data_10293_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10293
_Entry.PDB_ID 2DMQ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.959 3.935 0.024 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.959 3.936 0.023 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.210 173.408 0.802 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.270 46.848 -1.578 1
1 5 . 1 1 1 A 8 8 LYS H H 8 7.993 8.006 -0.013 1
1 6 . 1 1 1 A 8 8 LYS C C 8 176.347 175.047 1.300 1
1 7 . 1 1 1 A 8 8 LYS CA C 8 62.168 54.721 7.447 1
1 8 . 1 1 1 A 8 8 LYS CB C 8 32.974 34.625 -1.651 1
1 9 . 1 1 1 A 8 8 LYS N N 8 118.865 122.540 -3.675 1
1 10 . 1 1 1 A 12 12 THR HA H 12 4.227 4.845 -0.618 1
1 15 . 1 1 1 A 12 12 THR CA C 12 61.902 59.734 2.168 1
1 16 . 1 1 1 A 12 12 THR CB C 12 69.926 71.763 -1.837 1
1 18 . 1 1 1 A 13 13 SER HA H 13 4.401 4.734 -0.333 1
1 21 . 1 1 1 A 13 13 SER C C 13 173.627 172.999 0.628 1
1 22 . 1 1 1 A 13 13 SER CA C 13 57.513 58.175 -0.662 1
1 23 . 1 1 1 A 13 13 SER CB C 13 63.880 64.361 -0.481 1
1 24 . 1 1 1 A 14 14 PHE H H 14 8.197 8.740 -0.543 1
1 25 . 1 1 1 A 14 14 PHE HA H 14 4.701 4.990 -0.289 1
1 33 . 1 1 1 A 14 14 PHE C C 14 176.177 174.892 1.285 1
1 34 . 1 1 1 A 14 14 PHE CA C 14 57.539 56.368 1.171 1
1 35 . 1 1 1 A 14 14 PHE CB C 14 41.041 43.869 -2.828 1
1 41 . 1 1 1 A 14 14 PHE N N 14 121.084 121.522 -0.438 1
1 42 . 1 1 1 A 15 15 LYS H H 15 8.548 8.721 -0.173 1
1 43 . 1 1 1 A 15 15 LYS HA H 15 4.449 4.532 -0.083 1
1 51 . 1 1 1 A 15 15 LYS C C 15 178.532 177.442 1.090 1
1 52 . 1 1 1 A 15 15 LYS CA C 15 55.291 55.054 0.237 1
1 53 . 1 1 1 A 15 15 LYS CB C 15 33.993 33.888 0.105 1
1 57 . 1 1 1 A 15 15 LYS N N 15 120.600 120.246 0.354 1
1 58 . 1 1 1 A 16 16 HIS HA H 16 4.238 4.544 -0.306 1
1 62 . 1 1 1 A 16 16 HIS CA C 16 60.805 57.880 2.925 1
1 63 . 1 1 1 A 16 16 HIS CB C 16 30.416 30.248 0.168 1
1 65 . 1 1 1 A 17 17 HIS HA H 17 4.218 4.247 -0.029 1
1 69 . 1 1 1 A 17 17 HIS C C 17 177.731 177.683 0.048 1
1 70 . 1 1 1 A 17 17 HIS CA C 17 58.994 59.226 -0.232 1
1 71 . 1 1 1 A 17 17 HIS CB C 17 29.627 29.995 -0.368 1
1 73 . 1 1 1 A 18 18 GLN H H 18 6.563 8.264 -1.701 1
1 74 . 1 1 1 A 18 18 GLN HA H 18 3.747 3.992 -0.245 1
1 81 . 1 1 1 A 18 18 GLN C C 18 177.051 178.126 -1.075 1
1 82 . 1 1 1 A 18 18 GLN CA C 18 58.148 58.431 -0.283 1
1 83 . 1 1 1 A 18 18 GLN CB C 18 27.752 28.505 -0.753 1
1 85 . 1 1 1 A 18 18 GLN N N 18 119.371 117.318 2.053 1
1 87 . 1 1 1 A 19 19 LEU H H 19 7.532 8.193 -0.661 1
1 88 . 1 1 1 A 19 19 LEU HA H 19 3.570 3.641 -0.071 1
1 98 . 1 1 1 A 19 19 LEU C C 19 178.362 178.463 -0.101 1
1 99 . 1 1 1 A 19 19 LEU CA C 19 57.464 57.563 -0.099 1
1 100 . 1 1 1 A 19 19 LEU CB C 19 42.092 41.397 0.695 1
1 104 . 1 1 1 A 19 19 LEU N N 19 118.862 120.589 -1.727 1
1 105 . 1 1 1 A 20 20 ARG H H 20 8.168 8.100 0.068 1
1 106 . 1 1 1 A 20 20 ARG HA H 20 3.899 4.003 -0.104 1
1 113 . 1 1 1 A 20 20 ARG C C 20 179.358 178.816 0.542 1
1 114 . 1 1 1 A 20 20 ARG CA C 20 59.641 59.182 0.459 1
1 115 . 1 1 1 A 20 20 ARG CB C 20 29.869 30.061 -0.192 1
1 118 . 1 1 1 A 20 20 ARG N N 20 118.228 119.608 -1.380 1
1 119 . 1 1 1 A 21 21 THR H H 21 7.592 7.749 -0.157 1
1 120 . 1 1 1 A 21 21 THR HA H 21 3.854 3.946 -0.092 1
1 125 . 1 1 1 A 21 21 THR C C 21 176.662 176.978 -0.316 1
1 126 . 1 1 1 A 21 21 THR CA C 21 66.646 67.120 -0.474 1
1 127 . 1 1 1 A 21 21 THR CB C 21 68.271 68.226 0.045 1
1 129 . 1 1 1 A 21 21 THR N N 21 117.730 116.349 1.381 1
1 130 . 1 1 1 A 22 22 MET H H 22 7.910 7.749 0.161 1
1 131 . 1 1 1 A 22 22 MET HA H 22 3.537 4.127 -0.590 1
1 139 . 1 1 1 A 22 22 MET C C 22 177.099 178.608 -1.509 1
1 140 . 1 1 1 A 22 22 MET CA C 22 61.053 58.751 2.302 1
1 141 . 1 1 1 A 22 22 MET CB C 22 31.655 32.219 -0.564 1
1 144 . 1 1 1 A 22 22 MET N N 22 121.373 118.238 3.135 1
1 145 . 1 1 1 A 23 23 LYS H H 23 8.663 8.255 0.408 1
1 146 . 1 1 1 A 23 23 LYS HA H 23 4.037 4.197 -0.160 1
1 155 . 1 1 1 A 23 23 LYS C C 23 180.183 179.117 1.066 1
1 156 . 1 1 1 A 23 23 LYS CA C 23 60.743 60.129 0.614 1
1 157 . 1 1 1 A 23 23 LYS CB C 23 32.386 32.640 -0.254 1
1 161 . 1 1 1 A 23 23 LYS N N 23 117.749 120.376 -2.627 1
1 162 . 1 1 1 A 24 24 SER H H 24 8.182 7.743 0.439 1
1 163 . 1 1 1 A 24 24 SER HA H 24 4.291 4.248 0.043 1
1 166 . 1 1 1 A 24 24 SER C C 24 176.298 176.875 -0.577 1
1 167 . 1 1 1 A 24 24 SER CA C 24 61.850 61.320 0.530 1
1 168 . 1 1 1 A 24 24 SER CB C 24 62.661 63.064 -0.403 1
1 169 . 1 1 1 A 24 24 SER N N 24 115.784 114.472 1.312 1
1 170 . 1 1 1 A 25 25 TYR H H 25 7.860 8.035 -0.175 1
1 171 . 1 1 1 A 25 25 TYR HA H 25 4.168 4.362 -0.194 1
1 178 . 1 1 1 A 25 25 TYR C C 25 177.731 177.806 -0.075 1
1 179 . 1 1 1 A 25 25 TYR CA C 25 62.168 61.797 0.371 1
1 180 . 1 1 1 A 25 25 TYR CB C 25 38.810 38.541 0.269 1
1 185 . 1 1 1 A 25 25 TYR N N 25 122.606 123.010 -0.404 1
1 186 . 1 1 1 A 26 26 PHE H H 26 9.057 8.632 0.425 1
1 187 . 1 1 1 A 26 26 PHE HA H 26 4.587 4.325 0.262 1
1 195 . 1 1 1 A 26 26 PHE C C 26 174.987 178.053 -3.066 1
1 196 . 1 1 1 A 26 26 PHE CA C 26 61.043 61.593 -0.550 1
1 197 . 1 1 1 A 26 26 PHE CB C 26 39.600 39.323 0.277 1
1 203 . 1 1 1 A 26 26 PHE N N 26 121.419 121.086 0.333 1
1 204 . 1 1 1 A 27 27 ALA H H 27 7.459 8.310 -0.851 1
1 205 . 1 1 1 A 27 27 ALA HA H 27 4.051 3.917 0.134 1
1 209 . 1 1 1 A 27 27 ALA C C 27 178.775 180.121 -1.346 1
1 210 . 1 1 1 A 27 27 ALA CA C 27 54.233 54.903 -0.670 1
1 211 . 1 1 1 A 27 27 ALA CB C 27 18.405 18.715 -0.310 1
1 212 . 1 1 1 A 27 27 ALA N N 27 114.718 120.864 -6.146 1
1 213 . 1 1 1 A 28 28 ILE H H 28 7.405 7.552 -0.147 1
1 214 . 1 1 1 A 28 28 ILE HA H 28 3.985 3.815 0.170 1
1 224 . 1 1 1 A 28 28 ILE C C 28 176.055 176.324 -0.269 1
1 225 . 1 1 1 A 28 28 ILE CA C 28 61.603 63.726 -2.123 1
1 226 . 1 1 1 A 28 28 ILE CB C 28 39.090 38.129 0.961 1
1 230 . 1 1 1 A 28 28 ILE N N 28 115.025 116.427 -1.402 1
1 231 . 1 1 1 A 29 29 ASN H H 29 8.087 8.037 0.050 1
1 232 . 1 1 1 A 29 29 ASN HA H 29 4.511 4.957 -0.446 1
1 237 . 1 1 1 A 29 29 ASN C C 29 172.947 175.390 -2.443 1
1 238 . 1 1 1 A 29 29 ASN CA C 29 52.594 52.557 0.037 1
1 239 . 1 1 1 A 29 29 ASN CB C 29 39.402 40.548 -1.146 1
1 240 . 1 1 1 A 29 29 ASN N N 29 119.219 116.990 2.229 1
1 242 . 1 1 1 A 30 30 HIS H H 30 8.408 8.977 -0.569 1
1 243 . 1 1 1 A 30 30 HIS HA H 30 4.499 4.581 -0.082 1
1 247 . 1 1 1 A 30 30 HIS C C 30 175.472 175.594 -0.122 1
1 248 . 1 1 1 A 30 30 HIS CA C 30 55.538 58.594 -3.056 1
1 249 . 1 1 1 A 30 30 HIS CB C 30 31.578 29.890 1.688 1
1 251 . 1 1 1 A 30 30 HIS N N 30 120.962 122.350 -1.388 1
1 252 . 1 1 1 A 31 31 ASN H H 31 7.931 8.087 -0.156 1
1 253 . 1 1 1 A 31 31 ASN HA H 31 5.099 5.141 -0.042 1
1 258 . 1 1 1 A 31 31 ASN C C 31 170.762 172.628 -1.866 1
1 259 . 1 1 1 A 31 31 ASN CA C 31 51.130 50.773 0.357 1
1 260 . 1 1 1 A 31 31 ASN CB C 31 40.625 39.351 1.274 1
1 261 . 1 1 1 A 31 31 ASN N N 31 114.800 117.021 -2.221 1
1 263 . 1 1 1 A 32 32 PRO HA H 32 4.565 4.769 -0.204 1
1 270 . 1 1 1 A 32 32 PRO C C 32 176.832 176.878 -0.046 1
1 271 . 1 1 1 A 32 32 PRO CA C 32 63.120 62.571 0.549 1
1 272 . 1 1 1 A 32 32 PRO CB C 32 31.715 32.058 -0.343 1
1 275 . 1 1 1 A 33 33 ASP H H 33 8.758 8.648 0.110 1
1 276 . 1 1 1 A 33 33 ASP HA H 33 4.526 4.841 -0.315 1
1 279 . 1 1 1 A 33 33 ASP C C 33 175.667 177.388 -1.721 1
1 280 . 1 1 1 A 33 33 ASP CA C 33 51.908 53.367 -1.459 1
1 281 . 1 1 1 A 33 33 ASP CB C 33 41.113 41.852 -0.739 1
1 282 . 1 1 1 A 33 33 ASP N N 33 123.573 122.061 1.512 1
1 283 . 1 1 1 A 34 34 ALA H H 34 8.274 8.949 -0.675 1
1 284 . 1 1 1 A 34 34 ALA HA H 34 3.914 3.930 -0.016 1
1 288 . 1 1 1 A 34 34 ALA C C 34 180.742 179.503 1.239 1
1 289 . 1 1 1 A 34 34 ALA CA C 34 56.073 55.660 0.413 1
1 290 . 1 1 1 A 34 34 ALA CB C 34 18.510 18.428 0.082 1
1 291 . 1 1 1 A 34 34 ALA N N 34 119.222 124.065 -4.843 1
1 292 . 1 1 1 A 35 35 LYS H H 35 7.931 8.300 -0.369 1
1 293 . 1 1 1 A 35 35 LYS HA H 35 4.019 3.931 0.088 1
1 302 . 1 1 1 A 35 35 LYS C C 35 179.430 178.679 0.751 1
1 303 . 1 1 1 A 35 35 LYS CA C 35 59.485 59.836 -0.351 1
1 304 . 1 1 1 A 35 35 LYS CB C 35 31.535 32.406 -0.871 1
1 308 . 1 1 1 A 35 35 LYS N N 35 119.343 118.341 1.002 1
1 309 . 1 1 1 A 36 36 ASP H H 36 8.611 7.989 0.622 1
1 310 . 1 1 1 A 36 36 ASP HA H 36 4.408 4.499 -0.091 1
1 313 . 1 1 1 A 36 36 ASP C C 36 179.479 178.804 0.675 1
1 314 . 1 1 1 A 36 36 ASP CA C 36 57.090 57.060 0.030 1
1 315 . 1 1 1 A 36 36 ASP CB C 36 39.930 40.659 -0.729 1
1 316 . 1 1 1 A 36 36 ASP N N 36 123.478 119.620 3.858 1
1 317 . 1 1 1 A 37 37 LEU H H 37 8.743 8.364 0.379 1
1 318 . 1 1 1 A 37 37 LEU HA H 37 3.805 3.740 0.065 1
1 328 . 1 1 1 A 37 37 LEU C C 37 178.799 178.884 -0.085 1
1 329 . 1 1 1 A 37 37 LEU CA C 37 58.148 57.898 0.250 1
1 330 . 1 1 1 A 37 37 LEU CB C 37 42.233 41.667 0.566 1
1 334 . 1 1 1 A 37 37 LEU N N 37 120.010 120.689 -0.679 1
1 335 . 1 1 1 A 38 38 LYS H H 38 7.756 8.598 -0.842 1
1 336 . 1 1 1 A 38 38 LYS HA H 38 3.956 3.979 -0.023 1
1 343 . 1 1 1 A 38 38 LYS C C 38 179.090 178.308 0.782 1
1 344 . 1 1 1 A 38 38 LYS CA C 38 59.950 59.016 0.934 1
1 345 . 1 1 1 A 38 38 LYS CB C 38 32.315 32.016 0.299 1
1 349 . 1 1 1 A 38 38 LYS N N 38 120.326 117.725 2.601 1
1 350 . 1 1 1 A 39 39 GLN H H 39 7.634 7.769 -0.135 1
1 351 . 1 1 1 A 39 39 GLN HA H 39 4.156 4.045 0.111 1
1 358 . 1 1 1 A 39 39 GLN C C 39 178.896 179.437 -0.541 1
1 359 . 1 1 1 A 39 39 GLN CA C 39 58.888 58.438 0.450 1
1 360 . 1 1 1 A 39 39 GLN CB C 39 28.441 28.245 0.196 1
1 362 . 1 1 1 A 39 39 GLN N N 39 119.272 119.116 0.156 1
1 364 . 1 1 1 A 40 40 LEU H H 40 8.541 8.094 0.447 1
1 365 . 1 1 1 A 40 40 LEU HA H 40 3.848 4.048 -0.200 1
1 375 . 1 1 1 A 40 40 LEU C C 40 180.256 178.980 1.276 1
1 376 . 1 1 1 A 40 40 LEU CA C 40 57.866 57.695 0.171 1
1 377 . 1 1 1 A 40 40 LEU CB C 40 43.074 41.357 1.717 1
1 381 . 1 1 1 A 40 40 LEU N N 40 120.555 120.524 0.031 1
1 382 . 1 1 1 A 41 41 ALA H H 41 8.633 8.180 0.453 1
1 383 . 1 1 1 A 41 41 ALA HA H 41 4.032 3.939 0.093 1
1 387 . 1 1 1 A 41 41 ALA C C 41 179.722 178.727 0.995 1
1 388 . 1 1 1 A 41 41 ALA CA C 41 55.923 54.522 1.401 1
1 389 . 1 1 1 A 41 41 ALA CB C 41 17.836 18.479 -0.643 1
1 390 . 1 1 1 A 41 41 ALA N N 41 127.288 120.692 6.596 1
1 391 . 1 1 1 A 42 42 GLN H H 42 7.698 7.722 -0.024 1
1 392 . 1 1 1 A 42 42 GLN HA H 42 4.034 4.330 -0.296 1
1 399 . 1 1 1 A 42 42 GLN C C 42 178.848 178.019 0.829 1
1 400 . 1 1 1 A 42 42 GLN CA C 42 58.853 57.393 1.460 1
1 401 . 1 1 1 A 42 42 GLN CB C 42 28.276 29.659 -1.383 1
1 403 . 1 1 1 A 42 42 GLN N N 42 118.543 116.244 2.299 1
1 405 . 1 1 1 A 43 43 LYS H H 43 8.099 7.625 0.474 1
1 406 . 1 1 1 A 43 43 LYS HA H 43 4.172 4.074 0.098 1
1 415 . 1 1 1 A 43 43 LYS C C 43 178.581 177.911 0.670 1
1 416 . 1 1 1 A 43 43 LYS CA C 43 58.741 58.664 0.077 1
1 417 . 1 1 1 A 43 43 LYS CB C 43 34.128 32.093 2.035 1
1 421 . 1 1 1 A 43 43 LYS N N 43 116.650 119.368 -2.718 1
1 422 . 1 1 1 A 44 44 THR H H 44 8.053 7.655 0.398 1
1 423 . 1 1 1 A 44 44 THR HA H 44 4.517 4.533 -0.016 1
1 428 . 1 1 1 A 44 44 THR C C 44 176.104 175.925 0.179 1
1 429 . 1 1 1 A 44 44 THR CA C 44 63.114 62.244 0.870 1
1 430 . 1 1 1 A 44 44 THR CB C 44 72.379 71.505 0.874 1
1 432 . 1 1 1 A 44 44 THR N N 44 105.200 107.706 -2.506 1
1 433 . 1 1 1 A 45 45 GLY H H 45 8.327 8.183 0.144 1
1 434 . 1 1 1 A 45 45 GLY HA2 H 45 3.882 3.951 -0.069 1
1 435 . 1 1 1 A 45 45 GLY HA3 H 45 4.257 3.954 0.303 1
1 436 . 1 1 1 A 45 45 GLY C C 45 174.283 174.394 -0.111 1
1 437 . 1 1 1 A 45 45 GLY CA C 45 45.950 44.942 1.008 1
1 438 . 1 1 1 A 45 45 GLY N N 45 111.805 111.213 0.592 1
1 439 . 1 1 1 A 46 46 LEU H H 46 7.710 7.557 0.153 1
1 440 . 1 1 1 A 46 46 LEU HA H 46 4.692 4.488 0.204 1
1 450 . 1 1 1 A 46 46 LEU C C 46 176.249 175.633 0.616 1
1 451 . 1 1 1 A 46 46 LEU CA C 46 53.293 54.563 -1.270 1
1 452 . 1 1 1 A 46 46 LEU CB C 46 44.084 42.806 1.278 1
1 456 . 1 1 1 A 46 46 LEU N N 46 121.162 122.347 -1.185 1
1 457 . 1 1 1 A 47 47 THR H H 47 7.718 8.196 -0.478 1
1 458 . 1 1 1 A 47 47 THR HA H 47 4.379 4.801 -0.422 1
1 463 . 1 1 1 A 47 47 THR C C 47 175.594 175.041 0.553 1
1 464 . 1 1 1 A 47 47 THR CA C 47 60.475 59.654 0.821 1
1 465 . 1 1 1 A 47 47 THR CB C 47 71.045 70.921 0.124 1
1 467 . 1 1 1 A 47 47 THR N N 47 107.953 114.023 -6.070 1
1 468 . 1 1 1 A 48 48 LYS H H 48 8.750 9.011 -0.261 1
1 469 . 1 1 1 A 48 48 LYS HA H 48 3.788 3.872 -0.084 1
1 478 . 1 1 1 A 48 48 LYS C C 48 178.119 178.237 -0.118 1
1 479 . 1 1 1 A 48 48 LYS CA C 48 60.816 60.233 0.583 1
1 480 . 1 1 1 A 48 48 LYS CB C 48 32.050 32.413 -0.363 1
1 484 . 1 1 1 A 48 48 LYS N N 48 120.566 127.433 -6.867 1
1 485 . 1 1 1 A 49 49 ARG H H 49 8.274 7.791 0.483 1
1 486 . 1 1 1 A 49 49 ARG HA H 49 4.214 4.094 0.120 1
1 492 . 1 1 1 A 49 49 ARG C C 49 178.216 178.717 -0.501 1
1 493 . 1 1 1 A 49 49 ARG CA C 49 59.170 58.947 0.223 1
1 494 . 1 1 1 A 49 49 ARG CB C 49 30.181 30.053 0.128 1
1 497 . 1 1 1 A 49 49 ARG N N 49 116.915 119.214 -2.299 1
