 18 SER C C 18 175.585 174.508 1.077 1
1 164 . 19 1 1 A 18 18 SER CA C 18 57.246 56.923 0.323 1
1 165 . 19 1 1 A 18 18 SER CB C 18 64.012 64.523 -0.511 1
1 166 . 19 1 1 A 18 18 SER N N 18 122.600 120.439 2.161 1
1 167 . 19 1 1 A 20 20 ILE H H 20 7.976 7.591 0.385 1
1 168 . 19 1 1 A 20 20 ILE HA H 20 4.036 4.007 0.029 1
1 178 . 19 1 1 A 20 20 ILE C C 20 176.929 178.282 -1.353 1
1 179 . 19 1 1 A 20 20 ILE CA C 20 62.929 63.405 -0.476 1
1 180 . 19 1 1 A 20 20 ILE CB C 20 37.912 38.665 -0.753 1
1 184 . 19 1 1 A 20 20 ILE N N 20 120.700 119.629 1.071 1
1 185 . 19 1 1 A 21 21 LEU H H 21 8.089 7.898 0.191 1
1 186 . 19 1 1 A 21 21 LEU HA H 21 4.159 4.168 -0.009 1
1 196 . 19 1 1 A 21 21 LEU C C 21 176.455 176.288 0.167 1
1 197 . 19 1 1 A 21 21 LEU CA C 21 55.287 55.545 -0.258 1
1 198 . 19 1 1 A 21 21 LEU CB C 21 42.051 41.705 0.346 1
1 202 . 19 1 1 A 21 21 LEU N N 21 119.540 120.197 -0.657 1
1 203 . 19 1 1 A 22 22 ARG H H 22 7.687 7.736 -0.049 1
1 204 . 19 1 1 A 22 22 ARG HA H 22 3.806 3.895 -0.089 1
1 211 . 19 1 1 A 22 22 ARG C C 22 175.087 174.348 0.739 1
1 212 . 19 1 1 A 22 22 ARG CA C 22 56.788 56.905 -0.117 1
1 213 . 19 1 1 A 22 22 ARG CB C 22 27.130 27.319 -0.189 1
1 216 . 19 1 1 A 22 22 ARG N N 22 114.383 116.405 -2.022 1
1 217 . 19 1 1 A 23 23 ARG H H 23 7.392 7.555 -0.163 1
1 218 . 19 1 1 A 23 23 ARG HA H 23 4.603 4.680 -0.077 1
1 225 . 19 1 1 A 23 23 ARG C C 23 176.112 175.205 0.907 1
1 226 . 19 1 1 A 23 23 ARG CA C 23 54.846 54.585 0.261 1
1 227 . 19 1 1 A 23 23 ARG CB C 23 32.387 32.745 -0.358 1
1 230 . 19 1 1 A 23 23 ARG N N 23 115.846 117.125 -1.279 1
1 231 . 19 1 1 A 24 24 TRP H H 24 9.013 8.485 0.528 1
1 232 . 19 1 1 A 24 24 TRP HA H 24 5.154 5.201 -0.047 1
1 241 . 19 1 1 A 24 24 TRP C C 24 176.347 176.687 -0.340 1
1 242 . 19 1 1 A 24 24 TRP CA C 24 57.546 58.179 -0.633 1
1 243 . 19 1 1 A 24 24 TRP CB C 24 31.112 30.749 0.363 1
1 249 . 19 1 1 A 24 24 TRP N N 24 123.861 123.069 0.792 1
1 251 . 19 1 1 A 25 25 LYS H H 25 9.553 9.496 0.057 1
1 252 . 19 1 1 A 25 25 LYS HA H 25 4.992 5.502 -0.510 1
1 261 . 19 1 1 A 25 25 LYS C C 25 173.887 175.626 -1.739 1
1 262 . 19 1 1 A 25 25 LYS CA C 25 55.023 54.909 0.114 1
1 263 . 19 1 1 A 25 25 LYS CB C 25 35.965 36.454 -0.489 1
1 267 . 19 1 1 A 25 25 LYS N N 25 123.241 120.971 2.270 1
1 268 . 19 1 1 A 26 26 ARG H H 26 8.705 8.718 -0.013 1
1 269 . 19 1 1 A 26 26 ARG HA H 26 4.494 4.078 0.416 1
1 276 . 19 1 1 A 26 26 ARG C C 26 175.755 176.444 -0.689 1
1 277 . 19 1 1 A 26 26 ARG CA C 26 56.046 56.426 -0.380 1
1 278 . 19 1 1 A 26 26 ARG CB C 26 30.783 30.597 0.186 1
1 281 . 19 1 1 A 26 26 ARG N N 26 124.843 122.812 2.031 1
1 282 . 19 1 1 A 27 27 ASN H H 27 9.100 8.480 0.620 1
1 283 . 19 1 1 A 27 27 ASN HA H 27 5.235 5.275 -0.040 1
1 288 . 19 1 1 A 27 27 ASN CA C 27 54.041 51.890 2.151 1
1 289 . 19 1 1 A 27 27 ASN CB C 27 46.737 43.596 3.141 1
1 290 . 19 1 1 A 27 27 ASN N N 27 123.044 121.916 1.128 1
1 292 . 19 1 1 A 28 28 TRP H H 28 7.835 8.530 -0.695 1
1 293 . 19 1 1 A 28 28 TRP HA H 28 4.105 4.831 -0.726 1
1 299 . 19 1 1 A 28 28 TRP N N 28 122.540 123.900 -1.360 1
1 300 . 19 1 1 A 29 29 PHE H H 29 8.755 8.380 0.375 1
1 301 . 19 1 1 A 29 29 PHE HA H 29 5.001 4.820 0.181 1
1 309 . 19 1 1 A 29 29 PHE CA C 29 56.692 55.972 0.720 1
1 310 . 19 1 1 A 29 29 PHE CB C 29 42.284 40.942 1.342 1
1 316 . 19 1 1 A 29 29 PHE N N 29 129.716 126.259 3.457 1
1 317 . 19 1 1 A 30 30 ALA H H 30 8.695 8.384 0.311 1
1 321 . 19 1 1 A 30 30 ALA C C 30 173.958 174.509 -0.551 1
1 322 . 19 1 1 A 30 30 ALA CA C 30 50.611 50.763 -0.152 1
1 323 . 19 1 1 A 30 30 ALA CB C 30 22.570 22.253 0.317 1
1 324 . 19 1 1 A 31 31 LEU H H 31 8.815 8.118 0.697 1
1 325 . 19 1 1 A 31 31 LEU HA H 31 5.003 4.690 0.313 1
1 335 . 19 1 1 A 31 31 LEU C C 31 174.414 174.302 0.112 1
1 336 . 19 1 1 A 31 31 LEU CA C 31 53.240 53.584 -0.344 1
1 337 . 19 1 1 A 31 31 LEU CB C 31 44.783 44.693 0.090 1
1 341 . 19 1 1 A 31 31 LEU N N 31 124.610 124.248 0.362 1
1 342 . 19 1 1 A 32 32 TRP H H 32 9.045 8.725 0.320 1
1 343 . 19 1 1 A 32 32 TRP HA H 32 5.499 5.370 0.129 1
1 352 . 19 1 1 A 32 32 TRP C C 32 178.871 177.131 1.740 1
1 353 . 19 1 1 A 32 32 TRP CA C 32 55.552 55.826 -0.274 1
1 354 . 19 1 1 A 32 32 TRP CB C 32 32.346 32.480 -0.134 1
1 360 . 19 1 1 A 32 32 TRP N N 32 128.500 126.507 1.993 1
1 362 . 19 1 1 A 33 33 LEU H H 33 9.246 9.510 -0.264 1
1 363 . 19 1 1 A 33 33 LEU HA H 33 4.075 4.001 0.074 1
1 373 . 19 1 1 A 33 33 LEU C C 33 176.859 178.326 -1.467 1
1 374 . 19 1 1 A 33 33 LEU CA C 33 57.035 57.925 -0.890 1
1 375 . 19 1 1 A 33 33 LEU CB C 33 42.651 41.325 1.326 1
1 379 . 19 1 1 A 33 33 LEU N N 33 123.838 126.001 -2.163 1
1 380 . 19 1 1 A 34 34 ASP H H 34 7.536 7.973 -0.437 1
1 381 . 19 1 1 A 34 34 ASP HA H 34 4.395 4.512 -0.117 1
1 384 . 19 1 1 A 34 34 ASP C C 34 177.113 176.579 0.534 1
1 385 . 19 1 1 A 34 34 ASP CA C 34 53.805 54.703 -0.898 1
1 386 . 19 1 1 A 34 34 ASP CB C 34 39.625 41.022 -1.397 1
1 387 . 19 1 1 A 34 34 ASP N N 34 115.948 116.168 -0.220 1
1 388 . 19 1 1 A 35 35 GLY H H 35 8.264 8.673 -0.409 1
1 389 . 19 1 1 A 35 35 GLY HA2 H 35 4.205 4.018 0.187 1
1 390 . 19 1 1 A 35 35 GLY HA3 H 35 3.895 4.024 -0.129 1
1 391 . 19 1 1 A 35 35 GLY C C 35 173.898 173.891 0.007 1
1 392 . 19 1 1 A 35 35 GLY CA C 35 46.216 45.947 0.269 1
1 393 . 19 1 1 A 35 35 GLY N N 35 106.508 107.213 -0.705 1
1 394 . 19 1 1 A 36 36 THR H H 36 8.035 7.732 0.303 1
1 395 . 19 1 1 A 36 36 THR HA H 36 5.123 5.097 0.026 1
1 400 . 19 1 1 A 36 36 THR C C 36 170.669 173.143 -2.474 1
1 401 . 19 1 1 A 36 36 THR CA C 36 60.588 59.337 1.251 1
1 402 . 19 1 1 A 36 36 THR CB C 36 72.314 72.578 -0.264 1
1 404 . 19 1 1 A 36 36 THR N N 36 112.047 110.383 1.664 1
1 405 . 19 1 1 A 37 37 LEU H H 37 9.344 9.247 0.097 1
1 406 . 19 1 1 A 37 37 LEU HA H 37 5.616 5.150 0.466 1
1 416 . 19 1 1 A 37 37 LEU C C 37 175.787 174.932 0.855 1
1 417 . 19 1 1 A 37 37 LEU CA C 37 52.799 53.697 -0.898 1
1 418 . 19 1 1 A 37 37 LEU CB C 37 46.698 45.015 1.683 1
1 422 . 19 1 1 A 37 37 LEU N N 37 122.915 123.819 -0.904 1
1 423 . 19 1 1 A 38 38 GLY H H 38 9.685 8.812 0.873 1
1 424 . 19 1 1 A 38 38 GLY HA2 H 38 5.074 4.140 0.934 1
1 425 . 19 1 1 A 38 38 GLY HA3 H 38 3.825 4.295 -0.470 1
1 426 . 19 1 1 A 38 38 GLY C C 38 172.258 172.208 0.050 1
1 427 . 19 1 1 A 38 38 GLY CA C 38 43.676 44.071 -0.395 1
1 428 . 19 1 1 A 38 38 GLY N N 38 113.092 114.053 -0.961 1
1 429 . 19 1 1 A 39 39 TYR H H 39 7.362 8.228 -0.866 1
1 430 . 19 1 1 A 39 39 TYR HA H 39 5.251 5.410 -0.159 1
1 437 . 19 1 1 A 39 39 TYR C C 39 175.367 173.619 1.748 1
1 438 . 19 1 1 A 39 39 TYR CA C 39 54.282 55.024 -0.742 1
1 439 . 19 1 1 A 39 39 TYR CB C 39 37.774 40.088 -2.314 1
1 444 . 19 1 1 A 39 39 TYR N N 39 113.951 118.513 -4.562 1
1 445 . 19 1 1 A 40 40 TYR H H 40 9.315 9.290 0.025 1
1 446 . 19 1 1 A 40 40 TYR HA H 40 5.305 4.734 0.571 1
1 453 . 19 1 1 A 40 40 TYR C C 40 177.694 176.239 1.455 1
1 454 . 19 1 1 A 40 40 TYR CA C 40 57.185 57.308 -0.123 1
1 455 . 19 1 1 A 40 40 TYR CB C 40 43.779 41.130 2.649 1
1 460 . 19 1 1 A 40 40 TYR N N 40 117.930 122.043 -4.113 1
1 461 . 19 1 1 A 41 41 HIS H H 41 8.658 8.978 -0.320 1
1 462 . 19 1 1 A 41 41 HIS HA H 41 4.654 4.604 0.050 1
1 467 . 19 1 1 A 41 41 HIS C C 41 174.858 175.150 -0.292 1
1 468 . 19 1 1 A 41 41 HIS CA C 41 59.159 58.664 0.495 1
1 469 . 19 1 1 A 41 41 HIS CB C 41 31.094 30.648 0.446 1
1 472 . 19 1 1 A 41 41 HIS N N 41 121.927 120.935 0.992 1
1 473 . 19 1 1 A 42 42 ASP H H 42 8.095 8.002 0.093 1
1 474 . 19 1 1 A 42 42 ASP HA H 42 4.795 5.109 -0.314 1
1 477 . 19 1 1 A 42 42 ASP C C 42 175.052 176.631 -1.579 1
1 478 . 19 1 1 A 42 42 ASP CA C 42 53.155 51.994 1.161 1
1 479 . 19 1 1 A 42 42 ASP CB C 42 41.860 42.702 -0.842 1
1 480 . 19 1 1 A 42 42 ASP N N 42 112.020 116.310 -4.290 1
1 481 . 19 1 1 A 43 43 GLU H H 43 8.899 8.932 -0.033 1
1 482 . 19 1 1 A 43 43 GLU C C 43 176.336 177.555 -1.219 1
1 483 . 19 1 1 A 43 43 GLU CA C 43 57.021 58.971 -1.950 1
1 484 . 19 1 1 A 43 43 GLU CB C 43 27.493 29.196 -1.703 1
1 485 . 19 1 1 A 43 43 GLU N N 43 116.402 119.942 -3.540 1
1 486 . 19 1 1 A 44 44 THR H H 44 8.093 7.861 0.232 1
1 487 . 19 1 1 A 44 44 THR HA H 44 3.915 3.983 -0.068 1
1 492 . 19 1 1 A 44 44 THR CA C 44 63.143 64.904 -1.761 1
1 493 . 19 1 1 A 44 44 THR CB C 44 69.620 68.568 1.052 1
1 495 . 19 1 1 A 44 44 THR N N 44 111.376 113.221 -1.845 1
1 496 . 19 1 1 A 45 45 ALA H H 45 7.815 7.686 0.129 1
1 497 . 19 1 1 A 45 45 ALA HA H 45 3.430 3.385 0.045 1
1 501 . 19 1 1 A 45 45 ALA C C 45 175.091 177.093 -2.002 1
1 502 . 19 1 1 A 45 45 ALA CA C 45 53.434 52.420 1.014 1
1 503 . 19 1 1 A 45 45 ALA CB C 45 15.567 16.877 -1.310 1
1 504 . 19 1 1 A 46 46 GLN H H 46 7.869 8.213 -0.344 1
1 505 . 19 1 1 A 46 46 GLN HA H 46 4.238 4.391 -0.153 1
1 512 . 19 1 1 A 46 46 GLN C C 46 176.190 175.702 0.488 1
1 513 . 19 1 1 A 46 46 GLN CA C 46 56.929 55.720 1.209 1
1 514 . 19 1 1 A 46 46 GLN CB C 46 30.454 29.354 1.100 1
1 516 . 19 1 1 A 46 46 GLN N N 46 115.953 113.945 2.008 1
1 518 . 19 1 1 A 47 47 ASP H H 47 8.326 8.123 0.203 1
1 519 . 19 1 1 A 47 47 ASP HA H 47 4.954 4.949 0.005 1
1 522 . 19 1 1 A 47 47 ASP C C 47 173.846 175.504 -1.658 1
1 523 . 19 1 1 A 47 47 ASP CA C 47 52.993 52.793 0.200 1
1 524 . 19 1 1 A 47 47 ASP CB C 47 41.558 41.424 0.134 1
1 525 . 19 1 1 A 47 47 ASP N N 47 119.830 120.564 -0.734 1
1 526 . 19 1 1 A 48 48 GLU H H 48 8.756 7.920 0.836 1
1 527 . 19 1 1 A 48 48 GLU HA H 48 3.785 2.999 0.786 1
1 532 . 19 1 1 A 48 48 GLU C C 48 175.892 177.247 -1.355 1
1 533 . 19 1 1 A 48 48 GLU CA C 48 56.470 56.990 -0.520 1
1 534 . 19 1 1 A 48 48 GLU CB C 48 32.264 30.240 2.024 1
1 536 . 19 1 1 A 48 48 GLU N N 48 125.923 123.284 2.639 1
1 537 . 19 1 1 A 49 49 GLU H H 49 8.945 7.916 1.029 1
1 538 . 19 1 1 A 49 49 GLU HA H 49 4.164 4.093 0.071 1
1 543 . 19 1 1 A 49 49 GLU C C 49 176.040 175.164 0.876 1
1 544 . 19 1 1 A 49 49 GLU CA C 49 58.447 58.229 0.218 1
1 545 . 19 1 1 A 49 49 GLU CB C 49 30.207 30.430 -0.223 1
1 547 . 19 1 1 A 49 49 GLU N N 49 129.751 127.366 2.385 1
1 548 . 19 1 1 A 50 50 ASP H H 50 6.736 6.912 -0.176 1
1 549 . 19 1 1 A 50 50 ASP HA H 50 4.355 4.825 -0.470 1
1 552 . 19 1 1 A 50 50 ASP C C 50 172.562 173.423 -0.861 1
1 553 . 19 1 1 A 50 50 ASP CA C 50 52.729 53.179 -0.450 1
1 554 . 19 1 1 A 50 50 ASP CB C 50 43.737 43.998 -0.261 1
1 555 . 19 1 1 A 50 50 ASP N N 50 113.574 117.360 -3.786 1
1 556 . 19 1 1 A 51 51 ARG H H 51 8.532 8.615 -0.083 1
1 557 . 19 1 1 A 51 51 ARG HA H 51 5.005 5.107 -0.102 1
1 565 . 19 1 1 A 51 51 ARG C C 51 174.656 174.604 0.052 1
1 566 . 19 1 1 A 51 51 ARG CA C 51 55.605 55.193 0.412 1
1 567 . 19 1 1 A 51 51 ARG CB C 51 33.520 33.792 -0.272 1
1 570 . 19 1 1 A 51 51 ARG N N 51 117.888 123.054 -5.166 1
1 572 . 19 1 1 A 52 52 VAL H H 52 9.155 9.393 -0.238 1
1 573 . 19 1 1 A 52 52 VAL HA H 52 4.616 4.945 -0.329 1
1 581 . 19 1 1 A 52 52 VAL C C 52 174.710 175.445 -0.735 1
1 582 . 19 1 1 A 52 52 VAL CA C 52 59.382 60.316 -0.934 1
1 583 . 19 1 1 A 52 52 VAL CB C 52 35.266 34.582 0.684 1
1 586 . 19 1 1 A 52 52 VAL N N 52 121.629 121.997 -0.368 1
1 587 . 19 1 1 A 53 53 VAL H H 53 8.956 9.039 -0.083 1
1 588 . 19 1 1 A 53 53 VAL HA H 53 3.745 4.124 -0.379 1
1 596 . 19 1 1 A 53 53 VAL C C 53 174.610 175.671 -1.061 1
1 597 . 19 1 1 A 53 53 VAL CA C 53 64.676 63.623 1.053 1
1 598 . 19 1 1 A 53 53 VAL CB C 53 32.305 32.191 0.114 1
1 601 . 19 1 1 A 53 53 VAL N N 53 125.547 126.116 -0.569 1
1 602 . 19 1 1 A 54 54 ILE H H 54 8.705 9.121 -0.416 1
1 603 . 19 1 1 A 54 54 ILE HA H 54 4.324 4.321 0.003 1
1 613 . 19 1 1 A 54 54 ILE C C 54 176.747 176.246 0.501 1
1 614 . 19 1 1 A 54 54 ILE CA C 54 58.623 62.866 -4.243 1
1 615 . 19 1 1 A 54 54 ILE CB C 54 36.787 39.604 -2.817 1
1 619 . 19 1 1 A 54 54 ILE N N 54 126.147 125.911 0.236 1
1 620 . 19 1 1 A 55 55 HIS H H 55 7.913 7.592 0.321 1
1 621 . 19 1 1 A 55 55 HIS HA H 55 4.626 4.216 0.410 1
1 626 . 19 1 1 A 55 55 HIS C C 55 174.365 175.642 -1.277 1
1 627 . 19 1 1 A 55 55 HIS CA C 55 57.917 57.054 0.863 1
1 628 . 19 1 1 A 55 55 HIS CB C 55 29.796 29.700 0.096 1
1 631 . 19 1 1 A 55 55 HIS N N 55 119.790 123.160 -3.370 1
1 632 . 19 1 1 A 56 56 PHE H H 56 9.382 8.491 0.891 1
1 633 . 19 1 1 A 56 56 PHE HA H 56 4.225 4.173 0.052 1
1 641 . 19 1 1 A 56 56 PHE C C 56 175.781 175.081 0.700 1
1 642 . 19 1 1 A 56 56 PHE CA C 56 57.593 58.365 -0.772 1
1 643 . 19 1 1 A 56 56 PHE CB C 56 36.664 36.144 0.520 1
1 649 . 19 1 1 A 56 56 PHE N N 56 124.614 122.454 2.160 1
1 650 . 19 1 1 A 57 57 ASN H H 57 8.755 7.773 0.982 1
1 651 . 19 1 1 A 57 57 ASN HA H 57 5.319 5.046 0.273 1
1 656 . 19 1 1 A 57 57 ASN C C 57 175.317 175.334 -0.017 1
1 657 . 19 1 1 A 57 57 ASN CA C 57 52.129 53.710 -1.581 1
1 658 . 19 1 1 A 57 57 ASN CB C 57 41.640 40.870 0.770 1
1 659 . 19 1 1 A 57 57 ASN N N 57 114.893 116.241 -1.348 1
1 661 . 19 1 1 A 58 58 VAL H H 58 8.606 7.583 1.023 1
1 662 . 19 1 1 A 58 58 VAL HA H 58 4.138 4.550 -0.412 1
1 670 . 19 1 1 A 58 58 VAL C C 58 175.486 176.079 -0.593 1
1 671 . 19 1 1 A 58 58 VAL CA C 58 63.035 63.291 -0.256 1
1 672 . 19 1 1 A 58 58 VAL CB C 58 32.733 31.507 1.226 1
1 675 . 19 1 1 A 58 58 VAL N N 58 121.476 119.121 2.355 1
1 676 . 19 1 1 A 59 59 ARG H H 59 9.233 8.825 0.408 1
1 677 . 19 1 1 A 59 59 ARG HA H 59 4.184 4.229 -0.045 1
1 684 . 19 1 1 A 59 59 ARG C C 59 175.572 175.686 -0.114 1
1 685 . 19 1 1 A 59 59 ARG CA C 59 58.093 57.751 0.342 1
1 686 . 19 1 1 A 59 59 ARG CB C 59 31.236 31.279 -0.043 1
1 689 . 19 1 1 A 59 59 ARG N N 59 128.965 129.985 -1.020 1
1 690 . 19 1 1 A 60 60 ASP H H 60 7.745 7.684 0.061 1
1 691 . 19 1 1 A 60 60 ASP HA H 60 4.485 5.009 -0.524 1
1 694 . 19 1 1 A 60 60 ASP C C 60 173.047 173.614 -0.567 1
1 695 . 19 1 1 A 60 60 ASP CA C 60 53.911 53.196 0.715 1
1 696 . 19 1 1 A 60 60 ASP CB C 60 42.874 43.137 -0.263 1
1 697 . 19 1 1 A 60 60 ASP N N 60 113.170 114.341 -1.171 1
1 698 . 19 1 1 A 61 61 ILE H H 61 8.398 8.579 -0.181 1
1 699 . 19 1 1 A 61 61 ILE HA H 61 5.055 5.070 -0.015 1
1 709 . 19 1 1 A 61 61 ILE C C 61 174.897 174.328 0.569 1
1 710 . 19 1 1 A 61 61 ILE CA C 61 60.511 60.584 -0.073 1
1 711 . 19 1 1 A 61 61 ILE CB C 61 41.558 40.941 0.617 1
1 715 . 19 1 1 A 61 61 ILE N N 61 118.375 118.942 -0.567 1
1 716 . 19 1 1 A 62 62 LYS H H 62 8.619 8.911 -0.292 1
1 717 . 19 1 1 A 62 62 LYS HA H 62 4.711 4.934 -0.223 1
1 726 . 19 1 1 A 62 62 LYS C C 62 174.636 176.188 -1.552 1
1 727 . 19 1 1 A 62 62 LYS CA C 62 53.947 55.500 -1.553 1
1 728 . 19 1 1 A 62 62 LYS CB C 62 35.677 34.006 1.671 1
1 732 . 19 1 1 A 62 62 LYS N N 62 128.701 127.420 1.281 1
1 733 . 19 1 1 A 63 63 VAL H H 63 8.946 8.872 0.074 1
1 734 . 19 1 1 A 63 63 VAL HA H 63 5.073 4.783 0.290 1
1 742 . 19 1 1 A 63 63 VAL C C 63 177.772 176.278 1.494 1
1 743 . 19 1 1 A 63 63 VAL CA C 63 59.734 60.874 -1.140 1
1 744 . 19 1 1 A 63 63 VAL CB C 63 36.210 34.418 1.792 1
1 747 . 19 1 1 A 63 63 VAL N N 63 120.053 123.582 -3.529 1
1 748 . 19 1 1 A 64 64 GLY H H 64 9.804 9.059 0.745 1
1 749 . 19 1 1 A 64 64 GLY HA2 H 64 4.415 3.971 0.444 1
1 750 . 19 1 1 A 64 64 GLY HA3 H 64 3.906 3.972 -0.066 1