1 498 . 1 1 1 A 50 50 VAL H H 50 7.310 8.070 -0.760 1
1 499 . 1 1 1 A 50 50 VAL HA H 50 3.730 3.708 0.022 1
1 507 . 1 1 1 A 50 50 VAL C C 50 179.406 178.390 1.016 1
1 508 . 1 1 1 A 50 50 VAL CA C 50 66.576 66.709 -0.133 1
1 509 . 1 1 1 A 50 50 VAL CB C 50 31.655 31.604 0.051 1
1 512 . 1 1 1 A 50 50 VAL N N 50 119.540 119.415 0.125 1
1 513 . 1 1 1 A 51 51 LEU H H 51 8.115 8.254 -0.139 1
1 514 . 1 1 1 A 51 51 LEU HA H 51 4.133 3.953 0.180 1
1 524 . 1 1 1 A 51 51 LEU C C 51 178.726 179.070 -0.344 1
1 525 . 1 1 1 A 51 51 LEU CA C 51 58.465 58.398 0.067 1
1 526 . 1 1 1 A 51 51 LEU CB C 51 43.173 41.662 1.511 1
1 530 . 1 1 1 A 51 51 LEU N N 51 120.715 119.839 0.876 1
1 531 . 1 1 1 A 52 52 GLN H H 52 8.981 8.628 0.353 1
1 532 . 1 1 1 A 52 52 GLN HA H 52 4.131 3.952 0.179 1
1 539 . 1 1 1 A 52 52 GLN C C 52 179.600 178.809 0.791 1
1 540 . 1 1 1 A 52 52 GLN CA C 52 60.226 58.883 1.343 1
1 541 . 1 1 1 A 52 52 GLN CB C 52 29.018 28.302 0.716 1
1 543 . 1 1 1 A 52 52 GLN N N 52 118.651 116.910 1.741 1
1 545 . 1 1 1 A 53 53 VAL H H 53 8.057 8.327 -0.270 1
1 546 . 1 1 1 A 53 53 VAL HA H 53 3.723 3.727 -0.004 1
1 554 . 1 1 1 A 53 53 VAL C C 53 177.755 178.274 -0.519 1
1 555 . 1 1 1 A 53 53 VAL CA C 53 66.646 66.791 -0.145 1
1 556 . 1 1 1 A 53 53 VAL CB C 53 32.196 31.624 0.572 1
1 559 . 1 1 1 A 53 53 VAL N N 53 120.778 120.427 0.351 1
1 560 . 1 1 1 A 54 54 TRP H H 54 8.377 8.336 0.041 1
1 561 . 1 1 1 A 54 54 TRP HA H 54 4.036 4.140 -0.104 1
1 570 . 1 1 1 A 54 54 TRP C C 54 180.110 178.236 1.874 1
1 571 . 1 1 1 A 54 54 TRP CA C 54 63.543 61.070 2.473 1
1 572 . 1 1 1 A 54 54 TRP CB C 54 28.771 29.574 -0.803 1
1 578 . 1 1 1 A 54 54 TRP N N 54 122.326 121.389 0.937 1
1 580 . 1 1 1 A 55 55 PHE H H 55 9.196 8.761 0.435 1
1 581 . 1 1 1 A 55 55 PHE HA H 55 3.808 4.210 -0.402 1
1 589 . 1 1 1 A 55 55 PHE C C 55 177.973 178.394 -0.421 1
1 590 . 1 1 1 A 55 55 PHE CA C 55 63.557 62.424 1.133 1
1 591 . 1 1 1 A 55 55 PHE CB C 55 39.139 38.933 0.206 1
1 597 . 1 1 1 A 55 55 PHE N N 55 118.085 117.939 0.146 1
1 598 . 1 1 1 A 56 56 GLN H H 56 8.289 8.259 0.030 1
1 599 . 1 1 1 A 56 56 GLN HA H 56 3.992 3.947 0.045 1
1 606 . 1 1 1 A 56 56 GLN C C 56 179.212 179.026 0.186 1
1 607 . 1 1 1 A 56 56 GLN CA C 56 59.699 59.371 0.328 1
1 608 . 1 1 1 A 56 56 GLN CB C 56 28.236 28.482 -0.246 1
1 610 . 1 1 1 A 56 56 GLN N N 56 119.990 117.705 2.285 1
1 612 . 1 1 1 A 57 57 ASN H H 57 8.244 8.187 0.057 1
1 613 . 1 1 1 A 57 57 ASN HA H 57 4.341 4.361 -0.020 1
1 618 . 1 1 1 A 57 57 ASN C C 57 177.124 177.805 -0.681 1
1 619 . 1 1 1 A 57 57 ASN CA C 57 55.820 56.016 -0.196 1
1 620 . 1 1 1 A 57 57 ASN CB C 57 38.025 37.698 0.327 1
1 621 . 1 1 1 A 57 57 ASN N N 57 119.713 118.256 1.457 1
1 623 . 1 1 1 A 58 58 ALA H H 58 8.224 7.599 0.625 1
1 624 . 1 1 1 A 58 58 ALA HA H 58 3.323 3.590 -0.267 1
1 628 . 1 1 1 A 58 58 ALA C C 58 180.814 179.964 0.850 1
1 629 . 1 1 1 A 58 58 ALA CA C 58 54.712 54.791 -0.079 1
1 630 . 1 1 1 A 58 58 ALA CB C 58 16.697 17.621 -0.924 1
1 631 . 1 1 1 A 58 58 ALA N N 58 125.439 122.796 2.643 1
1 632 . 1 1 1 A 59 59 ARG H H 59 8.404 7.614 0.790 1
1 633 . 1 1 1 A 59 59 ARG HA H 59 4.009 4.162 -0.153 1
1 640 . 1 1 1 A 59 59 ARG C C 59 178.678 179.068 -0.390 1
1 641 . 1 1 1 A 59 59 ARG CA C 59 60.969 59.677 1.292 1
1 642 . 1 1 1 A 59 59 ARG CB C 59 31.491 29.920 1.571 1
1 645 . 1 1 1 A 59 59 ARG N N 59 118.829 117.616 1.213 1
1 646 . 1 1 1 A 60 60 ALA H H 60 7.711 7.530 0.181 1
1 647 . 1 1 1 A 60 60 ALA HA H 60 4.162 4.072 0.090 1
1 651 . 1 1 1 A 60 60 ALA C C 60 180.086 179.186 0.900 1
1 652 . 1 1 1 A 60 60 ALA CA C 60 55.116 55.298 -0.182 1
1 653 . 1 1 1 A 60 60 ALA CB C 60 17.993 18.098 -0.105 1
1 654 . 1 1 1 A 60 60 ALA N N 60 122.099 121.988 0.111 1
1 655 . 1 1 1 A 61 61 LYS H H 61 7.845 7.867 -0.022 1
1 656 . 1 1 1 A 61 61 LYS HA H 61 3.912 3.983 -0.071 1
1 665 . 1 1 1 A 61 61 LYS C C 61 177.876 178.283 -0.407 1
1 666 . 1 1 1 A 61 61 LYS CA C 61 58.699 59.562 -0.863 1
1 667 . 1 1 1 A 61 61 LYS CB C 61 32.412 32.309 0.103 1
1 671 . 1 1 1 A 61 61 LYS N N 61 118.453 119.099 -0.646 1
1 672 . 1 1 1 A 62 62 PHE H H 62 7.986 8.499 -0.513 1
1 673 . 1 1 1 A 62 62 PHE HA H 62 4.249 4.455 -0.206 1
1 681 . 1 1 1 A 62 62 PHE C C 62 177.148 177.107 0.041 1
1 682 . 1 1 1 A 62 62 PHE CA C 62 60.592 62.018 -1.426 1
1 683 . 1 1 1 A 62 62 PHE CB C 62 39.439 39.141 0.298 1
1 689 . 1 1 1 A 62 62 PHE N N 62 120.207 120.932 -0.725 1
1 690 . 1 1 1 A 63 63 ARG H H 63 8.034 7.960 0.074 1
1 691 . 1 1 1 A 63 63 ARG HA H 63 4.071 4.116 -0.045 1
1 698 . 1 1 1 A 63 63 ARG C C 63 177.342 178.327 -0.985 1
1 699 . 1 1 1 A 63 63 ARG CA C 63 58.068 59.559 -1.491 1
1 700 . 1 1 1 A 63 63 ARG CB C 63 30.282 30.020 0.262 1
1 703 . 1 1 1 A 63 63 ARG N N 63 119.257 117.259 1.998 1
1 704 . 1 1 1 A 64 64 ARG H H 64 7.956 8.202 -0.246 1
1 705 . 1 1 1 A 64 64 ARG HA H 64 4.096 4.055 0.041 1
1 712 . 1 1 1 A 64 64 ARG C C 64 177.366 178.850 -1.484 1
1 713 . 1 1 1 A 64 64 ARG CA C 64 57.971 58.800 -0.829 1
1 714 . 1 1 1 A 64 64 ARG CB C 64 30.419 30.119 0.300 1
1 717 . 1 1 1 A 64 64 ARG N N 64 119.492 120.531 -1.039 1
1 718 . 1 1 1 A 65 65 ASN H H 65 8.042 7.843 0.199 1
1 719 . 1 1 1 A 65 65 ASN HA H 65 4.537 4.452 0.085 1
1 724 . 1 1 1 A 65 65 ASN C C 65 176.152 177.339 -1.187 1
1 725 . 1 1 1 A 65 65 ASN CA C 65 54.348 54.928 -0.580 1
1 726 . 1 1 1 A 65 65 ASN CB C 65 38.466 36.470 1.996 1
1 727 . 1 1 1 A 65 65 ASN N N 65 117.555 115.534 2.021 1
1 729 . 1 1 1 A 66 66 LEU H H 66 7.777 8.105 -0.328 1
1 730 . 1 1 1 A 66 66 LEU HA H 66 4.140 3.950 0.190 1
1 740 . 1 1 1 A 66 66 LEU C C 66 177.779 178.534 -0.755 1
1 741 . 1 1 1 A 66 66 LEU CA C 66 56.138 57.681 -1.543 1
1 742 . 1 1 1 A 66 66 LEU CB C 66 42.160 41.766 0.394 1
1 746 . 1 1 1 A 66 66 LEU N N 66 121.103 122.870 -1.767 1
1 747 . 1 1 1 A 67 67 LEU H H 67 7.861 7.786 0.075 1
1 748 . 1 1 1 A 67 67 LEU HA H 67 4.252 4.266 -0.014 1
1 758 . 1 1 1 A 67 67 LEU C C 67 177.245 176.995 0.250 1
1 759 . 1 1 1 A 67 67 LEU CA C 67 55.445 57.538 -2.093 1
1 760 . 1 1 1 A 67 67 LEU CB C 67 42.122 41.578 0.544 1
1 764 . 1 1 1 A 67 67 LEU N N 67 120.121 115.401 4.720 1
1 765 . 1 1 1 A 68 68 ARG H H 68 7.963 7.162 0.801 1
1 766 . 1 1 1 A 68 68 ARG HA H 68 4.265 4.052 0.213 1
1 773 . 1 1 1 A 68 68 ARG C C 68 175.934 177.458 -1.524 1
1 774 . 1 1 1 A 68 68 ARG CA C 68 56.208 56.192 0.016 1
1 775 . 1 1 1 A 68 68 ARG CB C 68 30.839 31.315 -0.476 1
1 778 . 1 1 1 A 68 68 ARG N N 68 120.189 120.464 -0.275 1
1 779 . 1 1 1 A 69 69 GLN H H 69 8.303 9.062 -0.759 1
1 780 . 1 1 1 A 69 69 GLN HA H 69 4.320 3.878 0.442 1
1 787 . 1 1 1 A 69 69 GLN C C 69 175.740 176.600 -0.860 1
1 788 . 1 1 1 A 69 69 GLN CA C 69 55.891 59.958 -4.067 1
1 789 . 1 1 1 A 69 69 GLN CB C 69 29.556 28.917 0.639 1
1 791 . 1 1 1 A 69 69 GLN N N 69 121.097 125.624 -4.527 1
1 793 . 1 1 1 A 70 70 GLU H H 70 8.391 7.953 0.438 1
1 794 . 1 1 1 A 70 70 GLU HA H 70 4.290 4.125 0.165 1
1 799 . 1 1 1 A 70 70 GLU C C 70 175.254 176.772 -1.518 1
1 800 . 1 1 1 A 70 70 GLU CA C 70 56.490 57.714 -1.224 1
1 801 . 1 1 1 A 70 70 GLU CB C 70 30.636 30.174 0.462 1
1 803 . 1 1 1 A 70 70 GLU N N 70 122.138 119.195 2.943 1
1 804 . 1 1 1 A 71 71 ASN H H 71 8.095 8.793 -0.698 1
1 805 . 1 1 1 A 71 71 ASN HA H 71 4.462 5.163 -0.701 1
1 810 . 1 1 1 A 71 71 ASN C C 71 179.333 174.149 5.184 1
1 811 . 1 1 1 A 71 71 ASN CA C 71 55.009 52.608 2.401 1
1 812 . 1 1 1 A 71 71 ASN CB C 71 41.051 42.763 -1.712 1
1 813 . 1 1 1 A 71 71 ASN N N 71 124.912 121.435 3.477 1
1 815 . 1 1 1 A 72 72 GLY HA2 H 72 3.944 4.133 -0.189 1
1 816 . 1 1 1 A 72 72 GLY HA3 H 72 3.872 4.149 -0.277 1
1 817 . 1 1 1 A 72 72 GLY C C 72 175.060 174.213 0.847 1
1 818 . 1 1 1 A 72 72 GLY CA C 72 45.579 44.477 1.102 1
1 819 . 1 1 1 A 73 73 GLY H H 73 8.416 8.602 -0.186 1
1 820 . 1 1 1 A 73 73 GLY HA2 H 73 3.947 4.022 -0.075 1
1 821 . 1 1 1 A 73 73 GLY HA3 H 73 3.947 4.026 -0.079 1
1 822 . 1 1 1 A 73 73 GLY C C 73 174.356 173.581 0.775 1
1 823 . 1 1 1 A 73 73 GLY CA C 73 45.280 45.120 0.160 1
1 824 . 1 1 1 A 73 73 GLY N N 73 108.960 107.809 1.151 1
1 825 . 1 1 1 A 74 74 VAL H H 74 8.059 8.481 -0.422 1
1 826 . 1 1 1 A 74 74 VAL HA H 74 4.181 4.368 -0.187 1
1 834 . 1 1 1 A 74 74 VAL C C 74 176.419 175.327 1.092 1
1 835 . 1 1 1 A 74 74 VAL CA C 74 62.309 63.185 -0.876 1
1 836 . 1 1 1 A 74 74 VAL CB C 74 32.843 31.757 1.086 1
1 839 . 1 1 1 A 74 74 VAL N N 74 118.980 121.000 -2.020 1
1 840 . 1 1 1 A 75 75 SER H H 75 8.430 8.744 -0.314 1
1 841 . 1 1 1 A 75 75 SER HA H 75 4.493 5.050 -0.557 1
1 844 . 1 1 1 A 75 75 SER C C 75 174.525 173.010 1.515 1
1 845 . 1 1 1 A 75 75 SER CA C 75 58.349 56.560 1.789 1
1 846 . 1 1 1 A 75 75 SER CB C 75 63.880 65.514 -1.634 1
1 847 . 1 1 1 A 75 75 SER N N 75 119.288 121.602 -2.314 1
1 848 . 1 1 1 A 76 76 GLY H H 76 8.206 8.346 -0.140 1
1 849 . 1 1 1 A 76 76 GLY C C 76 171.757 174.326 -2.569 1
1 850 . 1 1 1 A 76 76 GLY CA C 76 44.642 45.470 -0.828 1
1 851 . 1 1 1 A 76 76 GLY N N 76 110.769 110.379 0.390 1
1 852 . 1 1 1 A 79 79 SER HA H 79 4.474 4.265 0.209 1
1 855 . 1 1 1 A 79 79 SER C C 79 173.918 174.245 -0.327 1
1 856 . 1 1 1 A 79 79 SER CA C 79 58.430 59.219 -0.789 1
1 857 . 1 1 1 A 79 79 SER CB C 79 64.045 63.166 0.879 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.959 4.080 -0.121 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.959 4.083 -0.124 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.210 174.738 -0.528 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.270 45.138 0.132 1
1 5 . 2 1 1 A 8 8 LYS H H 8 7.993 8.787 -0.794 1
1 6 . 2 1 1 A 8 8 LYS C C 8 176.347 176.940 -0.593 1
1 7 . 2 1 1 A 8 8 LYS CA C 8 62.168 58.396 3.772 1
1 8 . 2 1 1 A 8 8 LYS CB C 8 32.974 33.164 -0.190 1
1 9 . 2 1 1 A 8 8 LYS N N 8 118.865 120.288 -1.423 1
1 10 . 2 1 1 A 12 12 THR HA H 12 4.227 4.510 -0.283 1
1 15 . 2 1 1 A 12 12 THR CA C 12 61.902 61.110 0.792 1
1 16 . 2 1 1 A 12 12 THR CB C 12 69.926 70.964 -1.038 1
1 18 . 2 1 1 A 13 13 SER HA H 13 4.401 4.486 -0.085 1
1 21 . 2 1 1 A 13 13 SER C C 13 173.627 173.637 -0.010 1
1 22 . 2 1 1 A 13 13 SER CA C 13 57.513 58.249 -0.736 1
1 23 . 2 1 1 A 13 13 SER CB C 13 63.880 63.579 0.301 1
1 24 . 2 1 1 A 14 14 PHE H H 14 8.197 8.774 -0.577 1
1 25 . 2 1 1 A 14 14 PHE HA H 14 4.701 4.795 -0.094 1
1 33 . 2 1 1 A 14 14 PHE C C 14 176.177 175.583 0.594 1
1 34 . 2 1 1 A 14 14 PHE CA C 14 57.539 57.554 -0.015 1
1 35 . 2 1 1 A 14 14 PHE CB C 14 41.041 41.094 -0.053 1
1 41 . 2 1 1 A 14 14 PHE N N 14 121.084 127.153 -6.069 1
1 42 . 2 1 1 A 15 15 LYS H H 15 8.548 9.055 -0.507 1
1 43 . 2 1 1 A 15 15 LYS HA H 15 4.449 4.493 -0.044 1
1 51 . 2 1 1 A 15 15 LYS C C 15 178.532 177.550 0.982 1
1 52 . 2 1 1 A 15 15 LYS CA C 15 55.291 54.922 0.369 1
1 53 . 2 1 1 A 15 15 LYS CB C 15 33.993 34.072 -0.079 1
1 57 . 2 1 1 A 15 15 LYS N N 15 120.600 121.123 -0.523 1
1 58 . 2 1 1 A 16 16 HIS HA H 16 4.238 4.499 -0.261 1
1 62 . 2 1 1 A 16 16 HIS CA C 16 60.805 57.729 3.076 1
1 63 . 2 1 1 A 16 16 HIS CB C 16 30.416 29.595 0.821 1
1 65 . 2 1 1 A 17 17 HIS HA H 17 4.218 4.366 -0.148 1
1 69 . 2 1 1 A 17 17 HIS C C 17 177.731 177.668 0.063 1
1 70 . 2 1 1 A 17 17 HIS CA C 17 58.994 59.178 -0.184 1
1 71 . 2 1 1 A 17 17 HIS CB C 17 29.627 30.438 -0.811 1
1 73 . 2 1 1 A 18 18 GLN H H 18 6.563 8.214 -1.651 1
1 74 . 2 1 1 A 18 18 GLN HA H 18 3.747 3.993 -0.246 1
1 81 . 2 1 1 A 18 18 GLN C C 18 177.051 178.026 -0.975 1
1 82 . 2 1 1 A 18 18 GLN CA C 18 58.148 58.416 -0.268 1
1 83 . 2 1 1 A 18 18 GLN CB C 18 27.752 28.468 -0.716 1
1 85 . 2 1 1 A 18 18 GLN N N 18 119.371 117.309 2.062 1
1 87 . 2 1 1 A 19 19 LEU H H 19 7.532 8.123 -0.591 1
1 88 . 2 1 1 A 19 19 LEU HA H 19 3.570 3.658 -0.088 1
1 98 . 2 1 1 A 19 19 LEU C C 19 178.362 178.827 -0.465 1
1 99 . 2 1 1 A 19 19 LEU CA C 19 57.464 57.607 -0.143 1
1 100 . 2 1 1 A 19 19 LEU CB C 19 42.092 41.428 0.664 1
1 104 . 2 1 1 A 19 19 LEU N N 19 118.862 120.498 -1.636 1
1 105 . 2 1 1 A 20 20 ARG H H 20 8.168 8.200 -0.032 1
1 106 . 2 1 1 A 20 20 ARG HA H 20 3.899 3.993 -0.094 1
1 113 . 2 1 1 A 20 20 ARG C C 20 179.358 178.344 1.014 1
1 114 . 2 1 1 A 20 20 ARG CA C 20 59.641 59.040 0.601 1
1 115 . 2 1 1 A 20 20 ARG CB C 20 29.869 29.980 -0.111 1
1 118 . 2 1 1 A 20 20 ARG N N 20 118.228 119.691 -1.463 1
1 119 . 2 1 1 A 21 21 THR H H 21 7.592 7.421 0.171 1
1 120 . 2 1 1 A 21 21 THR HA H 21 3.854 4.190 -0.336 1
1 125 . 2 1 1 A 21 21 THR C C 21 176.662 176.423 0.239 1
1 126 . 2 1 1 A 21 21 THR CA C 21 66.646 65.058 1.588 1
1 127 . 2 1 1 A 21 21 THR CB C 21 68.271 68.957 -0.686 1
1 129 . 2 1 1 A 21 21 THR N N 21 117.730 114.998 2.732 1
1 130 . 2 1 1 A 22 22 MET H H 22 7.910 8.349 -0.439 1
1 131 . 2 1 1 A 22 22 MET HA H 22 3.537 4.171 -0.634 1
1 139 . 2 1 1 A 22 22 MET C C 22 177.099 178.568 -1.469 1
1 140 . 2 1 1 A 22 22 MET CA C 22 61.053 58.972 2.081 1
1 141 . 2 1 1 A 22 22 MET CB C 22 31.655 32.715 -1.060 1
1 144 . 2 1 1 A 22 22 MET N N 22 121.373 118.863 2.510 1
1 145 . 2 1 1 A 23 23 LYS H H 23 8.663 8.203 0.460 1
1 146 . 2 1 1 A 23 23 LYS HA H 23 4.037 4.268 -0.231 1
1 155 . 2 1 1 A 23 23 LYS C C 23 180.183 179.563 0.620 1
1 156 . 2 1 1 A 23 23 LYS CA C 23 60.743 59.933 0.810 1
1 157 . 2 1 1 A 23 23 LYS CB C 23 32.386 32.548 -0.162 1
1 161 . 2 1 1 A 23 23 LYS N N 23 117.749 119.360 -1.611 1
1 162 . 2 1 1 A 24 24 SER H H 24 8.182 8.142 0.040 1
1 163 . 2 1 1 A 24 24 SER HA H 24 4.291 4.292 -0.001 1
1 166 . 2 1 1 A 24 24 SER C C 24 176.298 176.766 -0.468 1
1 167 . 2 1 1 A 24 24 SER CA C 24 61.850 60.921 0.929 1
1 168 . 2 1 1 A 24 24 SER CB C 24 62.661 63.259 -0.598 1
1 169 . 2 1 1 A 24 24 SER N N 24 115.784 114.428 1.356 1
1 170 . 2 1 1 A 25 25 TYR H H 25 7.860 8.035 -0.175 1
1 171 . 2 1 1 A 25 25 TYR HA H 25 4.168 4.326 -0.158 1
1 178 . 2 1 1 A 25 25 TYR C C 25 177.731 177.934 -0.203 1
1 179 . 2 1 1 A 25 25 TYR CA C 25 62.168 61.780 0.388 1
1 180 . 2 1 1 A 25 25 TYR CB C 25 38.810 38.842 -0.032 1
1 185 . 2 1 1 A 25 25 TYR N N 25 122.606 122.650 -0.044 1
1 186 . 2 1 1 A 26 26 PHE H H 26 9.057 8.528 0.529 1
1 187 . 2 1 1 A 26 26 PHE HA H 26 4.587 4.575 0.012 1
1 195 . 2 1 1 A 26 26 PHE C C 26 174.987 177.884 -2.897 1
1 196 . 2 1 1 A 26 26 PHE CA C 26 61.043 61.741 -0.698 1
1 197 . 2 1 1 A 26 26 PHE CB C 26 39.600 39.580 0.020 1
1 203 . 2 1 1 A 26 26 PHE N N 26 121.419 121.183 0.236 1
1 204 . 2 1 1 A 27 27 ALA H H 27 7.459 7.773 -0.314 1
1 205 . 2 1 1 A 27 27 ALA HA H 27 4.051 3.915 0.136 1
1 209 . 2 1 1 A 27 27 ALA C C 27 178.775 180.115 -1.340 1
1 210 . 2 1 1 A 27 27 ALA CA C 27 54.233 54.791 -0.558 1
1 211 . 2 1 1 A 27 27 ALA CB C 27 18.405 18.791 -0.386 1
1 212 . 2 1 1 A 27 27 ALA N N 27 114.718 120.716 -5.998 1
1 213 . 2 1 1 A 28 28 ILE H H 28 7.405 7.799 -0.394 1
1 214 . 2 1 1 A 28 28 ILE HA H 28 3.985 3.848 0.137 1
1 224 . 2 1 1 A 28 28 ILE C C 28 176.055 176.200 -0.145 1
1 225 . 2 1 1 A 28 28 ILE CA C 28 61.603 63.265 -1.662 1
1 226 . 2 1 1 A 28 28 ILE CB C 28 39.090 38.356 0.734 1
1 230 . 2 1 1 A 28 28 ILE N N 28 115.025 116.381 -1.356 1
1 231 . 2 1 1 A 29 29 ASN H H 29 8.087 7.827 0.260 1
1 232 . 2 1 1 A 29 29 ASN HA H 29 4.511 4.719 -0.208 1
1 237 . 2 1 1 A 29 29 ASN C C 29 172.947 175.303 -2.356 1
1 238 . 2 1 1 A 29 29 ASN CA C 29 52.594 52.235 0.359 1
1 239 . 2 1 1 A 29 29 ASN CB C 29 39.402 40.457 -1.055 1
1 240 . 2 1 1 A 29 29 ASN N N 29 119.219 117.040 2.179 1
1 242 . 2 1 1 A 30 30 HIS H H 30 8.408 8.355 0.053 1
1 243 . 2 1 1 A 30 30 HIS HA H 30 4.499 4.595 -0.096 1
1 247 . 2 1 1 A 30 30 HIS C C 30 175.472 175.607 -0.135 1
1 248 . 2 1 1 A 30 30 HIS CA C 30 55.538 58.614 -3.076 1
1 249 . 2 1 1 A 30 30 HIS CB C 30 31.578 30.098 1.480 1
1 251 . 2 1 1 A 30 30 HIS N N 30 120.962 122.530 -1.568 1
1 252 . 2 1 1 A 31 31 ASN H H 31 7.931 7.969 -0.038 1
1 253 . 2 1 1 A 31 31 ASN HA H 31 5.099 5.121 -0.022 1
1 258 . 2 1 1 A 31 31 ASN C C 31 170.762 172.531 -1.769 1
1 259 . 2 1 1 A 31 31 ASN CA C 31 51.130 50.751 0.379 1
1 260 . 2 1 1 A 31 31 ASN CB C 31 40.625 39.260 1.365 1
1 261 . 2 1 1 A 31 31 ASN N N 31 114.800 117.118 -2.318 1
1 263 . 2 1 1 A 32 32 PRO HA H 32 4.565 4.717 -0.152 1
1 270 . 2 1 1 A 32 32 PRO C C 32 176.832 176.548 0.284 1
1 271 . 2 1 1 A 32 32 PRO CA C 32 63.120 62.578 0.542 1
1 272 . 2 1 1 A 32 32 PRO CB C 32 31.715 31.883 -0.168 1
1 275 . 2 1 1 A 33 33 ASP H H 33 8.758 8.450 0.308 1
1 276 . 2 1 1 A 33 33 ASP HA H 33 4.526 4.930 -0.404 1
1 279 . 2 1 1 A 33 33 ASP C C 33 175.667 177.374 -1.707 1
1 280 . 2 1 1 A 33 33 ASP CA C 33 51.908 53.283 -1.375 1
1 281 . 2 1 1 A 33 33 ASP CB C 33 41.113 41.613 -0.500 1
1 282 . 2 1 1 A 33 33 ASP N N 33 123.573 121.421 2.152 1
1 283 . 2 1 1 A 34 34 ALA H H 34 8.274 8.927 -0.653 1
1 284 . 2 1 1 A 34 34 ALA HA H 34 3.914 3.931 -0.017 1
1 288 . 2 1 1 A 34 34 ALA C C 34 180.742 179.383 1.359 1
1 289 . 2 1 1 A 34 34 ALA CA C 34 56.073 55.703 0.370 1
1 290 . 2 1 1 A 34 34 ALA CB C 34 18.510 18.390 0.120 1
1 291 . 2 1 1 A 34 34 ALA N N 34 119.222 123.945 -4.723 1
1 292 . 2 1 1 A 35 35 LYS H H 35 7.931 8.293 -0.362 1
1 293 . 2 1 1 A 35 35 LYS HA H 35 4.019 3.915 0.104 1
1 302 . 2 1 1 A 35 35 LYS C C 35 179.430 178.680 0.750 1
1 303 . 2 1 1 A 35 35 LYS CA C 35 59.485 59.792 -0.307 1
1 304 . 2 1 1 A 35 35 LYS CB C 35 31.535 32.279 -0.744 1
1 308 . 2 1 1 A 35 35 LYS N N 35 119.343 118.263 1.080 1
1 309 . 2 1 1 A 36 36 ASP H H 36 8.611 8.002 0.609 1
1 310 . 2 1 1 A 36 36 ASP HA H 36 4.408 4.415 -0.007 1
1 313 . 2 1 1 A 36 36 ASP C C 36 179.479 178.834 0.645 1
1 314 . 2 1 1 A 36 36 ASP CA C 36 57.090 57.269 -0.179 1
1 315 . 2 1 1 A 36 36 ASP CB C 36 39.930 40.555 -0.625 1
1 316 . 2 1 1 A 36 36 ASP N N 36 123.478 119.467 4.011 1
1 317 . 2 1 1 A 37 37 LEU H H 37 8.743 8.406 0.337 1
1 318 . 2 1 1 A 37 37 LEU HA H 37 3.805 3.720 0.085 1
1 328 . 2 1 1 A 37 37 LEU C C 37 178.799 178.926 -0.127 1
1 329 . 2 1 1 A 37 37 LEU CA C 37 58.148 57.851 0.297 1
1 330 . 2 1 1 A 37 37 LEU CB C 37 42.233 41.609 0.624 1
1 334 . 2 1 1 A 37 37 LEU N N 37 120.010 120.797 -0.787 1
1 335 . 2 1 1 A 38 38 LYS H H 38 7.756 8.537 -0.781 1
1 336 . 2 1 1 A 38 38 LYS HA H 38 3.956 3.986 -0.030 1
1 343 . 2 1 1 A 38 38 LYS C C 38 179.090 178.557 0.533 1
1 344 . 2 1 1 A 38 38 LYS CA C 38 59.950 59.089 0.861 1
1 345 . 2 1 1 A 38 38 LYS CB C 38 32.315 32.145 0.170 1
1 349 . 2 1 1 A 38 38 LYS N N 38 120.326 117.702 2.624 1
1 350 . 2 1 1 A 39 39 GLN H H 39 7.634 7.556 0.078 1
1 351 . 2 1 1 A 39 39 GLN HA H 39 4.156 4.019 0.137 1
1 358 . 2 1 1 A 39 39 GLN C C 39 178.896 178.868 0.028 1
1 359 . 2 1 1 A 39 39 GLN CA C 39 58.888 58.741 0.147 1
1 360 . 2 1 1 A 39 39 GLN CB C 39 28.441 28.256 0.185 1
1 362 . 2 1 1 A 39 39 GLN N N 39 119.272 119.181 0.091 1
1 364 . 2 1 1 A 40 40 LEU H H 40 8.541 8.238 0.303 1
1 365 . 2 1 1 A 40 40 LEU HA H 40 3.848 3.957 -0.109 1
1 375 . 2 1 1 A 40 40 LEU C C 40 180.256 178.695 1.561 1
1 376 . 2 1 1 A 40 40 LEU CA C 40 57.866 57.793 0.073 1
1 377 . 2 1 1 A 40 40 LEU CB C 40 43.074 41.191 1.883 1
1 381 . 2 1 1 A 40 40 LEU N N 40 120.555 119.924 0.631 1
1 382 . 2 1 1 A 41 41 ALA H H 41 8.633 8.288 0.345 1
1 383 . 2 1 1 A 41 41 ALA HA H 41 4.032 4.124 -0.092 1
1 387 . 2 1 1 A 41 41 ALA C C 41 179.722 179.531 0.191 1
1 388 . 2 1 1 A 41 41 ALA CA C 41 55.923 55.705 0.218 1
1 389 . 2 1 1 A 41 41 ALA CB C 41 17.836 18.494 -0.658 1
1 390 . 2 1 1 A 41 41 ALA N N 41 127.288 121.060 6.228 1
1 391 . 2 1 1 A 42 42 GLN H H 42 7.698 7.271 0.427 1
1 392 . 2 1 1 A 42 42 GLN HA H 42 4.034 4.237 -0.203 1
1 399 . 2 1 1 A 42 42 GLN C C 42 178.848 178.172 0.676 1
1 400 . 2 1 1 A 42 42 GLN CA C 42 58.853 58.075 0.778 1
1 401 . 2 1 1 A 42 42 GLN CB C 42 28.276 28.688 -0.412 1
1 403 . 2 1 1 A 42 42 GLN N N 42 118.543 117.400 1.143 1
1 405 . 2 1 1 A 43 43 LYS H H 43 8.099 8.099 0.000 1
1 406 . 2 1 1 A 43 43 LYS HA H 43 4.172 4.092 0.080 1
1 415 . 2 1 1 A 43 43 LYS C C 43 178.581 177.905 0.676 1
1 416 . 2 1 1 A 43 43 LYS CA C 43 58.741 58.520 0.221 1
1 417 . 2 1 1 A 43 43 LYS CB C 43 34.128 32.367 1.761 1
1 421 . 2 1 1 A 43 43 LYS N N 43 116.650 119.089 -2.439 1
1 422 . 2 1 1 A 44 44 THR H H 44 8.053 7.728 0.325 1
1 423 . 2 1 1 A 44 44 THR HA H 44 4.517 4.535 -0.018 1
1 428 . 2 1 1 A 44 44 THR C C 44 176.104 175.981 0.123 1
1 429 . 2 1 1 A 44 44 THR CA C 44 63.114 61.973 1.141 1
1 430 . 2 1 1 A 44 44 THR CB C 44 72.379 71.429 0.950 1
1 432 . 2 1 1 A 44 44 THR N N 44 105.200 107.966 -2.766 1
1 433 . 2 1 1 A 45 45 GLY H H 45 8.327 8.371 -0.044 1
1 434 . 2 1 1 A 45 45 GLY HA2 H 45 3.882 3.942 -0.060 1
1 435 . 2 1 1 A 45 45 GLY HA3 H 45 4.257 3.944 0.313 1
1 436 . 2 1 1 A 45 45 GLY C C 45 174.283 174.175 0.108 1
1 437 . 2 1 1 A 45 45 GLY CA C 45 45.950 45.032 0.918 1
1 438 . 2 1 1 A 45 45 GLY N N 45 111.805 111.376 0.429 1
1 439 . 2 1 1 A 46 46 LEU H H 46 7.710 7.392 0.318 1
1 440 . 2 1 1 A 46 46 LEU HA H 46 4.692 4.440 0.252 1
1 450 . 2 1 1 A 46 46 LEU C C 46 176.249 177.401 -1.152 1
1 451 . 2 1 1 A 46 46 LEU CA C 46 53.293 54.714 -1.421 1
1 452 . 2 1 1 A 46 46 LEU CB C 46 44.084 42.510 1.574 1
1 456 . 2 1 1 A 46 46 LEU N N 46 121.162 122.557 -1.395 1
1 457 . 2 1 1 A 47 47 THR H H 47 7.718 8.688 -0.970 1
1 458 . 2 1 1 A 47 47 THR HA H 47 4.379 4.674 -0.295 1
1 463 . 2 1 1 A 47 47 THR C C 47 175.594 175.553 0.041 1
1 464 . 2 1 1 A 47 47 THR CA C 47 60.475 60.457 0.018 1
1 465 . 2 1 1 A 47 47 THR CB C 47 71.045 71.386 -0.341 1
1 467 . 2 1 1 A 47 47 THR N N 47 107.953 113.905 -5.952 1
1 468 . 2 1 1 A 48 48 LYS H H 48 8.750 8.939 -0.189 1
1 469 . 2 1 1 A 48 48 LYS HA H 48 3.788 3.891 -0.103 1
1 478 . 2 1 1 A 48 48 LYS C C 48 178.119 178.287 -0.168 1
1 479 . 2 1 1 A 48 48 LYS CA C 48 60.816 60.035 0.781 1
1 480 . 2 1 1 A 48 48 LYS CB C 48 32.050 32.397 -0.347 1
1 484 . 2 1 1 A 48 48 LYS N N 48 120.566 122.803 -2.237 1
1 485 . 2 1 1 A 49 49 ARG H H 49 8.274 7.889 0.385 1
1 486 . 2 1 1 A 49 49 ARG HA H 49 4.214 4.104 0.110 1
1 492 . 2 1 1 A 49 49 ARG C C 49 178.216 178.637 -0.421 1
1 493 . 2 1 1 A 49 49 ARG CA C 49 59.170 59.056 0.114 1
1 494 . 2 1 1 A 49 49 ARG CB C 49 30.181 30.191 -0.010 1
1 497 . 2 1 1 A 49 49 ARG N N 49 116.915 119.199 -2.284 1
1 498 . 2 1 1 A 50 50 VAL H H 50 7.310 7.614 -0.304 1
1 499 . 2 1 1 A 50 50 VAL HA H 50 3.730 3.679 0.051 1
1 507 . 2 1 1 A 50 50 VAL C C 50 179.406 178.467 0.939 1
1 508 . 2 1 1 A 50 50 VAL CA C 50 66.576 66.806 -0.230 1
1 509 . 2 1 1 A 50 50 VAL CB C 50 31.655 31.620 0.035 1
1 512 . 2 1 1 A 50 50 VAL N N 50 119.540 119.364 0.176 1
1 513 . 2 1 1 A 51 51 LEU H H 51 8.115 7.920 0.195 1
1 514 . 2 1 1 A 51 51 LEU HA H 51 4.133 3.981 0.152 1
1 524 . 2 1 1 A 51 51 LEU C C 51 178.726 179.025 -0.299 1
1 525 . 2 1 1 A 51 51 LEU CA C 51 58.465 58.459 0.006 1
1 526 . 2 1 1 A 51 51 LEU CB C 51 43.173 41.674 1.499 1
1 530 . 2 1 1 A 51 51 LEU N N 51 120.715 118.864 1.851 1
1 531 . 2 1 1 A 52 52 GLN H H 52 8.981 8.459 0.522 1
1 532 . 2 1 1 A 52 52 GLN HA H 52 4.131 4.005 0.126 1
1 539 . 2 1 1 A 52 52 GLN C C 52 179.600 178.819 0.781 1
1 540 . 2 1 1 A 52 52 GLN CA C 52 60.226 58.832 1.394 1
1 541 . 2 1 1 A 52 52 GLN CB C 52 29.018 28.458 0.560 1
1 543 . 2 1 1 A 52 52 GLN N N 52 118.651 116.629 2.022 1
1 545 . 2 1 1 A 53 53 VAL H H 53 8.057 8.674 -0.617 1
1 546 . 2 1 1 A 53 53 VAL HA H 53 3.723 3.674 0.049 1
1 554 . 2 1 1 A 53 53 VAL C C 53 177.755 178.368 -0.613 1
1 555 . 2 1 1 A 53 53 VAL CA C 53 66.646 66.826 -0.180 1
1 556 . 2 1 1 A 53 53 VAL CB C 53 32.196 31.684 0.512 1
1 559 . 2 1 1 A 53 53 VAL N N 53 120.778 120.045 0.733 1
1 560 . 2 1 1 A 54 54 TRP H H 54 8.377 8.436 -0.059 1
1 561 . 2 1 1 A 54 54 TRP HA H 54 4.036 4.164 -0.128 1
1 570 . 2 1 1 A 54 54 TRP C C 54 180.110 178.017 2.093 1
1 571 . 2 1 1 A 54 54 TRP CA C 54 63.543 61.070 2.473 1
1 572 . 2 1 1 A 54 54 TRP CB C 54 28.771 29.668 -0.897 1
1 578 . 2 1 1 A 54 54 TRP N N 54 122.326 121.305 1.021 1
1 580 . 2 1 1 A 55 55 PHE H H 55 9.196 8.833 0.363 1
1 581 . 2 1 1 A 55 55 PHE HA H 55 3.808 4.100 -0.292 1
1 589 . 2 1 1 A 55 55 PHE C C 55 177.973 178.300 -0.327 1
1 590 . 2 1 1 A 55 55 PHE CA C 55 63.557 61.483 2.074 1
1 591 . 2 1 1 A 55 55 PHE CB C 55 39.139 39.105 0.034 1
1 597 . 2 1 1 A 55 55 PHE N N 55 118.085 118.052 0.033 1
1 598 . 2 1 1 A 56 56 GLN H H 56 8.289 8.505 -0.216 1
1 599 . 2 1 1 A 56 56 GLN HA H 56 3.992 4.009 -0.017 1
1 606 . 2 1 1 A 56 56 GLN C C 56 179.212 178.835 0.377 1
1 607 . 2 1 1 A 56 56 GLN CA C 56 59.699 59.321 0.378 1
1 608 . 2 1 1 A 56 56 GLN CB C 56 28.236 28.204 0.032 1
1 610 . 2 1 1 A 56 56 GLN N N 56 119.990 117.306 2.684 1
1 612 . 2 1 1 A 57 57 ASN H H 57 8.244 8.108 0.136 1
1 613 . 2 1 1 A 57 57 ASN HA H 57 4.341 4.397 -0.056 1
1 618 . 2 1 1 A 57 57 ASN C C 57 177.124 177.845 -0.721 1
1 619 . 2 1 1 A 57 57 ASN CA C 57 55.820 56.110 -0.290 1
1 620 . 2 1 1 A 57 57 ASN CB C 57 38.025 37.748 0.277 1
1 621 . 2 1 1 A 57 57 ASN N N 57 119.713 118.047 1.666 1
1 623 . 2 1 1 A 58 58 ALA H H 58 8.224 8.145 0.079 1
1 624 . 2 1 1 A 58 58 ALA HA H 58 3.323 3.581 -0.258 1
1 628 . 2 1 1 A 58 58 ALA C C 58 180.814 179.945 0.869 1
1 629 . 2 1 1 A 58 58 ALA CA C 58 54.712 54.699 0.013 1
1 630 . 2 1 1 A 58 58 ALA CB C 58 16.697 17.585 -0.888 1
1 631 . 2 1 1 A 58 58 ALA N N 58 125.439 122.481 2.958 1
1 632 . 2 1 1 A 59 59 ARG H H 59 8.404 7.693 0.711 1
1 633 . 2 1 1 A 59 59 ARG HA H 59 4.009 4.145 -0.136 1
1 640 . 2 1 1 A 59 59 ARG C C 59 178.678 178.564 0.114 1
1 641 . 2 1 1 A 59 59 ARG CA C 59 60.969 59.918 1.051 1
1 642 . 2 1 1 A 59 59 ARG CB C 59 31.491 30.219 1.272 1
1 645 . 2 1 1 A 59 59 ARG N N 59 118.829 118.022 0.807 1
1 646 . 2 1 1 A 60 60 ALA H H 60 7.711 8.174 -0.463 1
1 647 . 2 1 1 A 60 60 ALA HA H 60 4.162 4.046 0.116 1
1 651 . 2 1 1 A 60 60 ALA C C 60 180.086 179.289 0.797 1
1 652 . 2 1 1 A 60 60 ALA CA C 60 55.116 55.021 0.095 1
1 653 . 2 1 1 A 60 60 ALA CB C 60 17.993 18.146 -0.153 1
1 654 . 2 1 1 A 60 60 ALA N N 60 122.099 121.442 0.657 1
1 655 . 2 1 1 A 61 61 LYS H H 61 7.845 7.811 0.034 1
1 656 . 2 1 1 A 61 61 LYS HA H 61 3.912 3.965 -0.053 1