1 751 . 19 1 1 A 64 64 GLY C C 64 176.864 175.187 1.677 1
1 752 . 19 1 1 A 64 64 GLY CA C 64 47.063 47.002 0.061 1
1 753 . 19 1 1 A 64 64 GLY N N 64 118.354 115.068 3.286 1
1 754 . 19 1 1 A 65 65 GLN H H 65 9.045 8.830 0.215 1
1 755 . 19 1 1 A 65 65 GLN HA H 65 3.944 4.030 -0.086 1
1 762 . 19 1 1 A 65 65 GLN C C 65 176.698 177.980 -1.282 1
1 763 . 19 1 1 A 65 65 GLN CA C 65 57.793 59.225 -1.432 1
1 764 . 19 1 1 A 65 65 GLN CB C 65 27.822 28.774 -0.952 1
1 766 . 19 1 1 A 65 65 GLN N N 65 124.600 124.929 -0.329 1
1 768 . 19 1 1 A 66 66 GLU H H 66 7.886 7.669 0.217 1
1 769 . 19 1 1 A 66 66 GLU HA H 66 4.145 4.044 0.101 1
1 774 . 19 1 1 A 66 66 GLU C C 66 178.049 177.432 0.617 1
1 775 . 19 1 1 A 66 66 GLU CA C 66 57.564 59.457 -1.893 1
1 776 . 19 1 1 A 66 66 GLU CB C 66 31.236 29.313 1.923 1
1 778 . 19 1 1 A 66 66 GLU N N 66 116.486 118.305 -1.819 1
1 779 . 19 1 1 A 67 67 CYS H H 67 8.015 8.142 -0.127 1
1 780 . 19 1 1 A 67 67 CYS HA H 67 4.331 4.547 -0.216 1
1 783 . 19 1 1 A 67 67 CYS C C 67 175.278 175.443 -0.165 1
1 784 . 19 1 1 A 67 67 CYS CA C 67 58.817 57.928 0.889 1
1 785 . 19 1 1 A 67 67 CYS CB C 67 26.342 27.836 -1.494 1
1 786 . 19 1 1 A 67 67 CYS N N 67 119.526 117.414 2.112 1
1 787 . 19 1 1 A 68 68 GLN H H 68 7.983 8.548 -0.565 1
1 788 . 19 1 1 A 68 68 GLN HA H 68 4.199 4.625 -0.426 1
1 795 . 19 1 1 A 68 68 GLN C C 68 175.866 176.233 -0.367 1
1 796 . 19 1 1 A 68 68 GLN CA C 68 56.399 55.616 0.783 1
1 797 . 19 1 1 A 68 68 GLN CB C 68 29.837 29.893 -0.056 1
1 799 . 19 1 1 A 68 68 GLN N N 68 120.826 124.227 -3.401 1
1 801 . 19 1 1 A 69 69 ASP H H 69 8.755 7.986 0.769 1
1 802 . 19 1 1 A 69 69 ASP HA H 69 4.395 4.738 -0.343 1
1 805 . 19 1 1 A 69 69 ASP C C 69 174.652 175.369 -0.717 1
1 806 . 19 1 1 A 69 69 ASP CA C 69 54.546 53.491 1.055 1
1 807 . 19 1 1 A 69 69 ASP CB C 69 39.954 41.364 -1.410 1
1 808 . 19 1 1 A 69 69 ASP N N 69 117.691 119.404 -1.713 1
1 809 . 19 1 1 A 70 70 VAL H H 70 7.245 7.466 -0.221 1
1 810 . 19 1 1 A 70 70 VAL HA H 70 4.173 4.653 -0.480 1
1 818 . 19 1 1 A 70 70 VAL C C 70 173.502 174.724 -1.222 1
1 819 . 19 1 1 A 70 70 VAL CA C 70 60.502 60.548 -0.046 1
1 820 . 19 1 1 A 70 70 VAL CB C 70 34.397 35.855 -1.458 1
1 823 . 19 1 1 A 70 70 VAL N N 70 116.632 119.420 -2.788 1
1 824 . 19 1 1 A 71 71 GLN H H 71 8.513 8.587 -0.074 1
1 825 . 19 1 1 A 71 71 GLN HA H 71 4.758 4.946 -0.188 1
1 832 . 19 1 1 A 71 71 GLN C C 71 173.404 174.189 -0.785 1
1 833 . 19 1 1 A 71 71 GLN CA C 71 52.093 52.277 -0.184 1
1 834 . 19 1 1 A 71 71 GLN CB C 71 29.467 29.320 0.147 1
1 836 . 19 1 1 A 71 71 GLN N N 71 125.361 127.164 -1.803 1
1 838 . 19 1 1 A 72 72 PRO HA H 72 3.955 4.499 -0.544 1
1 845 . 19 1 1 A 72 72 PRO CA C 72 61.219 61.388 -0.169 1
1 846 . 19 1 1 A 72 72 PRO CB C 72 30.548 31.295 -0.747 1
1 849 . 19 1 1 A 73 73 PRO HA H 73 3.584 4.487 -0.903 1
1 856 . 19 1 1 A 73 73 PRO C C 73 175.005 176.574 -1.569 1
1 857 . 19 1 1 A 73 73 PRO CA C 73 61.764 62.351 -0.587 1
1 858 . 19 1 1 A 73 73 PRO CB C 73 30.080 31.393 -1.313 1
1 861 . 19 1 1 A 74 74 GLU H H 74 8.066 8.462 -0.396 1
1 862 . 19 1 1 A 74 74 GLU HA H 74 3.766 3.827 -0.061 1
1 867 . 19 1 1 A 74 74 GLU C C 74 177.415 177.186 0.229 1
1 868 . 19 1 1 A 74 74 GLU CA C 74 58.005 58.590 -0.585 1
1 869 . 19 1 1 A 74 74 GLU CB C 74 29.340 29.298 0.042 1
1 871 . 19 1 1 A 74 74 GLU N N 74 120.425 122.218 -1.793 1
1 872 . 19 1 1 A 75 75 GLY H H 75 8.576 8.664 -0.088 1
1 873 . 19 1 1 A 75 75 GLY HA2 H 75 4.024 3.925 0.099 1
1 874 . 19 1 1 A 75 75 GLY HA3 H 75 3.568 3.954 -0.386 1
1 875 . 19 1 1 A 75 75 GLY C C 75 174.093 174.941 -0.848 1
1 876 . 19 1 1 A 75 75 GLY CA C 75 45.299 45.185 0.114 1
1 877 . 19 1 1 A 75 75 GLY N N 75 112.779 112.758 0.021 1
1 878 . 19 1 1 A 76 76 ARG H H 76 7.791 7.324 0.467 1
1 879 . 19 1 1 A 76 76 ARG HA H 76 4.444 4.393 0.051 1
1 887 . 19 1 1 A 76 76 ARG C C 76 175.188 174.729 0.459 1
1 888 . 19 1 1 A 76 76 ARG CA C 76 54.617 55.612 -0.995 1
1 889 . 19 1 1 A 76 76 ARG CB C 76 31.030 32.055 -1.025 1
1 892 . 19 1 1 A 76 76 ARG N N 76 121.088 121.329 -0.241 1
1 894 . 19 1 1 A 77 77 SER H H 77 8.235 8.407 -0.172 1
1 895 . 19 1 1 A 77 77 SER HA H 77 4.405 4.693 -0.288 1
1 898 . 19 1 1 A 77 77 SER C C 77 176.069 174.857 1.212 1
1 899 . 19 1 1 A 77 77 SER CA C 77 56.805 56.008 0.797 1
1 900 . 19 1 1 A 77 77 SER CB C 77 64.136 65.767 -1.631 1
1 901 . 19 1 1 A 77 77 SER N N 77 113.991 116.509 -2.518 1
1 902 . 19 1 1 A 78 78 ARG H H 78 8.745 8.666 0.079 1
1 903 . 19 1 1 A 78 78 ARG HA H 78 3.774 4.272 -0.498 1
1 909 . 19 1 1 A 78 78 ARG C C 78 176.758 176.964 -0.206 1
1 910 . 19 1 1 A 78 78 ARG CA C 78 58.341 57.623 0.718 1
1 911 . 19 1 1 A 78 78 ARG CB C 78 30.043 30.043 0.000 1
1 914 . 19 1 1 A 78 78 ARG N N 78 122.262 125.469 -3.207 1
1 915 . 19 1 1 A 79 79 ASP H H 79 8.106 8.033 0.073 1
1 916 . 19 1 1 A 79 79 ASP HA H 79 4.175 4.465 -0.290 1
1 919 . 19 1 1 A 79 79 ASP C C 79 175.579 177.914 -2.335 1
1 920 . 19 1 1 A 79 79 ASP CA C 79 57.159 56.171 0.988 1
1 921 . 19 1 1 A 79 79 ASP CB C 79 40.900 40.626 0.274 1
1 922 . 19 1 1 A 79 79 ASP N N 79 115.963 118.707 -2.744 1
1 923 . 19 1 1 A 80 80 GLY H H 80 7.305 8.016 -0.711 1
1 924 . 19 1 1 A 80 80 GLY HA2 H 80 4.047 3.963 0.084 1
1 925 . 19 1 1 A 80 80 GLY HA3 H 80 3.387 4.002 -0.615 1
1 926 . 19 1 1 A 80 80 GLY C C 80 174.263 174.601 -0.338 1
1 927 . 19 1 1 A 80 80 GLY CA C 80 44.276 45.699 -1.423 1
1 928 . 19 1 1 A 80 80 GLY N N 80 101.592 107.583 -5.991 1
1 929 . 19 1 1 A 81 81 LEU H H 81 7.307 7.266 0.041 1
1 930 . 19 1 1 A 81 81 LEU HA H 81 4.494 4.165 0.329 1
1 940 . 19 1 1 A 81 81 LEU C C 81 176.212 176.567 -0.355 1
1 941 . 19 1 1 A 81 81 LEU CA C 81 56.346 55.929 0.417 1
1 942 . 19 1 1 A 81 81 LEU CB C 81 44.025 42.233 1.792 1
1 946 . 19 1 1 A 81 81 LEU N N 81 121.062 121.772 -0.710 1
1 947 . 19 1 1 A 82 82 LEU H H 82 8.286 8.485 -0.199 1
1 948 . 19 1 1 A 82 82 LEU HA H 82 5.260 5.070 0.190 1
1 958 . 19 1 1 A 82 82 LEU C C 82 175.122 174.664 0.458 1
1 959 . 19 1 1 A 82 82 LEU CA C 82 55.334 54.630 0.704 1
1 960 . 19 1 1 A 82 82 LEU CB C 82 46.064 44.873 1.191 1
1 964 . 19 1 1 A 82 82 LEU N N 82 118.524 125.364 -6.840 1
1 965 . 19 1 1 A 83 83 THR H H 83 9.095 9.286 -0.191 1
1 966 . 19 1 1 A 83 83 THR HA H 83 5.305 5.365 -0.060 1
1 971 . 19 1 1 A 83 83 THR C C 83 173.754 173.789 -0.035 1
1 972 . 19 1 1 A 83 83 THR CA C 83 61.076 61.772 -0.696 1
1 973 . 19 1 1 A 83 83 THR CB C 83 71.268 70.203 1.065 1
1 975 . 19 1 1 A 83 83 THR N N 83 120.894 123.283 -2.389 1
1 976 . 19 1 1 A 84 84 VAL H H 84 9.175 8.902 0.273 1
1 977 . 19 1 1 A 84 84 VAL HA H 84 4.205 4.446 -0.241 1
1 985 . 19 1 1 A 84 84 VAL C C 84 173.741 174.791 -1.050 1
1 986 . 19 1 1 A 84 84 VAL CA C 84 61.182 60.970 0.212 1
1 987 . 19 1 1 A 84 84 VAL CB C 84 32.921 33.671 -0.750 1
1 990 . 19 1 1 A 84 84 VAL N N 84 127.342 127.809 -0.467 1
1 991 . 19 1 1 A 85 85 ASN H H 85 8.597 8.922 -0.325 1
1 992 . 19 1 1 A 85 85 ASN HA H 85 4.960 5.350 -0.390 1
1 997 . 19 1 1 A 85 85 ASN C C 85 174.440 174.279 0.161 1
1 998 . 19 1 1 A 85 85 ASN CA C 85 52.870 52.333 0.537 1
1 999 . 19 1 1 A 85 85 ASN CB C 85 39.214 41.005 -1.791 1
1 1000 . 19 1 1 A 85 85 ASN N N 85 125.999 125.678 0.321 1
1 1002 . 19 1 1 A 86 86 LEU H H 86 8.283 8.348 -0.065 1
1 1003 . 19 1 1 A 86 86 LEU HA H 86 5.176 5.100 0.076 1
1 1013 . 19 1 1 A 86 86 LEU C C 86 178.644 177.730 0.914 1
1 1014 . 19 1 1 A 86 86 LEU CA C 86 53.700 53.211 0.489 1
1 1015 . 19 1 1 A 86 86 LEU CB C 86 42.298 44.403 -2.105 1
1 1019 . 19 1 1 A 86 86 LEU N N 86 125.763 122.646 3.117 1
1 1020 . 19 1 1 A 87 87 ARG H H 87 8.655 9.162 -0.507 1
1 1021 . 19 1 1 A 87 87 ARG HA H 87 3.905 4.138 -0.233 1
1 1028 . 19 1 1 A 87 87 ARG C C 87 177.223 177.905 -0.682 1
1 1029 . 19 1 1 A 87 87 ARG CA C 87 59.717 58.053 1.664 1
1 1030 . 19 1 1 A 87 87 ARG CB C 87 29.280 29.767 -0.487 1
1 1033 . 19 1 1 A 87 87 ARG N N 87 123.105 121.868 1.237 1
1 1034 . 19 1 1 A 88 88 GLU H H 88 8.525 7.963 0.562 1
1 1035 . 19 1 1 A 88 88 GLU HA H 88 4.515 4.287 0.228 1
1 1040 . 19 1 1 A 88 88 GLU C C 88 175.762 176.612 -0.850 1
1 1041 . 19 1 1 A 88 88 GLU CA C 88 55.852 56.941 -1.089 1
1 1042 . 19 1 1 A 88 88 GLU CB C 88 30.249 30.319 -0.070 1
1 1044 . 19 1 1 A 88 88 GLU N N 88 117.722 117.097 0.625 1
1 1045 . 19 1 1 A 89 89 GLY H H 89 8.063 7.971 0.092 1
1 1046 . 19 1 1 A 89 89 GLY HA2 H 89 3.735 4.058 -0.323 1
1 1047 . 19 1 1 A 89 89 GLY HA3 H 89 4.536 4.061 0.475 1
1 1048 . 19 1 1 A 89 89 GLY C C 89 173.864 173.512 0.352 1
1 1049 . 19 1 1 A 89 89 GLY CA C 89 44.222 45.543 -1.321 1
1 1050 . 19 1 1 A 89 89 GLY N N 89 110.616 109.404 1.212 1
1 1051 . 19 1 1 A 90 90 SER H H 90 8.094 7.736 0.358 1
1 1052 . 19 1 1 A 90 90 SER HA H 90 4.484 4.907 -0.423 1
1 1055 . 19 1 1 A 90 90 SER C C 90 172.813 172.595 0.218 1
1 1056 . 19 1 1 A 90 90 SER CA C 90 58.552 57.530 1.022 1
1 1057 . 19 1 1 A 90 90 SER CB C 90 63.915 66.378 -2.463 1
1 1058 . 19 1 1 A 90 90 SER N N 90 116.620 114.069 2.551 1
1 1059 . 19 1 1 A 91 91 ARG H H 91 8.285 8.613 -0.328 1
1 1060 . 19 1 1 A 91 91 ARG HA H 91 4.725 4.938 -0.213 1
1 1067 . 19 1 1 A 91 91 ARG C C 91 175.511 175.185 0.326 1
1 1068 . 19 1 1 A 91 91 ARG CA C 91 55.870 55.064 0.806 1
1 1069 . 19 1 1 A 91 91 ARG CB C 91 32.058 31.972 0.086 1
1 1072 . 19 1 1 A 91 91 ARG N N 91 121.045 123.498 -2.453 1
1 1073 . 19 1 1 A 92 92 LEU H H 92 8.485 9.520 -1.035 1
1 1074 . 19 1 1 A 92 92 LEU HA H 92 4.555 4.653 -0.098 1
1 1084 . 19 1 1 A 92 92 LEU C C 92 174.815 175.449 -0.634 1
1 1085 . 19 1 1 A 92 92 LEU CA C 92 53.629 53.475 0.154 1
1 1086 . 19 1 1 A 92 92 LEU CB C 92 44.066 42.485 1.581 1
1 1090 . 19 1 1 A 92 92 LEU N N 92 123.633 124.963 -1.330 1
1 1091 . 19 1 1 A 93 93 HIS H H 93 8.871 8.853 0.018 1
1 1092 . 19 1 1 A 93 93 HIS HA H 93 5.135 4.912 0.223 1
1 1097 . 19 1 1 A 93 93 HIS C C 93 173.251 175.445 -2.194 1
1 1098 . 19 1 1 A 93 93 HIS CA C 93 56.135 56.054 0.081 1
1 1099 . 19 1 1 A 93 93 HIS CB C 93 30.701 29.967 0.734 1
1 1101 . 19 1 1 A 93 93 HIS N N 93 124.492 124.036 0.456 1
1 1102 . 19 1 1 A 94 94 LEU H H 94 9.105 9.221 -0.116 1
1 1103 . 19 1 1 A 94 94 LEU HA H 94 5.940 5.552 0.388 1
1 1113 . 19 1 1 A 94 94 LEU C C 94 177.396 175.495 1.901 1
1 1114 . 19 1 1 A 94 94 LEU CA C 94 52.552 53.427 -0.875 1
1 1115 . 19 1 1 A 94 94 LEU CB C 94 45.465 46.561 -1.096 1
1 1119 . 19 1 1 A 94 94 LEU N N 94 122.911 125.137 -2.226 1
1 1120 . 19 1 1 A 95 95 CYS H H 95 8.953 8.614 0.339 1
1 1121 . 19 1 1 A 95 95 CYS HA H 95 4.863 5.172 -0.309 1
1 1124 . 19 1 1 A 95 95 CYS C C 95 172.585 173.161 -0.576 1
1 1125 . 19 1 1 A 95 95 CYS CA C 95 59.964 58.215 1.749 1
1 1126 . 19 1 1 A 95 95 CYS CB C 95 29.220 31.278 -2.058 1
1 1127 . 19 1 1 A 95 95 CYS N N 95 118.920 118.190 0.730 1
1 1128 . 19 1 1 A 96 96 ALA H H 96 9.465 8.700 0.765 1
1 1129 . 19 1 1 A 96 96 ALA HA H 96 5.035 4.793 0.242 1
1 1133 . 19 1 1 A 96 96 ALA C C 96 177.396 178.580 -1.184 1
1 1134 . 19 1 1 A 96 96 ALA CA C 96 50.205 50.057 0.148 1
1 1135 . 19 1 1 A 96 96 ALA CB C 96 21.571 21.395 0.176 1
1 1136 . 19 1 1 A 96 96 ALA N N 96 132.924 127.434 5.490 1
1 1137 . 19 1 1 A 97 97 GLU H H 97 9.636 8.953 0.683 1
1 1138 . 19 1 1 A 97 97 GLU HA H 97 4.344 4.324 0.020 1
1 1143 . 19 1 1 A 97 97 GLU C C 97 176.882 176.358 0.524 1
1 1144 . 19 1 1 A 97 97 GLU CA C 97 58.040 58.252 -0.212 1
1 1145 . 19 1 1 A 97 97 GLU CB C 97 30.207 30.407 -0.200 1
1 1147 . 19 1 1 A 97 97 GLU N N 97 116.636 117.551 -0.915 1
1 1148 . 19 1 1 A 98 98 THR H H 98 7.155 7.722 -0.567 1
1 1149 . 19 1 1 A 98 98 THR HA H 98 4.684 4.659 0.025 1
1 1154 . 19 1 1 A 98 98 THR C C 98 174.259 175.019 -0.760 1
1 1155 . 19 1 1 A 98 98 THR CA C 98 58.323 59.287 -0.964 1
1 1156 . 19 1 1 A 98 98 THR CB C 98 73.529 71.425 2.104 1
1 1158 . 19 1 1 A 98 98 THR N N 98 102.167 110.577 -8.410 1
1 1159 . 19 1 1 A 99 99 ARG H H 99 9.025 8.941 0.084 1
1 1160 . 19 1 1 A 99 99 ARG HA H 99 4.056 4.116 -0.060 1
1 1167 . 19 1 1 A 99 99 ARG C C 99 177.995 178.242 -0.247 1
1 1168 . 19 1 1 A 99 99 ARG CA C 99 59.029 58.969 0.060 1
1 1169 . 19 1 1 A 99 99 ARG CB C 99 30.208 30.040 0.168 1
1 1172 . 19 1 1 A 99 99 ARG N N 99 122.747 120.132 2.615 1
1 1173 . 19 1 1 A 100 100 ASP H H 100 8.387 8.254 0.133 1
1 1174 . 19 1 1 A 100 100 ASP HA H 100 4.306 4.280 0.026 1
1 1177 . 19 1 1 A 100 100 ASP C C 100 179.110 178.163 0.947 1
1 1178 . 19 1 1 A 100 100 ASP CA C 100 57.475 57.563 -0.088 1
1 1179 . 19 1 1 A 100 100 ASP CB C 100 40.201 41.831 -1.630 1
1 1180 . 19 1 1 A 100 100 ASP N N 100 116.422 119.674 -3.252 1
1 1181 . 19 1 1 A 101 101 ASP H H 101 8.046 7.822 0.224 1
1 1182 . 19 1 1 A 101 101 ASP HA H 101 4.576 4.352 0.224 1
1 1185 . 19 1 1 A 101 101 ASP C C 101 177.751 178.706 -0.955 1
1 1186 . 19 1 1 A 101 101 ASP CA C 101 57.229 57.313 -0.084 1
1 1187 . 19 1 1 A 101 101 ASP CB C 101 42.093 40.520 1.573 1
1 1188 . 19 1 1 A 101 101 ASP N N 101 120.742 118.725 2.017 1
1 1189 . 19 1 1 A 102 102 ALA H H 102 7.674 7.481 0.193 1
1 1190 . 19 1 1 A 102 102 ALA HA H 102 4.084 4.203 -0.119 1
1 1194 . 19 1 1 A 102 102 ALA C C 102 179.609 179.937 -0.328 1
1 1195 . 19 1 1 A 102 102 ALA CA C 102 56.364 55.257 1.107 1
1 1196 . 19 1 1 A 102 102 ALA CB C 102 17.952 18.344 -0.392 1
1 1197 . 19 1 1 A 102 102 ALA N N 102 122.523 121.730 0.793 1
1 1198 . 19 1 1 A 103 103 ILE H H 103 8.499 8.175 0.324 1
1 1199 . 19 1 1 A 103 103 ILE HA H 103 3.681 3.661 0.020 1
1 1209 . 19 1 1 A 103 103 ILE C C 103 178.622 177.742 0.880 1
1 1210 . 19 1 1 A 103 103 ILE CA C 103 64.182 65.557 -1.375 1
1 1211 . 19 1 1 A 103 103 ILE CB C 103 37.240 38.147 -0.907 1
1 1215 . 19 1 1 A 103 103 ILE N N 103 117.417 117.960 -0.543 1
1 1216 . 19 1 1 A 104 104 ALA H H 104 8.174 8.821 -0.647 1
1 1217 . 19 1 1 A 104 104 ALA HA H 104 4.095 4.008 0.087 1
1 1221 . 19 1 1 A 104 104 ALA C C 104 181.998 180.044 1.954 1
1 1222 . 19 1 1 A 104 104 ALA CA C 104 55.517 55.167 0.350 1
1 1223 . 19 1 1 A 104 104 ALA CB C 104 17.294 18.530 -1.236 1
1 1224 . 19 1 1 A 104 104 ALA N N 104 124.916 121.707 3.209 1
1 1225 . 19 1 1 A 105 105 TRP H H 105 8.365 8.085 0.280 1
1 1226 . 19 1 1 A 105 105 TRP HA H 105 4.025 4.464 -0.439 1
1 1235 . 19 1 1 A 105 105 TRP C C 105 177.969 178.763 -0.794 1
1 1236 . 19 1 1 A 105 105 TRP CA C 105 62.011 59.849 2.162 1
1 1237 . 19 1 1 A 105 105 TRP CB C 105 29.179 28.810 0.369 1
1 1243 . 19 1 1 A 105 105 TRP N N 105 119.726 118.370 1.356 1
1 1245 . 19 1 1 A 106 106 LYS H H 106 8.746 7.993 0.753 1
1 1246 . 19 1 1 A 106 106 LYS HA H 106 3.805 4.130 -0.325 1
1 1255 . 19 1 1 A 106 106 LYS C C 106 177.626 179.005 -1.379 1
1 1256 . 19 1 1 A 106 106 LYS CA C 106 60.865 59.236 1.629 1
1 1257 . 19 1 1 A 106 106 LYS CB C 106 31.606 32.178 -0.572 1
1 1261 . 19 1 1 A 106 106 LYS N N 106 120.565 120.392 0.173 1
1 1262 . 19 1 1 A 107 107 THR H H 107 8.714 7.993 0.721 1
1 1263 . 19 1 1 A 107 107 THR HA H 107 3.774 3.870 -0.096 1
1 1268 . 19 1 1 A 107 107 THR C C 107 176.238 176.152 0.086 1
1 1269 . 19 1 1 A 107 107 THR CA C 107 66.688 66.786 -0.098 1
1 1270 . 19 1 1 A 107 107 THR CB C 107 69.065 68.628 0.437 1