1 665 . 2 1 1 A 61 61 LYS C C 61 177.876 178.144 -0.268 1
1 666 . 2 1 1 A 61 61 LYS CA C 61 58.699 59.459 -0.760 1
1 667 . 2 1 1 A 61 61 LYS CB C 61 32.412 32.230 0.182 1
1 671 . 2 1 1 A 61 61 LYS N N 61 118.453 118.670 -0.217 1
1 672 . 2 1 1 A 62 62 PHE H H 62 7.986 8.481 -0.495 1
1 673 . 2 1 1 A 62 62 PHE HA H 62 4.249 4.055 0.194 1
1 681 . 2 1 1 A 62 62 PHE C C 62 177.148 177.145 0.003 1
1 682 . 2 1 1 A 62 62 PHE CA C 62 60.592 61.897 -1.305 1
1 683 . 2 1 1 A 62 62 PHE CB C 62 39.439 39.191 0.248 1
1 689 . 2 1 1 A 62 62 PHE N N 62 120.207 120.044 0.163 1
1 690 . 2 1 1 A 63 63 ARG H H 63 8.034 8.137 -0.103 1
1 691 . 2 1 1 A 63 63 ARG HA H 63 4.071 3.966 0.105 1
1 698 . 2 1 1 A 63 63 ARG C C 63 177.342 178.679 -1.337 1
1 699 . 2 1 1 A 63 63 ARG CA C 63 58.068 59.655 -1.587 1
1 700 . 2 1 1 A 63 63 ARG CB C 63 30.282 30.028 0.254 1
1 703 . 2 1 1 A 63 63 ARG N N 63 119.257 117.602 1.655 1
1 704 . 2 1 1 A 64 64 ARG H H 64 7.956 7.894 0.062 1
1 705 . 2 1 1 A 64 64 ARG HA H 64 4.096 3.956 0.140 1
1 712 . 2 1 1 A 64 64 ARG C C 64 177.366 178.109 -0.743 1
1 713 . 2 1 1 A 64 64 ARG CA C 64 57.971 59.360 -1.389 1
1 714 . 2 1 1 A 64 64 ARG CB C 64 30.419 29.833 0.586 1
1 717 . 2 1 1 A 64 64 ARG N N 64 119.492 119.757 -0.265 1
1 718 . 2 1 1 A 65 65 ASN H H 65 8.042 7.893 0.149 1
1 719 . 2 1 1 A 65 65 ASN HA H 65 4.537 4.326 0.211 1
1 724 . 2 1 1 A 65 65 ASN C C 65 176.152 177.521 -1.369 1
1 725 . 2 1 1 A 65 65 ASN CA C 65 54.348 55.973 -1.625 1
1 726 . 2 1 1 A 65 65 ASN CB C 65 38.466 39.065 -0.599 1
1 727 . 2 1 1 A 65 65 ASN N N 65 117.555 117.949 -0.394 1
1 729 . 2 1 1 A 66 66 LEU H H 66 7.777 7.763 0.014 1
1 730 . 2 1 1 A 66 66 LEU HA H 66 4.140 3.728 0.412 1
1 740 . 2 1 1 A 66 66 LEU C C 66 177.779 178.728 -0.949 1
1 741 . 2 1 1 A 66 66 LEU CA C 66 56.138 57.886 -1.748 1
1 742 . 2 1 1 A 66 66 LEU CB C 66 42.160 41.482 0.678 1
1 746 . 2 1 1 A 66 66 LEU N N 66 121.103 119.870 1.233 1
1 747 . 2 1 1 A 67 67 LEU H H 67 7.861 7.946 -0.085 1
1 748 . 2 1 1 A 67 67 LEU HA H 67 4.252 4.009 0.243 1
1 758 . 2 1 1 A 67 67 LEU C C 67 177.245 177.114 0.131 1
1 759 . 2 1 1 A 67 67 LEU CA C 67 55.445 57.640 -2.195 1
1 760 . 2 1 1 A 67 67 LEU CB C 67 42.122 41.705 0.417 1
1 764 . 2 1 1 A 67 67 LEU N N 67 120.121 118.849 1.272 1
1 765 . 2 1 1 A 68 68 ARG H H 68 7.963 7.645 0.318 1
1 766 . 2 1 1 A 68 68 ARG HA H 68 4.265 4.448 -0.183 1
1 773 . 2 1 1 A 68 68 ARG C C 68 175.934 174.855 1.079 1
1 774 . 2 1 1 A 68 68 ARG CA C 68 56.208 55.061 1.147 1
1 775 . 2 1 1 A 68 68 ARG CB C 68 30.839 30.042 0.797 1
1 778 . 2 1 1 A 68 68 ARG N N 68 120.189 117.226 2.963 1
1 779 . 2 1 1 A 69 69 GLN H H 69 8.303 8.661 -0.358 1
1 780 . 2 1 1 A 69 69 GLN HA H 69 4.320 4.287 0.033 1
1 787 . 2 1 1 A 69 69 GLN C C 69 175.740 175.924 -0.184 1
1 788 . 2 1 1 A 69 69 GLN CA C 69 55.891 54.800 1.091 1
1 789 . 2 1 1 A 69 69 GLN CB C 69 29.556 29.964 -0.408 1
1 791 . 2 1 1 A 69 69 GLN N N 69 121.097 125.735 -4.638 1
1 793 . 2 1 1 A 70 70 GLU H H 70 8.391 8.567 -0.176 1
1 794 . 2 1 1 A 70 70 GLU HA H 70 4.290 4.392 -0.102 1
1 799 . 2 1 1 A 70 70 GLU C C 70 175.254 176.344 -1.090 1
1 800 . 2 1 1 A 70 70 GLU CA C 70 56.490 56.605 -0.115 1
1 801 . 2 1 1 A 70 70 GLU CB C 70 30.636 30.480 0.156 1
1 803 . 2 1 1 A 70 70 GLU N N 70 122.138 122.919 -0.781 1
1 804 . 2 1 1 A 71 71 ASN H H 71 8.095 8.660 -0.565 1
1 805 . 2 1 1 A 71 71 ASN HA H 71 4.462 5.139 -0.677 1
1 810 . 2 1 1 A 71 71 ASN C C 71 179.333 174.619 4.714 1
1 811 . 2 1 1 A 71 71 ASN CA C 71 55.009 52.455 2.554 1
1 812 . 2 1 1 A 71 71 ASN CB C 71 41.051 39.177 1.874 1
1 813 . 2 1 1 A 71 71 ASN N N 71 124.912 121.810 3.102 1
1 815 . 2 1 1 A 72 72 GLY HA2 H 72 3.944 4.116 -0.172 1
1 816 . 2 1 1 A 72 72 GLY HA3 H 72 3.872 4.117 -0.245 1
1 817 . 2 1 1 A 72 72 GLY C C 72 175.060 174.398 0.662 1
1 818 . 2 1 1 A 72 72 GLY CA C 72 45.579 44.984 0.595 1
1 819 . 2 1 1 A 73 73 GLY H H 73 8.416 8.477 -0.061 1
1 820 . 2 1 1 A 73 73 GLY HA2 H 73 3.947 4.207 -0.260 1
1 821 . 2 1 1 A 73 73 GLY HA3 H 73 3.947 4.207 -0.260 1
1 822 . 2 1 1 A 73 73 GLY C C 73 174.356 172.171 2.185 1
1 823 . 2 1 1 A 73 73 GLY CA C 73 45.280 46.340 -1.060 1
1 824 . 2 1 1 A 73 73 GLY N N 73 108.960 110.480 -1.520 1
1 825 . 2 1 1 A 74 74 VAL H H 74 8.059 8.327 -0.268 1
1 826 . 2 1 1 A 74 74 VAL HA H 74 4.181 3.939 0.242 1
1 834 . 2 1 1 A 74 74 VAL C C 74 176.419 176.856 -0.437 1
1 835 . 2 1 1 A 74 74 VAL CA C 74 62.309 62.945 -0.636 1
1 836 . 2 1 1 A 74 74 VAL CB C 74 32.843 31.832 1.011 1
1 839 . 2 1 1 A 74 74 VAL N N 74 118.980 124.120 -5.140 1
1 840 . 2 1 1 A 75 75 SER H H 75 8.430 8.977 -0.547 1
1 841 . 2 1 1 A 75 75 SER HA H 75 4.493 4.167 0.326 1
1 844 . 2 1 1 A 75 75 SER C C 75 174.525 174.669 -0.144 1
1 845 . 2 1 1 A 75 75 SER CA C 75 58.349 60.135 -1.786 1
1 846 . 2 1 1 A 75 75 SER CB C 75 63.880 63.810 0.070 1
1 847 . 2 1 1 A 75 75 SER N N 75 119.288 122.623 -3.335 1
1 848 . 2 1 1 A 76 76 GLY H H 76 8.206 7.627 0.579 1
1 849 . 2 1 1 A 76 76 GLY C C 76 171.757 172.882 -1.125 1
1 850 . 2 1 1 A 76 76 GLY CA C 76 44.642 44.549 0.093 1
1 851 . 2 1 1 A 76 76 GLY N N 76 110.769 106.986 3.783 1
1 852 . 2 1 1 A 79 79 SER HA H 79 4.474 5.106 -0.632 1
1 855 . 2 1 1 A 79 79 SER C C 79 173.918 173.879 0.039 1
1 856 . 2 1 1 A 79 79 SER CA C 79 58.430 56.250 2.180 1
1 857 . 2 1 1 A 79 79 SER CB C 79 64.045 66.010 -1.965 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.959 4.083 -0.124 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.959 4.086 -0.127 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.210 171.964 2.246 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.270 46.109 -0.839 1
1 5 . 3 1 1 A 8 8 LYS H H 8 7.993 8.399 -0.406 1
1 6 . 3 1 1 A 8 8 LYS C C 8 176.347 176.360 -0.013 1
1 7 . 3 1 1 A 8 8 LYS CA C 8 62.168 55.811 6.357 1
1 8 . 3 1 1 A 8 8 LYS CB C 8 32.974 33.644 -0.670 1
1 9 . 3 1 1 A 8 8 LYS N N 8 118.865 121.645 -2.780 1
1 10 . 3 1 1 A 12 12 THR HA H 12 4.227 4.583 -0.356 1
1 15 . 3 1 1 A 12 12 THR CA C 12 61.902 60.130 1.772 1
1 16 . 3 1 1 A 12 12 THR CB C 12 69.926 71.212 -1.286 1
1 18 . 3 1 1 A 13 13 SER HA H 13 4.401 4.361 0.040 1
1 21 . 3 1 1 A 13 13 SER C C 13 173.627 174.595 -0.968 1
1 22 . 3 1 1 A 13 13 SER CA C 13 57.513 59.069 -1.556 1
1 23 . 3 1 1 A 13 13 SER CB C 13 63.880 63.494 0.386 1
1 24 . 3 1 1 A 14 14 PHE H H 14 8.197 8.506 -0.309 1
1 25 . 3 1 1 A 14 14 PHE HA H 14 4.701 4.738 -0.037 1
1 33 . 3 1 1 A 14 14 PHE C C 14 176.177 175.664 0.513 1
1 34 . 3 1 1 A 14 14 PHE CA C 14 57.539 57.956 -0.417 1
1 35 . 3 1 1 A 14 14 PHE CB C 14 41.041 40.231 0.810 1
1 41 . 3 1 1 A 14 14 PHE N N 14 121.084 123.626 -2.542 1
1 42 . 3 1 1 A 15 15 LYS H H 15 8.548 9.076 -0.528 1
1 43 . 3 1 1 A 15 15 LYS HA H 15 4.449 4.394 0.055 1
1 51 . 3 1 1 A 15 15 LYS C C 15 178.532 178.022 0.510 1
1 52 . 3 1 1 A 15 15 LYS CA C 15 55.291 55.512 -0.221 1
1 53 . 3 1 1 A 15 15 LYS CB C 15 33.993 33.048 0.945 1
1 57 . 3 1 1 A 15 15 LYS N N 15 120.600 121.107 -0.507 1
1 58 . 3 1 1 A 16 16 HIS HA H 16 4.238 4.424 -0.186 1
1 62 . 3 1 1 A 16 16 HIS CA C 16 60.805 57.702 3.103 1
1 63 . 3 1 1 A 16 16 HIS CB C 16 30.416 29.392 1.024 1
1 65 . 3 1 1 A 17 17 HIS HA H 17 4.218 4.349 -0.131 1
1 69 . 3 1 1 A 17 17 HIS C C 17 177.731 177.656 0.075 1
1 70 . 3 1 1 A 17 17 HIS CA C 17 58.994 59.018 -0.024 1
1 71 . 3 1 1 A 17 17 HIS CB C 17 29.627 30.267 -0.640 1
1 73 . 3 1 1 A 18 18 GLN H H 18 6.563 8.021 -1.458 1
1 74 . 3 1 1 A 18 18 GLN HA H 18 3.747 3.977 -0.230 1
1 81 . 3 1 1 A 18 18 GLN C C 18 177.051 178.000 -0.949 1
1 82 . 3 1 1 A 18 18 GLN CA C 18 58.148 58.489 -0.341 1
1 83 . 3 1 1 A 18 18 GLN CB C 18 27.752 28.605 -0.853 1
1 85 . 3 1 1 A 18 18 GLN N N 18 119.371 116.848 2.523 1
1 87 . 3 1 1 A 19 19 LEU H H 19 7.532 7.691 -0.159 1
1 88 . 3 1 1 A 19 19 LEU HA H 19 3.570 3.597 -0.027 1
1 98 . 3 1 1 A 19 19 LEU C C 19 178.362 178.751 -0.389 1
1 99 . 3 1 1 A 19 19 LEU CA C 19 57.464 57.676 -0.212 1
1 100 . 3 1 1 A 19 19 LEU CB C 19 42.092 41.401 0.691 1
1 104 . 3 1 1 A 19 19 LEU N N 19 118.862 120.430 -1.568 1
1 105 . 3 1 1 A 20 20 ARG H H 20 8.168 8.196 -0.028 1
1 106 . 3 1 1 A 20 20 ARG HA H 20 3.899 3.964 -0.065 1
1 113 . 3 1 1 A 20 20 ARG C C 20 179.358 178.210 1.148 1
1 114 . 3 1 1 A 20 20 ARG CA C 20 59.641 59.250 0.391 1
1 115 . 3 1 1 A 20 20 ARG CB C 20 29.869 30.142 -0.273 1
1 118 . 3 1 1 A 20 20 ARG N N 20 118.228 119.753 -1.525 1
1 119 . 3 1 1 A 21 21 THR H H 21 7.592 7.517 0.075 1
1 120 . 3 1 1 A 21 21 THR HA H 21 3.854 3.954 -0.100 1
1 125 . 3 1 1 A 21 21 THR C C 21 176.662 176.952 -0.290 1
1 126 . 3 1 1 A 21 21 THR CA C 21 66.646 66.794 -0.148 1
1 127 . 3 1 1 A 21 21 THR CB C 21 68.271 68.512 -0.241 1
1 129 . 3 1 1 A 21 21 THR N N 21 117.730 116.477 1.253 1
1 130 . 3 1 1 A 22 22 MET H H 22 7.910 7.889 0.021 1
1 131 . 3 1 1 A 22 22 MET HA H 22 3.537 4.178 -0.641 1
1 139 . 3 1 1 A 22 22 MET C C 22 177.099 178.726 -1.627 1
1 140 . 3 1 1 A 22 22 MET CA C 22 61.053 59.036 2.017 1
1 141 . 3 1 1 A 22 22 MET CB C 22 31.655 32.248 -0.593 1
1 144 . 3 1 1 A 22 22 MET N N 22 121.373 118.071 3.302 1
1 145 . 3 1 1 A 23 23 LYS H H 23 8.663 8.220 0.443 1
1 146 . 3 1 1 A 23 23 LYS HA H 23 4.037 4.274 -0.237 1
1 155 . 3 1 1 A 23 23 LYS C C 23 180.183 179.306 0.877 1
1 156 . 3 1 1 A 23 23 LYS CA C 23 60.743 60.386 0.357 1
1 157 . 3 1 1 A 23 23 LYS CB C 23 32.386 32.629 -0.243 1
1 161 . 3 1 1 A 23 23 LYS N N 23 117.749 120.228 -2.479 1
1 162 . 3 1 1 A 24 24 SER H H 24 8.182 8.285 -0.103 1
1 163 . 3 1 1 A 24 24 SER HA H 24 4.291 4.347 -0.056 1
1 166 . 3 1 1 A 24 24 SER C C 24 176.298 175.894 0.404 1
1 167 . 3 1 1 A 24 24 SER CA C 24 61.850 62.453 -0.603 1
1 168 . 3 1 1 A 24 24 SER CB C 24 62.661 63.302 -0.641 1
1 169 . 3 1 1 A 24 24 SER N N 24 115.784 116.045 -0.261 1
1 170 . 3 1 1 A 25 25 TYR H H 25 7.860 8.224 -0.364 1
1 171 . 3 1 1 A 25 25 TYR HA H 25 4.168 4.390 -0.222 1
1 178 . 3 1 1 A 25 25 TYR C C 25 177.731 177.860 -0.129 1
1 179 . 3 1 1 A 25 25 TYR CA C 25 62.168 61.834 0.334 1
1 180 . 3 1 1 A 25 25 TYR CB C 25 38.810 38.586 0.224 1
1 185 . 3 1 1 A 25 25 TYR N N 25 122.606 123.059 -0.453 1
1 186 . 3 1 1 A 26 26 PHE H H 26 9.057 8.785 0.272 1
1 187 . 3 1 1 A 26 26 PHE HA H 26 4.587 4.418 0.169 1
1 195 . 3 1 1 A 26 26 PHE C C 26 174.987 178.034 -3.047 1
1 196 . 3 1 1 A 26 26 PHE CA C 26 61.043 61.818 -0.775 1
1 197 . 3 1 1 A 26 26 PHE CB C 26 39.600 39.445 0.155 1
1 203 . 3 1 1 A 26 26 PHE N N 26 121.419 121.122 0.297 1
1 204 . 3 1 1 A 27 27 ALA H H 27 7.459 7.933 -0.474 1
1 205 . 3 1 1 A 27 27 ALA HA H 27 4.051 3.941 0.110 1
1 209 . 3 1 1 A 27 27 ALA C C 27 178.775 179.933 -1.158 1
1 210 . 3 1 1 A 27 27 ALA CA C 27 54.233 54.913 -0.680 1
1 211 . 3 1 1 A 27 27 ALA CB C 27 18.405 18.727 -0.322 1
1 212 . 3 1 1 A 27 27 ALA N N 27 114.718 121.095 -6.377 1
1 213 . 3 1 1 A 28 28 ILE H H 28 7.405 7.507 -0.102 1
1 214 . 3 1 1 A 28 28 ILE HA H 28 3.985 3.737 0.248 1
1 224 . 3 1 1 A 28 28 ILE C C 28 176.055 176.266 -0.211 1
1 225 . 3 1 1 A 28 28 ILE CA C 28 61.603 64.157 -2.554 1
1 226 . 3 1 1 A 28 28 ILE CB C 28 39.090 38.002 1.088 1
1 230 . 3 1 1 A 28 28 ILE N N 28 115.025 116.318 -1.293 1
1 231 . 3 1 1 A 29 29 ASN H H 29 8.087 7.997 0.090 1
1 232 . 3 1 1 A 29 29 ASN HA H 29 4.511 4.688 -0.177 1
1 237 . 3 1 1 A 29 29 ASN C C 29 172.947 175.107 -2.160 1
1 238 . 3 1 1 A 29 29 ASN CA C 29 52.594 52.138 0.456 1
1 239 . 3 1 1 A 29 29 ASN CB C 29 39.402 40.041 -0.639 1
1 240 . 3 1 1 A 29 29 ASN N N 29 119.219 116.985 2.234 1
1 242 . 3 1 1 A 30 30 HIS H H 30 8.408 8.182 0.226 1
1 243 . 3 1 1 A 30 30 HIS HA H 30 4.499 4.332 0.167 1
1 247 . 3 1 1 A 30 30 HIS C C 30 175.472 175.605 -0.133 1
1 248 . 3 1 1 A 30 30 HIS CA C 30 55.538 58.331 -2.793 1
1 249 . 3 1 1 A 30 30 HIS CB C 30 31.578 29.385 2.193 1
1 251 . 3 1 1 A 30 30 HIS N N 30 120.962 122.961 -1.999 1
1 252 . 3 1 1 A 31 31 ASN H H 31 7.931 7.818 0.113 1
1 253 . 3 1 1 A 31 31 ASN HA H 31 5.099 5.176 -0.077 1
1 258 . 3 1 1 A 31 31 ASN C C 31 170.762 172.461 -1.699 1
1 259 . 3 1 1 A 31 31 ASN CA C 31 51.130 50.750 0.380 1
1 260 . 3 1 1 A 31 31 ASN CB C 31 40.625 39.272 1.353 1
1 261 . 3 1 1 A 31 31 ASN N N 31 114.800 117.064 -2.264 1
1 263 . 3 1 1 A 32 32 PRO HA H 32 4.565 4.751 -0.186 1
1 270 . 3 1 1 A 32 32 PRO C C 32 176.832 175.451 1.381 1
1 271 . 3 1 1 A 32 32 PRO CA C 32 63.120 62.491 0.629 1
1 272 . 3 1 1 A 32 32 PRO CB C 32 31.715 32.554 -0.839 1
1 275 . 3 1 1 A 33 33 ASP H H 33 8.758 8.156 0.602 1
1 276 . 3 1 1 A 33 33 ASP HA H 33 4.526 5.048 -0.522 1
1 279 . 3 1 1 A 33 33 ASP C C 33 175.667 176.967 -1.300 1
1 280 . 3 1 1 A 33 33 ASP CA C 33 51.908 52.493 -0.585 1
1 281 . 3 1 1 A 33 33 ASP CB C 33 41.113 42.998 -1.885 1
1 282 . 3 1 1 A 33 33 ASP N N 33 123.573 120.630 2.943 1
1 283 . 3 1 1 A 34 34 ALA H H 34 8.274 8.804 -0.530 1
1 284 . 3 1 1 A 34 34 ALA HA H 34 3.914 4.012 -0.098 1
1 288 . 3 1 1 A 34 34 ALA C C 34 180.742 179.308 1.434 1
1 289 . 3 1 1 A 34 34 ALA CA C 34 56.073 55.657 0.416 1