1 1272 . 19 1 1 A 107 107 THR N N 107 115.018 119.065 -4.047 1
1 1273 . 19 1 1 A 108 108 ALA H H 108 7.769 8.106 -0.337 1
1 1274 . 19 1 1 A 108 108 ALA HA H 108 4.094 4.085 0.009 1
1 1278 . 19 1 1 A 108 108 ALA C C 108 180.611 179.733 0.878 1
1 1279 . 19 1 1 A 108 108 ALA CA C 108 55.005 54.775 0.230 1
1 1280 . 19 1 1 A 108 108 ALA CB C 108 18.015 18.047 -0.032 1
1 1281 . 19 1 1 A 108 108 ALA N N 108 123.150 123.593 -0.443 1
1 1282 . 19 1 1 A 109 109 LEU H H 109 8.795 7.918 0.877 1
1 1283 . 19 1 1 A 109 109 LEU HA H 109 4.045 4.139 -0.094 1
1 1293 . 19 1 1 A 109 109 LEU C C 109 178.758 178.953 -0.195 1
1 1294 . 19 1 1 A 109 109 LEU CA C 109 58.093 57.873 0.220 1
1 1295 . 19 1 1 A 109 109 LEU CB C 109 42.298 42.177 0.121 1
1 1299 . 19 1 1 A 109 109 LEU N N 109 118.714 119.948 -1.234 1
1 1300 . 19 1 1 A 110 110 MET H H 110 8.582 8.500 0.082 1
1 1301 . 19 1 1 A 110 110 MET HA H 110 4.404 4.044 0.360 1
1 1309 . 19 1 1 A 110 110 MET C C 110 180.290 178.878 1.412 1
1 1310 . 19 1 1 A 110 110 MET CA C 110 56.876 59.020 -2.144 1
1 1311 . 19 1 1 A 110 110 MET CB C 110 30.002 32.658 -2.656 1
1 1314 . 19 1 1 A 110 110 MET N N 110 117.122 116.346 0.776 1
1 1315 . 19 1 1 A 111 111 GLU H H 111 8.062 7.880 0.182 1
1 1316 . 19 1 1 A 111 111 GLU HA H 111 4.126 4.034 0.092 1
1 1321 . 19 1 1 A 111 111 GLU C C 111 179.237 178.668 0.569 1
1 1322 . 19 1 1 A 111 111 GLU CA C 111 59.435 58.944 0.491 1
1 1323 . 19 1 1 A 111 111 GLU CB C 111 29.015 29.412 -0.397 1
1 1325 . 19 1 1 A 111 111 GLU N N 111 121.532 118.703 2.829 1
1 1326 . 19 1 1 A 112 112 ALA H H 112 7.975 8.051 -0.076 1
1 1327 . 19 1 1 A 112 112 ALA HA H 112 4.265 4.064 0.201 1
1 1331 . 19 1 1 A 112 112 ALA C C 112 179.608 179.481 0.127 1
1 1332 . 19 1 1 A 112 112 ALA CA C 112 54.158 54.995 -0.837 1
1 1333 . 19 1 1 A 112 112 ALA CB C 112 19.530 18.570 0.960 1
1 1334 . 19 1 1 A 112 112 ALA N N 112 121.838 122.536 -0.698 1
1 1335 . 19 1 1 A 113 113 ASN H H 113 8.115 8.619 -0.504 1
1 1336 . 19 1 1 A 113 113 ASN HA H 113 4.822 4.805 0.017 1
1 1341 . 19 1 1 A 113 113 ASN C C 113 176.296 175.903 0.393 1
1 1342 . 19 1 1 A 113 113 ASN CA C 113 56.311 56.197 0.114 1
1 1343 . 19 1 1 A 113 113 ASN CB C 113 40.283 38.812 1.471 1
1 1344 . 19 1 1 A 113 113 ASN N N 113 115.563 117.182 -1.619 1
1 1346 . 19 1 1 A 114 114 SER H H 114 7.365 7.949 -0.584 1
1 1347 . 19 1 1 A 114 114 SER HA H 114 4.545 3.994 0.551 1
1 1350 . 19 1 1 A 114 114 SER C C 114 174.126 172.151 1.975 1
1 1351 . 19 1 1 A 114 114 SER CA C 114 58.464 56.701 1.763 1
1 1352 . 19 1 1 A 114 114 SER CB C 114 64.400 63.796 0.604 1
1 1353 . 19 1 1 A 114 114 SER N N 114 108.652 113.058 -4.406 1
1 1354 . 19 1 1 A 115 115 THR H H 115 7.849 6.852 0.997 1
1 1355 . 19 1 1 A 115 115 THR HA H 115 4.599 4.818 -0.219 1
1 1360 . 19 1 1 A 115 115 THR C C 115 172.337 172.257 0.080 1
1 1361 . 19 1 1 A 115 115 THR CA C 115 60.817 59.096 1.721 1
1 1362 . 19 1 1 A 115 115 THR CB C 115 70.016 71.659 -1.643 1
1 1364 . 19 1 1 A 115 115 THR N N 115 118.885 117.615 1.270 1
1 1365 . 19 1 1 A 116 116 PRO HA H 116 4.404 4.473 -0.069 1
1 1372 . 19 1 1 A 116 116 PRO CA C 116 63.007 62.753 0.254 1
1 1373 . 19 1 1 A 116 116 PRO CB C 116 32.346 32.716 -0.370 1
1 1376 . 19 1 1 A 117 117 ALA H H 117 8.429 8.518 -0.089 1
1 1377 . 19 1 1 A 117 117 ALA HA H 117 4.535 3.874 0.661 1
1 1381 . 19 1 1 A 117 117 ALA CA C 117 50.359 52.951 -2.592 1
1 1382 . 19 1 1 A 117 117 ALA CB C 117 18.069 17.225 0.844 1
1 1383 . 19 1 1 A 117 117 ALA N N 117 125.693 119.432 6.261 1
1 1384 . 19 1 1 A 118 118 PRO HA H 118 4.377 4.512 -0.135 1
1 1391 . 19 1 1 A 118 118 PRO C C 118 176.656 176.541 0.115 1
1 1392 . 19 1 1 A 118 118 PRO CA C 118 63.105 63.836 -0.731 1
1 1393 . 19 1 1 A 118 118 PRO CB C 118 31.935 31.812 0.123 1
1 1396 . 19 1 1 A 119 119 ALA H H 119 8.430 7.599 0.831 1
1 1397 . 19 1 1 A 119 119 ALA HA H 119 4.255 4.155 0.100 1
1 1401 . 19 1 1 A 119 119 ALA C C 119 178.416 177.186 1.230 1
1 1402 . 19 1 1 A 119 119 ALA CA C 119 52.744 53.349 -0.605 1
1 1403 . 19 1 1 A 119 119 ALA CB C 119 19.186 19.830 -0.644 1
1 1404 . 19 1 1 A 119 119 ALA N N 119 124.565 123.229 1.336 1
1 1405 . 19 1 1 A 120 120 GLY H H 120 8.375 8.351 0.024 1
1 1406 . 19 1 1 A 120 120 GLY HA2 H 120 3.934 4.188 -0.254 1
1 1407 . 19 1 1 A 120 120 GLY HA3 H 120 3.934 4.195 -0.261 1
1 1408 . 19 1 1 A 120 120 GLY C C 120 173.810 173.957 -0.147 1
1 1409 . 19 1 1 A 120 120 GLY CA C 120 45.176 45.634 -0.458 1
1 1410 . 19 1 1 A 120 120 GLY N N 120 108.353 106.715 1.638 1
1 1411 . 19 1 1 A 121 121 ALA H H 121 8.116 8.363 -0.247 1
1 1412 . 19 1 1 A 121 121 ALA HA H 121 4.379 3.924 0.455 1
1 1416 . 19 1 1 A 121 121 ALA C C 121 177.908 175.769 2.139 1
1 1417 . 19 1 1 A 121 121 ALA CA C 121 52.446 53.251 -0.805 1
1 1418 . 19 1 1 A 121 121 ALA CB C 121 19.433 17.541 1.892 1
1 1419 . 19 1 1 A 121 121 ALA N N 121 123.561 124.302 -0.741 1
1 1420 . 19 1 1 A 122 122 THR H H 122 8.212 7.733 0.479 1
1 1421 . 19 1 1 A 122 122 THR C C 122 174.317 172.762 1.555 1
1 1422 . 19 1 1 A 122 122 THR CA C 122 61.888 59.799 2.089 1
1 1423 . 19 1 1 A 122 122 THR CB C 122 69.648 71.359 -1.711 1
1 1425 . 19 1 1 A 122 122 THR N N 122 114.319 109.480 4.839 1
1 1426 . 19 1 1 A 123 123 VAL H H 123 8.222 8.348 -0.126 1
1 1427 . 19 1 1 A 123 123 VAL HA H 123 4.455 4.293 0.162 1
1 1435 . 19 1 1 A 123 123 VAL C C 123 174.373 175.164 -0.791 1
1 1436 . 19 1 1 A 123 123 VAL CA C 123 59.717 60.891 -1.174 1
1 1437 . 19 1 1 A 123 123 VAL CB C 123 32.593 31.590 1.003 1
1 1440 . 19 1 1 A 123 123 VAL N N 123 124.311 123.443 0.868 1
1 1441 . 19 1 1 A 124 124 PRO HA H 124 4.403 4.786 -0.383 1
1 1446 . 19 1 1 A 124 124 PRO C C 124 176.873 175.781 1.092 1
1 1447 . 19 1 1 A 124 124 PRO CA C 124 63.211 62.679 0.532 1
1 1448 . 19 1 1 A 124 124 PRO CB C 124 32.017 31.616 0.401 1
1 1451 . 19 1 1 A 125 125 SER H H 125 8.426 8.729 -0.303 1
1 1452 . 19 1 1 A 125 125 SER HA H 125 4.448 4.927 -0.479 1
1 1455 . 19 1 1 A 125 125 SER C C 125 174.598 173.181 1.417 1
1 1456 . 19 1 1 A 125 125 SER CA C 125 58.341 57.791 0.550 1
1 1457 . 19 1 1 A 125 125 SER CB C 125 64.054 67.198 -3.144 1
1 1458 . 19 1 1 A 125 125 SER N N 125 116.463 118.453 -1.990 1
1 1459 . 19 1 1 A 126 126 GLY H H 126 8.233 8.432 -0.199 1
1 1460 . 19 1 1 A 126 126 GLY C C 126 171.756 171.915 -0.159 1
1 1461 . 19 1 1 A 126 126 GLY CA C 126 44.611 45.112 -0.501 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.445 4.162 0.283 1
1 4 . 20 1 1 A 6 6 SER C C 6 174.707 174.814 -0.107 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.482 59.928 -1.446 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.848 63.958 -0.110 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.494 8.141 0.353 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 4.105 4.116 -0.011 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 4.105 4.129 -0.024 1
1 10 . 20 1 1 A 7 7 GLY C C 7 172.961 174.306 -1.345 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.864 45.361 0.503 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.325 108.793 1.532 1
1 13 . 20 1 1 A 8 8 LEU H H 8 8.295 7.906 0.389 1
1 14 . 20 1 1 A 8 8 LEU HA H 8 4.268 4.986 -0.718 1
1 24 . 20 1 1 A 8 8 LEU C C 8 176.773 176.188 0.585 1
1 25 . 20 1 1 A 8 8 LEU CA C 8 55.587 53.939 1.648 1
1 26 . 20 1 1 A 8 8 LEU CB C 8 43.367 43.851 -0.484 1
1 30 . 20 1 1 A 8 8 LEU N N 8 123.800 123.004 0.796 1
1 31 . 20 1 1 A 9 9 VAL H H 9 9.290 9.182 0.108 1
1 32 . 20 1 1 A 9 9 VAL HA H 9 3.826 3.978 -0.152 1
1 40 . 20 1 1 A 9 9 VAL C C 9 176.540 175.756 0.784 1
1 41 . 20 1 1 A 9 9 VAL CA C 9 64.888 64.257 0.631 1
1 42 . 20 1 1 A 9 9 VAL CB C 9 32.264 32.474 -0.210 1
1 45 . 20 1 1 A 9 9 VAL N N 9 129.415 126.871 2.544 1
1 46 . 20 1 1 A 10 10 ARG H H 10 7.135 7.395 -0.260 1
1 47 . 20 1 1 A 10 10 ARG HA H 10 4.126 4.614 -0.488 1
1 55 . 20 1 1 A 10 10 ARG C C 10 171.942 174.537 -2.595 1
1 56 . 20 1 1 A 10 10 ARG CA C 10 55.800 55.256 0.544 1
1 57 . 20 1 1 A 10 10 ARG CB C 10 32.223 33.717 -1.494 1
1 60 . 20 1 1 A 10 10 ARG N N 10 117.246 116.885 0.361 1
1 62 . 20 1 1 A 11 11 GLY H H 11 8.390 8.314 0.076 1
1 63 . 20 1 1 A 11 11 GLY HA2 H 11 3.204 3.691 -0.487 1
1 64 . 20 1 1 A 11 11 GLY HA3 H 11 5.336 3.795 1.541 1
1 65 . 20 1 1 A 11 11 GLY C C 11 172.895 172.620 0.275 1
1 66 . 20 1 1 A 11 11 GLY CA C 11 43.481 44.378 -0.897 1
1 67 . 20 1 1 A 11 11 GLY N N 11 113.527 110.247 3.280 1
1 68 . 20 1 1 A 12 12 GLY H H 12 7.935 6.793 1.142 1
1 69 . 20 1 1 A 12 12 GLY C C 12 171.502 172.927 -1.425 1
1 70 . 20 1 1 A 12 12 GLY CA C 12 46.093 45.004 1.089 1
1 71 . 20 1 1 A 13 13 TRP H H 13 8.904 8.938 -0.034 1
1 72 . 20 1 1 A 13 13 TRP HA H 13 5.205 5.069 0.136 1
1 81 . 20 1 1 A 13 13 TRP C C 13 177.926 176.201 1.725 1
1 82 . 20 1 1 A 13 13 TRP CA C 13 57.846 57.976 -0.130 1
1 83 . 20 1 1 A 13 13 TRP CB C 13 30.290 30.908 -0.618 1
1 89 . 20 1 1 A 13 13 TRP N N 13 121.758 123.362 -1.604 1
1 91 . 20 1 1 A 14 14 LEU H H 14 9.295 8.854 0.441 1
1 92 . 20 1 1 A 14 14 LEU HA H 14 4.683 4.741 -0.058 1
1 102 . 20 1 1 A 14 14 LEU C C 14 175.828 176.178 -0.350 1
1 103 . 20 1 1 A 14 14 LEU CA C 14 54.670 53.632 1.038 1
1 104 . 20 1 1 A 14 14 LEU CB C 14 47.562 45.630 1.932 1
1 108 . 20 1 1 A 14 14 LEU N N 14 123.447 122.655 0.792 1
1 109 . 20 1 1 A 15 15 TRP H H 15 8.655 8.982 -0.327 1
1 110 . 20 1 1 A 15 15 TRP HA H 15 5.315 5.279 0.036 1
1 119 . 20 1 1 A 15 15 TRP C C 15 175.899 175.913 -0.014 1
1 120 . 20 1 1 A 15 15 TRP CA C 15 57.159 57.812 -0.653 1
1 121 . 20 1 1 A 15 15 TRP CB C 15 30.759 29.941 0.818 1
1 127 . 20 1 1 A 15 15 TRP N N 15 119.571 124.865 -5.294 1
1 129 . 20 1 1 A 16 16 ARG H H 16 10.145 9.432 0.713 1
1 130 . 20 1 1 A 16 16 ARG HA H 16 5.495 5.456 0.039 1
1 138 . 20 1 1 A 16 16 ARG C C 16 174.930 174.559 0.371 1
1 139 . 20 1 1 A 16 16 ARG CA C 16 54.334 54.310 0.024 1
1 140 . 20 1 1 A 16 16 ARG CB C 16 34.808 32.885 1.923 1
1 143 . 20 1 1 A 16 16 ARG N N 16 121.997 125.975 -3.978 1
1 145 . 20 1 1 A 17 17 GLN H H 17 8.233 8.370 -0.137 1
1 146 . 20 1 1 A 17 17 GLN HA H 17 3.797 4.761 -0.964 1
1 153 . 20 1 1 A 17 17 GLN C C 17 175.654 175.448 0.206 1
1 154 . 20 1 1 A 17 17 GLN CA C 17 55.446 53.864 1.582 1
1 155 . 20 1 1 A 17 17 GLN CB C 17 29.056 30.619 -1.563 1
1 157 . 20 1 1 A 17 17 GLN N N 17 128.414 127.238 1.176 1
1 159 . 20 1 1 A 18 18 SER H H 18 8.635 8.426 0.209 1
1 160 . 20 1 1 A 18 18 SER HA H 18 4.575 4.647 -0.072 1
1 163 . 20 1 1 A 18 18 SER C C 18 175.585 174.506 1.079 1
1 164 . 20 1 1 A 18 18 SER CA C 18 57.246 57.236 0.010 1
1 165 . 20 1 1 A 18 18 SER CB C 18 64.012 64.457 -0.445 1
1 166 . 20 1 1 A 18 18 SER N N 18 122.600 122.306 0.294 1
1 167 . 20 1 1 A 20 20 ILE H H 20 7.976 7.877 0.099 1
1 168 . 20 1 1 A 20 20 ILE HA H 20 4.036 3.850 0.186 1
1 178 . 20 1 1 A 20 20 ILE C C 20 176.929 178.078 -1.149 1
1 179 . 20 1 1 A 20 20 ILE CA C 20 62.929 64.283 -1.354 1
1 180 . 20 1 1 A 20 20 ILE CB C 20 37.912 38.377 -0.465 1
1 184 . 20 1 1 A 20 20 ILE N N 20 120.700 120.839 -0.139 1
1 185 . 20 1 1 A 21 21 LEU H H 21 8.089 7.751 0.338 1
1 186 . 20 1 1 A 21 21 LEU HA H 21 4.159 4.223 -0.064 1
1 196 . 20 1 1 A 21 21 LEU C C 21 176.455 176.670 -0.215 1
1 197 . 20 1 1 A 21 21 LEU CA C 21 55.287 56.914 -1.627 1
1 198 . 20 1 1 A 21 21 LEU CB C 21 42.051 42.369 -0.318 1
1 202 . 20 1 1 A 21 21 LEU N N 21 119.540 121.539 -1.999 1
1 203 . 20 1 1 A 22 22 ARG H H 22 7.687 7.962 -0.275 1
1 204 . 20 1 1 A 22 22 ARG HA H 22 3.806 4.203 -0.397 1
1 211 . 20 1 1 A 22 22 ARG C C 22 175.087 175.112 -0.025 1
1 212 . 20 1 1 A 22 22 ARG CA C 22 56.788 56.837 -0.049 1
1 213 . 20 1 1 A 22 22 ARG CB C 22 27.130 28.036 -0.906 1
1 216 . 20 1 1 A 22 22 ARG N N 22 114.383 116.992 -2.609 1
1 217 . 20 1 1 A 23 23 ARG H H 23 7.392 7.605 -0.213 1
1 218 . 20 1 1 A 23 23 ARG HA H 23 4.603 4.775 -0.172 1
1 225 . 20 1 1 A 23 23 ARG C C 23 176.112 174.261 1.851 1
1 226 . 20 1 1 A 23 23 ARG CA C 23 54.846 54.657 0.189 1
1 227 . 20 1 1 A 23 23 ARG CB C 23 32.387 33.858 -1.471 1
1 230 . 20 1 1 A 23 23 ARG N N 23 115.846 119.545 -3.699 1
1 231 . 20 1 1 A 24 24 TRP H H 24 9.013 8.773 0.240 1
1 232 . 20 1 1 A 24 24 TRP HA H 24 5.154 5.402 -0.248 1
1 241 . 20 1 1 A 24 24 TRP C C 24 176.347 176.696 -0.349 1
1 242 . 20 1 1 A 24 24 TRP CA C 24 57.546 57.824 -0.278 1
1 243 . 20 1 1 A 24 24 TRP CB C 24 31.112 30.939 0.173 1
1 249 . 20 1 1 A 24 24 TRP N N 24 123.861 124.946 -1.085 1
1 251 . 20 1 1 A 25 25 LYS H H 25 9.553 9.774 -0.221 1
1 252 . 20 1 1 A 25 25 LYS HA H 25 4.992 5.457 -0.465 1
1 261 . 20 1 1 A 25 25 LYS C C 25 173.887 175.207 -1.320 1
1 262 . 20 1 1 A 25 25 LYS CA C 25 55.023 54.673 0.350 1
1 263 . 20 1 1 A 25 25 LYS CB C 25 35.965 36.320 -0.355 1
1 267 . 20 1 1 A 25 25 LYS N N 25 123.241 120.651 2.590 1
1 268 . 20 1 1 A 26 26 ARG H H 26 8.705 8.575 0.130 1
1 269 . 20 1 1 A 26 26 ARG HA H 26 4.494 4.275 0.219 1
1 276 . 20 1 1 A 26 26 ARG C C 26 175.755 176.178 -0.423 1
1 277 . 20 1 1 A 26 26 ARG CA C 26 56.046 55.958 0.088 1
1 278 . 20 1 1 A 26 26 ARG CB C 26 30.783 30.329 0.454 1
1 281 . 20 1 1 A 26 26 ARG N N 26 124.843 122.584 2.259 1
1 282 . 20 1 1 A 27 27 ASN H H 27 9.100 8.587 0.513 1
1 283 . 20 1 1 A 27 27 ASN HA H 27 5.235 5.231 0.004 1
1 288 . 20 1 1 A 27 27 ASN CA C 27 54.041 51.987 2.054 1
1 289 . 20 1 1 A 27 27 ASN CB C 27 46.737 43.079 3.658 1
1 290 . 20 1 1 A 27 27 ASN N N 27 123.044 121.476 1.568 1
1 292 . 20 1 1 A 28 28 TRP H H 28 7.835 8.194 -0.359 1
1 293 . 20 1 1 A 28 28 TRP HA H 28 4.105 4.679 -0.574 1
1 299 . 20 1 1 A 28 28 TRP N N 28 122.540 125.319 -2.779 1
1 300 . 20 1 1 A 29 29 PHE H H 29 8.755 8.751 0.004 1
1 301 . 20 1 1 A 29 29 PHE HA H 29 5.001 4.808 0.193 1
1 309 . 20 1 1 A 29 29 PHE CA C 29 56.692 57.454 -0.762 1
1 310 . 20 1 1 A 29 29 PHE CB C 29 42.284 39.054 3.230 1
1 316 . 20 1 1 A 29 29 PHE N N 29 129.716 126.770 2.946 1
1 317 . 20 1 1 A 30 30 ALA H H 30 8.695 8.650 0.045 1
1 321 . 20 1 1 A 30 30 ALA C C 30 173.958 174.837 -0.879 1
1 322 . 20 1 1 A 30 30 ALA CA C 30 50.611 49.861 0.750 1
1 323 . 20 1 1 A 30 30 ALA CB C 30 22.570 21.183 1.387 1
1 324 . 20 1 1 A 31 31 LEU H H 31 8.815 8.081 0.734 1
1 325 . 20 1 1 A 31 31 LEU HA H 31 5.003 4.619 0.384 1
1 335 . 20 1 1 A 31 31 LEU C C 31 174.414 174.220 0.194 1
1 336 . 20 1 1 A 31 31 LEU CA C 31 53.240 53.536 -0.296 1
1 337 . 20 1 1 A 31 31 LEU CB C 31 44.783 44.628 0.155 1
1 341 . 20 1 1 A 31 31 LEU N N 31 124.610 124.751 -0.141 1
1 342 . 20 1 1 A 32 32 TRP H H 32 9.045 8.688 0.357 1
1 343 . 20 1 1 A 32 32 TRP HA H 32 5.499 5.391 0.108 1
1 352 . 20 1 1 A 32 32 TRP C C 32 178.871 177.059 1.812 1
1 353 . 20 1 1 A 32 32 TRP CA C 32 55.552 55.830 -0.278 1
1 354 . 20 1 1 A 32 32 TRP CB C 32 32.346 31.845 0.501 1
1 360 . 20 1 1 A 32 32 TRP N N 32 128.500 127.102 1.398 1
1 362 . 20 1 1 A 33 33 LEU H H 33 9.246 9.356 -0.110 1
1 363 . 20 1 1 A 33 33 LEU HA H 33 4.075 4.075 0.000 1
1 373 . 20 1 1 A 33 33 LEU C C 33 176.859 178.449 -1.590 1
1 374 . 20 1 1 A 33 33 LEU CA C 33 57.035 57.596 -0.561 1
1 375 . 20 1 1 A 33 33 LEU CB C 33 42.651 41.471 1.180 1
1 379 . 20 1 1 A 33 33 LEU N N 33 123.838 126.017 -2.179 1
1 380 . 20 1 1 A 34 34 ASP H H 34 7.536 7.958 -0.422 1
1 381 . 20 1 1 A 34 34 ASP HA H 34 4.395 4.529 -0.134 1
1 384 . 20 1 1 A 34 34 ASP C C 34 177.113 176.616 0.497 1
1 385 . 20 1 1 A 34 34 ASP CA C 34 53.805 54.348 -0.543 1
1 386 . 20 1 1 A 34 34 ASP CB C 34 39.625 41.086 -1.461 1
1 387 . 20 1 1 A 34 34 ASP N N 34 115.948 116.550 -0.602 1
1 388 . 20 1 1 A 35 35 GLY H H 35 8.264 9.049 -0.785 1
1 389 . 20 1 1 A 35 35 GLY HA2 H 35 4.205 3.970 0.235 1
1 390 . 20 1 1 A 35 35 GLY HA3 H 35 3.895 3.978 -0.083 1
1 391 . 20 1 1 A 35 35 GLY C C 35 173.898 173.903 -0.005 1
1 392 . 20 1 1 A 35 35 GLY CA C 35 46.216 46.497 -0.281 1
1 393 . 20 1 1 A 35 35 GLY N N 35 106.508 108.611 -2.103 1
1 394 . 20 1 1 A 36 36 THR H H 36 8.035 7.190 0.845 1
1 395 . 20 1 1 A 36 36 THR HA H 36 5.123 5.091 0.032 1
1 400 . 20 1 1 A 36 36 THR C C 36 170.669 173.054 -2.385 1
1 401 . 20 1 1 A 36 36 THR CA C 36 60.588 59.458 1.130 1
1 402 . 20 1 1 A 36 36 THR CB C 36 72.314 72.877 -0.563 1
1 404 . 20 1 1 A 36 36 THR N N 36 112.047 109.884 2.163 1
1 405 . 20 1 1 A 37 37 LEU H H 37 9.344 9.265 0.079 1
1 406 . 20 1 1 A 37 37 LEU HA H 37 5.616 4.996 0.620 1
1 416 . 20 1 1 A 37 37 LEU C C 37 175.787 174.797 0.990 1
1 417 . 20 1 1 A 37 37 LEU CA C 37 52.799 53.860 -1.061 1
1 418 . 20 1 1 A 37 37 LEU CB C 37 46.698 44.910 1.788 1
1 422 . 20 1 1 A 37 37 LEU N N 37 122.915 123.876 -0.961 1
1 423 . 20 1 1 A 38 38 GLY H H 38 9.685 8.737 0.948 1
1 424 . 20 1 1 A 38 38 GLY HA2 H 38 5.074 4.002 1.072 1
1 425 . 20 1 1 A 38 38 GLY HA3 H 38 3.825 4.309 -0.484 1
1 426 . 20 1 1 A 38 38 GLY C C 38 172.258 172.408 -0.150 1
1 427 . 20 1 1 A 38 38 GLY CA C 38 43.676 44.177 -0.501 1
1 428 . 20 1 1 A 38 38 GLY N N 38 113.092 114.080 -0.988 1
1 429 . 20 1 1 A 39 39 TYR H H 39 7.362 7.873 -0.511 1
1 430 . 20 1 1 A 39 39 TYR HA H 39 5.251 5.709 -0.458 1
1 437 . 20 1 1 A 39 39 TYR C C 39 175.367 174.391 0.976 1
1 438 . 20 1 1 A 39 39 TYR CA C 39 54.282 55.463 -1.181 1
1 439 . 20 1 1 A 39 39 TYR CB C 39 37.774 40.506 -2.732 1
1 444 . 20 1 1 A 39 39 TYR N N 39 113.951 119.747 -5.796 1
1 445 . 20 1 1 A 40 40 TYR H H 40 9.315 8.725 0.590 1
1 446 . 20 1 1 A 40 40 TYR HA H 40 5.305 5.033 0.272 1
1 453 . 20 1 1 A 40 40 TYR C C 40 177.694 176.590 1.104 1
1 454 . 20 1 1 A 40 40 TYR CA C 40 57.185 57.165 0.020 1
1 455 . 20 1 1 A 40 40 TYR CB C 40 43.779 41.831 1.948 1
1 460 . 20 1 1 A 40 40 TYR N N 40 117.930 120.662 -2.732 1
1 461 . 20 1 1 A 41 41 HIS H H 41 8.658 8.732 -0.074 1
1 462 . 20 1 1 A 41 41 HIS HA H 41 4.654 4.259 0.395 1
1 467 . 20 1 1 A 41 41 HIS C C 41 174.858 175.203 -0.345 1
1 468 . 20 1 1 A 41 41 HIS CA C 41 59.159 59.555 -0.396 1
1 469 . 20 1 1 A 41 41 HIS CB C 41 31.094 29.956 1.138 1
1 472 . 20 1 1 A 41 41 HIS N N 41 121.927 121.452 0.475 1
1 473 . 20 1 1 A 42 42 ASP H H 42 8.095 8.063 0.032 1
1 474 . 20 1 1 A 42 42 ASP HA H 42 4.795 4.891 -0.096 1
1 477 . 20 1 1 A 42 42 ASP C C 42 175.052 176.420 -1.368 1
1 478 . 20 1 1 A 42 42 ASP CA C 42 53.155 52.109 1.046 1
1 479 . 20 1 1 A 42 42 ASP CB C 42 41.860 42.839 -0.979 1
1 480 . 20 1 1 A 42 42 ASP N N 42 112.020 115.306 -3.286 1
1 481 . 20 1 1 A 43 43 GLU H H 43 8.899 8.575 0.324 1
1 482 . 20 1 1 A 43 43 GLU C C 43 176.336 176.952 -0.616 1
1 483 . 20 1 1 A 43 43 GLU CA C 43 57.021 59.480 -2.459 1
1 484 . 20 1 1 A 43 43 GLU CB C 43 27.493 28.980 -1.487 1
1 485 . 20 1 1 A 43 43 GLU N N 43 116.402 118.420 -2.018 1
1 486 . 20 1 1 A 44 44 THR H H 44 8.093 7.593 0.500 1
1 487 . 20 1 1 A 44 44 THR HA H 44 3.915 4.321 -0.406 1
1 492 . 20 1 1 A 44 44 THR CA C 44 63.143 61.574 1.569 1
1 493 . 20 1 1 A 44 44 THR CB C 44 69.620 68.859 0.761 1
1 495 . 20 1 1 A 44 44 THR N N 44 111.376 111.503 -0.127 1
1 496 . 20 1 1 A 45 45 ALA H H 45 7.815 8.457 -0.642 1
1 497 . 20 1 1 A 45 45 ALA HA H 45 3.430 3.933 -0.503 1
1 501 . 20 1 1 A 45 45 ALA C C 45 175.091 176.480 -1.389 1
1 502 . 20 1 1 A 45 45 ALA CA C 45 53.434 51.540 1.894 1
1 503 . 20 1 1 A 45 45 ALA CB C 45 15.567 17.873 -2.306 1
1 504 . 20 1 1 A 46 46 GLN H H 46 7.869 8.510 -0.641 1
1 505 . 20 1 1 A 46 46 GLN HA H 46 4.238 4.652 -0.414 1
1 512 . 20 1 1 A 46 46 GLN C C 46 176.190 175.548 0.642 1
1 513 . 20 1 1 A 46 46 GLN CA C 46 56.929 56.744 0.185 1
1 514 . 20 1 1 A 46 46 GLN CB C 46 30.454 31.020 -0.566 1
1 516 . 20 1 1 A 46 46 GLN N N 46 115.953 123.411 -7.458 1
1 518 . 20 1 1 A 47 47 ASP H H 47 8.326 8.297 0.029 1
1 519 . 20 1 1 A 47 47 ASP HA H 47 4.954 4.825 0.129 1
1 522 . 20 1 1 A 47 47 ASP C C 47 173.846 174.633 -0.787 1
1 523 . 20 1 1 A 47 47 ASP CA C 47 52.993 52.849 0.144 1
1 524 . 20 1 1 A 47 47 ASP CB C 47 41.558 40.662 0.896 1
1 525 . 20 1 1 A 47 47 ASP N N 47 119.830 119.930 -0.100 1
1 526 . 20 1 1 A 48 48 GLU H H 48 8.756 8.750 0.006 1
1 527 . 20 1 1 A 48 48 GLU HA H 48 3.785 3.828 -0.043 1
1 532 . 20 1 1 A 48 48 GLU C C 48 175.892 176.633 -0.741 1
1 533 . 20 1 1 A 48 48 GLU CA C 48 56.470 55.848 0.622 1
1 534 . 20 1 1 A 48 48 GLU CB C 48 32.264 29.996 2.268 1
1 536 . 20 1 1 A 48 48 GLU N N 48 125.923 125.812 0.111 1
1 537 . 20 1 1 A 49 49 GLU H H 49 8.945 8.490 0.455 1
1 538 . 20 1 1 A 49 49 GLU HA H 49 4.164 4.062 0.102 1
1 543 . 20 1 1 A 49 49 GLU C C 49 176.040 175.936 0.104 1
1 544 . 20 1 1 A 49 49 GLU CA C 49 58.447 58.469 -0.022 1
1 545 . 20 1 1 A 49 49 GLU CB C 49 30.207 30.573 -0.366 1
1 547 . 20 1 1 A 49 49 GLU N N 49 129.751 126.645 3.106 1
1 548 . 20 1 1 A 50 50 ASP H H 50 6.736 6.996 -0.260 1
1 549 . 20 1 1 A 50 50 ASP HA H 50 4.355 4.772 -0.417 1
1 552 . 20 1 1 A 50 50 ASP C C 50 172.562 173.319 -0.757 1
1 553 . 20 1 1 A 50 50 ASP CA C 50 52.729 53.304 -0.575 1
1 554 . 20 1 1 A 50 50 ASP CB C 50 43.737 43.892 -0.155 1
1 555 . 20 1 1 A 50 50 ASP N N 50 113.574 114.621 -1.047 1
1 556 . 20 1 1 A 51 51 ARG H H 51 8.532 8.574 -0.042 1
1 557 . 20 1 1 A 51 51 ARG HA H 51 5.005 4.964 0.041 1
1 565 . 20 1 1 A 51 51 ARG C C 51 174.656 174.498 0.158 1
1 566 . 20 1 1 A 51 51 ARG CA C 51 55.605 55.457 0.148 1
1 567 . 20 1 1 A 51 51 ARG CB C 51 33.520 34.108 -0.588 1
1 570 . 20 1 1 A 51 51 ARG N N 51 117.888 123.051 -5.163 1
1 572 . 20 1 1 A 52 52 VAL H H 52 9.155 9.224 -0.069 1
1 573 . 20 1 1 A 52 52 VAL HA H 52 4.616 4.932 -0.316 1
1 581 . 20 1 1 A 52 52 VAL C C 52 174.710 175.275 -0.565 1
1 582 . 20 1 1 A 52 52 VAL CA C 52 59.382 59.824 -0.442 1
1 583 . 20 1 1 A 52 52 VAL CB C 52 35.266 34.527 0.739 1
1 586 . 20 1 1 A 52 52 VAL N N 52 121.629 121.907 -0.278 1
1 587 . 20 1 1 A 53 53 VAL H H 53 8.956 9.084 -0.128 1
1 588 . 20 1 1 A 53 53 VAL HA H 53 3.745 4.098 -0.353 1
1 596 . 20 1 1 A 53 53 VAL C C 53 174.610 175.656 -1.046 1
1 597 . 20 1 1 A 53 53 VAL CA C 53 64.676 63.681 0.995 1
1 598 . 20 1 1 A 53 53 VAL CB C 53 32.305 32.008 0.297 1
1 601 . 20 1 1 A 53 53 VAL N N 53 125.547 125.186 0.361 1
1 602 . 20 1 1 A 54 54 ILE H H 54 8.705 8.863 -0.158 1
1 603 . 20 1 1 A 54 54 ILE HA H 54 4.324 4.261 0.063 1
1 613 . 20 1 1 A 54 54 ILE C C 54 176.747 176.424 0.323 1
1 614 . 20 1 1 A 54 54 ILE CA C 54 58.623 62.951 -4.328 1
1 615 . 20 1 1 A 54 54 ILE CB C 54 36.787 39.355 -2.568 1
1 619 . 20 1 1 A 54 54 ILE N N 54 126.147 126.857 -0.710 1
1 620 . 20 1 1 A 55 55 HIS H H 55 7.913 7.704 0.209 1
1 621 . 20 1 1 A 55 55 HIS HA H 55 4.626 4.247 0.379 1
1 626 . 20 1 1 A 55 55 HIS C C 55 174.365 175.701 -1.336 1
1 627 . 20 1 1 A 55 55 HIS CA C 55 57.917 57.247 0.670 1
1 628 . 20 1 1 A 55 55 HIS CB C 55 29.796 29.737 0.059 1
1 631 . 20 1 1 A 55 55 HIS N N 55 119.790 122.560 -2.770 1
1 632 . 20 1 1 A 56 56 PHE H H 56 9.382 8.780 0.602 1
1 633 . 20 1 1 A 56 56 PHE HA H 56 4.225 4.308 -0.083 1
1 641 . 20 1 1 A 56 56 PHE C C 56 175.781 175.033 0.748 1
1 642 . 20 1 1 A 56 56 PHE CA C 56 57.593 58.397 -0.804 1
1 643 . 20 1 1 A 56 56 PHE CB C 56 36.664 36.192 0.472 1
1 649 . 20 1 1 A 56 56 PHE N N 56 124.614 122.993 1.621 1
1 650 . 20 1 1 A 57 57 ASN H H 57 8.755 7.863 0.892 1
1 651 . 20 1 1 A 57 57 ASN HA H 57 5.319 5.056 0.263 1
1 656 . 20 1 1 A 57 57 ASN C C 57 175.317 175.155 0.162 1
1 657 . 20 1 1 A 57 57 ASN CA C 57 52.129 53.632 -1.503 1
1 658 . 20 1 1 A 57 57 ASN CB C 57 41.640 41.217 0.423 1
1 659 . 20 1 1 A 57 57 ASN N N 57 114.893 116.310 -1.417 1
1 661 . 20 1 1 A 58 58 VAL H H 58 8.606 7.542 1.064 1
1 662 . 20 1 1 A 58 58 VAL HA H 58 4.138 4.582 -0.444 1
1 670 . 20 1 1 A 58 58 VAL C C 58 175.486 176.158 -0.672 1
1 671 . 20 1 1 A 58 58 VAL CA C 58 63.035 62.691 0.344 1
1 672 . 20 1 1 A 58 58 VAL CB C 58 32.733 30.931 1.802 1
1 675 . 20 1 1 A 58 58 VAL N N 58 121.476 119.456 2.020 1
1 676 . 20 1 1 A 59 59 ARG H H 59 9.233 8.815 0.418 1
1 677 . 20 1 1 A 59 59 ARG HA H 59 4.184 4.222 -0.038 1
1 684 . 20 1 1 A 59 59 ARG C C 59 175.572 175.704 -0.132 1
1 685 . 20 1 1 A 59 59 ARG CA C 59 58.093 57.890 0.203 1
1 686 . 20 1 1 A 59 59 ARG CB C 59 31.236 31.319 -0.083 1
1 689 . 20 1 1 A 59 59 ARG N N 59 128.965 129.778 -0.813 1
1 690 . 20 1 1 A 60 60 ASP H H 60 7.745 7.704 0.041 1
1 691 . 20 1 1 A 60 60 ASP HA H 60 4.485 4.996 -0.511 1
1 694 . 20 1 1 A 60 60 ASP C C 60 173.047 173.535 -0.488 1
1 695 . 20 1 1 A 60 60 ASP CA C 60 53.911 53.384 0.527 1
1 696 . 20 1 1 A 60 60 ASP CB C 60 42.874 43.426 -0.552 1
1 697 . 20 1 1 A 60 60 ASP N N 60 113.170 114.646 -1.476 1
1 698 . 20 1 1 A 61 61 ILE H H 61 8.398 8.501 -0.103 1
1 699 . 20 1 1 A 61 61 ILE HA H 61 5.055 4.915 0.140 1
1 709 . 20 1 1 A 61 61 ILE C C 61 174.897 174.415 0.482 1
1 710 . 20 1 1 A 61 61 ILE CA C 61 60.511 60.271 0.240 1
1 711 . 20 1 1 A 61 61 ILE CB C 61 41.558 41.100 0.458 1
1 715 . 20 1 1 A 61 61 ILE N N 61 118.375 119.744 -1.369 1
1 716 . 20 1 1 A 62 62 LYS H H 62 8.619 8.894 -0.275 1
1 717 . 20 1 1 A 62 62 LYS HA H 62 4.711 5.030 -0.319 1
1 726 . 20 1 1 A 62 62 LYS C C 62 174.636 175.388 -0.752 1
1 727 . 20 1 1 A 62 62 LYS CA C 62 53.947 54.792 -0.845 1
1 728 . 20 1 1 A 62 62 LYS CB C 62 35.677 35.448 0.229 1
1 732 . 20 1 1 A 62 62 LYS N N 62 128.701 126.609 2.092 1
1 733 . 20 1 1 A 63 63 VAL H H 63 8.946 8.713 0.233 1
1 734 . 20 1 1 A 63 63 VAL HA H 63 5.073 4.660 0.413 1
1 742 . 20 1 1 A 63 63 VAL C C 63 177.772 176.126 1.646 1
1 743 . 20 1 1 A 63 63 VAL CA C 63 59.734 60.899 -1.165 1
1 744 . 20 1 1 A 63 63 VAL CB C 63 36.210 34.542 1.668 1
1 747 . 20 1 1 A 63 63 VAL N N 63 120.053 122.281 -2.228 1
1 748 . 20 1 1 A 64 64 GLY H H 64 9.804 8.965 0.839 1
1 749 . 20 1 1 A 64 64 GLY HA2 H 64 4.415 3.919 0.496 1
1 750 . 20 1 1 A 64 64 GLY HA3 H 64 3.906 3.922 -0.016 1
1 751 . 20 1 1 A 64 64 GLY C C 64 176.864 175.213 1.651 1
1 752 . 20 1 1 A 64 64 GLY CA C 64 47.063 46.697 0.366 1
1 753 . 20 1 1 A 64 64 GLY N N 64 118.354 114.528 3.826 1
1 754 . 20 1 1 A 65 65 GLN H H 65 9.045 8.819 0.226 1
1 755 . 20 1 1 A 65 65 GLN HA H 65 3.944 4.031 -0.087 1
1 762 . 20 1 1 A 65 65 GLN C C 65 176.698 177.905 -1.207 1
1 763 . 20 1 1 A 65 65 GLN CA C 65 57.793 58.861 -1.068 1
1 764 . 20 1 1 A 65 65 GLN CB C 65 27.822 28.504 -0.682 1
1 766 . 20 1 1 A 65 65 GLN N N 65 124.600 124.528 0.072 1
1 768 . 20 1 1 A 66 66 GLU H H 66 7.886 7.758 0.128 1
1 769 . 20 1 1 A 66 66 GLU HA H 66 4.145 4.118 0.027 1
1 774 . 20 1 1 A 66 66 GLU C C 66 178.049 177.764 0.285 1
1 775 . 20 1 1 A 66 66 GLU CA C 66 57.564 59.227 -1.663 1
1 776 . 20 1 1 A 66 66 GLU CB C 66 31.236 29.197 2.039 1
1 778 . 20 1 1 A 66 66 GLU N N 66 116.486 117.629 -1.143 1
1 779 . 20 1 1 A 67 67 CYS H H 67 8.015 8.099 -0.084 1
1 780 . 20 1 1 A 67 67 CYS HA H 67 4.331 4.472 -0.141 1
1 783 . 20 1 1 A 67 67 CYS C C 67 175.278 174.861 0.417 1
1 784 . 20 1 1 A 67 67 CYS CA C 67 58.817 59.349 -0.532 1
1 785 . 20 1 1 A 67 67 CYS CB C 67 26.342 28.160 -1.818 1
1 786 . 20 1 1 A 67 67 CYS N N 67 119.526 118.754 0.772 1
1 787 . 20 1 1 A 68 68 GLN H H 68 7.983 8.650 -0.667 1
1 788 . 20 1 1 A 68 68 GLN HA H 68 4.199 4.382 -0.183 1
1 795 . 20 1 1 A 68 68 GLN C C 68 175.866 176.199 -0.333 1
1 796 . 20 1 1 A 68 68 GLN CA C 68 56.399 55.940 0.459 1
1 797 . 20 1 1 A 68 68 GLN CB C 68 29.837 29.656 0.181 1
1 799 . 20 1 1 A 68 68 GLN N N 68 120.826 122.584 -1.758 1
1 801 . 20 1 1 A 69 69 ASP H H 69 8.755 8.452 0.303 1
1 802 . 20 1 1 A 69 69 ASP HA H 69 4.395 4.810 -0.415 1
1 805 . 20 1 1 A 69 69 ASP C C 69 174.652 176.148 -1.496 1
1 806 . 20 1 1 A 69 69 ASP CA C 69 54.546 53.035 1.511 1
1 807 . 20 1 1 A 69 69 ASP CB C 69 39.954 39.552 0.402 1
1 808 . 20 1 1 A 69 69 ASP N N 69 117.691 122.139 -4.448 1
1 809 . 20 1 1 A 70 70 VAL H H 70 7.245 7.143 0.102 1
1 810 . 20 1 1 A 70 70 VAL HA H 70 4.173 4.092 0.081 1
1 818 . 20 1 1 A 70 70 VAL C C 70 173.502 175.540 -2.038 1
1 819 . 20 1 1 A 70 70 VAL CA C 70 60.502 63.222 -2.720 1
1 820 . 20 1 1 A 70 70 VAL CB C 70 34.397 32.351 2.046 1
1 823 . 20 1 1 A 70 70 VAL N N 70 116.632 120.501 -3.869 1
1 824 . 20 1 1 A 71 71 GLN H H 71 8.513 8.649 -0.136 1
1 825 . 20 1 1 A 71 71 GLN HA H 71 4.758 4.874 -0.116 1
1 832 . 20 1 1 A 71 71 GLN C C 71 173.404 174.546 -1.142 1
1 833 . 20 1 1 A 71 71 GLN CA C 71 52.093 52.618 -0.525 1
1 834 . 20 1 1 A 71 71 GLN CB C 71 29.467 30.174 -0.707 1
1 836 . 20 1 1 A 71 71 GLN N N 71 125.361 125.910 -0.549 1
1 838 . 20 1 1 A 72 72 PRO HA H 72 3.955 4.444 -0.489 1
1 845 . 20 1 1 A 72 72 PRO CA C 72 61.219 61.538 -0.319 1
1 846 . 20 1 1 A 72 72 PRO CB C 72 30.548 31.504 -0.956 1
1 849 . 20 1 1 A 73 73 PRO HA H 73 3.584 4.370 -0.786 1
1 856 . 20 1 1 A 73 73 PRO C C 73 175.005 176.551 -1.546 1
1 857 . 20 1 1 A 73 73 PRO CA C 73 61.764 62.380 -0.616 1
1 858 . 20 1 1 A 73 73 PRO CB C 73 30.080 31.558 -1.478 1
1 861 . 20 1 1 A 74 74 GLU H H 74 8.066 8.558 -0.492 1
1 862 . 20 1 1 A 74 74 GLU HA H 74 3.766 3.884 -0.118 1
1 867 . 20 1 1 A 74 74 GLU C C 74 177.415 177.235 0.180 1
1 868 . 20 1 1 A 74 74 GLU CA C 74 58.005 58.226 -0.221 1
1 869 . 20 1 1 A 74 74 GLU CB C 74 29.340 29.380 -0.040 1
1 871 . 20 1 1 A 74 74 GLU N N 74 120.425 122.529 -2.104 1
1 872 . 20 1 1 A 75 75 GLY H H 75 8.576 8.844 -0.268 1
1 873 . 20 1 1 A 75 75 GLY HA2 H 75 4.024 3.926 0.098 1
1 874 . 20 1 1 A 75 75 GLY HA3 H 75 3.568 3.939 -0.371 1
1 875 . 20 1 1 A 75 75 GLY C C 75 174.093 174.131 -0.038 1
1 876 . 20 1 1 A 75 75 GLY CA C 75 45.299 45.364 -0.065 1
1 877 . 20 1 1 A 75 75 GLY N N 75 112.779 115.120 -2.341 1
1 878 . 20 1 1 A 76 76 ARG H H 76 7.791 7.977 -0.186 1
1 879 . 20 1 1 A 76 76 ARG HA H 76 4.444 4.266 0.178 1
1 887 . 20 1 1 A 76 76 ARG C C 76 175.188 175.015 0.173 1
1 888 . 20 1 1 A 76 76 ARG CA C 76 54.617 56.453 -1.836 1
1 889 . 20 1 1 A 76 76 ARG CB C 76 31.030 31.625 -0.595 1
1 892 . 20 1 1 A 76 76 ARG N N 76 121.088 121.554 -0.466 1
1 894 . 20 1 1 A 77 77 SER H H 77 8.235 8.570 -0.335 1
1 895 . 20 1 1 A 77 77 SER HA H 77 4.405 4.729 -0.324 1
1 898 . 20 1 1 A 77 77 SER C C 77 176.069 174.427 1.642 1
1 899 . 20 1 1 A 77 77 SER CA C 77 56.805 57.360 -0.555 1
1 900 . 20 1 1 A 77 77 SER CB C 77 64.136 66.825 -2.689 1
1 901 . 20 1 1 A 77 77 SER N N 77 113.991 116.182 -2.191 1
1 902 . 20 1 1 A 78 78 ARG H H 78 8.745 9.013 -0.268 1
1 903 . 20 1 1 A 78 78 ARG HA H 78 3.774 3.957 -0.183 1
1 909 . 20 1 1 A 78 78 ARG C C 78 176.758 177.634 -0.876 1
1 910 . 20 1 1 A 78 78 ARG CA C 78 58.341 60.199 -1.858 1