1 290 . 3 1 1 A 34 34 ALA CB C 34 18.510 18.309 0.201 1
1 291 . 3 1 1 A 34 34 ALA N N 34 119.222 122.733 -3.511 1
1 292 . 3 1 1 A 35 35 LYS H H 35 7.931 8.162 -0.231 1
1 293 . 3 1 1 A 35 35 LYS HA H 35 4.019 3.877 0.142 1
1 302 . 3 1 1 A 35 35 LYS C C 35 179.430 178.680 0.750 1
1 303 . 3 1 1 A 35 35 LYS CA C 35 59.485 59.816 -0.331 1
1 304 . 3 1 1 A 35 35 LYS CB C 35 31.535 32.151 -0.616 1
1 308 . 3 1 1 A 35 35 LYS N N 35 119.343 118.483 0.860 1
1 309 . 3 1 1 A 36 36 ASP H H 36 8.611 8.154 0.457 1
1 310 . 3 1 1 A 36 36 ASP HA H 36 4.408 4.498 -0.090 1
1 313 . 3 1 1 A 36 36 ASP C C 36 179.479 178.925 0.554 1
1 314 . 3 1 1 A 36 36 ASP CA C 36 57.090 57.251 -0.161 1
1 315 . 3 1 1 A 36 36 ASP CB C 36 39.930 40.641 -0.711 1
1 316 . 3 1 1 A 36 36 ASP N N 36 123.478 119.578 3.900 1
1 317 . 3 1 1 A 37 37 LEU H H 37 8.743 8.342 0.401 1
1 318 . 3 1 1 A 37 37 LEU HA H 37 3.805 3.722 0.083 1
1 328 . 3 1 1 A 37 37 LEU C C 37 178.799 178.822 -0.023 1
1 329 . 3 1 1 A 37 37 LEU CA C 37 58.148 57.850 0.298 1
1 330 . 3 1 1 A 37 37 LEU CB C 37 42.233 41.668 0.565 1
1 334 . 3 1 1 A 37 37 LEU N N 37 120.010 121.114 -1.104 1
1 335 . 3 1 1 A 38 38 LYS H H 38 7.756 8.317 -0.561 1
1 336 . 3 1 1 A 38 38 LYS HA H 38 3.956 4.030 -0.074 1
1 343 . 3 1 1 A 38 38 LYS C C 38 179.090 178.457 0.633 1
1 344 . 3 1 1 A 38 38 LYS CA C 38 59.950 59.169 0.781 1
1 345 . 3 1 1 A 38 38 LYS CB C 38 32.315 32.171 0.144 1
1 349 . 3 1 1 A 38 38 LYS N N 38 120.326 117.728 2.598 1
1 350 . 3 1 1 A 39 39 GLN H H 39 7.634 7.521 0.113 1
1 351 . 3 1 1 A 39 39 GLN HA H 39 4.156 4.019 0.137 1
1 358 . 3 1 1 A 39 39 GLN C C 39 178.896 179.096 -0.200 1
1 359 . 3 1 1 A 39 39 GLN CA C 39 58.888 58.629 0.259 1
1 360 . 3 1 1 A 39 39 GLN CB C 39 28.441 28.215 0.226 1
1 362 . 3 1 1 A 39 39 GLN N N 39 119.272 119.186 0.086 1
1 364 . 3 1 1 A 40 40 LEU H H 40 8.541 8.063 0.478 1
1 365 . 3 1 1 A 40 40 LEU HA H 40 3.848 3.947 -0.099 1
1 375 . 3 1 1 A 40 40 LEU C C 40 180.256 178.782 1.474 1
1 376 . 3 1 1 A 40 40 LEU CA C 40 57.866 57.782 0.084 1
1 377 . 3 1 1 A 40 40 LEU CB C 40 43.074 41.648 1.426 1
1 381 . 3 1 1 A 40 40 LEU N N 40 120.555 120.082 0.473 1
1 382 . 3 1 1 A 41 41 ALA H H 41 8.633 8.324 0.309 1
1 383 . 3 1 1 A 41 41 ALA HA H 41 4.032 4.111 -0.079 1
1 387 . 3 1 1 A 41 41 ALA C C 41 179.722 179.312 0.410 1
1 388 . 3 1 1 A 41 41 ALA CA C 41 55.923 54.675 1.248 1
1 389 . 3 1 1 A 41 41 ALA CB C 41 17.836 18.472 -0.636 1
1 390 . 3 1 1 A 41 41 ALA N N 41 127.288 120.252 7.036 1
1 391 . 3 1 1 A 42 42 GLN H H 42 7.698 7.723 -0.025 1
1 392 . 3 1 1 A 42 42 GLN HA H 42 4.034 4.260 -0.226 1
1 399 . 3 1 1 A 42 42 GLN C C 42 178.848 178.054 0.794 1
1 400 . 3 1 1 A 42 42 GLN CA C 42 58.853 57.573 1.280 1
1 401 . 3 1 1 A 42 42 GLN CB C 42 28.276 29.517 -1.241 1
1 403 . 3 1 1 A 42 42 GLN N N 42 118.543 116.309 2.234 1
1 405 . 3 1 1 A 43 43 LYS H H 43 8.099 7.649 0.450 1
1 406 . 3 1 1 A 43 43 LYS HA H 43 4.172 4.048 0.124 1
1 415 . 3 1 1 A 43 43 LYS C C 43 178.581 178.094 0.487 1
1 416 . 3 1 1 A 43 43 LYS CA C 43 58.741 58.989 -0.248 1
1 417 . 3 1 1 A 43 43 LYS CB C 43 34.128 32.286 1.842 1
1 421 . 3 1 1 A 43 43 LYS N N 43 116.650 118.952 -2.302 1
1 422 . 3 1 1 A 44 44 THR H H 44 8.053 7.935 0.118 1
1 423 . 3 1 1 A 44 44 THR HA H 44 4.517 4.519 -0.002 1
1 428 . 3 1 1 A 44 44 THR C C 44 176.104 175.991 0.113 1
1 429 . 3 1 1 A 44 44 THR CA C 44 63.114 62.264 0.850 1
1 430 . 3 1 1 A 44 44 THR CB C 44 72.379 71.567 0.812 1
1 432 . 3 1 1 A 44 44 THR N N 44 105.200 107.739 -2.539 1
1 433 . 3 1 1 A 45 45 GLY H H 45 8.327 8.050 0.277 1
1 434 . 3 1 1 A 45 45 GLY HA2 H 45 3.882 3.932 -0.050 1
1 435 . 3 1 1 A 45 45 GLY HA3 H 45 4.257 3.935 0.322 1
1 436 . 3 1 1 A 45 45 GLY C C 45 174.283 174.177 0.106 1
1 437 . 3 1 1 A 45 45 GLY CA C 45 45.950 44.993 0.957 1
1 438 . 3 1 1 A 45 45 GLY N N 45 111.805 111.179 0.626 1
1 439 . 3 1 1 A 46 46 LEU H H 46 7.710 7.396 0.314 1
1 440 . 3 1 1 A 46 46 LEU HA H 46 4.692 4.501 0.191 1
1 450 . 3 1 1 A 46 46 LEU C C 46 176.249 176.477 -0.228 1
1 451 . 3 1 1 A 46 46 LEU CA C 46 53.293 54.564 -1.271 1
1 452 . 3 1 1 A 46 46 LEU CB C 46 44.084 42.508 1.576 1
1 456 . 3 1 1 A 46 46 LEU N N 46 121.162 122.189 -1.027 1
1 457 . 3 1 1 A 47 47 THR H H 47 7.718 8.514 -0.796 1
1 458 . 3 1 1 A 47 47 THR HA H 47 4.379 4.578 -0.199 1
1 463 . 3 1 1 A 47 47 THR C C 47 175.594 175.205 0.389 1
1 464 . 3 1 1 A 47 47 THR CA C 47 60.475 60.618 -0.143 1
1 465 . 3 1 1 A 47 47 THR CB C 47 71.045 70.435 0.610 1
1 467 . 3 1 1 A 47 47 THR N N 47 107.953 115.331 -7.378 1
1 468 . 3 1 1 A 48 48 LYS H H 48 8.750 8.958 -0.208 1
1 469 . 3 1 1 A 48 48 LYS HA H 48 3.788 3.901 -0.113 1
1 478 . 3 1 1 A 48 48 LYS C C 48 178.119 178.230 -0.111 1
1 479 . 3 1 1 A 48 48 LYS CA C 48 60.816 60.129 0.687 1
1 480 . 3 1 1 A 48 48 LYS CB C 48 32.050 32.112 -0.062 1
1 484 . 3 1 1 A 48 48 LYS N N 48 120.566 127.018 -6.452 1
1 485 . 3 1 1 A 49 49 ARG H H 49 8.274 7.821 0.453 1
1 486 . 3 1 1 A 49 49 ARG HA H 49 4.214 4.071 0.143 1
1 492 . 3 1 1 A 49 49 ARG C C 49 178.216 178.622 -0.406 1
1 493 . 3 1 1 A 49 49 ARG CA C 49 59.170 59.128 0.042 1
1 494 . 3 1 1 A 49 49 ARG CB C 49 30.181 30.244 -0.063 1
1 497 . 3 1 1 A 49 49 ARG N N 49 116.915 119.347 -2.432 1
1 498 . 3 1 1 A 50 50 VAL H H 50 7.310 8.088 -0.778 1
1 499 . 3 1 1 A 50 50 VAL HA H 50 3.730 3.708 0.022 1
1 507 . 3 1 1 A 50 50 VAL C C 50 179.406 178.520 0.886 1
1 508 . 3 1 1 A 50 50 VAL CA C 50 66.576 66.885 -0.309 1
1 509 . 3 1 1 A 50 50 VAL CB C 50 31.655 31.688 -0.033 1
1 512 . 3 1 1 A 50 50 VAL N N 50 119.540 119.884 -0.344 1
1 513 . 3 1 1 A 51 51 LEU H H 51 8.115 8.048 0.067 1
1 514 . 3 1 1 A 51 51 LEU HA H 51 4.133 3.982 0.151 1
1 524 . 3 1 1 A 51 51 LEU C C 51 178.726 179.407 -0.681 1
1 525 . 3 1 1 A 51 51 LEU CA C 51 58.465 58.397 0.068 1
1 526 . 3 1 1 A 51 51 LEU CB C 51 43.173 41.163 2.010 1
1 530 . 3 1 1 A 51 51 LEU N N 51 120.715 119.093 1.622 1
1 531 . 3 1 1 A 52 52 GLN H H 52 8.981 8.324 0.657 1
1 532 . 3 1 1 A 52 52 GLN HA H 52 4.131 4.035 0.096 1
1 539 . 3 1 1 A 52 52 GLN C C 52 179.600 178.634 0.966 1
1 540 . 3 1 1 A 52 52 GLN CA C 52 60.226 58.688 1.538 1
1 541 . 3 1 1 A 52 52 GLN CB C 52 29.018 28.423 0.595 1
1 543 . 3 1 1 A 52 52 GLN N N 52 118.651 117.312 1.339 1
1 545 . 3 1 1 A 53 53 VAL H H 53 8.057 8.199 -0.142 1
1 546 . 3 1 1 A 53 53 VAL HA H 53 3.723 3.747 -0.024 1
1 554 . 3 1 1 A 53 53 VAL C C 53 177.755 178.362 -0.607 1
1 555 . 3 1 1 A 53 53 VAL CA C 53 66.646 66.822 -0.176 1
1 556 . 3 1 1 A 53 53 VAL CB C 53 32.196 31.627 0.569 1
1 559 . 3 1 1 A 53 53 VAL N N 53 120.778 120.388 0.390 1
1 560 . 3 1 1 A 54 54 TRP H H 54 8.377 8.255 0.122 1
1 561 . 3 1 1 A 54 54 TRP HA H 54 4.036 4.294 -0.258 1
1 570 . 3 1 1 A 54 54 TRP C C 54 180.110 178.014 2.096 1
1 571 . 3 1 1 A 54 54 TRP CA C 54 63.543 61.191 2.352 1
1 572 . 3 1 1 A 54 54 TRP CB C 54 28.771 29.908 -1.137 1
1 578 . 3 1 1 A 54 54 TRP N N 54 122.326 121.626 0.700 1
1 580 . 3 1 1 A 55 55 PHE H H 55 9.196 8.613 0.583 1
1 581 . 3 1 1 A 55 55 PHE HA H 55 3.808 4.199 -0.391 1
1 589 . 3 1 1 A 55 55 PHE C C 55 177.973 178.359 -0.386 1
1 590 . 3 1 1 A 55 55 PHE CA C 55 63.557 61.995 1.562 1
1 591 . 3 1 1 A 55 55 PHE CB C 55 39.139 38.609 0.530 1
1 597 . 3 1 1 A 55 55 PHE N N 55 118.085 118.062 0.023 1
1 598 . 3 1 1 A 56 56 GLN H H 56 8.289 8.283 0.006 1
1 599 . 3 1 1 A 56 56 GLN HA H 56 3.992 3.951 0.041 1
1 606 . 3 1 1 A 56 56 GLN C C 56 179.212 179.044 0.168 1
1 607 . 3 1 1 A 56 56 GLN CA C 56 59.699 59.531 0.168 1
1 608 . 3 1 1 A 56 56 GLN CB C 56 28.236 28.389 -0.153 1
1 610 . 3 1 1 A 56 56 GLN N N 56 119.990 117.649 2.341 1
1 612 . 3 1 1 A 57 57 ASN H H 57 8.244 8.209 0.035 1
1 613 . 3 1 1 A 57 57 ASN HA H 57 4.341 4.362 -0.021 1
1 618 . 3 1 1 A 57 57 ASN C C 57 177.124 177.845 -0.721 1
1 619 . 3 1 1 A 57 57 ASN CA C 57 55.820 56.133 -0.313 1
1 620 . 3 1 1 A 57 57 ASN CB C 57 38.025 37.695 0.330 1
1 621 . 3 1 1 A 57 57 ASN N N 57 119.713 118.176 1.537 1
1 623 . 3 1 1 A 58 58 ALA H H 58 8.224 7.872 0.352 1
1 624 . 3 1 1 A 58 58 ALA HA H 58 3.323 3.634 -0.311 1
1 628 . 3 1 1 A 58 58 ALA C C 58 180.814 179.975 0.839 1
1 629 . 3 1 1 A 58 58 ALA CA C 58 54.712 54.902 -0.190 1
1 630 . 3 1 1 A 58 58 ALA CB C 58 16.697 17.485 -0.788 1
1 631 . 3 1 1 A 58 58 ALA N N 58 125.439 122.798 2.641 1
1 632 . 3 1 1 A 59 59 ARG H H 59 8.404 7.770 0.634 1
1 633 . 3 1 1 A 59 59 ARG HA H 59 4.009 4.186 -0.177 1
1 640 . 3 1 1 A 59 59 ARG C C 59 178.678 178.804 -0.126 1
1 641 . 3 1 1 A 59 59 ARG CA C 59 60.969 59.751 1.218 1
1 642 . 3 1 1 A 59 59 ARG CB C 59 31.491 29.989 1.502 1
1 645 . 3 1 1 A 59 59 ARG N N 59 118.829 117.873 0.956 1
1 646 . 3 1 1 A 60 60 ALA H H 60 7.711 8.031 -0.320 1
1 647 . 3 1 1 A 60 60 ALA HA H 60 4.162 4.067 0.095 1
1 651 . 3 1 1 A 60 60 ALA C C 60 180.086 179.128 0.958 1
1 652 . 3 1 1 A 60 60 ALA CA C 60 55.116 55.242 -0.126 1
1 653 . 3 1 1 A 60 60 ALA CB C 60 17.993 18.160 -0.167 1
1 654 . 3 1 1 A 60 60 ALA N N 60 122.099 121.788 0.311 1
1 655 . 3 1 1 A 61 61 LYS H H 61 7.845 7.761 0.084 1
1 656 . 3 1 1 A 61 61 LYS HA H 61 3.912 3.961 -0.049 1
1 665 . 3 1 1 A 61 61 LYS C C 61 177.876 178.246 -0.370 1
1 666 . 3 1 1 A 61 61 LYS CA C 61 58.699 59.586 -0.887 1
1 667 . 3 1 1 A 61 61 LYS CB C 61 32.412 32.080 0.332 1
1 671 . 3 1 1 A 61 61 LYS N N 61 118.453 118.786 -0.333 1
1 672 . 3 1 1 A 62 62 PHE H H 62 7.986 8.525 -0.539 1
1 673 . 3 1 1 A 62 62 PHE HA H 62 4.249 4.052 0.197 1
1 681 . 3 1 1 A 62 62 PHE C C 62 177.148 177.128 0.020 1
1 682 . 3 1 1 A 62 62 PHE CA C 62 60.592 61.918 -1.326 1
1 683 . 3 1 1 A 62 62 PHE CB C 62 39.439 39.126 0.313 1
1 689 . 3 1 1 A 62 62 PHE N N 62 120.207 120.632 -0.425 1
1 690 . 3 1 1 A 63 63 ARG H H 63 8.034 8.113 -0.079 1
1 691 . 3 1 1 A 63 63 ARG HA H 63 4.071 3.989 0.082 1
1 698 . 3 1 1 A 63 63 ARG C C 63 177.342 178.553 -1.211 1
1 699 . 3 1 1 A 63 63 ARG CA C 63 58.068 59.671 -1.603 1
1 700 . 3 1 1 A 63 63 ARG CB C 63 30.282 30.265 0.017 1
1 703 . 3 1 1 A 63 63 ARG N N 63 119.257 118.114 1.143 1
1 704 . 3 1 1 A 64 64 ARG H H 64 7.956 7.892 0.064 1
1 705 . 3 1 1 A 64 64 ARG HA H 64 4.096 4.032 0.064 1
1 712 . 3 1 1 A 64 64 ARG C C 64 177.366 178.569 -1.203 1
1 713 . 3 1 1 A 64 64 ARG CA C 64 57.971 59.159 -1.188 1
1 714 . 3 1 1 A 64 64 ARG CB C 64 30.419 29.871 0.548 1
1 717 . 3 1 1 A 64 64 ARG N N 64 119.492 119.777 -0.285 1
1 718 . 3 1 1 A 65 65 ASN H H 65 8.042 8.010 0.032 1
1 719 . 3 1 1 A 65 65 ASN HA H 65 4.537 4.365 0.172 1
1 724 . 3 1 1 A 65 65 ASN C C 65 176.152 177.766 -1.614 1
1 725 . 3 1 1 A 65 65 ASN CA C 65 54.348 56.517 -2.169 1
1 726 . 3 1 1 A 65 65 ASN CB C 65 38.466 39.413 -0.947 1
1 727 . 3 1 1 A 65 65 ASN N N 65 117.555 118.397 -0.842 1
1 729 . 3 1 1 A 66 66 LEU H H 66 7.777 7.732 0.045 1
1 730 . 3 1 1 A 66 66 LEU HA H 66 4.140 3.861 0.279 1
1 740 . 3 1 1 A 66 66 LEU C C 66 177.779 178.995 -1.216 1
1 741 . 3 1 1 A 66 66 LEU CA C 66 56.138 57.935 -1.797 1
1 742 . 3 1 1 A 66 66 LEU CB C 66 42.160 41.841 0.319 1
1 746 . 3 1 1 A 66 66 LEU N N 66 121.103 119.994 1.109 1
1 747 . 3 1 1 A 67 67 LEU H H 67 7.861 7.789 0.072 1
1 748 . 3 1 1 A 67 67 LEU HA H 67 4.252 4.006 0.246 1
1 758 . 3 1 1 A 67 67 LEU C C 67 177.245 177.504 -0.259 1
1 759 . 3 1 1 A 67 67 LEU CA C 67 55.445 57.795 -2.350 1
1 760 . 3 1 1 A 67 67 LEU CB C 67 42.122 41.383 0.739 1
1 764 . 3 1 1 A 67 67 LEU N N 67 120.121 118.498 1.623 1
1 765 . 3 1 1 A 68 68 ARG H H 68 7.963 7.738 0.225 1
1 766 . 3 1 1 A 68 68 ARG HA H 68 4.265 3.978 0.287 1
1 773 . 3 1 1 A 68 68 ARG C C 68 175.934 177.061 -1.127 1
1 774 . 3 1 1 A 68 68 ARG CA C 68 56.208 56.339 -0.131 1
1 775 . 3 1 1 A 68 68 ARG CB C 68 30.839 31.037 -0.198 1
1 778 . 3 1 1 A 68 68 ARG N N 68 120.189 120.238 -0.049 1
1 779 . 3 1 1 A 69 69 GLN H H 69 8.303 8.901 -0.598 1
1 780 . 3 1 1 A 69 69 GLN HA H 69 4.320 3.989 0.331 1
1 787 . 3 1 1 A 69 69 GLN C C 69 175.740 175.407 0.333 1
1 788 . 3 1 1 A 69 69 GLN CA C 69 55.891 56.660 -0.769 1
1 789 . 3 1 1 A 69 69 GLN CB C 69 29.556 26.414 3.142 1
1 791 . 3 1 1 A 69 69 GLN N N 69 121.097 124.784 -3.687 1
1 793 . 3 1 1 A 70 70 GLU H H 70 8.391 7.908 0.483 1
1 794 . 3 1 1 A 70 70 GLU HA H 70 4.290 4.197 0.093 1
1 799 . 3 1 1 A 70 70 GLU C C 70 175.254 176.237 -0.983 1
1 800 . 3 1 1 A 70 70 GLU CA C 70 56.490 57.592 -1.102 1
1 801 . 3 1 1 A 70 70 GLU CB C 70 30.636 30.102 0.534 1
1 803 . 3 1 1 A 70 70 GLU N N 70 122.138 119.555 2.583 1
1 804 . 3 1 1 A 71 71 ASN H H 71 8.095 8.852 -0.757 1
1 805 . 3 1 1 A 71 71 ASN HA H 71 4.462 4.904 -0.442 1
1 810 . 3 1 1 A 71 71 ASN C C 71 179.333 174.704 4.629 1
1 811 . 3 1 1 A 71 71 ASN CA C 71 55.009 53.421 1.588 1
1 812 . 3 1 1 A 71 71 ASN CB C 71 41.051 39.575 1.476 1
1 813 . 3 1 1 A 71 71 ASN N N 71 124.912 123.715 1.197 1
1 815 . 3 1 1 A 72 72 GLY HA2 H 72 3.944 4.096 -0.152 1
1 816 . 3 1 1 A 72 72 GLY HA3 H 72 3.872 4.097 -0.225 1
1 817 . 3 1 1 A 72 72 GLY C C 72 175.060 174.729 0.331 1