1 911 . 20 1 1 A 78 78 ARG CB C 78 30.043 29.792 0.251 1
1 914 . 20 1 1 A 78 78 ARG N N 78 122.262 124.456 -2.194 1
1 915 . 20 1 1 A 79 79 ASP H H 79 8.106 8.315 -0.209 1
1 916 . 20 1 1 A 79 79 ASP HA H 79 4.175 4.380 -0.205 1
1 919 . 20 1 1 A 79 79 ASP C C 79 175.579 178.794 -3.215 1
1 920 . 20 1 1 A 79 79 ASP CA C 79 57.159 56.714 0.445 1
1 921 . 20 1 1 A 79 79 ASP CB C 79 40.900 40.390 0.510 1
1 922 . 20 1 1 A 79 79 ASP N N 79 115.963 119.410 -3.447 1
1 923 . 20 1 1 A 80 80 GLY H H 80 7.305 8.010 -0.705 1
1 924 . 20 1 1 A 80 80 GLY HA2 H 80 4.047 3.961 0.086 1
1 925 . 20 1 1 A 80 80 GLY HA3 H 80 3.387 3.986 -0.599 1
1 926 . 20 1 1 A 80 80 GLY C C 80 174.263 174.481 -0.218 1
1 927 . 20 1 1 A 80 80 GLY CA C 80 44.276 45.666 -1.390 1
1 928 . 20 1 1 A 80 80 GLY N N 80 101.592 107.591 -5.999 1
1 929 . 20 1 1 A 81 81 LEU H H 81 7.307 7.131 0.176 1
1 930 . 20 1 1 A 81 81 LEU HA H 81 4.494 4.118 0.376 1
1 940 . 20 1 1 A 81 81 LEU C C 81 176.212 176.481 -0.269 1
1 941 . 20 1 1 A 81 81 LEU CA C 81 56.346 55.888 0.458 1
1 942 . 20 1 1 A 81 81 LEU CB C 81 44.025 42.487 1.538 1
1 946 . 20 1 1 A 81 81 LEU N N 81 121.062 121.643 -0.581 1
1 947 . 20 1 1 A 82 82 LEU H H 82 8.286 8.299 -0.013 1
1 948 . 20 1 1 A 82 82 LEU HA H 82 5.260 4.871 0.389 1
1 958 . 20 1 1 A 82 82 LEU C C 82 175.122 174.631 0.491 1
1 959 . 20 1 1 A 82 82 LEU CA C 82 55.334 54.571 0.763 1
1 960 . 20 1 1 A 82 82 LEU CB C 82 46.064 45.224 0.840 1
1 964 . 20 1 1 A 82 82 LEU N N 82 118.524 123.575 -5.051 1
1 965 . 20 1 1 A 83 83 THR H H 83 9.095 8.800 0.295 1
1 966 . 20 1 1 A 83 83 THR HA H 83 5.305 5.033 0.272 1
1 971 . 20 1 1 A 83 83 THR C C 83 173.754 173.715 0.039 1
1 972 . 20 1 1 A 83 83 THR CA C 83 61.076 61.584 -0.508 1
1 973 . 20 1 1 A 83 83 THR CB C 83 71.268 70.227 1.041 1
1 975 . 20 1 1 A 83 83 THR N N 83 120.894 123.577 -2.683 1
1 976 . 20 1 1 A 84 84 VAL H H 84 9.175 9.164 0.011 1
1 977 . 20 1 1 A 84 84 VAL HA H 84 4.205 4.601 -0.396 1
1 985 . 20 1 1 A 84 84 VAL C C 84 173.741 174.656 -0.915 1
1 986 . 20 1 1 A 84 84 VAL CA C 84 61.182 60.649 0.533 1
1 987 . 20 1 1 A 84 84 VAL CB C 84 32.921 34.575 -1.654 1
1 990 . 20 1 1 A 84 84 VAL N N 84 127.342 126.594 0.748 1
1 991 . 20 1 1 A 85 85 ASN H H 85 8.597 9.205 -0.608 1
1 992 . 20 1 1 A 85 85 ASN HA H 85 4.960 5.404 -0.444 1
1 997 . 20 1 1 A 85 85 ASN C C 85 174.440 174.126 0.314 1
1 998 . 20 1 1 A 85 85 ASN CA C 85 52.870 52.118 0.752 1
1 999 . 20 1 1 A 85 85 ASN CB C 85 39.214 40.366 -1.152 1
1 1000 . 20 1 1 A 85 85 ASN N N 85 125.999 125.404 0.595 1
1 1002 . 20 1 1 A 86 86 LEU H H 86 8.283 8.508 -0.225 1
1 1003 . 20 1 1 A 86 86 LEU HA H 86 5.176 5.036 0.140 1
1 1013 . 20 1 1 A 86 86 LEU C C 86 178.644 177.651 0.993 1
1 1014 . 20 1 1 A 86 86 LEU CA C 86 53.700 53.343 0.357 1
1 1015 . 20 1 1 A 86 86 LEU CB C 86 42.298 43.828 -1.530 1
1 1019 . 20 1 1 A 86 86 LEU N N 86 125.763 125.079 0.684 1
1 1020 . 20 1 1 A 87 87 ARG H H 87 8.655 9.247 -0.592 1
1 1021 . 20 1 1 A 87 87 ARG HA H 87 3.905 3.946 -0.041 1
1 1028 . 20 1 1 A 87 87 ARG C C 87 177.223 177.908 -0.685 1
1 1029 . 20 1 1 A 87 87 ARG CA C 87 59.717 59.923 -0.206 1
1 1030 . 20 1 1 A 87 87 ARG CB C 87 29.280 29.969 -0.689 1
1 1033 . 20 1 1 A 87 87 ARG N N 87 123.105 122.856 0.249 1
1 1034 . 20 1 1 A 88 88 GLU H H 88 8.525 8.053 0.472 1
1 1035 . 20 1 1 A 88 88 GLU HA H 88 4.515 4.218 0.297 1
1 1040 . 20 1 1 A 88 88 GLU C C 88 175.762 176.967 -1.205 1
1 1041 . 20 1 1 A 88 88 GLU CA C 88 55.852 56.972 -1.120 1
1 1042 . 20 1 1 A 88 88 GLU CB C 88 30.249 30.343 -0.094 1
1 1044 . 20 1 1 A 88 88 GLU N N 88 117.722 116.328 1.394 1
1 1045 . 20 1 1 A 89 89 GLY H H 89 8.063 8.119 -0.056 1
1 1046 . 20 1 1 A 89 89 GLY HA2 H 89 3.735 4.031 -0.296 1
1 1047 . 20 1 1 A 89 89 GLY HA3 H 89 4.536 4.032 0.504 1
1 1048 . 20 1 1 A 89 89 GLY C C 89 173.864 174.818 -0.954 1
1 1049 . 20 1 1 A 89 89 GLY CA C 89 44.222 45.319 -1.097 1
1 1050 . 20 1 1 A 89 89 GLY N N 89 110.616 109.531 1.085 1
1 1051 . 20 1 1 A 90 90 SER H H 90 8.094 8.070 0.024 1
1 1052 . 20 1 1 A 90 90 SER HA H 90 4.484 4.491 -0.007 1
1 1055 . 20 1 1 A 90 90 SER C C 90 172.813 173.161 -0.348 1
1 1056 . 20 1 1 A 90 90 SER CA C 90 58.552 59.289 -0.737 1
1 1057 . 20 1 1 A 90 90 SER CB C 90 63.915 64.422 -0.507 1
1 1058 . 20 1 1 A 90 90 SER N N 90 116.620 117.220 -0.600 1
1 1059 . 20 1 1 A 91 91 ARG H H 91 8.285 8.825 -0.540 1
1 1060 . 20 1 1 A 91 91 ARG HA H 91 4.725 5.188 -0.463 1
1 1067 . 20 1 1 A 91 91 ARG C C 91 175.511 175.180 0.331 1
1 1068 . 20 1 1 A 91 91 ARG CA C 91 55.870 54.662 1.208 1
1 1069 . 20 1 1 A 91 91 ARG CB C 91 32.058 33.659 -1.601 1
1 1072 . 20 1 1 A 91 91 ARG N N 91 121.045 123.082 -2.037 1
1 1073 . 20 1 1 A 92 92 LEU H H 92 8.485 9.095 -0.610 1
1 1074 . 20 1 1 A 92 92 LEU HA H 92 4.555 4.884 -0.329 1
1 1084 . 20 1 1 A 92 92 LEU C C 92 174.815 175.925 -1.110 1
1 1085 . 20 1 1 A 92 92 LEU CA C 92 53.629 53.752 -0.123 1
1 1086 . 20 1 1 A 92 92 LEU CB C 92 44.066 41.827 2.239 1
1 1090 . 20 1 1 A 92 92 LEU N N 92 123.633 123.662 -0.029 1
1 1091 . 20 1 1 A 93 93 HIS H H 93 8.871 9.225 -0.354 1
1 1092 . 20 1 1 A 93 93 HIS HA H 93 5.135 5.187 -0.052 1
1 1097 . 20 1 1 A 93 93 HIS C C 93 173.251 174.483 -1.232 1
1 1098 . 20 1 1 A 93 93 HIS CA C 93 56.135 54.885 1.250 1
1 1099 . 20 1 1 A 93 93 HIS CB C 93 30.701 30.852 -0.151 1
1 1101 . 20 1 1 A 93 93 HIS N N 93 124.492 123.655 0.837 1
1 1102 . 20 1 1 A 94 94 LEU H H 94 9.105 9.074 0.031 1
1 1103 . 20 1 1 A 94 94 LEU HA H 94 5.940 5.532 0.408 1
1 1113 . 20 1 1 A 94 94 LEU C C 94 177.396 175.491 1.905 1
1 1114 . 20 1 1 A 94 94 LEU CA C 94 52.552 53.390 -0.838 1
1 1115 . 20 1 1 A 94 94 LEU CB C 94 45.465 46.603 -1.138 1
1 1119 . 20 1 1 A 94 94 LEU N N 94 122.911 124.708 -1.797 1
1 1120 . 20 1 1 A 95 95 CYS H H 95 8.953 8.553 0.400 1
1 1121 . 20 1 1 A 95 95 CYS HA H 95 4.863 4.841 0.022 1
1 1124 . 20 1 1 A 95 95 CYS C C 95 172.585 173.681 -1.096 1
1 1125 . 20 1 1 A 95 95 CYS CA C 95 59.964 58.038 1.926 1
1 1126 . 20 1 1 A 95 95 CYS CB C 95 29.220 30.877 -1.657 1
1 1127 . 20 1 1 A 95 95 CYS N N 95 118.920 118.604 0.316 1
1 1128 . 20 1 1 A 96 96 ALA H H 96 9.465 8.531 0.934 1
1 1129 . 20 1 1 A 96 96 ALA HA H 96 5.035 4.686 0.349 1
1 1133 . 20 1 1 A 96 96 ALA C C 96 177.396 178.971 -1.575 1
1 1134 . 20 1 1 A 96 96 ALA CA C 96 50.205 51.354 -1.149 1
1 1135 . 20 1 1 A 96 96 ALA CB C 96 21.571 20.915 0.656 1
1 1136 . 20 1 1 A 96 96 ALA N N 96 132.924 128.719 4.205 1
1 1137 . 20 1 1 A 97 97 GLU H H 97 9.636 8.946 0.690 1
1 1138 . 20 1 1 A 97 97 GLU HA H 97 4.344 4.272 0.072 1
1 1143 . 20 1 1 A 97 97 GLU C C 97 176.882 176.313 0.569 1
1 1144 . 20 1 1 A 97 97 GLU CA C 97 58.040 58.022 0.018 1
1 1145 . 20 1 1 A 97 97 GLU CB C 97 30.207 29.866 0.341 1
1 1147 . 20 1 1 A 97 97 GLU N N 97 116.636 117.713 -1.077 1
1 1148 . 20 1 1 A 98 98 THR H H 98 7.155 7.713 -0.558 1
1 1149 . 20 1 1 A 98 98 THR HA H 98 4.684 4.695 -0.011 1
1 1154 . 20 1 1 A 98 98 THR C C 98 174.259 174.151 0.108 1
1 1155 . 20 1 1 A 98 98 THR CA C 98 58.323 60.007 -1.684 1
1 1156 . 20 1 1 A 98 98 THR CB C 98 73.529 71.709 1.820 1
1 1158 . 20 1 1 A 98 98 THR N N 98 102.167 109.624 -7.457 1
1 1159 . 20 1 1 A 99 99 ARG H H 99 9.025 8.952 0.073 1
1 1160 . 20 1 1 A 99 99 ARG HA H 99 4.056 4.201 -0.145 1
1 1167 . 20 1 1 A 99 99 ARG C C 99 177.995 178.491 -0.496 1
1 1168 . 20 1 1 A 99 99 ARG CA C 99 59.029 57.934 1.095 1
1 1169 . 20 1 1 A 99 99 ARG CB C 99 30.208 30.323 -0.115 1
1 1172 . 20 1 1 A 99 99 ARG N N 99 122.747 119.445 3.302 1
1 1173 . 20 1 1 A 100 100 ASP H H 100 8.387 7.948 0.439 1
1 1174 . 20 1 1 A 100 100 ASP HA H 100 4.306 4.356 -0.050 1
1 1177 . 20 1 1 A 100 100 ASP C C 100 179.110 178.119 0.991 1
1 1178 . 20 1 1 A 100 100 ASP CA C 100 57.475 57.155 0.320 1
1 1179 . 20 1 1 A 100 100 ASP CB C 100 40.201 41.034 -0.833 1
1 1180 . 20 1 1 A 100 100 ASP N N 100 116.422 120.598 -4.176 1
1 1181 . 20 1 1 A 101 101 ASP H H 101 8.046 7.995 0.051 1
1 1182 . 20 1 1 A 101 101 ASP HA H 101 4.576 4.352 0.224 1
1 1185 . 20 1 1 A 101 101 ASP C C 101 177.751 178.657 -0.906 1
1 1186 . 20 1 1 A 101 101 ASP CA C 101 57.229 57.121 0.108 1
1 1187 . 20 1 1 A 101 101 ASP CB C 101 42.093 40.142 1.951 1
1 1188 . 20 1 1 A 101 101 ASP N N 101 120.742 119.733 1.009 1
1 1189 . 20 1 1 A 102 102 ALA H H 102 7.674 7.894 -0.220 1
1 1190 . 20 1 1 A 102 102 ALA HA H 102 4.084 4.202 -0.118 1
1 1194 . 20 1 1 A 102 102 ALA C C 102 179.609 179.837 -0.228 1
1 1195 . 20 1 1 A 102 102 ALA CA C 102 56.364 55.197 1.167 1
1 1196 . 20 1 1 A 102 102 ALA CB C 102 17.952 18.647 -0.695 1
1 1197 . 20 1 1 A 102 102 ALA N N 102 122.523 122.201 0.322 1
1 1198 . 20 1 1 A 103 103 ILE H H 103 8.499 7.683 0.816 1
1 1199 . 20 1 1 A 103 103 ILE HA H 103 3.681 3.668 0.013 1
1 1209 . 20 1 1 A 103 103 ILE C C 103 178.622 178.275 0.347 1
1 1210 . 20 1 1 A 103 103 ILE CA C 103 64.182 65.379 -1.197 1
1 1211 . 20 1 1 A 103 103 ILE CB C 103 37.240 37.483 -0.243 1
1 1215 . 20 1 1 A 103 103 ILE N N 103 117.417 118.023 -0.606 1
1 1216 . 20 1 1 A 104 104 ALA H H 104 8.174 8.242 -0.068 1
1 1217 . 20 1 1 A 104 104 ALA HA H 104 4.095 3.996 0.099 1
1 1221 . 20 1 1 A 104 104 ALA C C 104 181.998 180.039 1.959 1
1 1222 . 20 1 1 A 104 104 ALA CA C 104 55.517 55.194 0.323 1
1 1223 . 20 1 1 A 104 104 ALA CB C 104 17.294 18.561 -1.267 1
1 1224 . 20 1 1 A 104 104 ALA N N 104 124.916 121.701 3.215 1
1 1225 . 20 1 1 A 105 105 TRP H H 105 8.365 7.932 0.433 1
1 1226 . 20 1 1 A 105 105 TRP HA H 105 4.025 4.455 -0.430 1
1 1235 . 20 1 1 A 105 105 TRP C C 105 177.969 178.739 -0.770 1
1 1236 . 20 1 1 A 105 105 TRP CA C 105 62.011 59.889 2.122 1
1 1237 . 20 1 1 A 105 105 TRP CB C 105 29.179 28.952 0.227 1
1 1243 . 20 1 1 A 105 105 TRP N N 105 119.726 118.294 1.432 1
1 1245 . 20 1 1 A 106 106 LYS H H 106 8.746 8.108 0.638 1
1 1246 . 20 1 1 A 106 106 LYS HA H 106 3.805 4.124 -0.319 1
1 1255 . 20 1 1 A 106 106 LYS C C 106 177.626 179.018 -1.392 1
1 1256 . 20 1 1 A 106 106 LYS CA C 106 60.865 59.334 1.531 1
1 1257 . 20 1 1 A 106 106 LYS CB C 106 31.606 32.057 -0.451 1
1 1261 . 20 1 1 A 106 106 LYS N N 106 120.565 120.428 0.137 1
1 1262 . 20 1 1 A 107 107 THR H H 107 8.714 7.923 0.791 1
1 1263 . 20 1 1 A 107 107 THR HA H 107 3.774 3.846 -0.072 1
1 1268 . 20 1 1 A 107 107 THR C C 107 176.238 176.164 0.074 1
1 1269 . 20 1 1 A 107 107 THR CA C 107 66.688 66.662 0.026 1
1 1270 . 20 1 1 A 107 107 THR CB C 107 69.065 68.547 0.518 1
1 1272 . 20 1 1 A 107 107 THR N N 107 115.018 118.376 -3.358 1
1 1273 . 20 1 1 A 108 108 ALA H H 108 7.769 8.010 -0.241 1
1 1274 . 20 1 1 A 108 108 ALA HA H 108 4.094 4.053 0.041 1
1 1278 . 20 1 1 A 108 108 ALA C C 108 180.611 179.890 0.721 1
1 1279 . 20 1 1 A 108 108 ALA CA C 108 55.005 54.995 0.010 1
1 1280 . 20 1 1 A 108 108 ALA CB C 108 18.015 18.223 -0.208 1
1 1281 . 20 1 1 A 108 108 ALA N N 108 123.150 123.498 -0.348 1
1 1282 . 20 1 1 A 109 109 LEU H H 109 8.795 7.977 0.818 1
1 1283 . 20 1 1 A 109 109 LEU HA H 109 4.045 4.144 -0.099 1
1 1293 . 20 1 1 A 109 109 LEU C C 109 178.758 178.964 -0.206 1
1 1294 . 20 1 1 A 109 109 LEU CA C 109 58.093 57.826 0.267 1
1 1295 . 20 1 1 A 109 109 LEU CB C 109 42.298 42.213 0.085 1
1 1299 . 20 1 1 A 109 109 LEU N N 109 118.714 120.405 -1.691 1
1 1300 . 20 1 1 A 110 110 MET H H 110 8.582 8.591 -0.009 1
1 1301 . 20 1 1 A 110 110 MET HA H 110 4.404 4.016 0.388 1
1 1309 . 20 1 1 A 110 110 MET C C 110 180.290 179.007 1.283 1
1 1310 . 20 1 1 A 110 110 MET CA C 110 56.876 58.948 -2.072 1
1 1311 . 20 1 1 A 110 110 MET CB C 110 30.002 32.743 -2.741 1
1 1314 . 20 1 1 A 110 110 MET N N 110 117.122 116.387 0.735 1
1 1315 . 20 1 1 A 111 111 GLU H H 111 8.062 7.936 0.126 1
1 1316 . 20 1 1 A 111 111 GLU HA H 111 4.126 4.011 0.115 1
1 1321 . 20 1 1 A 111 111 GLU C C 111 179.237 178.658 0.579 1
1 1322 . 20 1 1 A 111 111 GLU CA C 111 59.435 58.902 0.533 1
1 1323 . 20 1 1 A 111 111 GLU CB C 111 29.015 29.462 -0.447 1
1 1325 . 20 1 1 A 111 111 GLU N N 111 121.532 118.549 2.983 1
1 1326 . 20 1 1 A 112 112 ALA H H 112 7.975 7.660 0.315 1
1 1327 . 20 1 1 A 112 112 ALA HA H 112 4.265 4.058 0.207 1
1 1331 . 20 1 1 A 112 112 ALA C C 112 179.608 179.707 -0.099 1
1 1332 . 20 1 1 A 112 112 ALA CA C 112 54.158 54.850 -0.692 1
1 1333 . 20 1 1 A 112 112 ALA CB C 112 19.530 18.444 1.086 1
1 1334 . 20 1 1 A 112 112 ALA N N 112 121.838 122.480 -0.642 1
1 1335 . 20 1 1 A 113 113 ASN H H 113 8.115 8.506 -0.391 1
1 1336 . 20 1 1 A 113 113 ASN HA H 113 4.822 4.633 0.189 1
1 1341 . 20 1 1 A 113 113 ASN C C 113 176.296 176.075 0.221 1
1 1342 . 20 1 1 A 113 113 ASN CA C 113 56.311 56.170 0.141 1
1 1343 . 20 1 1 A 113 113 ASN CB C 113 40.283 38.945 1.338 1
1 1344 . 20 1 1 A 113 113 ASN N N 113 115.563 117.878 -2.315 1
1 1346 . 20 1 1 A 114 114 SER H H 114 7.365 7.866 -0.501 1
1 1347 . 20 1 1 A 114 114 SER HA H 114 4.545 3.775 0.770 1
1 1350 . 20 1 1 A 114 114 SER C C 114 174.126 172.432 1.694 1
1 1351 . 20 1 1 A 114 114 SER CA C 114 58.464 56.908 1.556 1
1 1352 . 20 1 1 A 114 114 SER CB C 114 64.400 63.955 0.445 1
1 1353 . 20 1 1 A 114 114 SER N N 114 108.652 112.689 -4.037 1
1 1354 . 20 1 1 A 115 115 THR H H 115 7.849 6.936 0.913 1
1 1355 . 20 1 1 A 115 115 THR HA H 115 4.599 4.884 -0.285 1
1 1360 . 20 1 1 A 115 115 THR C C 115 172.337 172.411 -0.074 1
1 1361 . 20 1 1 A 115 115 THR CA C 115 60.817 59.122 1.695 1
1 1362 . 20 1 1 A 115 115 THR CB C 115 70.016 71.585 -1.569 1
1 1364 . 20 1 1 A 115 115 THR N N 115 118.885 116.921 1.964 1
1 1365 . 20 1 1 A 116 116 PRO HA H 116 4.404 4.490 -0.086 1
1 1372 . 20 1 1 A 116 116 PRO CA C 116 63.007 62.404 0.603 1
1 1373 . 20 1 1 A 116 116 PRO CB C 116 32.346 33.223 -0.877 1
1 1376 . 20 1 1 A 117 117 ALA H H 117 8.429 8.209 0.220 1
1 1377 . 20 1 1 A 117 117 ALA HA H 117 4.535 4.787 -0.252 1
1 1381 . 20 1 1 A 117 117 ALA CA C 117 50.359 49.918 0.441 1
1 1382 . 20 1 1 A 117 117 ALA CB C 117 18.069 21.951 -3.882 1
1 1383 . 20 1 1 A 117 117 ALA N N 117 125.693 121.526 4.167 1
1 1384 . 20 1 1 A 118 118 PRO HA H 118 4.377 4.518 -0.141 1
1 1391 . 20 1 1 A 118 118 PRO C C 118 176.656 176.535 0.121 1
1 1392 . 20 1 1 A 118 118 PRO CA C 118 63.105 64.131 -1.026 1
1 1393 . 20 1 1 A 118 118 PRO CB C 118 31.935 31.742 0.193 1
1 1396 . 20 1 1 A 119 119 ALA H H 119 8.430 7.833 0.597 1
1 1397 . 20 1 1 A 119 119 ALA HA H 119 4.255 4.378 -0.123 1
1 1401 . 20 1 1 A 119 119 ALA C C 119 178.416 177.747 0.669 1
1 1402 . 20 1 1 A 119 119 ALA CA C 119 52.744 51.813 0.931 1
1 1403 . 20 1 1 A 119 119 ALA CB C 119 19.186 20.886 -1.700 1
1 1404 . 20 1 1 A 119 119 ALA N N 119 124.565 122.615 1.950 1
1 1405 . 20 1 1 A 120 120 GLY H H 120 8.375 8.303 0.072 1
1 1406 . 20 1 1 A 120 120 GLY HA2 H 120 3.934 4.241 -0.307 1
1 1407 . 20 1 1 A 120 120 GLY HA3 H 120 3.934 4.243 -0.309 1
1 1408 . 20 1 1 A 120 120 GLY C C 120 173.810 172.213 1.597 1
1 1409 . 20 1 1 A 120 120 GLY CA C 120 45.176 43.988 1.188 1
1 1410 . 20 1 1 A 120 120 GLY N N 120 108.353 105.308 3.045 1
1 1411 . 20 1 1 A 121 121 ALA H H 121 8.116 8.269 -0.153 1
1 1412 . 20 1 1 A 121 121 ALA HA H 121 4.379 4.619 -0.240 1
1 1416 . 20 1 1 A 121 121 ALA C C 121 177.908 176.489 1.419 1
1 1417 . 20 1 1 A 121 121 ALA CA C 121 52.446 51.145 1.301 1
1 1418 . 20 1 1 A 121 121 ALA CB C 121 19.433 18.903 0.530 1
1 1419 . 20 1 1 A 121 121 ALA N N 121 123.561 122.489 1.072 1
1 1420 . 20 1 1 A 122 122 THR H H 122 8.212 8.751 -0.539 1
1 1421 . 20 1 1 A 122 122 THR C C 122 174.317 173.208 1.109 1
1 1422 . 20 1 1 A 122 122 THR CA C 122 61.888 61.199 0.689 1
1 1423 . 20 1 1 A 122 122 THR CB C 122 69.648 71.439 -1.791 1
1 1425 . 20 1 1 A 122 122 THR N N 122 114.319 118.886 -4.567 1
1 1426 . 20 1 1 A 123 123 VAL H H 123 8.222 8.632 -0.410 1
1 1427 . 20 1 1 A 123 123 VAL HA H 123 4.455 4.523 -0.068 1
1 1435 . 20 1 1 A 123 123 VAL C C 123 174.373 175.856 -1.483 1
1 1436 . 20 1 1 A 123 123 VAL CA C 123 59.717 59.697 0.020 1
1 1437 . 20 1 1 A 123 123 VAL CB C 123 32.593 32.077 0.516 1
1 1440 . 20 1 1 A 123 123 VAL N N 123 124.311 125.810 -1.499 1
1 1441 . 20 1 1 A 124 124 PRO HA H 124 4.403 4.607 -0.204 1
1 1446 . 20 1 1 A 124 124 PRO C C 124 176.873 176.918 -0.045 1
1 1447 . 20 1 1 A 124 124 PRO CA C 124 63.211 62.334 0.877 1
1 1448 . 20 1 1 A 124 124 PRO CB C 124 32.017 30.937 1.080 1
1 1451 . 20 1 1 A 125 125 SER H H 125 8.426 8.552 -0.126 1
1 1452 . 20 1 1 A 125 125 SER HA H 125 4.448 4.280 0.168 1
1 1455 . 20 1 1 A 125 125 SER C C 125 174.598 174.276 0.322 1
1 1456 . 20 1 1 A 125 125 SER CA C 125 58.341 58.808 -0.467 1
1 1457 . 20 1 1 A 125 125 SER CB C 125 64.054 63.768 0.286 1
1 1458 . 20 1 1 A 125 125 SER N N 125 116.463 115.306 1.157 1
1 1459 . 20 1 1 A 126 126 GLY H H 126 8.233 8.427 -0.194 1
1 1460 . 20 1 1 A 126 126 GLY C C 126 171.756 172.572 -0.816 1
1 1461 . 20 1 1 A 126 126 GLY CA C 126 44.611 45.353 -0.742 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 113 1.018 1
2 1 1 1 "RMS(OBS, PRED)" CA 119 1.106 1
3 1 1 1 "RMS(OBS, PRED)" CB 108 1.359 1
4 1 1 1 "RMS(OBS, PRED)" H 114 0.424 1
5 1 1 1 "RMS(OBS, PRED)" HA 124 0.363 1
6 1 1 1 "RMS(OBS, PRED)" N 110 2.672 1
7 1 2 1 "RMS(OBS, PRED)" C 113 1.191 1
8 1 2 1 "RMS(OBS, PRED)" CA 119 1.137 1
9 1 2 1 "RMS(OBS, PRED)" CB 108 1.305 1
10 1 2 1 "RMS(OBS, PRED)" H 114 0.485 1
11 1 2 1 "RMS(OBS, PRED)" HA 124 0.350 1
12 1 2 1 "RMS(OBS, PRED)" N 110 2.795 1
13 1 3 1 "RMS(OBS, PRED)" C 113 1.138 1
14 1 3 1 "RMS(OBS, PRED)" CA 119 1.084 1
15 1 3 1 "RMS(OBS, PRED)" CB 108 1.294 1
16 1 3 1 "RMS(OBS, PRED)" H 114 0.466 1
17 1 3 1 "RMS(OBS, PRED)" HA 124 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 110 2.738 1
19 1 4 1 "RMS(OBS, PRED)" C 113 1.141 1
20 1 4 1 "RMS(OBS, PRED)" CA 119 1.069 1
21 1 4 1 "RMS(OBS, PRED)" CB 108 1.371 1
22 1 4 1 "RMS(OBS, PRED)" H 114 0.465 1
23 1 4 1 "RMS(OBS, PRED)" HA 124 0.342 1
24 1 4 1 "RMS(OBS, PRED)" N 110 2.863 1
25 1 5 1 "RMS(OBS, PRED)" C 113 1.028 1
26 1 5 1 "RMS(OBS, PRED)" CA 119 1.119 1
27 1 5 1 "RMS(OBS, PRED)" CB 108 1.344 1
28 1 5 1 "RMS(OBS, PRED)" H 114 0.468 1
29 1 5 1 "RMS(OBS, PRED)" HA 124 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 110 2.642 1
31 1 6 1 "RMS(OBS, PRED)" C 113 1.038 1
32 1 6 1 "RMS(OBS, PRED)" CA 119 1.205 1
33 1 6 1 "RMS(OBS, PRED)" CB 108 1.370 1
34 1 6 1 "RMS(OBS, PRED)" H 114 0.468 1
35 1 6 1 "RMS(OBS, PRED)" HA 124 0.377 1
36 1 6 1 "RMS(OBS, PRED)" N 110 2.635 1
37 1 7 1 "RMS(OBS, PRED)" C 113 1.149 1
38 1 7 1 "RMS(OBS, PRED)" CA 119 1.145 1
39 1 7 1 "RMS(OBS, PRED)" CB 108 1.497 1
40 1 7 1 "RMS(OBS, PRED)" H 114 0.454 1
41 1 7 1 "RMS(OBS, PRED)" HA 124 0.378 1
42 1 7 1 "RMS(OBS, PRED)" N 110 2.688 1
43 1 8 1 "RMS(OBS, PRED)" C 113 1.040 1
44 1 8 1 "RMS(OBS, PRED)" CA 119 1.072 1
45 1 8 1 "RMS(OBS, PRED)" CB 108 1.423 1
46 1 8 1 "RMS(OBS, PRED)" H 114 0.471 1
47 1 8 1 "RMS(OBS, PRED)" HA 124 0.344 1
48 1 8 1 "RMS(OBS, PRED)" N 110 2.514 1
49 1 9 1 "RMS(OBS, PRED)" C 113 1.097 1
50 1 9 1 "RMS(OBS, PRED)" CA 119 1.120 1
51 1 9 1 "RMS(OBS, PRED)" CB 108 1.382 1
52 1 9 1 "RMS(OBS, PRED)" H 114 0.447 1
53 1 9 1 "RMS(OBS, PRED)" HA 124 0.326 1
54 1 9 1 "RMS(OBS, PRED)" N 110 2.780 1
55 1 10 1 "RMS(OBS, PRED)" C 113 1.055 1
56 1 10 1 "RMS(OBS, PRED)" CA 119 1.099 1
57 1 10 1 "RMS(OBS, PRED)" CB 108 1.361 1
58 1 10 1 "RMS(OBS, PRED)" H 114 0.470 1
59 1 10 1 "RMS(OBS, PRED)" HA 124 0.350 1
60 1 10 1 "RMS(OBS, PRED)" N 110 2.796 1
61 1 11 1 "RMS(OBS, PRED)" C 113 1.002 1
62 1 11 1 "RMS(OBS, PRED)" CA 119 1.078 1
63 1 11 1 "RMS(OBS, PRED)" CB 108 1.283 1
64 1 11 1 "RMS(OBS, PRED)" H 114 0.467 1
65 1 11 1 "RMS(OBS, PRED)" HA 124 0.350 1
66 1 11 1 "RMS(OBS, PRED)" N 110 2.733 1
67 1 12 1 "RMS(OBS, PRED)" C 113 1.108 1
68 1 12 1 "RMS(OBS, PRED)" CA 119 1.110 1
69 1 12 1 "RMS(OBS, PRED)" CB 108 1.335 1
70 1 12 1 "RMS(OBS, PRED)" H 114 0.478 1
71 1 12 1 "RMS(OBS, PRED)" HA 124 0.331 1
72 1 12 1 "RMS(OBS, PRED)" N 110 2.708 1
73 1 13 1 "RMS(OBS, PRED)" C 113 1.150 1
74 1 13 1 "RMS(OBS, PRED)" CA 119 1.135 1
75 1 13 1 "RMS(OBS, PRED)" CB 108 1.340 1
76 1 13 1 "RMS(OBS, PRED)" H 114 0.497 1
77 1 13 1 "RMS(OBS, PRED)" HA 124 0.349 1
78 1 13 1 "RMS(OBS, PRED)" N 110 2.743 1
79 1 14 1 "RMS(OBS, PRED)" C 113 1.107 1
80 1 14 1 "RMS(OBS, PRED)" CA 119 1.162 1
81 1 14 1 "RMS(OBS, PRED)" CB 108 1.298 1
82 1 14 1 "RMS(OBS, PRED)" H 114 0.451 1
83 1 14 1 "RMS(OBS, PRED)" HA 124 0.338 1
84 1 14 1 "RMS(OBS, PRED)" N 110 2.713 1
85 1 15 1 "RMS(OBS, PRED)" C 113 1.066 1
86 1 15 1 "RMS(OBS, PRED)" CA 119 1.140 1
87 1 15 1 "RMS(OBS, PRED)" CB 108 1.312 1
88 1 15 1 "RMS(OBS, PRED)" H 114 0.482 1
89 1 15 1 "RMS(OBS, PRED)" HA 124 0.320 1
90 1 15 1 "RMS(OBS, PRED)" N 110 2.849 1
91 1 16 1 "RMS(OBS, PRED)" C 113 1.014 1
92 1 16 1 "RMS(OBS, PRED)" CA 119 1.069 1
93 1 16 1 "RMS(OBS, PRED)" CB 108 1.463 1
94 1 16 1 "RMS(OBS, PRED)" H 114 0.445 1
95 1 16 1 "RMS(OBS, PRED)" HA 124 0.373 1
96 1 16 1 "RMS(OBS, PRED)" N 110 2.626 1
97 1 17 1 "RMS(OBS, PRED)" C 113 0.987 1
98 1 17 1 "RMS(OBS, PRED)" CA 119 1.132 1
99 1 17 1 "RMS(OBS, PRED)" CB 108 1.336 1
100 1 17 1 "RMS(OBS, PRED)" H 114 0.454 1
101 1 17 1 "RMS(OBS, PRED)" HA 124 0.338 1
102 1 17 1 "RMS(OBS, PRED)" N 110 2.796 1
103 1 18 1 "RMS(OBS, PRED)" C 113 1.092 1
104 1 18 1 "RMS(OBS, PRED)" CA 119 1.060 1
105 1 18 1 "RMS(OBS, PRED)" CB 108 1.344 1
106 1 18 1 "RMS(OBS, PRED)" H 114 0.479 1
107 1 18 1 "RMS(OBS, PRED)" HA 124 0.321 1
108 1 18 1 "RMS(OBS, PRED)" N 110 2.666 1
109 1 19 1 "RMS(OBS, PRED)" C 113 1.053 1
110 1 19 1 "RMS(OBS, PRED)" CA 119 1.047 1
111 1 19 1 "RMS(OBS, PRED)" CB 108 1.266 1
112 1 19 1 "RMS(OBS, PRED)" H 114 0.459 1
113 1 19 1 "RMS(OBS, PRED)" HA 124 0.349 1
114 1 19 1 "RMS(OBS, PRED)" N 110 2.618 1
115 1 20 1 "RMS(OBS, PRED)" C 113 1.038 1
116 1 20 1 "RMS(OBS, PRED)" CA 119 1.077 1
117 1 20 1 "RMS(OBS, PRED)" CB 108 1.325 1
118 1 20 1 "RMS(OBS, PRED)" H 114 0.446 1
119 1 20 1 "RMS(OBS, PRED)" HA 124 0.345 1
120 1 20 1 "RMS(OBS, PRED)" N 110 2.560 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.445 4.732 -0.287 2
1 4 . 1 1 A 6 6 SER C C 6 174.707 174.734 -0.027 2
1 5 . 1 1 A 6 6 SER CA C 6 58.482 58.129 0.353 2
1 6 . 1 1 A 6 6 SER CB C 6 63.848 64.450 -0.602 2
1 7 . 1 1 A 7 7 GLY H H 7 8.494 8.702 -0.208 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 4.105 4.129 -0.024 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 4.105 4.149 -0.044 2
1 10 . 1 1 A 7 7 GLY C C 7 172.961 173.820 -0.859 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.864 45.843 0.021 2
1 12 . 1 1 A 7 7 GLY N N 7 110.325 112.360 -2.035 2
1 13 . 1 1 A 8 8 LEU H H 8 8.295 8.061 0.234 2
1 14 . 1 1 A 8 8 LEU HA H 8 4.268 4.865 -0.597 2
1 24 . 1 1 A 8 8 LEU C C 8 176.773 175.894 0.879 2
1 25 . 1 1 A 8 8 LEU CA C 8 55.587 54.026 1.561 2
1 26 . 1 1 A 8 8 LEU CB C 8 43.367 43.914 -0.547 2
1 30 . 1 1 A 8 8 LEU N N 8 123.800 123.385 0.415 2
1 31 . 1 1 A 9 9 VAL H H 9 9.290 8.878 0.412 2
1 32 . 1 1 A 9 9 VAL HA H 9 3.826 4.024 -0.198 2
1 40 . 1 1 A 9 9 VAL C C 9 176.540 175.817 0.723 2
1 41 . 1 1 A 9 9 VAL CA C 9 64.888 63.913 0.975 2
1 42 . 1 1 A 9 9 VAL CB C 9 32.264 32.466 -0.202 2
1 45 . 1 1 A 9 9 VAL N N 9 129.415 126.218 3.197 2
1 46 . 1 1 A 10 10 ARG H H 10 7.135 7.519 -0.384 2
1 47 . 1 1 A 10 10 ARG HA H 10 4.126 4.648 -0.522 2
1 55 . 1 1 A 10 10 ARG C C 10 171.942 174.510 -2.568 2
1 56 . 1 1 A 10 10 ARG CA C 10 55.800 54.944 0.856 2
1 57 . 1 1 A 10 10 ARG CB C 10 32.223 33.572 -1.349 2
1 60 . 1 1 A 10 10 ARG N N 10 117.246 117.644 -0.398 2
1 62 . 1 1 A 11 11 GLY H H 11 8.390 8.356 0.034 2
1 63 . 1 1 A 11 11 GLY HA2 H 11 3.204 3.960 -0.756 2
1 64 . 1 1 A 11 11 GLY HA3 H 11 5.336 4.152 1.184 2
1 65 . 1 1 A 11 11 GLY C C 11 172.895 172.650 0.245 2
1 66 . 1 1 A 11 11 GLY CA C 11 43.481 44.837 -1.356 2
1 67 . 1 1 A 11 11 GLY N N 11 113.527 110.312 3.215 2
1 68 . 1 1 A 12 12 GLY H H 12 7.935 7.778 0.157 2
1 69 . 1 1 A 12 12 GLY C C 12 171.502 172.312 -0.810 2
1 70 . 1 1 A 12 12 GLY CA C 12 46.093 44.998 1.095 2
1 71 . 1 1 A 13 13 TRP H H 13 8.904 8.784 0.120 2
1 72 . 1 1 A 13 13 TRP HA H 13 5.205 5.317 -0.112 2
1 81 . 1 1 A 13 13 TRP C C 13 177.926 176.240 1.686 2
1 82 . 1 1 A 13 13 TRP CA C 13 57.846 57.398 0.448 2
1 83 . 1 1 A 13 13 TRP CB C 13 30.290 31.337 -1.047 2
1 89 . 1 1 A 13 13 TRP N N 13 121.758 121.502 0.256 2
1 91 . 1 1 A 14 14 LEU H H 14 9.295 8.913 0.382 2
1 92 . 1 1 A 14 14 LEU HA H 14 4.683 4.825 -0.142 2
1 102 . 1 1 A 14 14 LEU C C 14 175.828 176.065 -0.237 2
1 103 . 1 1 A 14 14 LEU CA C 14 54.670 53.624 1.046 2
1 104 . 1 1 A 14 14 LEU CB C 14 47.562 45.710 1.852 2
1 108 . 1 1 A 14 14 LEU N N 14 123.447 123.456 -0.009 2
1 109 . 1 1 A 15 15 TRP H H 15 8.655 8.751 -0.096 2
1 110 . 1 1 A 15 15 TRP HA H 15 5.315 5.288 0.027 2
1 119 . 1 1 A 15 15 TRP C C 15 175.899 175.932 -0.033 2
1 120 . 1 1 A 15 15 TRP CA C 15 57.159 57.636 -0.477 2
1 121 . 1 1 A 15 15 TRP CB C 15 30.759 30.212 0.547 2
1 127 . 1 1 A 15 15 TRP N N 15 119.571 124.394 -4.823 2
1 129 . 1 1 A 16 16 ARG H H 16 10.145 9.495 0.650 2
1 130 . 1 1 A 16 16 ARG HA H 16 5.495 5.416 0.079 2
1 138 . 1 1 A 16 16 ARG C C 16 174.930 174.851 0.079 2
1 139 . 1 1 A 16 16 ARG CA C 16 54.334 54.163 0.171 2
1 140 . 1 1 A 16 16 ARG CB C 16 34.808 33.577 1.231 2
1 143 . 1 1 A 16 16 ARG N N 16 121.997 125.754 -3.757 2
1 145 . 1 1 A 17 17 GLN H H 17 8.233 8.345 -0.112 2
1 146 . 1 1 A 17 17 GLN HA H 17 3.797 4.526 -0.729 2
1 153 . 1 1 A 17 17 GLN C C 17 175.654 175.205 0.449 2
1 154 . 1 1 A 17 17 GLN CA C 17 55.446 54.391 1.055 2
1 155 . 1 1 A 17 17 GLN CB C 17 29.056 29.951 -0.895 2
1 157 . 1 1 A 17 17 GLN N N 17 128.414 127.023 1.391 2
1 159 . 1 1 A 18 18 SER H H 18 8.635 8.501 0.134 2
1 160 . 1 1 A 18 18 SER HA H 18 4.575 4.616 -0.041 2
1 163 . 1 1 A 18 18 SER C C 18 175.585 174.587 0.998 2
1 164 . 1 1 A 18 18 SER CA C 18 57.246 57.209 0.037 2
1 165 . 1 1 A 18 18 SER CB C 18 64.012 64.920 -0.908 2
1 166 . 1 1 A 18 18 SER N N 18 122.600 120.903 1.697 2
1 167 . 1 1 A 20 20 ILE H H 20 7.976 7.762 0.214 2
1 168 . 1 1 A 20 20 ILE HA H 20 4.036 4.046 -0.010 2
1 178 . 1 1 A 20 20 ILE C C 20 176.929 177.677 -0.748 2
1 179 . 1 1 A 20 20 ILE CA C 20 62.929 63.124 -0.195 2
1 180 . 1 1 A 20 20 ILE CB C 20 37.912 38.639 -0.727 2
1 184 . 1 1 A 20 20 ILE N N 20 120.700 119.636 1.063 2
1 185 . 1 1 A 21 21 LEU H H 21 8.089 7.764 0.325 2
1 186 . 1 1 A 21 21 LEU HA H 21 4.159 4.251 -0.092 2
1 196 . 1 1 A 21 21 LEU C C 21 176.455 176.251 0.204 2
1 197 . 1 1 A 21 21 LEU CA C 21 55.287 55.908 -0.621 2
1 198 . 1 1 A 21 21 LEU CB C 21 42.051 42.418 -0.367 2
1 202 . 1 1 A 21 21 LEU N N 21 119.540 121.388 -1.848 2
1 203 . 1 1 A 22 22 ARG H H 22 7.687 7.778 -0.091 2
1 204 . 1 1 A 22 22 ARG HA H 22 3.806 3.813 -0.007 2
1 211 . 1 1 A 22 22 ARG C C 22 175.087 174.479 0.608 2
1 212 . 1 1 A 22 22 ARG CA C 22 56.788 57.087 -0.299 2
1 213 . 1 1 A 22 22 ARG CB C 22 27.130 27.372 -0.242 2
1 216 . 1 1 A 22 22 ARG N N 22 114.383 117.060 -2.677 2
1 217 . 1 1 A 23 23 ARG H H 23 7.392 7.599 -0.207 2
1 218 . 1 1 A 23 23 ARG HA H 23 4.603 4.801 -0.198 2
1 225 . 1 1 A 23 23 ARG C C 23 176.112 174.764 1.348 2
1 226 . 1 1 A 23 23 ARG CA C 23 54.846 54.673 0.173 2
1 227 . 1 1 A 23 23 ARG CB C 23 32.387 33.299 -0.912 2
1 230 . 1 1 A 23 23 ARG N N 23 115.846 117.822 -1.976 2
1 231 . 1 1 A 24 24 TRP H H 24 9.013 8.703 0.310 2
1 232 . 1 1 A 24 24 TRP HA H 24 5.154 5.275 -0.121 2
1 241 . 1 1 A 24 24 TRP C C 24 176.347 176.606 -0.259 2
1 242 . 1 1 A 24 24 TRP CA C 24 57.546 57.913 -0.367 2
1 243 . 1 1 A 24 24 TRP CB C 24 31.112 30.853 0.259 2
1 249 . 1 1 A 24 24 TRP N N 24 123.861 124.418 -0.557 2
1 251 . 1 1 A 25 25 LYS H H 25 9.553 9.696 -0.143 2
1 252 . 1 1 A 25 25 LYS HA H 25 4.992 5.436 -0.444 2
1 261 . 1 1 A 25 25 LYS C C 25 173.887 175.291 -1.404 2
1 262 . 1 1 A 25 25 LYS CA C 25 55.023 54.880 0.143 2
1 263 . 1 1 A 25 25 LYS CB C 25 35.965 36.370 -0.405 2
1 267 . 1 1 A 25 25 LYS N N 25 123.241 119.951 3.290 2
1 268 . 1 1 A 26 26 ARG H H 26 8.705 8.601 0.104 2
1 269 . 1 1 A 26 26 ARG HA H 26 4.494 4.265 0.229 2
1 276 . 1 1 A 26 26 ARG C C 26 175.755 176.097 -0.343 2
1 277 . 1 1 A 26 26 ARG CA C 26 56.046 56.126 -0.080 2
1 278 . 1 1 A 26 26 ARG CB C 26 30.783 30.609 0.174 2
1 281 . 1 1 A 26 26 ARG N N 26 124.843 122.368 2.475 2
1 282 . 1 1 A 27 27 ASN H H 27 9.100 8.659 0.441 2
1 283 . 1 1 A 27 27 ASN HA H 27 5.235 5.270 -0.035 2
1 288 . 1 1 A 27 27 ASN CA C 27 54.041 52.095 1.946 2
1 289 . 1 1 A 27 27 ASN CB C 27 46.737 43.031 3.706 2
1 290 . 1 1 A 27 27 ASN N N 27 123.044 121.496 1.548 2
1 292 . 1 1 A 28 28 TRP H H 28 7.835 8.326 -0.491 2
1 293 . 1 1 A 28 28 TRP HA H 28 4.105 4.770 -0.665 2
1 299 . 1 1 A 28 28 TRP N N 28 122.540 125.464 -2.924 2
1 300 . 1 1 A 29 29 PHE H H 29 8.755 8.644 0.111 2
1 301 . 1 1 A 29 29 PHE HA H 29 5.001 4.876 0.125 2
1 309 . 1 1 A 29 29 PHE CA C 29 56.692 56.599 0.093 2
1 310 . 1 1 A 29 29 PHE CB C 29 42.284 40.686 1.598 2
1 316 . 1 1 A 29 29 PHE N N 29 129.716 126.365 3.352 2
1 317 . 1 1 A 30 30 ALA H H 30 8.695 8.402 0.293 2
1 321 . 1 1 A 30 30 ALA C C 30 173.958 174.541 -0.583 2
1 322 . 1 1 A 30 30 ALA CA C 30 50.611 50.451 0.160 2
1 323 . 1 1 A 30 30 ALA CB C 30 22.570 22.063 0.507 2
1 324 . 1 1 A 31 31 LEU H H 31 8.815 8.171 0.644 2
1 325 . 1 1 A 31 31 LEU HA H 31 5.003 4.747 0.256 2
1 335 . 1 1 A 31 31 LEU C C 31 174.414 174.351 0.063 2
1 336 . 1 1 A 31 31 LEU CA C 31 53.240 53.549 -0.309 2
1 337 . 1 1 A 31 31 LEU CB C 31 44.783 44.705 0.078 2
1 341 . 1 1 A 31 31 LEU N N 31 124.610 124.180 0.430 2
1 342 . 1 1 A 32 32 TRP H H 32 9.045 8.717 0.328 2
1 343 . 1 1 A 32 32 TRP HA H 32 5.499 5.392 0.107 2
1 352 . 1 1 A 32 32 TRP C C 32 178.871 177.144 1.727 2
1 353 . 1 1 A 32 32 TRP CA C 32 55.552 55.965 -0.413 2
1 354 . 1 1 A 32 32 TRP CB C 32 32.346 32.111 0.235 2
1 360 . 1 1 A 32 32 TRP N N 32 128.500 126.911 1.589 2
1 362 . 1 1 A 33 33 LEU H H 33 9.246 9.185 0.061 2
1 363 . 1 1 A 33 33 LEU HA H 33 4.075 4.085 -0.010 2
1 373 . 1 1 A 33 33 LEU C C 33 176.859 178.359 -1.500 2
1 374 . 1 1 A 33 33 LEU CA C 33 57.035 57.699 -0.664 2
1 375 . 1 1 A 33 33 LEU CB C 33 42.651 41.476 1.175 2
1 379 . 1 1 A 33 33 LEU N N 33 123.838 125.727 -1.889 2
1 380 . 1 1 A 34 34 ASP H H 34 7.536 8.008 -0.472 2
1 381 . 1 1 A 34 34 ASP HA H 34 4.395 4.590 -0.195 2