1 818 . 3 1 1 A 72 72 GLY CA C 72 45.579 46.184 -0.605 1
1 819 . 3 1 1 A 73 73 GLY H H 73 8.416 8.389 0.027 1
1 820 . 3 1 1 A 73 73 GLY HA2 H 73 3.947 3.749 0.198 1
1 821 . 3 1 1 A 73 73 GLY HA3 H 73 3.947 3.749 0.198 1
1 822 . 3 1 1 A 73 73 GLY C C 73 174.356 175.612 -1.256 1
1 823 . 3 1 1 A 73 73 GLY CA C 73 45.280 47.305 -2.025 1
1 824 . 3 1 1 A 73 73 GLY N N 73 108.960 110.061 -1.101 1
1 825 . 3 1 1 A 74 74 VAL H H 74 8.059 7.788 0.271 1
1 826 . 3 1 1 A 74 74 VAL HA H 74 4.181 3.944 0.237 1
1 834 . 3 1 1 A 74 74 VAL C C 74 176.419 175.434 0.985 1
1 835 . 3 1 1 A 74 74 VAL CA C 74 62.309 62.776 -0.467 1
1 836 . 3 1 1 A 74 74 VAL CB C 74 32.843 31.616 1.227 1
1 839 . 3 1 1 A 74 74 VAL N N 74 118.980 119.229 -0.249 1
1 840 . 3 1 1 A 75 75 SER H H 75 8.430 8.794 -0.364 1
1 841 . 3 1 1 A 75 75 SER HA H 75 4.493 4.714 -0.221 1
1 844 . 3 1 1 A 75 75 SER C C 75 174.525 173.750 0.775 1
1 845 . 3 1 1 A 75 75 SER CA C 75 58.349 57.932 0.417 1
1 846 . 3 1 1 A 75 75 SER CB C 75 63.880 64.401 -0.521 1
1 847 . 3 1 1 A 75 75 SER N N 75 119.288 123.648 -4.360 1
1 848 . 3 1 1 A 76 76 GLY H H 76 8.206 8.285 -0.079 1
1 849 . 3 1 1 A 76 76 GLY C C 76 171.757 174.249 -2.492 1
1 850 . 3 1 1 A 76 76 GLY CA C 76 44.642 45.534 -0.892 1
1 851 . 3 1 1 A 76 76 GLY N N 76 110.769 110.010 0.759 1
1 852 . 3 1 1 A 79 79 SER HA H 79 4.474 4.350 0.124 1
1 855 . 3 1 1 A 79 79 SER C C 79 173.918 175.589 -1.671 1
1 856 . 3 1 1 A 79 79 SER CA C 79 58.430 60.195 -1.765 1
1 857 . 3 1 1 A 79 79 SER CB C 79 64.045 64.024 0.021 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.959 4.048 -0.089 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.959 4.049 -0.090 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.210 172.904 1.306 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.270 44.804 0.466 1
1 5 . 4 1 1 A 8 8 LYS H H 8 7.993 8.365 -0.372 1
1 6 . 4 1 1 A 8 8 LYS C C 8 176.347 174.159 2.188 1
1 7 . 4 1 1 A 8 8 LYS CA C 8 62.168 54.913 7.255 1
1 8 . 4 1 1 A 8 8 LYS CB C 8 32.974 36.751 -3.777 1
1 9 . 4 1 1 A 8 8 LYS N N 8 118.865 115.884 2.981 1
1 10 . 4 1 1 A 12 12 THR HA H 12 4.227 4.844 -0.617 1
1 15 . 4 1 1 A 12 12 THR CA C 12 61.902 59.146 2.756 1
1 16 . 4 1 1 A 12 12 THR CB C 12 69.926 71.116 -1.190 1
1 18 . 4 1 1 A 13 13 SER HA H 13 4.401 4.158 0.243 1
1 21 . 4 1 1 A 13 13 SER C C 13 173.627 174.006 -0.379 1
1 22 . 4 1 1 A 13 13 SER CA C 13 57.513 58.660 -1.147 1
1 23 . 4 1 1 A 13 13 SER CB C 13 63.880 63.594 0.286 1
1 24 . 4 1 1 A 14 14 PHE H H 14 8.197 8.851 -0.654 1
1 25 . 4 1 1 A 14 14 PHE HA H 14 4.701 5.035 -0.334 1
1 33 . 4 1 1 A 14 14 PHE C C 14 176.177 175.398 0.779 1
1 34 . 4 1 1 A 14 14 PHE CA C 14 57.539 56.075 1.464 1
1 35 . 4 1 1 A 14 14 PHE CB C 14 41.041 42.824 -1.783 1
1 41 . 4 1 1 A 14 14 PHE N N 14 121.084 124.121 -3.037 1
1 42 . 4 1 1 A 15 15 LYS H H 15 8.548 8.937 -0.389 1
1 43 . 4 1 1 A 15 15 LYS HA H 15 4.449 4.472 -0.023 1
1 51 . 4 1 1 A 15 15 LYS C C 15 178.532 178.064 0.468 1
1 52 . 4 1 1 A 15 15 LYS CA C 15 55.291 56.239 -0.948 1
1 53 . 4 1 1 A 15 15 LYS CB C 15 33.993 32.699 1.294 1
1 57 . 4 1 1 A 15 15 LYS N N 15 120.600 122.413 -1.813 1
1 58 . 4 1 1 A 16 16 HIS HA H 16 4.238 4.377 -0.139 1
1 62 . 4 1 1 A 16 16 HIS CA C 16 60.805 58.607 2.198 1
1 63 . 4 1 1 A 16 16 HIS CB C 16 30.416 29.269 1.147 1
1 65 . 4 1 1 A 17 17 HIS HA H 17 4.218 3.785 0.433 1
1 69 . 4 1 1 A 17 17 HIS C C 17 177.731 176.726 1.005 1
1 70 . 4 1 1 A 17 17 HIS CA C 17 58.994 59.468 -0.474 1
1 71 . 4 1 1 A 17 17 HIS CB C 17 29.627 29.823 -0.196 1
1 73 . 4 1 1 A 18 18 GLN H H 18 6.563 8.235 -1.672 1
1 74 . 4 1 1 A 18 18 GLN HA H 18 3.747 3.742 0.005 1
1 81 . 4 1 1 A 18 18 GLN C C 18 177.051 178.201 -1.150 1
1 82 . 4 1 1 A 18 18 GLN CA C 18 58.148 58.211 -0.063 1
1 83 . 4 1 1 A 18 18 GLN CB C 18 27.752 28.368 -0.616 1
1 85 . 4 1 1 A 18 18 GLN N N 18 119.371 117.301 2.070 1
1 87 . 4 1 1 A 19 19 LEU H H 19 7.532 7.936 -0.404 1
1 88 . 4 1 1 A 19 19 LEU HA H 19 3.570 3.617 -0.047 1
1 98 . 4 1 1 A 19 19 LEU C C 19 178.362 178.642 -0.280 1
1 99 . 4 1 1 A 19 19 LEU CA C 19 57.464 57.779 -0.315 1
1 100 . 4 1 1 A 19 19 LEU CB C 19 42.092 41.441 0.651 1
1 104 . 4 1 1 A 19 19 LEU N N 19 118.862 120.371 -1.509 1
1 105 . 4 1 1 A 20 20 ARG H H 20 8.168 7.800 0.368 1
1 106 . 4 1 1 A 20 20 ARG HA H 20 3.899 3.963 -0.064 1
1 113 . 4 1 1 A 20 20 ARG C C 20 179.358 178.434 0.924 1
1 114 . 4 1 1 A 20 20 ARG CA C 20 59.641 59.109 0.532 1
1 115 . 4 1 1 A 20 20 ARG CB C 20 29.869 29.869 0.000 1
1 118 . 4 1 1 A 20 20 ARG N N 20 118.228 120.107 -1.879 1
1 119 . 4 1 1 A 21 21 THR H H 21 7.592 7.548 0.044 1
1 120 . 4 1 1 A 21 21 THR HA H 21 3.854 3.941 -0.087 1
1 125 . 4 1 1 A 21 21 THR C C 21 176.662 176.666 -0.004 1
1 126 . 4 1 1 A 21 21 THR CA C 21 66.646 66.851 -0.205 1
1 127 . 4 1 1 A 21 21 THR CB C 21 68.271 68.589 -0.318 1
1 129 . 4 1 1 A 21 21 THR N N 21 117.730 116.136 1.594 1
1 130 . 4 1 1 A 22 22 MET H H 22 7.910 7.787 0.123 1
1 131 . 4 1 1 A 22 22 MET HA H 22 3.537 4.141 -0.604 1
1 139 . 4 1 1 A 22 22 MET C C 22 177.099 178.614 -1.515 1
1 140 . 4 1 1 A 22 22 MET CA C 22 61.053 58.764 2.289 1
1 141 . 4 1 1 A 22 22 MET CB C 22 31.655 32.239 -0.584 1
1 144 . 4 1 1 A 22 22 MET N N 22 121.373 117.938 3.435 1
1 145 . 4 1 1 A 23 23 LYS H H 23 8.663 8.311 0.352 1
1 146 . 4 1 1 A 23 23 LYS HA H 23 4.037 4.253 -0.216 1
1 155 . 4 1 1 A 23 23 LYS C C 23 180.183 179.686 0.497 1
1 156 . 4 1 1 A 23 23 LYS CA C 23 60.743 60.019 0.724 1
1 157 . 4 1 1 A 23 23 LYS CB C 23 32.386 32.560 -0.174 1
1 161 . 4 1 1 A 23 23 LYS N N 23 117.749 120.204 -2.455 1
1 162 . 4 1 1 A 24 24 SER H H 24 8.182 7.833 0.349 1
1 163 . 4 1 1 A 24 24 SER HA H 24 4.291 4.218 0.073 1
1 166 . 4 1 1 A 24 24 SER C C 24 176.298 176.182 0.116 1
1 167 . 4 1 1 A 24 24 SER CA C 24 61.850 62.492 -0.642 1
1 168 . 4 1 1 A 24 24 SER CB C 24 62.661 63.394 -0.733 1
1 169 . 4 1 1 A 24 24 SER N N 24 115.784 116.062 -0.278 1
1 170 . 4 1 1 A 25 25 TYR H H 25 7.860 8.081 -0.221 1
1 171 . 4 1 1 A 25 25 TYR HA H 25 4.168 4.334 -0.166 1
1 178 . 4 1 1 A 25 25 TYR C C 25 177.731 177.909 -0.178 1
1 179 . 4 1 1 A 25 25 TYR CA C 25 62.168 61.644 0.524 1
1 180 . 4 1 1 A 25 25 TYR CB C 25 38.810 38.779 0.031 1
1 185 . 4 1 1 A 25 25 TYR N N 25 122.606 122.975 -0.369 1
1 186 . 4 1 1 A 26 26 PHE H H 26 9.057 8.548 0.509 1
1 187 . 4 1 1 A 26 26 PHE HA H 26 4.587 4.557 0.030 1
1 195 . 4 1 1 A 26 26 PHE C C 26 174.987 177.944 -2.957 1
1 196 . 4 1 1 A 26 26 PHE CA C 26 61.043 61.708 -0.665 1
1 197 . 4 1 1 A 26 26 PHE CB C 26 39.600 39.607 -0.007 1
1 203 . 4 1 1 A 26 26 PHE N N 26 121.419 121.106 0.313 1
1 204 . 4 1 1 A 27 27 ALA H H 27 7.459 7.822 -0.363 1
1 205 . 4 1 1 A 27 27 ALA HA H 27 4.051 4.087 -0.036 1
1 209 . 4 1 1 A 27 27 ALA C C 27 178.775 180.212 -1.437 1
1 210 . 4 1 1 A 27 27 ALA CA C 27 54.233 54.883 -0.650 1
1 211 . 4 1 1 A 27 27 ALA CB C 27 18.405 18.890 -0.485 1
1 212 . 4 1 1 A 27 27 ALA N N 27 114.718 120.850 -6.132 1
1 213 . 4 1 1 A 28 28 ILE H H 28 7.405 7.741 -0.336 1
1 214 . 4 1 1 A 28 28 ILE HA H 28 3.985 3.856 0.129 1
1 224 . 4 1 1 A 28 28 ILE C C 28 176.055 175.741 0.314 1
1 225 . 4 1 1 A 28 28 ILE CA C 28 61.603 63.156 -1.553 1
1 226 . 4 1 1 A 28 28 ILE CB C 28 39.090 38.556 0.534 1
1 230 . 4 1 1 A 28 28 ILE N N 28 115.025 115.876 -0.851 1
1 231 . 4 1 1 A 29 29 ASN H H 29 8.087 8.013 0.074 1
1 232 . 4 1 1 A 29 29 ASN HA H 29 4.511 4.734 -0.223 1
1 237 . 4 1 1 A 29 29 ASN C C 29 172.947 174.635 -1.688 1
1 238 . 4 1 1 A 29 29 ASN CA C 29 52.594 51.842 0.752 1
1 239 . 4 1 1 A 29 29 ASN CB C 29 39.402 40.960 -1.558 1
1 240 . 4 1 1 A 29 29 ASN N N 29 119.219 116.533 2.686 1
1 242 . 4 1 1 A 30 30 HIS H H 30 8.408 8.410 -0.002 1
1 243 . 4 1 1 A 30 30 HIS HA H 30 4.499 4.675 -0.176 1
1 247 . 4 1 1 A 30 30 HIS C C 30 175.472 175.453 0.019 1
1 248 . 4 1 1 A 30 30 HIS CA C 30 55.538 58.215 -2.677 1
1 249 . 4 1 1 A 30 30 HIS CB C 30 31.578 30.235 1.343 1
1 251 . 4 1 1 A 30 30 HIS N N 30 120.962 123.347 -2.385 1
1 252 . 4 1 1 A 31 31 ASN H H 31 7.931 8.118 -0.187 1
1 253 . 4 1 1 A 31 31 ASN HA H 31 5.099 5.125 -0.026 1
1 258 . 4 1 1 A 31 31 ASN C C 31 170.762 172.564 -1.802 1
1 259 . 4 1 1 A 31 31 ASN CA C 31 51.130 50.731 0.399 1
1 260 . 4 1 1 A 31 31 ASN CB C 31 40.625 39.483 1.142 1
1 261 . 4 1 1 A 31 31 ASN N N 31 114.800 116.697 -1.897 1
1 263 . 4 1 1 A 32 32 PRO HA H 32 4.565 4.674 -0.109 1
1 270 . 4 1 1 A 32 32 PRO C C 32 176.832 176.882 -0.050 1
1 271 . 4 1 1 A 32 32 PRO CA C 32 63.120 62.513 0.607 1
1 272 . 4 1 1 A 32 32 PRO CB C 32 31.715 32.047 -0.332 1
1 275 . 4 1 1 A 33 33 ASP H H 33 8.758 8.280 0.478 1
1 276 . 4 1 1 A 33 33 ASP HA H 33 4.526 4.782 -0.256 1
1 279 . 4 1 1 A 33 33 ASP C C 33 175.667 177.482 -1.815 1
1 280 . 4 1 1 A 33 33 ASP CA C 33 51.908 53.543 -1.635 1
1 281 . 4 1 1 A 33 33 ASP CB C 33 41.113 41.829 -0.716 1
1 282 . 4 1 1 A 33 33 ASP N N 33 123.573 121.566 2.007 1
1 283 . 4 1 1 A 34 34 ALA H H 34 8.274 8.859 -0.585 1
1 284 . 4 1 1 A 34 34 ALA HA H 34 3.914 3.995 -0.081 1
1 288 . 4 1 1 A 34 34 ALA C C 34 180.742 179.265 1.477 1
1 289 . 4 1 1 A 34 34 ALA CA C 34 56.073 55.501 0.572 1
1 290 . 4 1 1 A 34 34 ALA CB C 34 18.510 18.424 0.086 1
1 291 . 4 1 1 A 34 34 ALA N N 34 119.222 123.413 -4.191 1
1 292 . 4 1 1 A 35 35 LYS H H 35 7.931 8.264 -0.333 1
1 293 . 4 1 1 A 35 35 LYS HA H 35 4.019 3.902 0.117 1
1 302 . 4 1 1 A 35 35 LYS C C 35 179.430 178.710 0.720 1
1 303 . 4 1 1 A 35 35 LYS CA C 35 59.485 59.761 -0.276 1
1 304 . 4 1 1 A 35 35 LYS CB C 35 31.535 32.167 -0.632 1
1 308 . 4 1 1 A 35 35 LYS N N 35 119.343 118.599 0.744 1
1 309 . 4 1 1 A 36 36 ASP H H 36 8.611 8.116 0.495 1
1 310 . 4 1 1 A 36 36 ASP HA H 36 4.408 4.468 -0.060 1
1 313 . 4 1 1 A 36 36 ASP C C 36 179.479 178.926 0.553 1
1 314 . 4 1 1 A 36 36 ASP CA C 36 57.090 57.288 -0.198 1
1 315 . 4 1 1 A 36 36 ASP CB C 36 39.930 40.755 -0.825 1
1 316 . 4 1 1 A 36 36 ASP N N 36 123.478 119.317 4.161 1
1 317 . 4 1 1 A 37 37 LEU H H 37 8.743 8.455 0.288 1
1 318 . 4 1 1 A 37 37 LEU HA H 37 3.805 3.735 0.070 1
1 328 . 4 1 1 A 37 37 LEU C C 37 178.799 178.810 -0.011 1
1 329 . 4 1 1 A 37 37 LEU CA C 37 58.148 57.920 0.228 1
1 330 . 4 1 1 A 37 37 LEU CB C 37 42.233 41.719 0.514 1
1 334 . 4 1 1 A 37 37 LEU N N 37 120.010 120.664 -0.654 1
1 335 . 4 1 1 A 38 38 LYS H H 38 7.756 8.471 -0.715 1
1 336 . 4 1 1 A 38 38 LYS HA H 38 3.956 4.018 -0.062 1
1 343 . 4 1 1 A 38 38 LYS C C 38 179.090 178.572 0.518 1
1 344 . 4 1 1 A 38 38 LYS CA C 38 59.950 59.096 0.854 1
1 345 . 4 1 1 A 38 38 LYS CB C 38 32.315 32.235 0.080 1
1 349 . 4 1 1 A 38 38 LYS N N 38 120.326 117.719 2.607 1
1 350 . 4 1 1 A 39 39 GLN H H 39 7.634 7.593 0.041 1
1 351 . 4 1 1 A 39 39 GLN HA H 39 4.156 4.008 0.148 1
1 358 . 4 1 1 A 39 39 GLN C C 39 178.896 179.023 -0.127 1
1 359 . 4 1 1 A 39 39 GLN CA C 39 58.888 58.665 0.223 1
1 360 . 4 1 1 A 39 39 GLN CB C 39 28.441 28.116 0.325 1
1 362 . 4 1 1 A 39 39 GLN N N 39 119.272 119.169 0.103 1
1 364 . 4 1 1 A 40 40 LEU H H 40 8.541 7.993 0.548 1
1 365 . 4 1 1 A 40 40 LEU HA H 40 3.848 3.913 -0.065 1
1 375 . 4 1 1 A 40 40 LEU C C 40 180.256 178.466 1.790 1
1 376 . 4 1 1 A 40 40 LEU CA C 40 57.866 57.752 0.114 1
1 377 . 4 1 1 A 40 40 LEU CB C 40 43.074 41.523 1.551 1
1 381 . 4 1 1 A 40 40 LEU N N 40 120.555 120.166 0.389 1
1 382 . 4 1 1 A 41 41 ALA H H 41 8.633 8.318 0.315 1
1 383 . 4 1 1 A 41 41 ALA HA H 41 4.032 3.964 0.068 1
1 387 . 4 1 1 A 41 41 ALA C C 41 179.722 179.438 0.284 1
1 388 . 4 1 1 A 41 41 ALA CA C 41 55.923 54.895 1.028 1
1 389 . 4 1 1 A 41 41 ALA CB C 41 17.836 18.392 -0.556 1
1 390 . 4 1 1 A 41 41 ALA N N 41 127.288 120.400 6.888 1
1 391 . 4 1 1 A 42 42 GLN H H 42 7.698 7.644 0.054 1
1 392 . 4 1 1 A 42 42 GLN HA H 42 4.034 4.235 -0.201 1
1 399 . 4 1 1 A 42 42 GLN C C 42 178.848 178.146 0.702 1
1 400 . 4 1 1 A 42 42 GLN CA C 42 58.853 58.163 0.690 1
1 401 . 4 1 1 A 42 42 GLN CB C 42 28.276 28.956 -0.680 1
1 403 . 4 1 1 A 42 42 GLN N N 42 118.543 116.834 1.709 1
1 405 . 4 1 1 A 43 43 LYS H H 43 8.099 7.728 0.371 1
1 406 . 4 1 1 A 43 43 LYS HA H 43 4.172 4.078 0.094 1
1 415 . 4 1 1 A 43 43 LYS C C 43 178.581 177.761 0.820 1
1 416 . 4 1 1 A 43 43 LYS CA C 43 58.741 58.455 0.286 1
1 417 . 4 1 1 A 43 43 LYS CB C 43 34.128 32.089 2.039 1
1 421 . 4 1 1 A 43 43 LYS N N 43 116.650 119.600 -2.950 1
1 422 . 4 1 1 A 44 44 THR H H 44 8.053 7.619 0.434 1
1 423 . 4 1 1 A 44 44 THR HA H 44 4.517 4.527 -0.010 1
1 428 . 4 1 1 A 44 44 THR C C 44 176.104 175.891 0.213 1
1 429 . 4 1 1 A 44 44 THR CA C 44 63.114 62.047 1.067 1
1 430 . 4 1 1 A 44 44 THR CB C 44 72.379 71.424 0.955 1
1 432 . 4 1 1 A 44 44 THR N N 44 105.200 108.103 -2.903 1
1 433 . 4 1 1 A 45 45 GLY H H 45 8.327 8.427 -0.100 1
1 434 . 4 1 1 A 45 45 GLY HA2 H 45 3.882 3.969 -0.087 1
1 435 . 4 1 1 A 45 45 GLY HA3 H 45 4.257 3.977 0.280 1
1 436 . 4 1 1 A 45 45 GLY C C 45 174.283 174.317 -0.034 1
1 437 . 4 1 1 A 45 45 GLY CA C 45 45.950 44.934 1.016 1