1 384 . 1 1 A 34 34 ASP C C 34 177.113 176.515 0.598 2
1 385 . 1 1 A 34 34 ASP CA C 34 53.805 54.331 -0.526 2
1 386 . 1 1 A 34 34 ASP CB C 34 39.625 41.086 -1.461 2
1 387 . 1 1 A 34 34 ASP N N 34 115.948 116.627 -0.679 2
1 388 . 1 1 A 35 35 GLY H H 35 8.264 8.736 -0.472 2
1 389 . 1 1 A 35 35 GLY HA2 H 35 4.205 4.019 0.186 2
1 390 . 1 1 A 35 35 GLY HA3 H 35 3.895 4.035 -0.140 2
1 391 . 1 1 A 35 35 GLY C C 35 173.898 173.865 0.033 2
1 392 . 1 1 A 35 35 GLY CA C 35 46.216 46.372 -0.156 2
1 393 . 1 1 A 35 35 GLY N N 35 106.508 108.618 -2.110 2
1 394 . 1 1 A 36 36 THR H H 36 8.035 7.621 0.414 2
1 395 . 1 1 A 36 36 THR HA H 36 5.123 5.113 0.010 2
1 400 . 1 1 A 36 36 THR C C 36 170.669 173.012 -2.343 2
1 401 . 1 1 A 36 36 THR CA C 36 60.588 59.449 1.139 2
1 402 . 1 1 A 36 36 THR CB C 36 72.314 72.659 -0.345 2
1 404 . 1 1 A 36 36 THR N N 36 112.047 110.005 2.042 2
1 405 . 1 1 A 37 37 LEU H H 37 9.344 9.313 0.031 2
1 406 . 1 1 A 37 37 LEU HA H 37 5.616 5.098 0.518 2
1 416 . 1 1 A 37 37 LEU C C 37 175.787 175.014 0.773 2
1 417 . 1 1 A 37 37 LEU CA C 37 52.799 53.807 -1.008 2
1 418 . 1 1 A 37 37 LEU CB C 37 46.698 44.736 1.962 2
1 422 . 1 1 A 37 37 LEU N N 37 122.915 124.198 -1.283 2
1 423 . 1 1 A 38 38 GLY H H 38 9.685 8.745 0.940 2
1 424 . 1 1 A 38 38 GLY HA2 H 38 5.074 4.063 1.011 2
1 425 . 1 1 A 38 38 GLY HA3 H 38 3.825 4.285 -0.460 2
1 426 . 1 1 A 38 38 GLY C C 38 172.258 172.263 -0.005 2
1 427 . 1 1 A 38 38 GLY CA C 38 43.676 44.132 -0.456 2
1 428 . 1 1 A 38 38 GLY N N 38 113.092 114.015 -0.923 2
1 429 . 1 1 A 39 39 TYR H H 39 7.362 7.883 -0.521 2
1 430 . 1 1 A 39 39 TYR HA H 39 5.251 5.595 -0.344 2
1 437 . 1 1 A 39 39 TYR C C 39 175.367 173.899 1.468 2
1 438 . 1 1 A 39 39 TYR CA C 39 54.282 55.091 -0.809 2
1 439 . 1 1 A 39 39 TYR CB C 39 37.774 40.583 -2.809 2
1 444 . 1 1 A 39 39 TYR N N 39 113.951 119.051 -5.100 2
1 445 . 1 1 A 40 40 TYR H H 40 9.315 8.940 0.375 2
1 446 . 1 1 A 40 40 TYR HA H 40 5.305 4.895 0.410 2
1 453 . 1 1 A 40 40 TYR C C 40 177.694 176.509 1.185 2
1 454 . 1 1 A 40 40 TYR CA C 40 57.185 57.068 0.117 2
1 455 . 1 1 A 40 40 TYR CB C 40 43.779 41.821 1.958 2
1 460 . 1 1 A 40 40 TYR N N 40 117.930 120.731 -2.801 2
1 461 . 1 1 A 41 41 HIS H H 41 8.658 8.952 -0.294 2
1 462 . 1 1 A 41 41 HIS HA H 41 4.654 4.360 0.294 2
1 467 . 1 1 A 41 41 HIS C C 41 174.858 174.978 -0.120 2
1 468 . 1 1 A 41 41 HIS CA C 41 59.159 59.380 -0.221 2
1 469 . 1 1 A 41 41 HIS CB C 41 31.094 30.004 1.090 2
1 472 . 1 1 A 41 41 HIS N N 41 121.927 121.407 0.520 2
1 473 . 1 1 A 42 42 ASP H H 42 8.095 7.906 0.189 2
1 474 . 1 1 A 42 42 ASP HA H 42 4.795 4.818 -0.023 2
1 477 . 1 1 A 42 42 ASP C C 42 175.052 176.436 -1.384 2
1 478 . 1 1 A 42 42 ASP CA C 42 53.155 52.393 0.762 2
1 479 . 1 1 A 42 42 ASP CB C 42 41.860 43.264 -1.404 2
1 480 . 1 1 A 42 42 ASP N N 42 112.020 116.249 -4.229 2
1 481 . 1 1 A 43 43 GLU H H 43 8.899 8.817 0.082 2
1 482 . 1 1 A 43 43 GLU C C 43 176.336 176.770 -0.434 2
1 483 . 1 1 A 43 43 GLU CA C 43 57.021 58.803 -1.782 2
1 484 . 1 1 A 43 43 GLU CB C 43 27.493 28.834 -1.341 2
1 485 . 1 1 A 43 43 GLU N N 43 116.402 120.477 -4.075 2
1 486 . 1 1 A 44 44 THR H H 44 8.093 7.590 0.503 2
1 487 . 1 1 A 44 44 THR HA H 44 3.915 4.206 -0.291 2
1 492 . 1 1 A 44 44 THR CA C 44 63.143 61.769 1.374 2
1 493 . 1 1 A 44 44 THR CB C 44 69.620 69.019 0.601 2
1 495 . 1 1 A 44 44 THR N N 44 111.376 111.259 0.117 2
1 496 . 1 1 A 45 45 ALA H H 45 7.815 8.322 -0.507 2
1 497 . 1 1 A 45 45 ALA HA H 45 3.430 3.806 -0.376 2
1 501 . 1 1 A 45 45 ALA C C 45 175.091 177.204 -2.113 2
1 502 . 1 1 A 45 45 ALA CA C 45 53.434 51.807 1.627 2
1 503 . 1 1 A 45 45 ALA CB C 45 15.567 17.496 -1.929 2
1 504 . 1 1 A 46 46 GLN H H 46 7.869 8.293 -0.424 2
1 505 . 1 1 A 46 46 GLN HA H 46 4.238 4.484 -0.246 2
1 512 . 1 1 A 46 46 GLN C C 46 176.190 175.896 0.294 2
1 513 . 1 1 A 46 46 GLN CA C 46 56.929 56.825 0.104 2
1 514 . 1 1 A 46 46 GLN CB C 46 30.454 30.358 0.096 2
1 516 . 1 1 A 46 46 GLN N N 46 115.953 119.670 -3.717 2
1 518 . 1 1 A 47 47 ASP H H 47 8.326 8.097 0.229 2
1 519 . 1 1 A 47 47 ASP HA H 47 4.954 4.838 0.116 2
1 522 . 1 1 A 47 47 ASP C C 47 173.846 175.215 -1.369 2
1 523 . 1 1 A 47 47 ASP CA C 47 52.993 53.073 -0.080 2
1 524 . 1 1 A 47 47 ASP CB C 47 41.558 40.600 0.958 2
1 525 . 1 1 A 47 47 ASP N N 47 119.830 119.404 0.426 2
1 526 . 1 1 A 48 48 GLU H H 48 8.756 8.386 0.370 2
1 527 . 1 1 A 48 48 GLU HA H 48 3.785 3.794 -0.009 2
1 532 . 1 1 A 48 48 GLU C C 48 175.892 176.593 -0.701 2
1 533 . 1 1 A 48 48 GLU CA C 48 56.470 56.697 -0.227 2
1 534 . 1 1 A 48 48 GLU CB C 48 32.264 30.204 2.060 2
1 536 . 1 1 A 48 48 GLU N N 48 125.923 124.429 1.494 2
1 537 . 1 1 A 49 49 GLU H H 49 8.945 8.350 0.595 2
1 538 . 1 1 A 49 49 GLU HA H 49 4.164 4.208 -0.044 2
1 543 . 1 1 A 49 49 GLU C C 49 176.040 175.706 0.334 2
1 544 . 1 1 A 49 49 GLU CA C 49 58.447 58.258 0.189 2
1 545 . 1 1 A 49 49 GLU CB C 49 30.207 30.714 -0.507 2
1 547 . 1 1 A 49 49 GLU N N 49 129.751 126.190 3.561 2
1 548 . 1 1 A 50 50 ASP H H 50 6.736 7.027 -0.291 2
1 549 . 1 1 A 50 50 ASP HA H 50 4.355 4.810 -0.455 2
1 552 . 1 1 A 50 50 ASP C C 50 172.562 173.428 -0.865 2
1 553 . 1 1 A 50 50 ASP CA C 50 52.729 53.207 -0.478 2
1 554 . 1 1 A 50 50 ASP CB C 50 43.737 44.160 -0.424 2
1 555 . 1 1 A 50 50 ASP N N 50 113.574 116.119 -2.545 2
1 556 . 1 1 A 51 51 ARG H H 51 8.532 8.583 -0.051 2
1 557 . 1 1 A 51 51 ARG HA H 51 5.005 4.915 0.090 2
1 565 . 1 1 A 51 51 ARG C C 51 174.656 174.530 0.126 2
1 566 . 1 1 A 51 51 ARG CA C 51 55.605 55.418 0.187 2
1 567 . 1 1 A 51 51 ARG CB C 51 33.520 33.978 -0.458 2
1 570 . 1 1 A 51 51 ARG N N 51 117.888 122.445 -4.557 2
1 572 . 1 1 A 52 52 VAL H H 52 9.155 9.198 -0.043 2
1 573 . 1 1 A 52 52 VAL HA H 52 4.616 4.977 -0.361 2
1 581 . 1 1 A 52 52 VAL C C 52 174.710 175.208 -0.498 2
1 582 . 1 1 A 52 52 VAL CA C 52 59.382 59.907 -0.525 2
1 583 . 1 1 A 52 52 VAL CB C 52 35.266 34.668 0.598 2
1 586 . 1 1 A 52 52 VAL N N 52 121.629 121.672 -0.043 2
1 587 . 1 1 A 53 53 VAL H H 53 8.956 9.006 -0.050 2
1 588 . 1 1 A 53 53 VAL HA H 53 3.745 4.190 -0.445 2
1 596 . 1 1 A 53 53 VAL C C 53 174.610 175.681 -1.071 2
1 597 . 1 1 A 53 53 VAL CA C 53 64.676 63.176 1.500 2
1 598 . 1 1 A 53 53 VAL CB C 53 32.305 32.316 -0.012 2
1 601 . 1 1 A 53 53 VAL N N 53 125.547 124.430 1.117 2
1 602 . 1 1 A 54 54 ILE H H 54 8.705 9.028 -0.323 2
1 603 . 1 1 A 54 54 ILE HA H 54 4.324 4.289 0.035 2
1 613 . 1 1 A 54 54 ILE C C 54 176.747 176.315 0.432 2
1 614 . 1 1 A 54 54 ILE CA C 54 58.623 62.898 -4.275 2
1 615 . 1 1 A 54 54 ILE CB C 54 36.787 39.415 -2.628 2
1 619 . 1 1 A 54 54 ILE N N 54 126.147 126.385 -0.238 2
1 620 . 1 1 A 55 55 HIS H H 55 7.913 7.715 0.198 2
1 621 . 1 1 A 55 55 HIS HA H 55 4.626 4.264 0.362 2
1 626 . 1 1 A 55 55 HIS C C 55 174.365 175.691 -1.326 2
1 627 . 1 1 A 55 55 HIS CA C 55 57.917 57.097 0.820 2
1 628 . 1 1 A 55 55 HIS CB C 55 29.796 29.672 0.124 2
1 631 . 1 1 A 55 55 HIS N N 55 119.790 123.059 -3.269 2
1 632 . 1 1 A 56 56 PHE H H 56 9.382 8.659 0.723 2
1 633 . 1 1 A 56 56 PHE HA H 56 4.225 4.267 -0.042 2
1 641 . 1 1 A 56 56 PHE C C 56 175.781 175.081 0.700 2
1 642 . 1 1 A 56 56 PHE CA C 56 57.593 58.371 -0.778 2
1 643 . 1 1 A 56 56 PHE CB C 56 36.664 36.117 0.547 2
1 649 . 1 1 A 56 56 PHE N N 56 124.614 122.848 1.766 2
1 650 . 1 1 A 57 57 ASN H H 57 8.755 7.852 0.903 2
1 651 . 1 1 A 57 57 ASN HA H 57 5.319 5.061 0.258 2
1 656 . 1 1 A 57 57 ASN C C 57 175.317 175.313 0.004 2
1 657 . 1 1 A 57 57 ASN CA C 57 52.129 53.581 -1.452 2
1 658 . 1 1 A 57 57 ASN CB C 57 41.640 40.851 0.789 2
1 659 . 1 1 A 57 57 ASN N N 57 114.893 116.422 -1.529 2
1 661 . 1 1 A 58 58 VAL H H 58 8.606 7.425 1.181 2
1 662 . 1 1 A 58 58 VAL HA H 58 4.138 4.473 -0.335 2
1 670 . 1 1 A 58 58 VAL C C 58 175.486 176.046 -0.560 2
1 671 . 1 1 A 58 58 VAL CA C 58 63.035 62.877 0.158 2
1 672 . 1 1 A 58 58 VAL CB C 58 32.733 31.441 1.292 2
1 675 . 1 1 A 58 58 VAL N N 58 121.476 119.297 2.179 2
1 676 . 1 1 A 59 59 ARG H H 59 9.233 8.999 0.234 2
1 677 . 1 1 A 59 59 ARG HA H 59 4.184 4.224 -0.040 2
1 684 . 1 1 A 59 59 ARG C C 59 175.572 175.432 0.140 2
1 685 . 1 1 A 59 59 ARG CA C 59 58.093 57.716 0.377 2
1 686 . 1 1 A 59 59 ARG CB C 59 31.236 31.365 -0.129 2
1 689 . 1 1 A 59 59 ARG N N 59 128.965 129.618 -0.653 2
1 690 . 1 1 A 60 60 ASP H H 60 7.745 7.751 -0.006 2
1 691 . 1 1 A 60 60 ASP HA H 60 4.485 5.025 -0.540 2
1 694 . 1 1 A 60 60 ASP C C 60 173.047 173.882 -0.835 2
1 695 . 1 1 A 60 60 ASP CA C 60 53.911 53.318 0.593 2
1 696 . 1 1 A 60 60 ASP CB C 60 42.874 44.111 -1.237 2
1 697 . 1 1 A 60 60 ASP N N 60 113.170 116.202 -3.032 2
1 698 . 1 1 A 61 61 ILE H H 61 8.398 8.540 -0.142 2
1 699 . 1 1 A 61 61 ILE HA H 61 5.055 4.964 0.091 2
1 709 . 1 1 A 61 61 ILE C C 61 174.897 174.413 0.484 2
1 710 . 1 1 A 61 61 ILE CA C 61 60.511 60.457 0.054 2
1 711 . 1 1 A 61 61 ILE CB C 61 41.558 40.958 0.600 2
1 715 . 1 1 A 61 61 ILE N N 61 118.375 121.106 -2.731 2
1 716 . 1 1 A 62 62 LYS H H 62 8.619 8.883 -0.264 2
1 717 . 1 1 A 62 62 LYS HA H 62 4.711 5.101 -0.390 2
1 726 . 1 1 A 62 62 LYS C C 62 174.636 175.651 -1.015 2
1 727 . 1 1 A 62 62 LYS CA C 62 53.947 54.984 -1.037 2
1 728 . 1 1 A 62 62 LYS CB C 62 35.677 35.164 0.513 2
1 732 . 1 1 A 62 62 LYS N N 62 128.701 126.846 1.855 2
1 733 . 1 1 A 63 63 VAL H H 63 8.946 8.678 0.268 2
1 734 . 1 1 A 63 63 VAL HA H 63 5.073 4.702 0.371 2
1 742 . 1 1 A 63 63 VAL C C 63 177.772 176.202 1.570 2
1 743 . 1 1 A 63 63 VAL CA C 63 59.734 60.895 -1.161 2
1 744 . 1 1 A 63 63 VAL CB C 63 36.210 34.661 1.548 2
1 747 . 1 1 A 63 63 VAL N N 63 120.053 122.417 -2.364 2
1 748 . 1 1 A 64 64 GLY H H 64 9.804 8.911 0.893 2
1 749 . 1 1 A 64 64 GLY HA2 H 64 4.415 3.939 0.476 2
1 750 . 1 1 A 64 64 GLY HA3 H 64 3.906 3.940 -0.034 2
1 751 . 1 1 A 64 64 GLY C C 64 176.864 175.324 1.540 2
1 752 . 1 1 A 64 64 GLY CA C 64 47.063 47.012 0.051 2
1 753 . 1 1 A 64 64 GLY N N 64 118.354 114.537 3.817 2
1 754 . 1 1 A 65 65 GLN H H 65 9.045 8.840 0.205 2
1 755 . 1 1 A 65 65 GLN HA H 65 3.944 4.036 -0.092 2
1 762 . 1 1 A 65 65 GLN C C 65 176.698 178.174 -1.476 2
1 763 . 1 1 A 65 65 GLN CA C 65 57.793 58.937 -1.144 2
1 764 . 1 1 A 65 65 GLN CB C 65 27.822 28.541 -0.719 2
1 766 . 1 1 A 65 65 GLN N N 65 124.600 125.027 -0.427 2
1 768 . 1 1 A 66 66 GLU H H 66 7.886 7.871 0.015 2
1 769 . 1 1 A 66 66 GLU HA H 66 4.145 4.061 0.084 2
1 774 . 1 1 A 66 66 GLU C C 66 178.049 177.454 0.595 2
1 775 . 1 1 A 66 66 GLU CA C 66 57.564 59.504 -1.940 2
1 776 . 1 1 A 66 66 GLU CB C 66 31.236 29.285 1.951 2
1 778 . 1 1 A 66 66 GLU N N 66 116.486 118.615 -2.129 2
1 779 . 1 1 A 67 67 CYS H H 67 8.015 7.805 0.210 2
1 780 . 1 1 A 67 67 CYS HA H 67 4.331 4.374 -0.043 2
1 783 . 1 1 A 67 67 CYS C C 67 175.278 174.687 0.591 2
1 784 . 1 1 A 67 67 CYS CA C 67 58.817 59.730 -0.913 2
1 785 . 1 1 A 67 67 CYS CB C 67 26.342 28.186 -1.844 2
1 786 . 1 1 A 67 67 CYS N N 67 119.526 118.368 1.158 2
1 787 . 1 1 A 68 68 GLN H H 68 7.983 8.709 -0.726 2
1 788 . 1 1 A 68 68 GLN HA H 68 4.199 4.535 -0.336 2
1 795 . 1 1 A 68 68 GLN C C 68 175.866 175.785 0.081 2
1 796 . 1 1 A 68 68 GLN CA C 68 56.399 55.805 0.594 2
1 797 . 1 1 A 68 68 GLN CB C 68 29.837 30.224 -0.387 2
1 799 . 1 1 A 68 68 GLN N N 68 120.826 123.100 -2.274 2
1 801 . 1 1 A 69 69 ASP H H 69 8.755 8.496 0.259 2
1 802 . 1 1 A 69 69 ASP HA H 69 4.395 4.511 -0.116 2
1 805 . 1 1 A 69 69 ASP C C 69 174.652 175.376 -0.725 2
1 806 . 1 1 A 69 69 ASP CA C 69 54.546 54.638 -0.092 2
1 807 . 1 1 A 69 69 ASP CB C 69 39.954 40.567 -0.613 2
1 808 . 1 1 A 69 69 ASP N N 69 117.691 119.456 -1.765 2
1 809 . 1 1 A 70 70 VAL H H 70 7.245 7.571 -0.326 2
1 810 . 1 1 A 70 70 VAL HA H 70 4.173 4.449 -0.276 2
1 818 . 1 1 A 70 70 VAL C C 70 173.502 174.724 -1.222 2
1 819 . 1 1 A 70 70 VAL CA C 70 60.502 61.394 -0.892 2
1 820 . 1 1 A 70 70 VAL CB C 70 34.397 34.133 0.264 2
1 823 . 1 1 A 70 70 VAL N N 70 116.632 119.261 -2.629 2
1 824 . 1 1 A 71 71 GLN H H 71 8.513 8.802 -0.289 2
1 825 . 1 1 A 71 71 GLN HA H 71 4.758 4.940 -0.182 2
1 832 . 1 1 A 71 71 GLN C C 71 173.404 174.217 -0.813 2
1 833 . 1 1 A 71 71 GLN CA C 71 52.093 52.840 -0.747 2
1 834 . 1 1 A 71 71 GLN CB C 71 29.467 30.429 -0.962 2
1 836 . 1 1 A 71 71 GLN N N 71 125.361 126.601 -1.240 2
1 838 . 1 1 A 72 72 PRO HA H 72 3.955 4.397 -0.442 2
1 845 . 1 1 A 72 72 PRO CA C 72 61.219 61.548 -0.329 2
1 846 . 1 1 A 72 72 PRO CB C 72 30.548 31.579 -1.031 2
1 849 . 1 1 A 73 73 PRO HA H 73 3.584 4.342 -0.758 2
1 856 . 1 1 A 73 73 PRO C C 73 175.005 176.185 -1.180 2
1 857 . 1 1 A 73 73 PRO CA C 73 61.764 62.042 -0.278 2
1 858 . 1 1 A 73 73 PRO CB C 73 30.080 31.807 -1.727 2
1 861 . 1 1 A 74 74 GLU H H 74 8.066 8.466 -0.400 2
1 862 . 1 1 A 74 74 GLU HA H 74 3.766 3.874 -0.108 2
1 867 . 1 1 A 74 74 GLU C C 74 177.415 177.084 0.331 2
1 868 . 1 1 A 74 74 GLU CA C 74 58.005 58.091 -0.086 2
1 869 . 1 1 A 74 74 GLU CB C 74 29.340 29.358 -0.018 2
1 871 . 1 1 A 74 74 GLU N N 74 120.425 122.066 -1.641 2
1 872 . 1 1 A 75 75 GLY H H 75 8.576 8.865 -0.289 2
1 873 . 1 1 A 75 75 GLY HA2 H 75 4.024 3.909 0.115 2
1 874 . 1 1 A 75 75 GLY HA3 H 75 3.568 3.934 -0.366 2
1 875 . 1 1 A 75 75 GLY C C 75 174.093 174.572 -0.479 2
1 876 . 1 1 A 75 75 GLY CA C 75 45.299 45.152 0.147 2
1 877 . 1 1 A 75 75 GLY N N 75 112.779 114.770 -1.991 2
1 878 . 1 1 A 76 76 ARG H H 76 7.791 7.609 0.182 2
1 879 . 1 1 A 76 76 ARG HA H 76 4.444 4.273 0.171 2
1 887 . 1 1 A 76 76 ARG C C 76 175.188 174.877 0.311 2
1 888 . 1 1 A 76 76 ARG CA C 76 54.617 56.150 -1.533 2
1 889 . 1 1 A 76 76 ARG CB C 76 31.030 31.695 -0.665 2
1 892 . 1 1 A 76 76 ARG N N 76 121.088 121.336 -0.248 2
1 894 . 1 1 A 77 77 SER H H 77 8.235 8.475 -0.240 2
1 895 . 1 1 A 77 77 SER HA H 77 4.405 4.797 -0.392 2
1 898 . 1 1 A 77 77 SER C C 77 176.069 174.472 1.597 2
1 899 . 1 1 A 77 77 SER CA C 77 56.805 56.772 0.033 2
1 900 . 1 1 A 77 77 SER CB C 77 64.136 66.254 -2.118 2
1 901 . 1 1 A 77 77 SER N N 77 113.991 115.737 -1.746 2
1 902 . 1 1 A 78 78 ARG H H 78 8.745 8.905 -0.160 2
1 903 . 1 1 A 78 78 ARG HA H 78 3.774 4.046 -0.272 2
1 909 . 1 1 A 78 78 ARG C C 78 176.758 177.421 -0.662 2
1 910 . 1 1 A 78 78 ARG CA C 78 58.341 59.221 -0.880 2
1 911 . 1 1 A 78 78 ARG CB C 78 30.043 30.103 -0.060 2
1 914 . 1 1 A 78 78 ARG N N 78 122.262 124.530 -2.268 2
1 915 . 1 1 A 79 79 ASP H H 79 8.106 8.237 -0.131 2
1 916 . 1 1 A 79 79 ASP HA H 79 4.175 4.442 -0.267 2
1 919 . 1 1 A 79 79 ASP C C 79 175.579 178.510 -2.930 2
1 920 . 1 1 A 79 79 ASP CA C 79 57.159 56.156 1.003 2
1 921 . 1 1 A 79 79 ASP CB C 79 40.900 40.563 0.337 2
1 922 . 1 1 A 79 79 ASP N N 79 115.963 118.903 -2.940 2
1 923 . 1 1 A 80 80 GLY H H 80 7.305 7.960 -0.655 2
1 924 . 1 1 A 80 80 GLY HA2 H 80 4.047 3.888 0.159 2
1 925 . 1 1 A 80 80 GLY HA3 H 80 3.387 3.914 -0.527 2
1 926 . 1 1 A 80 80 GLY C C 80 174.263 174.743 -0.480 2
1 927 . 1 1 A 80 80 GLY CA C 80 44.276 46.139 -1.863 2
1 928 . 1 1 A 80 80 GLY N N 80 101.592 107.614 -6.022 2
1 929 . 1 1 A 81 81 LEU H H 81 7.307 7.380 -0.073 2
1 930 . 1 1 A 81 81 LEU HA H 81 4.494 4.212 0.282 2
1 940 . 1 1 A 81 81 LEU C C 81 176.212 176.438 -0.226 2
1 941 . 1 1 A 81 81 LEU CA C 81 56.346 55.819 0.527 2
1 942 . 1 1 A 81 81 LEU CB C 81 44.025 42.353 1.672 2
1 946 . 1 1 A 81 81 LEU N N 81 121.062 121.815 -0.753 2
1 947 . 1 1 A 82 82 LEU H H 82 8.286 8.626 -0.340 2
1 948 . 1 1 A 82 82 LEU HA H 82 5.260 4.978 0.282 2
1 958 . 1 1 A 82 82 LEU C C 82 175.122 174.557 0.565 2
1 959 . 1 1 A 82 82 LEU CA C 82 55.334 54.570 0.764 2
1 960 . 1 1 A 82 82 LEU CB C 82 46.064 45.365 0.699 2
1 964 . 1 1 A 82 82 LEU N N 82 118.524 123.897 -5.373 2
1 965 . 1 1 A 83 83 THR H H 83 9.095 8.975 0.120 2
1 966 . 1 1 A 83 83 THR HA H 83 5.305 5.304 0.001 2
1 971 . 1 1 A 83 83 THR C C 83 173.754 173.572 0.182 2
1 972 . 1 1 A 83 83 THR CA C 83 61.076 61.681 -0.605 2
1 973 . 1 1 A 83 83 THR CB C 83 71.268 70.520 0.748 2
1 975 . 1 1 A 83 83 THR N N 83 120.894 123.114 -2.220 2
1 976 . 1 1 A 84 84 VAL H H 84 9.175 8.886 0.289 2
1 977 . 1 1 A 84 84 VAL HA H 84 4.205 4.570 -0.365 2
1 985 . 1 1 A 84 84 VAL C C 84 173.741 174.703 -0.962 2
1 986 . 1 1 A 84 84 VAL CA C 84 61.182 60.891 0.291 2
1 987 . 1 1 A 84 84 VAL CB C 84 32.921 34.023 -1.102 2
1 990 . 1 1 A 84 84 VAL N N 84 127.342 127.053 0.289 2
1 991 . 1 1 A 85 85 ASN H H 85 8.597 9.046 -0.449 2
1 992 . 1 1 A 85 85 ASN HA H 85 4.960 5.299 -0.339 2
1 997 . 1 1 A 85 85 ASN C C 85 174.440 174.247 0.193 2
1 998 . 1 1 A 85 85 ASN CA C 85 52.870 52.319 0.551 2
1 999 . 1 1 A 85 85 ASN CB C 85 39.214 40.887 -1.673 2
1 1000 . 1 1 A 85 85 ASN N N 85 125.999 125.386 0.613 2
1 1002 . 1 1 A 86 86 LEU H H 86 8.283 8.749 -0.466 2
1 1003 . 1 1 A 86 86 LEU HA H 86 5.176 5.033 0.143 2
1 1013 . 1 1 A 86 86 LEU C C 86 178.644 177.630 1.014 2
1 1014 . 1 1 A 86 86 LEU CA C 86 53.700 53.327 0.373 2
1 1015 . 1 1 A 86 86 LEU CB C 86 42.298 43.974 -1.676 2
1 1019 . 1 1 A 86 86 LEU N N 86 125.763 124.269 1.494 2
1 1020 . 1 1 A 87 87 ARG H H 87 8.655 9.079 -0.424 2
1 1021 . 1 1 A 87 87 ARG HA H 87 3.905 4.010 -0.104 2
1 1028 . 1 1 A 87 87 ARG C C 87 177.223 177.983 -0.760 2
1 1029 . 1 1 A 87 87 ARG CA C 87 59.717 59.434 0.283 2
1 1030 . 1 1 A 87 87 ARG CB C 87 29.280 30.085 -0.805 2
1 1033 . 1 1 A 87 87 ARG N N 87 123.105 122.604 0.501 2
1 1034 . 1 1 A 88 88 GLU H H 88 8.525 8.029 0.496 2
1 1035 . 1 1 A 88 88 GLU HA H 88 4.515 4.224 0.291 2
1 1040 . 1 1 A 88 88 GLU C C 88 175.762 176.889 -1.127 2
1 1041 . 1 1 A 88 88 GLU CA C 88 55.852 57.181 -1.329 2
1 1042 . 1 1 A 88 88 GLU CB C 88 30.249 29.933 0.316 2
1 1044 . 1 1 A 88 88 GLU N N 88 117.722 116.521 1.201 2
1 1045 . 1 1 A 89 89 GLY H H 89 8.063 8.154 -0.091 2
1 1046 . 1 1 A 89 89 GLY HA2 H 89 3.735 4.028 -0.293 2
1 1047 . 1 1 A 89 89 GLY HA3 H 89 4.536 4.029 0.506 2
1 1048 . 1 1 A 89 89 GLY C C 89 173.864 173.764 0.100 2
1 1049 . 1 1 A 89 89 GLY CA C 89 44.222 45.744 -1.522 2
1 1050 . 1 1 A 89 89 GLY N N 89 110.616 109.891 0.725 2
1 1051 . 1 1 A 90 90 SER H H 90 8.094 7.756 0.338 2
1 1052 . 1 1 A 90 90 SER HA H 90 4.484 4.854 -0.370 2
1 1055 . 1 1 A 90 90 SER C C 90 172.813 173.007 -0.194 2
1 1056 . 1 1 A 90 90 SER CA C 90 58.552 57.700 0.852 2
1 1057 . 1 1 A 90 90 SER CB C 90 63.915 65.864 -1.949 2
1 1058 . 1 1 A 90 90 SER N N 90 116.620 114.636 1.984 2
1 1059 . 1 1 A 91 91 ARG H H 91 8.285 8.663 -0.378 2
1 1060 . 1 1 A 91 91 ARG HA H 91 4.725 5.094 -0.369 2
1 1067 . 1 1 A 91 91 ARG C C 91 175.511 175.100 0.411 2
1 1068 . 1 1 A 91 91 ARG CA C 91 55.870 54.613 1.257 2
1 1069 . 1 1 A 91 91 ARG CB C 91 32.058 32.903 -0.845 2
1 1072 . 1 1 A 91 91 ARG N N 91 121.045 122.541 -1.496 2
1 1073 . 1 1 A 92 92 LEU H H 92 8.485 9.248 -0.763 2
1 1074 . 1 1 A 92 92 LEU HA H 92 4.555 4.828 -0.273 2
1 1084 . 1 1 A 92 92 LEU C C 92 174.815 175.596 -0.781 2
1 1085 . 1 1 A 92 92 LEU CA C 92 53.629 53.456 0.173 2
1 1086 . 1 1 A 92 92 LEU CB C 92 44.066 43.380 0.686 2
1 1090 . 1 1 A 92 92 LEU N N 92 123.633 122.726 0.907 2
1 1091 . 1 1 A 93 93 HIS H H 93 8.871 9.008 -0.137 2
1 1092 . 1 1 A 93 93 HIS HA H 93 5.135 4.964 0.171 2
1 1097 . 1 1 A 93 93 HIS C C 93 173.251 175.022 -1.771 2
1 1098 . 1 1 A 93 93 HIS CA C 93 56.135 55.760 0.375 2
1 1099 . 1 1 A 93 93 HIS CB C 93 30.701 29.915 0.786 2
1 1101 . 1 1 A 93 93 HIS N N 93 124.492 123.763 0.729 2
1 1102 . 1 1 A 94 94 LEU H H 94 9.105 9.093 0.012 2
1 1103 . 1 1 A 94 94 LEU HA H 94 5.940 5.528 0.412 2
1 1113 . 1 1 A 94 94 LEU C C 94 177.396 175.678 1.718 2
1 1114 . 1 1 A 94 94 LEU CA C 94 52.552 53.492 -0.940 2
1 1115 . 1 1 A 94 94 LEU CB C 94 45.465 46.466 -1.001 2
1 1119 . 1 1 A 94 94 LEU N N 94 122.911 124.779 -1.868 2
1 1120 . 1 1 A 95 95 CYS H H 95 8.953 8.624 0.329 2
1 1121 . 1 1 A 95 95 CYS HA H 95 4.863 5.040 -0.177 2
1 1124 . 1 1 A 95 95 CYS C C 95 172.585 173.541 -0.956 2
1 1125 . 1 1 A 95 95 CYS CA C 95 59.964 57.971 1.993 2
1 1126 . 1 1 A 95 95 CYS CB C 95 29.220 30.961 -1.741 2
1 1127 . 1 1 A 95 95 CYS N N 95 118.920 119.361 -0.441 2
1 1128 . 1 1 A 96 96 ALA H H 96 9.465 8.714 0.751 2
1 1129 . 1 1 A 96 96 ALA HA H 96 5.035 4.753 0.282 2
1 1133 . 1 1 A 96 96 ALA C C 96 177.396 178.597 -1.201 2
1 1134 . 1 1 A 96 96 ALA CA C 96 50.205 50.967 -0.762 2
1 1135 . 1 1 A 96 96 ALA CB C 96 21.571 21.020 0.551 2
1 1136 . 1 1 A 96 96 ALA N N 96 132.924 128.302 4.622 2
1 1137 . 1 1 A 97 97 GLU H H 97 9.636 8.834 0.802 2
1 1138 . 1 1 A 97 97 GLU HA H 97 4.344 4.269 0.075 2
1 1143 . 1 1 A 97 97 GLU C C 97 176.882 176.547 0.335 2
1 1144 . 1 1 A 97 97 GLU CA C 97 58.040 58.764 -0.724 2
1 1145 . 1 1 A 97 97 GLU CB C 97 30.207 30.133 0.074 2
1 1147 . 1 1 A 97 97 GLU N N 97 116.636 118.997 -2.361 2
1 1148 . 1 1 A 98 98 THR H H 98 7.155 7.706 -0.551 2
1 1149 . 1 1 A 98 98 THR HA H 98 4.684 4.668 0.016 2
1 1154 . 1 1 A 98 98 THR C C 98 174.259 174.768 -0.509 2
1 1155 . 1 1 A 98 98 THR CA C 98 58.323 59.677 -1.354 2
1 1156 . 1 1 A 98 98 THR CB C 98 73.529 72.365 1.164 2
1 1158 . 1 1 A 98 98 THR N N 98 102.167 110.676 -8.509 2
1 1159 . 1 1 A 99 99 ARG H H 99 9.025 8.899 0.126 2
1 1160 . 1 1 A 99 99 ARG HA H 99 4.056 4.118 -0.062 2
1 1167 . 1 1 A 99 99 ARG C C 99 177.995 178.015 -0.020 2
1 1168 . 1 1 A 99 99 ARG CA C 99 59.029 58.858 0.171 2
1 1169 . 1 1 A 99 99 ARG CB C 99 30.208 29.917 0.291 2
1 1172 . 1 1 A 99 99 ARG N N 99 122.747 120.678 2.068 2
1 1173 . 1 1 A 100 100 ASP H H 100 8.387 8.265 0.122 2
1 1174 . 1 1 A 100 100 ASP HA H 100 4.306 4.328 -0.022 2
1 1177 . 1 1 A 100 100 ASP C C 100 179.110 178.243 0.867 2
1 1178 . 1 1 A 100 100 ASP CA C 100 57.475 57.381 0.094 2
1 1179 . 1 1 A 100 100 ASP CB C 100 40.201 41.338 -1.137 2
1 1180 . 1 1 A 100 100 ASP N N 100 116.422 119.849 -3.427 2
1 1181 . 1 1 A 101 101 ASP H H 101 8.046 7.792 0.254 2
1 1182 . 1 1 A 101 101 ASP HA H 101 4.576 4.346 0.230 2
1 1185 . 1 1 A 101 101 ASP C C 101 177.751 178.666 -0.915 2
1 1186 . 1 1 A 101 101 ASP CA C 101 57.229 57.297 -0.068 2
1 1187 . 1 1 A 101 101 ASP CB C 101 42.093 40.474 1.619 2
1 1188 . 1 1 A 101 101 ASP N N 101 120.742 119.249 1.493 2
1 1189 . 1 1 A 102 102 ALA H H 102 7.674 7.668 0.006 2
1 1190 . 1 1 A 102 102 ALA HA H 102 4.084 4.206 -0.122 2
1 1194 . 1 1 A 102 102 ALA C C 102 179.609 179.927 -0.318 2
1 1195 . 1 1 A 102 102 ALA CA C 102 56.364 55.246 1.118 2
1 1196 . 1 1 A 102 102 ALA CB C 102 17.952 18.505 -0.553 2
1 1197 . 1 1 A 102 102 ALA N N 102 122.523 121.976 0.547 2
1 1198 . 1 1 A 103 103 ILE H H 103 8.499 8.161 0.338 2
1 1199 . 1 1 A 103 103 ILE HA H 103 3.681 3.690 -0.009 2
1 1209 . 1 1 A 103 103 ILE C C 103 178.622 178.004 0.618 2
1 1210 . 1 1 A 103 103 ILE CA C 103 64.182 65.427 -1.245 2
1 1211 . 1 1 A 103 103 ILE CB C 103 37.240 37.658 -0.418 2
1 1215 . 1 1 A 103 103 ILE N N 103 117.417 118.103 -0.686 2
1 1216 . 1 1 A 104 104 ALA H H 104 8.174 8.353 -0.179 2
1 1217 . 1 1 A 104 104 ALA HA H 104 4.095 4.006 0.089 2
1 1221 . 1 1 A 104 104 ALA C C 104 181.998 179.778 2.220 2
1 1222 . 1 1 A 104 104 ALA CA C 104 55.517 55.142 0.375 2
1 1223 . 1 1 A 104 104 ALA CB C 104 17.294 18.421 -1.127 2
1 1224 . 1 1 A 104 104 ALA N N 104 124.916 121.838 3.078 2
1 1225 . 1 1 A 105 105 TRP H H 105 8.365 7.934 0.431 2
1 1226 . 1 1 A 105 105 TRP HA H 105 4.025 4.428 -0.403 2
1 1235 . 1 1 A 105 105 TRP C C 105 177.969 178.734 -0.765 2
1 1236 . 1 1 A 105 105 TRP CA C 105 62.011 60.007 2.004 2
1 1237 . 1 1 A 105 105 TRP CB C 105 29.179 28.993 0.186 2
1 1243 . 1 1 A 105 105 TRP N N 105 119.726 118.303 1.423 2
1 1245 . 1 1 A 106 106 LYS H H 106 8.746 8.046 0.700 2
1 1246 . 1 1 A 106 106 LYS HA H 106 3.805 4.119 -0.314 2
1 1255 . 1 1 A 106 106 LYS C C 106 177.626 179.028 -1.402 2
1 1256 . 1 1 A 106 106 LYS CA C 106 60.865 59.483 1.381 2
1 1257 . 1 1 A 106 106 LYS CB C 106 31.606 32.110 -0.504 2
1 1261 . 1 1 A 106 106 LYS N N 106 120.565 120.392 0.173 2
1 1262 . 1 1 A 107 107 THR H H 107 8.714 7.924 0.790 2
1 1263 . 1 1 A 107 107 THR HA H 107 3.774 3.878 -0.104 2
1 1268 . 1 1 A 107 107 THR C C 107 176.238 176.143 0.095 2
1 1269 . 1 1 A 107 107 THR CA C 107 66.688 66.735 -0.047 2
1 1270 . 1 1 A 107 107 THR CB C 107 69.065 68.686 0.379 2
1 1272 . 1 1 A 107 107 THR N N 107 115.018 117.747 -2.729 2
1 1273 . 1 1 A 108 108 ALA H H 108 7.769 8.084 -0.315 2
1 1274 . 1 1 A 108 108 ALA HA H 108 4.094 4.054 0.040 2
1 1278 . 1 1 A 108 108 ALA C C 108 180.611 179.863 0.748 2
1 1279 . 1 1 A 108 108 ALA CA C 108 55.005 54.931 0.074 2
1 1280 . 1 1 A 108 108 ALA CB C 108 18.015 18.202 -0.187 2
1 1281 . 1 1 A 108 108 ALA N N 108 123.150 123.556 -0.406 2
1 1282 . 1 1 A 109 109 LEU H H 109 8.795 8.126 0.669 2
1 1283 . 1 1 A 109 109 LEU HA H 109 4.045 4.161 -0.116 2
1 1293 . 1 1 A 109 109 LEU C C 109 178.758 179.034 -0.276 2
1 1294 . 1 1 A 109 109 LEU CA C 109 58.093 57.708 0.385 2
1 1295 . 1 1 A 109 109 LEU CB C 109 42.298 42.123 0.175 2
1 1299 . 1 1 A 109 109 LEU N N 109 118.714 120.115 -1.401 2
1 1300 . 1 1 A 110 110 MET H H 110 8.582 8.521 0.061 2
1 1301 . 1 1 A 110 110 MET HA H 110 4.404 4.033 0.371 2
1 1309 . 1 1 A 110 110 MET C C 110 180.290 178.876 1.414 2
1 1310 . 1 1 A 110 110 MET CA C 110 56.876 58.824 -1.948 2
1 1311 . 1 1 A 110 110 MET CB C 110 30.002 32.324 -2.322 2
1 1314 . 1 1 A 110 110 MET N N 110 117.122 116.472 0.650 2
1 1315 . 1 1 A 111 111 GLU H H 111 8.062 7.923 0.139 2
1 1316 . 1 1 A 111 111 GLU HA H 111 4.126 4.012 0.114 2
1 1321 . 1 1 A 111 111 GLU C C 111 179.237 178.685 0.552 2
1 1322 . 1 1 A 111 111 GLU CA C 111 59.435 58.940 0.495 2
1 1323 . 1 1 A 111 111 GLU CB C 111 29.015 29.613 -0.598 2
1 1325 . 1 1 A 111 111 GLU N N 111 121.532 118.993 2.539 2
1 1326 . 1 1 A 112 112 ALA H H 112 7.975 7.759 0.216 2
1 1327 . 1 1 A 112 112 ALA HA H 112 4.265 4.084 0.181 2
1 1331 . 1 1 A 112 112 ALA C C 112 179.608 179.679 -0.071 2
1 1332 . 1 1 A 112 112 ALA CA C 112 54.158 54.905 -0.747 2
1 1333 . 1 1 A 112 112 ALA CB C 112 19.530 18.519 1.011 2
1 1334 . 1 1 A 112 112 ALA N N 112 121.838 122.496 -0.658 2
1 1335 . 1 1 A 113 113 ASN H H 113 8.115 8.372 -0.257 2
1 1336 . 1 1 A 113 113 ASN HA H 113 4.822 4.578 0.244 2
1 1341 . 1 1 A 113 113 ASN C C 113 176.296 175.881 0.415 2
1 1342 . 1 1 A 113 113 ASN CA C 113 56.311 56.054 0.257 2
1 1343 . 1 1 A 113 113 ASN CB C 113 40.283 38.789 1.494 2
1 1344 . 1 1 A 113 113 ASN N N 113 115.563 117.807 -2.244 2
1 1346 . 1 1 A 114 114 SER H H 114 7.365 7.807 -0.442 2
1 1347 . 1 1 A 114 114 SER HA H 114 4.545 3.892 0.653 2
1 1350 . 1 1 A 114 114 SER C C 114 174.126 172.655 1.471 2
1 1351 . 1 1 A 114 114 SER CA C 114 58.464 56.999 1.465 2
1 1352 . 1 1 A 114 114 SER CB C 114 64.400 63.507 0.893 2
1 1353 . 1 1 A 114 114 SER N N 114 108.652 111.239 -2.587 2
1 1354 . 1 1 A 115 115 THR H H 115 7.849 7.161 0.688 2
1 1355 . 1 1 A 115 115 THR HA H 115 4.599 4.874 -0.275 2
1 1360 . 1 1 A 115 115 THR C C 115 172.337 172.324 0.013 2
1 1361 . 1 1 A 115 115 THR CA C 115 60.817 59.145 1.672 2
1 1362 . 1 1 A 115 115 THR CB C 115 70.016 71.615 -1.599 2
1 1364 . 1 1 A 115 115 THR N N 115 118.885 116.161 2.724 2
1 1365 . 1 1 A 116 116 PRO HA H 116 4.404 4.759 -0.355 2
1 1372 . 1 1 A 116 116 PRO CA C 116 63.007 62.496 0.511 2
1 1373 . 1 1 A 116 116 PRO CB C 116 32.346 33.233 -0.887 2
1 1376 . 1 1 A 117 117 ALA H H 117 8.429 8.361 0.068 2
1 1377 . 1 1 A 117 117 ALA HA H 117 4.535 4.750 -0.215 2
1 1381 . 1 1 A 117 117 ALA CA C 117 50.359 49.870 0.489 2
1 1382 . 1 1 A 117 117 ALA CB C 117 18.069 20.826 -2.757 2
1 1383 . 1 1 A 117 117 ALA N N 117 125.693 122.450 3.243 2
1 1384 . 1 1 A 118 118 PRO HA H 118 4.377 4.497 -0.120 2
1 1391 . 1 1 A 118 118 PRO C C 118 176.656 176.499 0.157 2
1 1392 . 1 1 A 118 118 PRO CA C 118 63.105 64.160 -1.055 2
1 1393 . 1 1 A 118 118 PRO CB C 118 31.935 31.753 0.182 2
1 1396 . 1 1 A 119 119 ALA H H 119 8.430 7.752 0.678 2
1 1397 . 1 1 A 119 119 ALA HA H 119 4.255 4.383 -0.128 2
1 1401 . 1 1 A 119 119 ALA C C 119 178.416 177.104 1.312 2
1 1402 . 1 1 A 119 119 ALA CA C 119 52.744 52.499 0.245 2
1 1403 . 1 1 A 119 119 ALA CB C 119 19.186 20.280 -1.094 2
1 1404 . 1 1 A 119 119 ALA N N 119 124.565 121.401 3.164 2
1 1405 . 1 1 A 120 120 GLY H H 120 8.375 8.402 -0.027 2
1 1406 . 1 1 A 120 120 GLY HA2 H 120 3.934 4.154 -0.220 2
1 1407 . 1 1 A 120 120 GLY HA3 H 120 3.934 4.157 -0.223 2
1 1408 . 1 1 A 120 120 GLY C C 120 173.810 172.929 0.881 2
1 1409 . 1 1 A 120 120 GLY CA C 120 45.176 45.472 -0.296 2
1 1410 . 1 1 A 120 120 GLY N N 120 108.353 107.517 0.836 2
1 1411 . 1 1 A 121 121 ALA H H 121 8.116 8.373 -0.257 2
1 1412 . 1 1 A 121 121 ALA HA H 121 4.379 4.682 -0.303 2
1 1416 . 1 1 A 121 121 ALA C C 121 177.908 176.591 1.317 2
1 1417 . 1 1 A 121 121 ALA CA C 121 52.446 51.786 0.660 2
1 1418 . 1 1 A 121 121 ALA CB C 121 19.433 21.098 -1.665 2
1 1419 . 1 1 A 121 121 ALA N N 121 123.561 124.413 -0.852 2
1 1420 . 1 1 A 122 122 THR H H 122 8.212 8.571 -0.359 2
1 1421 . 1 1 A 122 122 THR C C 122 174.317 173.732 0.585 2
1 1422 . 1 1 A 122 122 THR CA C 122 61.888 61.554 0.334 2
1 1423 . 1 1 A 122 122 THR CB C 122 69.648 70.243 -0.595 2
1 1425 . 1 1 A 122 122 THR N N 122 114.319 114.493 -0.174 2
1 1426 . 1 1 A 123 123 VAL H H 123 8.222 8.409 -0.187 2
1 1427 . 1 1 A 123 123 VAL HA H 123 4.455 4.552 -0.097 2
1 1435 . 1 1 A 123 123 VAL C C 123 174.373 174.635 -0.262 2
1 1436 . 1 1 A 123 123 VAL CA C 123 59.717 59.421 0.296 2
1 1437 . 1 1 A 123 123 VAL CB C 123 32.593 33.323 -0.730 2
1 1440 . 1 1 A 123 123 VAL N N 123 124.311 123.082 1.229 2
1 1441 . 1 1 A 124 124 PRO HA H 124 4.403 4.592 -0.189 2
1 1446 . 1 1 A 124 124 PRO C C 124 176.873 176.427 0.446 2
1 1447 . 1 1 A 124 124 PRO CA C 124 63.211 62.860 0.351 2
1 1448 . 1 1 A 124 124 PRO CB C 124 32.017 32.048 -0.031 2
1 1451 . 1 1 A 125 125 SER H H 125 8.426 8.336 0.090 2
1 1452 . 1 1 A 125 125 SER HA H 125 4.448 4.599 -0.151 2
1 1455 . 1 1 A 125 125 SER C C 125 174.598 174.158 0.440 2
1 1456 . 1 1 A 125 125 SER CA C 125 58.341 58.544 -0.203 2
1 1457 . 1 1 A 125 125 SER CB C 125 64.054 64.463 -0.409 2
1 1458 . 1 1 A 125 125 SER N N 125 116.463 115.668 0.795 2
1 1459 . 1 1 A 126 126 GLY H H 126 8.233 8.334 -0.101 2
1 1460 . 1 1 A 126 126 GLY C C 126 171.756 173.303 -1.547 2
1 1461 . 1 1 A 126 126 GLY CA C 126 44.611 45.297 -0.686 2
stop_
save_