1 438 . 4 1 1 A 45 45 GLY N N 45 111.805 111.226 0.579 1
1 439 . 4 1 1 A 46 46 LEU H H 46 7.710 7.480 0.230 1
1 440 . 4 1 1 A 46 46 LEU HA H 46 4.692 4.356 0.336 1
1 450 . 4 1 1 A 46 46 LEU C C 46 176.249 176.000 0.249 1
1 451 . 4 1 1 A 46 46 LEU CA C 46 53.293 55.052 -1.759 1
1 452 . 4 1 1 A 46 46 LEU CB C 46 44.084 42.505 1.579 1
1 456 . 4 1 1 A 46 46 LEU N N 46 121.162 122.613 -1.451 1
1 457 . 4 1 1 A 47 47 THR H H 47 7.718 8.273 -0.555 1
1 458 . 4 1 1 A 47 47 THR HA H 47 4.379 4.699 -0.320 1
1 463 . 4 1 1 A 47 47 THR C C 47 175.594 175.194 0.400 1
1 464 . 4 1 1 A 47 47 THR CA C 47 60.475 59.692 0.783 1
1 465 . 4 1 1 A 47 47 THR CB C 47 71.045 70.610 0.435 1
1 467 . 4 1 1 A 47 47 THR N N 47 107.953 114.437 -6.484 1
1 468 . 4 1 1 A 48 48 LYS H H 48 8.750 8.980 -0.230 1
1 469 . 4 1 1 A 48 48 LYS HA H 48 3.788 3.882 -0.094 1
1 478 . 4 1 1 A 48 48 LYS C C 48 178.119 178.064 0.055 1
1 479 . 4 1 1 A 48 48 LYS CA C 48 60.816 60.194 0.622 1
1 480 . 4 1 1 A 48 48 LYS CB C 48 32.050 32.099 -0.049 1
1 484 . 4 1 1 A 48 48 LYS N N 48 120.566 127.160 -6.594 1
1 485 . 4 1 1 A 49 49 ARG H H 49 8.274 7.714 0.560 1
1 486 . 4 1 1 A 49 49 ARG HA H 49 4.214 4.102 0.112 1
1 492 . 4 1 1 A 49 49 ARG C C 49 178.216 178.583 -0.367 1
1 493 . 4 1 1 A 49 49 ARG CA C 49 59.170 59.119 0.051 1
1 494 . 4 1 1 A 49 49 ARG CB C 49 30.181 30.049 0.132 1
1 497 . 4 1 1 A 49 49 ARG N N 49 116.915 119.472 -2.557 1
1 498 . 4 1 1 A 50 50 VAL H H 50 7.310 8.009 -0.699 1
1 499 . 4 1 1 A 50 50 VAL HA H 50 3.730 3.703 0.027 1
1 507 . 4 1 1 A 50 50 VAL C C 50 179.406 178.190 1.216 1
1 508 . 4 1 1 A 50 50 VAL CA C 50 66.576 66.643 -0.067 1
1 509 . 4 1 1 A 50 50 VAL CB C 50 31.655 31.698 -0.043 1
1 512 . 4 1 1 A 50 50 VAL N N 50 119.540 119.614 -0.074 1
1 513 . 4 1 1 A 51 51 LEU H H 51 8.115 8.171 -0.056 1
1 514 . 4 1 1 A 51 51 LEU HA H 51 4.133 3.938 0.195 1
1 524 . 4 1 1 A 51 51 LEU C C 51 178.726 178.979 -0.253 1
1 525 . 4 1 1 A 51 51 LEU CA C 51 58.465 58.320 0.145 1
1 526 . 4 1 1 A 51 51 LEU CB C 51 43.173 41.687 1.486 1
1 530 . 4 1 1 A 51 51 LEU N N 51 120.715 118.973 1.742 1
1 531 . 4 1 1 A 52 52 GLN H H 52 8.981 8.314 0.667 1
1 532 . 4 1 1 A 52 52 GLN HA H 52 4.131 3.966 0.165 1
1 539 . 4 1 1 A 52 52 GLN C C 52 179.600 178.783 0.817 1
1 540 . 4 1 1 A 52 52 GLN CA C 52 60.226 58.887 1.339 1
1 541 . 4 1 1 A 52 52 GLN CB C 52 29.018 28.313 0.705 1
1 543 . 4 1 1 A 52 52 GLN N N 52 118.651 116.788 1.863 1
1 545 . 4 1 1 A 53 53 VAL H H 53 8.057 8.384 -0.327 1
1 546 . 4 1 1 A 53 53 VAL HA H 53 3.723 3.697 0.026 1
1 554 . 4 1 1 A 53 53 VAL C C 53 177.755 178.327 -0.572 1
1 555 . 4 1 1 A 53 53 VAL CA C 53 66.646 66.813 -0.167 1
1 556 . 4 1 1 A 53 53 VAL CB C 53 32.196 31.648 0.548 1
1 559 . 4 1 1 A 53 53 VAL N N 53 120.778 120.252 0.526 1
1 560 . 4 1 1 A 54 54 TRP H H 54 8.377 8.467 -0.090 1
1 561 . 4 1 1 A 54 54 TRP HA H 54 4.036 4.184 -0.148 1
1 570 . 4 1 1 A 54 54 TRP C C 54 180.110 177.980 2.130 1
1 571 . 4 1 1 A 54 54 TRP CA C 54 63.543 61.072 2.471 1
1 572 . 4 1 1 A 54 54 TRP CB C 54 28.771 29.674 -0.903 1
1 578 . 4 1 1 A 54 54 TRP N N 54 122.326 121.365 0.961 1
1 580 . 4 1 1 A 55 55 PHE H H 55 9.196 8.763 0.433 1
1 581 . 4 1 1 A 55 55 PHE HA H 55 3.808 4.100 -0.292 1
1 589 . 4 1 1 A 55 55 PHE C C 55 177.973 178.311 -0.338 1
1 590 . 4 1 1 A 55 55 PHE CA C 55 63.557 62.350 1.207 1
1 591 . 4 1 1 A 55 55 PHE CB C 55 39.139 38.764 0.375 1
1 597 . 4 1 1 A 55 55 PHE N N 55 118.085 117.878 0.207 1
1 598 . 4 1 1 A 56 56 GLN H H 56 8.289 8.405 -0.116 1
1 599 . 4 1 1 A 56 56 GLN HA H 56 3.992 3.961 0.031 1
1 606 . 4 1 1 A 56 56 GLN C C 56 179.212 179.091 0.121 1
1 607 . 4 1 1 A 56 56 GLN CA C 56 59.699 59.276 0.423 1
1 608 . 4 1 1 A 56 56 GLN CB C 56 28.236 28.347 -0.111 1
1 610 . 4 1 1 A 56 56 GLN N N 56 119.990 117.637 2.353 1
1 612 . 4 1 1 A 57 57 ASN H H 57 8.244 8.033 0.211 1
1 613 . 4 1 1 A 57 57 ASN HA H 57 4.341 4.390 -0.049 1
1 618 . 4 1 1 A 57 57 ASN C C 57 177.124 177.792 -0.668 1
1 619 . 4 1 1 A 57 57 ASN CA C 57 55.820 56.179 -0.359 1
1 620 . 4 1 1 A 57 57 ASN CB C 57 38.025 38.214 -0.189 1
1 621 . 4 1 1 A 57 57 ASN N N 57 119.713 118.078 1.635 1
1 623 . 4 1 1 A 58 58 ALA H H 58 8.224 7.680 0.544 1
1 624 . 4 1 1 A 58 58 ALA HA H 58 3.323 3.530 -0.207 1
1 628 . 4 1 1 A 58 58 ALA C C 58 180.814 179.898 0.916 1
1 629 . 4 1 1 A 58 58 ALA CA C 58 54.712 54.953 -0.241 1
1 630 . 4 1 1 A 58 58 ALA CB C 58 16.697 17.166 -0.469 1
1 631 . 4 1 1 A 58 58 ALA N N 58 125.439 122.450 2.989 1
1 632 . 4 1 1 A 59 59 ARG H H 59 8.404 7.855 0.549 1
1 633 . 4 1 1 A 59 59 ARG HA H 59 4.009 4.295 -0.286 1
1 640 . 4 1 1 A 59 59 ARG C C 59 178.678 178.919 -0.241 1
1 641 . 4 1 1 A 59 59 ARG CA C 59 60.969 59.127 1.842 1
1 642 . 4 1 1 A 59 59 ARG CB C 59 31.491 29.856 1.635 1
1 645 . 4 1 1 A 59 59 ARG N N 59 118.829 117.768 1.061 1
1 646 . 4 1 1 A 60 60 ALA H H 60 7.711 8.093 -0.382 1
1 647 . 4 1 1 A 60 60 ALA HA H 60 4.162 4.097 0.065 1
1 651 . 4 1 1 A 60 60 ALA C C 60 180.086 179.465 0.621 1
1 652 . 4 1 1 A 60 60 ALA CA C 60 55.116 55.197 -0.081 1
1 653 . 4 1 1 A 60 60 ALA CB C 60 17.993 18.773 -0.780 1
1 654 . 4 1 1 A 60 60 ALA N N 60 122.099 122.676 -0.577 1
1 655 . 4 1 1 A 61 61 LYS H H 61 7.845 7.630 0.215 1
1 656 . 4 1 1 A 61 61 LYS HA H 61 3.912 4.052 -0.140 1
1 665 . 4 1 1 A 61 61 LYS C C 61 177.876 178.735 -0.859 1
1 666 . 4 1 1 A 61 61 LYS CA C 61 58.699 58.943 -0.244 1
1 667 . 4 1 1 A 61 61 LYS CB C 61 32.412 31.770 0.642 1
1 671 . 4 1 1 A 61 61 LYS N N 61 118.453 117.032 1.421 1
1 672 . 4 1 1 A 62 62 PHE H H 62 7.986 8.323 -0.337 1
1 673 . 4 1 1 A 62 62 PHE HA H 62 4.249 4.279 -0.030 1
1 681 . 4 1 1 A 62 62 PHE C C 62 177.148 177.245 -0.097 1
1 682 . 4 1 1 A 62 62 PHE CA C 62 60.592 61.961 -1.369 1
1 683 . 4 1 1 A 62 62 PHE CB C 62 39.439 39.328 0.111 1
1 689 . 4 1 1 A 62 62 PHE N N 62 120.207 121.534 -1.327 1
1 690 . 4 1 1 A 63 63 ARG H H 63 8.034 8.395 -0.361 1
1 691 . 4 1 1 A 63 63 ARG HA H 63 4.071 4.037 0.034 1
1 698 . 4 1 1 A 63 63 ARG C C 63 177.342 178.737 -1.395 1
1 699 . 4 1 1 A 63 63 ARG CA C 63 58.068 59.928 -1.860 1
1 700 . 4 1 1 A 63 63 ARG CB C 63 30.282 30.019 0.263 1
1 703 . 4 1 1 A 63 63 ARG N N 63 119.257 117.733 1.524 1
1 704 . 4 1 1 A 64 64 ARG H H 64 7.956 7.911 0.045 1
1 705 . 4 1 1 A 64 64 ARG HA H 64 4.096 3.993 0.103 1
1 712 . 4 1 1 A 64 64 ARG C C 64 177.366 178.159 -0.793 1
1 713 . 4 1 1 A 64 64 ARG CA C 64 57.971 59.232 -1.261 1
1 714 . 4 1 1 A 64 64 ARG CB C 64 30.419 30.078 0.341 1
1 717 . 4 1 1 A 64 64 ARG N N 64 119.492 119.798 -0.306 1
1 718 . 4 1 1 A 65 65 ASN H H 65 8.042 7.915 0.127 1
1 719 . 4 1 1 A 65 65 ASN HA H 65 4.537 4.336 0.201 1
1 724 . 4 1 1 A 65 65 ASN C C 65 176.152 177.757 -1.605 1
1 725 . 4 1 1 A 65 65 ASN CA C 65 54.348 56.101 -1.753 1
1 726 . 4 1 1 A 65 65 ASN CB C 65 38.466 38.727 -0.261 1
1 727 . 4 1 1 A 65 65 ASN N N 65 117.555 117.845 -0.290 1
1 729 . 4 1 1 A 66 66 LEU H H 66 7.777 7.475 0.302 1
1 730 . 4 1 1 A 66 66 LEU HA H 66 4.140 3.821 0.319 1
1 740 . 4 1 1 A 66 66 LEU C C 66 177.779 178.939 -1.160 1
1 741 . 4 1 1 A 66 66 LEU CA C 66 56.138 57.972 -1.834 1
1 742 . 4 1 1 A 66 66 LEU CB C 66 42.160 41.396 0.764 1
1 746 . 4 1 1 A 66 66 LEU N N 66 121.103 119.621 1.482 1
1 747 . 4 1 1 A 67 67 LEU H H 67 7.861 7.510 0.351 1
1 748 . 4 1 1 A 67 67 LEU HA H 67 4.252 3.955 0.297 1
1 758 . 4 1 1 A 67 67 LEU C C 67 177.245 176.505 0.740 1
1 759 . 4 1 1 A 67 67 LEU CA C 67 55.445 57.194 -1.749 1
1 760 . 4 1 1 A 67 67 LEU CB C 67 42.122 41.842 0.280 1
1 764 . 4 1 1 A 67 67 LEU N N 67 120.121 118.733 1.388 1
1 765 . 4 1 1 A 68 68 ARG H H 68 7.963 7.835 0.128 1
1 766 . 4 1 1 A 68 68 ARG HA H 68 4.265 3.931 0.334 1
1 773 . 4 1 1 A 68 68 ARG C C 68 175.934 174.980 0.954 1
1 774 . 4 1 1 A 68 68 ARG CA C 68 56.208 57.156 -0.948 1
1 775 . 4 1 1 A 68 68 ARG CB C 68 30.839 27.070 3.769 1
1 778 . 4 1 1 A 68 68 ARG N N 68 120.189 115.664 4.525 1
1 779 . 4 1 1 A 69 69 GLN H H 69 8.303 7.791 0.512 1
1 780 . 4 1 1 A 69 69 GLN HA H 69 4.320 4.475 -0.155 1
1 787 . 4 1 1 A 69 69 GLN C C 69 175.740 174.938 0.802 1
1 788 . 4 1 1 A 69 69 GLN CA C 69 55.891 54.791 1.100 1
1 789 . 4 1 1 A 69 69 GLN CB C 69 29.556 27.719 1.837 1
1 791 . 4 1 1 A 69 69 GLN N N 69 121.097 118.591 2.506 1
1 793 . 4 1 1 A 70 70 GLU H H 70 8.391 7.671 0.720 1
1 794 . 4 1 1 A 70 70 GLU HA H 70 4.290 4.671 -0.381 1
1 799 . 4 1 1 A 70 70 GLU C C 70 175.254 175.131 0.123 1
1 800 . 4 1 1 A 70 70 GLU CA C 70 56.490 54.681 1.809 1
1 801 . 4 1 1 A 70 70 GLU CB C 70 30.636 30.305 0.331 1
1 803 . 4 1 1 A 70 70 GLU N N 70 122.138 123.819 -1.681 1
1 804 . 4 1 1 A 71 71 ASN H H 71 8.095 8.741 -0.646 1
1 805 . 4 1 1 A 71 71 ASN HA H 71 4.462 4.616 -0.154 1
1 810 . 4 1 1 A 71 71 ASN C C 71 179.333 175.483 3.850 1
1 811 . 4 1 1 A 71 71 ASN CA C 71 55.009 54.115 0.894 1
1 812 . 4 1 1 A 71 71 ASN CB C 71 41.051 38.824 2.227 1
1 813 . 4 1 1 A 71 71 ASN N N 71 124.912 123.891 1.021 1
1 815 . 4 1 1 A 72 72 GLY HA2 H 72 3.944 4.255 -0.311 1
1 816 . 4 1 1 A 72 72 GLY HA3 H 72 3.872 4.256 -0.384 1
1 817 . 4 1 1 A 72 72 GLY C C 72 175.060 172.570 2.490 1
1 818 . 4 1 1 A 72 72 GLY CA C 72 45.579 46.100 -0.521 1
1 819 . 4 1 1 A 73 73 GLY H H 73 8.416 8.893 -0.477 1
1 820 . 4 1 1 A 73 73 GLY HA2 H 73 3.947 3.948 -0.001 1
1 821 . 4 1 1 A 73 73 GLY HA3 H 73 3.947 3.949 -0.002 1
1 822 . 4 1 1 A 73 73 GLY C C 73 174.356 173.971 0.385 1
1 823 . 4 1 1 A 73 73 GLY CA C 73 45.280 46.439 -1.159 1
1 824 . 4 1 1 A 73 73 GLY N N 73 108.960 109.126 -0.166 1
1 825 . 4 1 1 A 74 74 VAL H H 74 8.059 7.692 0.367 1
1 826 . 4 1 1 A 74 74 VAL HA H 74 4.181 4.082 0.099 1
1 834 . 4 1 1 A 74 74 VAL C C 74 176.419 175.770 0.649 1
1 835 . 4 1 1 A 74 74 VAL CA C 74 62.309 63.607 -1.298 1
1 836 . 4 1 1 A 74 74 VAL CB C 74 32.843 31.272 1.571 1
1 839 . 4 1 1 A 74 74 VAL N N 74 118.980 121.484 -2.504 1
1 840 . 4 1 1 A 75 75 SER H H 75 8.430 8.771 -0.341 1
1 841 . 4 1 1 A 75 75 SER HA H 75 4.493 5.318 -0.825 1
1 844 . 4 1 1 A 75 75 SER C C 75 174.525 173.082 1.443 1
1 845 . 4 1 1 A 75 75 SER CA C 75 58.349 56.945 1.404 1
1 846 . 4 1 1 A 75 75 SER CB C 75 63.880 65.951 -2.071 1
1 847 . 4 1 1 A 75 75 SER N N 75 119.288 121.556 -2.268 1
1 848 . 4 1 1 A 76 76 GLY H H 76 8.206 8.252 -0.046 1
1 849 . 4 1 1 A 76 76 GLY C C 76 171.757 170.998 0.759 1
1 850 . 4 1 1 A 76 76 GLY CA C 76 44.642 45.588 -0.946 1
1 851 . 4 1 1 A 76 76 GLY N N 76 110.769 112.226 -1.457 1
1 852 . 4 1 1 A 79 79 SER HA H 79 4.474 4.803 -0.329 1
1 855 . 4 1 1 A 79 79 SER C C 79 173.918 174.350 -0.432 1
1 856 . 4 1 1 A 79 79 SER CA C 79 58.430 56.584 1.846 1
1 857 . 4 1 1 A 79 79 SER CB C 79 64.045 64.592 -0.547 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.959 4.031 -0.072 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.959 4.032 -0.073 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.210 174.807 -0.597 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.270 45.521 -0.251 1
1 5 . 5 1 1 A 8 8 LYS H H 8 7.993 7.992 0.001 1
1 6 . 5 1 1 A 8 8 LYS C C 8 176.347 175.643 0.704 1
1 7 . 5 1 1 A 8 8 LYS CA C 8 62.168 55.436 6.732 1
1 8 . 5 1 1 A 8 8 LYS CB C 8 32.974 34.261 -1.287 1
1 9 . 5 1 1 A 8 8 LYS N N 8 118.865 120.932 -2.067 1
1 10 . 5 1 1 A 12 12 THR HA H 12 4.227 4.787 -0.560 1
1 15 . 5 1 1 A 12 12 THR CA C 12 61.902 60.781 1.121 1
1 16 . 5 1 1 A 12 12 THR CB C 12 69.926 69.911 0.015 1
1 18 . 5 1 1 A 13 13 SER HA H 13 4.401 5.427 -1.026 1
1 21 . 5 1 1 A 13 13 SER C C 13 173.627 173.506 0.121 1
1 22 . 5 1 1 A 13 13 SER CA C 13 57.513 56.748 0.765 1
1 23 . 5 1 1 A 13 13 SER CB C 13 63.880 64.991 -1.111 1
1 24 . 5 1 1 A 14 14 PHE H H 14 8.197 9.246 -1.049 1
1 25 . 5 1 1 A 14 14 PHE HA H 14 4.701 4.973 -0.272 1
1 33 . 5 1 1 A 14 14 PHE C C 14 176.177 175.499 0.678 1
1 34 . 5 1 1 A 14 14 PHE CA C 14 57.539 56.191 1.348 1
1 35 . 5 1 1 A 14 14 PHE CB C 14 41.041 42.457 -1.416 1
1 41 . 5 1 1 A 14 14 PHE N N 14 121.084 120.902 0.182 1
1 42 . 5 1 1 A 15 15 LYS H H 15 8.548 8.905 -0.357 1
1 43 . 5 1 1 A 15 15 LYS HA H 15 4.449 4.602 -0.153 1
1 51 . 5 1 1 A 15 15 LYS C C 15 178.532 178.271 0.261 1
1 52 . 5 1 1 A 15 15 LYS CA C 15 55.291 55.561 -0.270 1
1 53 . 5 1 1 A 15 15 LYS CB C 15 33.993 33.416 0.577 1
1 57 . 5 1 1 A 15 15 LYS N N 15 120.600 122.261 -1.661 1
1 58 . 5 1 1 A 16 16 HIS HA H 16 4.238 4.295 -0.057 1
1 62 . 5 1 1 A 16 16 HIS CA C 16 60.805 57.620 3.185 1
1 63 . 5 1 1 A 16 16 HIS CB C 16 30.416 30.442 -0.026 1
1 65 . 5 1 1 A 17 17 HIS HA H 17 4.218 4.125 0.093 1
1 69 . 5 1 1 A 17 17 HIS C C 17 177.731 177.448 0.283 1
1 70 . 5 1 1 A 17 17 HIS CA C 17 58.994 58.997 -0.003 1
1 71 . 5 1 1 A 17 17 HIS CB C 17 29.627 30.080 -0.453 1
1 73 . 5 1 1 A 18 18 GLN H H 18 6.563 8.064 -1.501 1
1 74 . 5 1 1 A 18 18 GLN HA H 18 3.747 3.985 -0.238 1
1 81 . 5 1 1 A 18 18 GLN C C 18 177.051 177.972 -0.921 1
1 82 . 5 1 1 A 18 18 GLN CA C 18 58.148 58.398 -0.250 1
1 83 . 5 1 1 A 18 18 GLN CB C 18 27.752 28.547 -0.795 1
1 85 . 5 1 1 A 18 18 GLN N N 18 119.371 116.827 2.544 1
1 87 . 5 1 1 A 19 19 LEU H H 19 7.532 7.651 -0.119 1
1 88 . 5 1 1 A 19 19 LEU HA H 19 3.570 3.668 -0.098 1
1 98 . 5 1 1 A 19 19 LEU C C 19 178.362 178.572 -0.210 1
1 99 . 5 1 1 A 19 19 LEU CA C 19 57.464 57.573 -0.109 1
1 100 . 5 1 1 A 19 19 LEU CB C 19 42.092 41.645 0.447 1
1 104 . 5 1 1 A 19 19 LEU N N 19 118.862 120.372 -1.510 1
1 105 . 5 1 1 A 20 20 ARG H H 20 8.168 8.037 0.131 1
1 106 . 5 1 1 A 20 20 ARG HA H 20 3.899 3.970 -0.071 1
1 113 . 5 1 1 A 20 20 ARG C C 20 179.358 178.811 0.547 1
1 114 . 5 1 1 A 20 20 ARG CA C 20 59.641 59.273 0.368 1
1 115 . 5 1 1 A 20 20 ARG CB C 20 29.869 29.898 -0.029 1
1 118 . 5 1 1 A 20 20 ARG N N 20 118.228 119.144 -0.916 1
1 119 . 5 1 1 A 21 21 THR H H 21 7.592 7.576 0.016 1
1 120 . 5 1 1 A 21 21 THR HA H 21 3.854 3.899 -0.045 1
1 125 . 5 1 1 A 21 21 THR C C 21 176.662 176.860 -0.198 1
1 126 . 5 1 1 A 21 21 THR CA C 21 66.646 66.952 -0.306 1
1 127 . 5 1 1 A 21 21 THR CB C 21 68.271 68.384 -0.113 1
1 129 . 5 1 1 A 21 21 THR N N 21 117.730 115.953 1.777 1
1 130 . 5 1 1 A 22 22 MET H H 22 7.910 8.116 -0.206 1
1 131 . 5 1 1 A 22 22 MET HA H 22 3.537 4.104 -0.567 1
1 139 . 5 1 1 A 22 22 MET C C 22 177.099 178.674 -1.575 1
1 140 . 5 1 1 A 22 22 MET CA C 22 61.053 58.888 2.165 1
1 141 . 5 1 1 A 22 22 MET CB C 22 31.655 32.213 -0.558 1
1 144 . 5 1 1 A 22 22 MET N N 22 121.373 118.198 3.175 1
1 145 . 5 1 1 A 23 23 LYS H H 23 8.663 8.216 0.447 1
1 146 . 5 1 1 A 23 23 LYS HA H 23 4.037 4.339 -0.302 1
1 155 . 5 1 1 A 23 23 LYS C C 23 180.183 179.638 0.545 1
1 156 . 5 1 1 A 23 23 LYS CA C 23 60.743 60.053 0.690 1
1 157 . 5 1 1 A 23 23 LYS CB C 23 32.386 32.663 -0.277 1
1 161 . 5 1 1 A 23 23 LYS N N 23 117.749 120.279 -2.530 1
1 162 . 5 1 1 A 24 24 SER H H 24 8.182 7.862 0.320 1
1 163 . 5 1 1 A 24 24 SER HA H 24 4.291 4.242 0.049 1
1 166 . 5 1 1 A 24 24 SER C C 24 176.298 176.160 0.138 1
1 167 . 5 1 1 A 24 24 SER CA C 24 61.850 62.546 -0.696 1
1 168 . 5 1 1 A 24 24 SER CB C 24 62.661 63.321 -0.660 1
1 169 . 5 1 1 A 24 24 SER N N 24 115.784 116.382 -0.598 1
1 170 . 5 1 1 A 25 25 TYR H H 25 7.860 8.253 -0.393 1
1 171 . 5 1 1 A 25 25 TYR HA H 25 4.168 4.376 -0.208 1
1 178 . 5 1 1 A 25 25 TYR C C 25 177.731 177.826 -0.095 1
1 179 . 5 1 1 A 25 25 TYR CA C 25 62.168 61.706 0.462 1
1 180 . 5 1 1 A 25 25 TYR CB C 25 38.810 38.684 0.126 1
1 185 . 5 1 1 A 25 25 TYR N N 25 122.606 123.065 -0.459 1
1 186 . 5 1 1 A 26 26 PHE H H 26 9.057 8.623 0.434 1
1 187 . 5 1 1 A 26 26 PHE HA H 26 4.587 4.640 -0.053 1
1 195 . 5 1 1 A 26 26 PHE C C 26 174.987 178.045 -3.058 1
1 196 . 5 1 1 A 26 26 PHE CA C 26 61.043 61.778 -0.735 1
1 197 . 5 1 1 A 26 26 PHE CB C 26 39.600 39.652 -0.052 1
1 203 . 5 1 1 A 26 26 PHE N N 26 121.419 121.236 0.183 1
1 204 . 5 1 1 A 27 27 ALA H H 27 7.459 8.231 -0.772 1
1 205 . 5 1 1 A 27 27 ALA HA H 27 4.051 3.753 0.298 1
1 209 . 5 1 1 A 27 27 ALA C C 27 178.775 179.988 -1.213 1
1 210 . 5 1 1 A 27 27 ALA CA C 27 54.233 54.800 -0.567 1
1 211 . 5 1 1 A 27 27 ALA CB C 27 18.405 18.573 -0.168 1
1 212 . 5 1 1 A 27 27 ALA N N 27 114.718 120.806 -6.088 1
1 213 . 5 1 1 A 28 28 ILE H H 28 7.405 7.465 -0.060 1
1 214 . 5 1 1 A 28 28 ILE HA H 28 3.985 3.806 0.179 1
1 224 . 5 1 1 A 28 28 ILE C C 28 176.055 175.782 0.273 1
1 225 . 5 1 1 A 28 28 ILE CA C 28 61.603 63.291 -1.688 1
1 226 . 5 1 1 A 28 28 ILE CB C 28 39.090 38.147 0.943 1
1 230 . 5 1 1 A 28 28 ILE N N 28 115.025 115.646 -0.621 1
1 231 . 5 1 1 A 29 29 ASN H H 29 8.087 7.701 0.386 1
1 232 . 5 1 1 A 29 29 ASN HA H 29 4.511 4.777 -0.266 1
1 237 . 5 1 1 A 29 29 ASN C C 29 172.947 174.565 -1.618 1
1 238 . 5 1 1 A 29 29 ASN CA C 29 52.594 52.133 0.461 1
1 239 . 5 1 1 A 29 29 ASN CB C 29 39.402 41.068 -1.666 1
1 240 . 5 1 1 A 29 29 ASN N N 29 119.219 116.193 3.026 1
1 242 . 5 1 1 A 30 30 HIS H H 30 8.408 8.413 -0.005 1
1 243 . 5 1 1 A 30 30 HIS HA H 30 4.499 4.920 -0.421 1
1 247 . 5 1 1 A 30 30 HIS C C 30 175.472 175.615 -0.143 1
1 248 . 5 1 1 A 30 30 HIS CA C 30 55.538 58.198 -2.660 1
1 249 . 5 1 1 A 30 30 HIS CB C 30 31.578 30.642 0.936 1
1 251 . 5 1 1 A 30 30 HIS N N 30 120.962 122.159 -1.197 1
1 252 . 5 1 1 A 31 31 ASN H H 31 7.931 8.019 -0.088 1
1 253 . 5 1 1 A 31 31 ASN HA H 31 5.099 5.055 0.044 1
1 258 . 5 1 1 A 31 31 ASN C C 31 170.762 172.396 -1.634 1
1 259 . 5 1 1 A 31 31 ASN CA C 31 51.130 50.688 0.442 1
1 260 . 5 1 1 A 31 31 ASN CB C 31 40.625 39.407 1.218 1
1 261 . 5 1 1 A 31 31 ASN N N 31 114.800 116.761 -1.961 1
1 263 . 5 1 1 A 32 32 PRO HA H 32 4.565 4.585 -0.020 1
1 270 . 5 1 1 A 32 32 PRO C C 32 176.832 176.467 0.365 1
1 271 . 5 1 1 A 32 32 PRO CA C 32 63.120 62.626 0.494 1
1 272 . 5 1 1 A 32 32 PRO CB C 32 31.715 32.037 -0.322 1
1 275 . 5 1 1 A 33 33 ASP H H 33 8.758 8.314 0.444 1
1 276 . 5 1 1 A 33 33 ASP HA H 33 4.526 4.702 -0.176 1
1 279 . 5 1 1 A 33 33 ASP C C 33 175.667 176.875 -1.208 1
1 280 . 5 1 1 A 33 33 ASP CA C 33 51.908 53.012 -1.104 1
1 281 . 5 1 1 A 33 33 ASP CB C 33 41.113 41.572 -0.459 1
1 282 . 5 1 1 A 33 33 ASP N N 33 123.573 120.517 3.056 1
1 283 . 5 1 1 A 34 34 ALA H H 34 8.274 8.877 -0.603 1
1 284 . 5 1 1 A 34 34 ALA HA H 34 3.914 3.997 -0.083 1
1 288 . 5 1 1 A 34 34 ALA C C 34 180.742 179.470 1.272 1
1 289 . 5 1 1 A 34 34 ALA CA C 34 56.073 55.815 0.258 1
1 290 . 5 1 1 A 34 34 ALA CB C 34 18.510 18.174 0.336 1
1 291 . 5 1 1 A 34 34 ALA N N 34 119.222 122.715 -3.493 1
1 292 . 5 1 1 A 35 35 LYS H H 35 7.931 8.156 -0.225 1
1 293 . 5 1 1 A 35 35 LYS HA H 35 4.019 3.929 0.090 1
1 302 . 5 1 1 A 35 35 LYS C C 35 179.430 178.739 0.691 1
1 303 . 5 1 1 A 35 35 LYS CA C 35 59.485 59.849 -0.364 1
1 304 . 5 1 1 A 35 35 LYS CB C 35 31.535 32.436 -0.901 1
1 308 . 5 1 1 A 35 35 LYS N N 35 119.343 118.222 1.121 1
1 309 . 5 1 1 A 36 36 ASP H H 36 8.611 8.106 0.505 1
1 310 . 5 1 1 A 36 36 ASP HA H 36 4.408 4.431 -0.023 1
1 313 . 5 1 1 A 36 36 ASP C C 36 179.479 178.947 0.532 1
1 314 . 5 1 1 A 36 36 ASP CA C 36 57.090 57.222 -0.132 1
1 315 . 5 1 1 A 36 36 ASP CB C 36 39.930 40.329 -0.399 1
1 316 . 5 1 1 A 36 36 ASP N N 36 123.478 119.490 3.988 1
1 317 . 5 1 1 A 37 37 LEU H H 37 8.743 8.426 0.317 1
1 318 . 5 1 1 A 37 37 LEU HA H 37 3.805 3.847 -0.042 1
1 328 . 5 1 1 A 37 37 LEU C C 37 178.799 178.944 -0.145 1
1 329 . 5 1 1 A 37 37 LEU CA C 37 58.148 57.834 0.314 1
1 330 . 5 1 1 A 37 37 LEU CB C 37 42.233 41.752 0.481 1
1 334 . 5 1 1 A 37 37 LEU N N 37 120.010 120.683 -0.673 1
1 335 . 5 1 1 A 38 38 LYS H H 38 7.756 8.407 -0.651 1
1 336 . 5 1 1 A 38 38 LYS HA H 38 3.956 4.027 -0.071 1
1 343 . 5 1 1 A 38 38 LYS C C 38 179.090 178.317 0.773 1
1 344 . 5 1 1 A 38 38 LYS CA C 38 59.950 59.040 0.910 1
1 345 . 5 1 1 A 38 38 LYS CB C 38 32.315 32.081 0.234 1
1 349 . 5 1 1 A 38 38 LYS N N 38 120.326 117.524 2.802 1
1 350 . 5 1 1 A 39 39 GLN H H 39 7.634 7.825 -0.191 1
1 351 . 5 1 1 A 39 39 GLN HA H 39 4.156 4.047 0.109 1
1 358 . 5 1 1 A 39 39 GLN C C 39 178.896 178.299 0.597 1
1 359 . 5 1 1 A 39 39 GLN CA C 39 58.888 58.430 0.458 1
1 360 . 5 1 1 A 39 39 GLN CB C 39 28.441 28.253 0.188 1
1 362 . 5 1 1 A 39 39 GLN N N 39 119.272 119.028 0.244 1
1 364 . 5 1 1 A 40 40 LEU H H 40 8.541 7.670 0.871 1
1 365 . 5 1 1 A 40 40 LEU HA H 40 3.848 4.144 -0.296 1
1 375 . 5 1 1 A 40 40 LEU C C 40 180.256 178.986 1.270 1
1 376 . 5 1 1 A 40 40 LEU CA C 40 57.866 57.582 0.284 1
1 377 . 5 1 1 A 40 40 LEU CB C 40 43.074 41.189 1.885 1
1 381 . 5 1 1 A 40 40 LEU N N 40 120.555 120.111 0.444 1
1 382 . 5 1 1 A 41 41 ALA H H 41 8.633 8.203 0.430 1
1 383 . 5 1 1 A 41 41 ALA HA H 41 4.032 3.903 0.129 1
1 387 . 5 1 1 A 41 41 ALA C C 41 179.722 179.372 0.350 1
1 388 . 5 1 1 A 41 41 ALA CA C 41 55.923 54.977 0.946 1
1 389 . 5 1 1 A 41 41 ALA CB C 41 17.836 18.639 -0.803 1
1 390 . 5 1 1 A 41 41 ALA N N 41 127.288 120.569 6.719 1
1 391 . 5 1 1 A 42 42 GLN H H 42 7.698 7.591 0.107 1
1 392 . 5 1 1 A 42 42 GLN HA H 42 4.034 4.238 -0.204 1
1 399 . 5 1 1 A 42 42 GLN C C 42 178.848 178.095 0.753 1
1 400 . 5 1 1 A 42 42 GLN CA C 42 58.853 58.243 0.610 1
1 401 . 5 1 1 A 42 42 GLN CB C 42 28.276 28.837 -0.561 1
1 403 . 5 1 1 A 42 42 GLN N N 42 118.543 116.662 1.881 1
1 405 . 5 1 1 A 43 43 LYS H H 43 8.099 7.387 0.712 1
1 406 . 5 1 1 A 43 43 LYS HA H 43 4.172 4.073 0.099 1
1 415 . 5 1 1 A 43 43 LYS C C 43 178.581 178.745 -0.164 1
1 416 . 5 1 1 A 43 43 LYS CA C 43 58.741 59.026 -0.285 1
1 417 . 5 1 1 A 43 43 LYS CB C 43 34.128 32.649 1.479 1
1 421 . 5 1 1 A 43 43 LYS N N 43 116.650 119.147 -2.497 1
1 422 . 5 1 1 A 44 44 THR H H 44 8.053 8.055 -0.002 1
1 423 . 5 1 1 A 44 44 THR HA H 44 4.517 4.399 0.118 1
1 428 . 5 1 1 A 44 44 THR C C 44 176.104 175.801 0.303 1
1 429 . 5 1 1 A 44 44 THR CA C 44 63.114 62.431 0.683 1
1 430 . 5 1 1 A 44 44 THR CB C 44 72.379 70.587 1.792 1
1 432 . 5 1 1 A 44 44 THR N N 44 105.200 107.860 -2.660 1
1 433 . 5 1 1 A 45 45 GLY H H 45 8.327 7.995 0.332 1
1 434 . 5 1 1 A 45 45 GLY HA2 H 45 3.882 3.995 -0.113 1
1 435 . 5 1 1 A 45 45 GLY HA3 H 45 4.257 3.999 0.258 1
1 436 . 5 1 1 A 45 45 GLY C C 45 174.283 174.628 -0.345 1
1 437 . 5 1 1 A 45 45 GLY CA C 45 45.950 45.052 0.898 1
1 438 . 5 1 1 A 45 45 GLY N N 45 111.805 111.136 0.669 1
1 439 . 5 1 1 A 46 46 LEU H H 46 7.710 7.516 0.194 1
1 440 . 5 1 1 A 46 46 LEU HA H 46 4.692 4.453 0.239 1
1 450 . 5 1 1 A 46 46 LEU C C 46 176.249 175.640 0.609 1
1 451 . 5 1 1 A 46 46 LEU CA C 46 53.293 54.637 -1.344 1
1 452 . 5 1 1 A 46 46 LEU CB C 46 44.084 42.760 1.324 1
1 456 . 5 1 1 A 46 46 LEU N N 46 121.162 122.354 -1.192 1
1 457 . 5 1 1 A 47 47 THR H H 47 7.718 8.199 -0.481 1
1 458 . 5 1 1 A 47 47 THR HA H 47 4.379 4.801 -0.422 1
1 463 . 5 1 1 A 47 47 THR C C 47 175.594 175.150 0.444 1
1 464 . 5 1 1 A 47 47 THR CA C 47 60.475 59.490 0.985 1
1 465 . 5 1 1 A 47 47 THR CB C 47 71.045 71.141 -0.096 1
1 467 . 5 1 1 A 47 47 THR N N 47 107.953 114.301 -6.348 1
1 468 . 5 1 1 A 48 48 LYS H H 48 8.750 8.988 -0.238 1
1 469 . 5 1 1 A 48 48 LYS HA H 48 3.788 3.957 -0.169 1
1 478 . 5 1 1 A 48 48 LYS C C 48 178.119 178.276 -0.157 1
1 479 . 5 1 1 A 48 48 LYS CA C 48 60.816 60.222 0.594 1
1 480 . 5 1 1 A 48 48 LYS CB C 48 32.050 32.180 -0.130 1
1 484 . 5 1 1 A 48 48 LYS N N 48 120.566 127.109 -6.543 1
1 485 . 5 1 1 A 49 49 ARG H H 49 8.274 7.841 0.433 1
1 486 . 5 1 1 A 49 49 ARG HA H 49 4.214 4.108 0.106 1
1 492 . 5 1 1 A 49 49 ARG C C 49 178.216 178.645 -0.429 1
1 493 . 5 1 1 A 49 49 ARG CA C 49 59.170 59.068 0.102 1
1 494 . 5 1 1 A 49 49 ARG CB C 49 30.181 30.096 0.085 1
1 497 . 5 1 1 A 49 49 ARG N N 49 116.915 119.286 -2.371 1
1 498 . 5 1 1 A 50 50 VAL H H 50 7.310 8.088 -0.778 1
1 499 . 5 1 1 A 50 50 VAL HA H 50 3.730 3.720 0.010 1
1 507 . 5 1 1 A 50 50 VAL C C 50 179.406 178.322 1.084 1
1 508 . 5 1 1 A 50 50 VAL CA C 50 66.576 66.690 -0.114 1
1 509 . 5 1 1 A 50 50 VAL CB C 50 31.655 31.646 0.009 1
1 512 . 5 1 1 A 50 50 VAL N N 50 119.540 119.665 -0.125 1
1 513 . 5 1 1 A 51 51 LEU H H 51 8.115 8.314 -0.199 1
1 514 . 5 1 1 A 51 51 LEU HA H 51 4.133 3.978 0.155 1
1 524 . 5 1 1 A 51 51 LEU C C 51 178.726 179.460 -0.734 1
1 525 . 5 1 1 A 51 51 LEU CA C 51 58.465 58.449 0.016 1
1 526 . 5 1 1 A 51 51 LEU CB C 51 43.173 41.834 1.339 1
1 530 . 5 1 1 A 51 51 LEU N N 51 120.715 118.850 1.865 1
1 531 . 5 1 1 A 52 52 GLN H H 52 8.981 8.354 0.627 1
1 532 . 5 1 1 A 52 52 GLN HA H 52 4.131 4.136 -0.005 1
1 539 . 5 1 1 A 52 52 GLN C C 52 179.600 178.657 0.943 1
1 540 . 5 1 1 A 52 52 GLN CA C 52 60.226 58.748 1.478 1
1 541 . 5 1 1 A 52 52 GLN CB C 52 29.018 28.573 0.445 1
1 543 . 5 1 1 A 52 52 GLN N N 52 118.651 116.980 1.671 1
1 545 . 5 1 1 A 53 53 VAL H H 53 8.057 8.138 -0.081 1
1 546 . 5 1 1 A 53 53 VAL HA H 53 3.723 3.723 0.000 1
1 554 . 5 1 1 A 53 53 VAL C C 53 177.755 178.313 -0.558 1
1 555 . 5 1 1 A 53 53 VAL CA C 53 66.646 66.663 -0.017 1
1 556 . 5 1 1 A 53 53 VAL CB C 53 32.196 31.810 0.386 1
1 559 . 5 1 1 A 53 53 VAL N N 53 120.778 119.795 0.983 1
1 560 . 5 1 1 A 54 54 TRP H H 54 8.377 8.437 -0.060 1
1 561 . 5 1 1 A 54 54 TRP HA H 54 4.036 4.191 -0.155 1
1 570 . 5 1 1 A 54 54 TRP C C 54 180.110 177.768 2.342 1
1 571 . 5 1 1 A 54 54 TRP CA C 54 63.543 61.187 2.356 1
1 572 . 5 1 1 A 54 54 TRP CB C 54 28.771 29.877 -1.106 1
1 578 . 5 1 1 A 54 54 TRP N N 54 122.326 121.286 1.040 1
1 580 . 5 1 1 A 55 55 PHE H H 55 9.196 8.579 0.617 1
1 581 . 5 1 1 A 55 55 PHE HA H 55 3.808 4.015 -0.207 1
1 589 . 5 1 1 A 55 55 PHE C C 55 177.973 178.176 -0.203 1
1 590 . 5 1 1 A 55 55 PHE CA C 55 63.557 61.979 1.578 1
1 591 . 5 1 1 A 55 55 PHE CB C 55 39.139 38.848 0.291 1
1 597 . 5 1 1 A 55 55 PHE N N 55 118.085 117.894 0.191 1
1 598 . 5 1 1 A 56 56 GLN H H 56 8.289 8.634 -0.345 1
1 599 . 5 1 1 A 56 56 GLN HA H 56 3.992 3.926 0.066 1
1 606 . 5 1 1 A 56 56 GLN C C 56 179.212 178.850 0.362 1
1 607 . 5 1 1 A 56 56 GLN CA C 56 59.699 59.260 0.439 1
1 608 . 5 1 1 A 56 56 GLN CB C 56 28.236 28.276 -0.040 1
1 610 . 5 1 1 A 56 56 GLN N N 56 119.990 117.162 2.828 1
1 612 . 5 1 1 A 57 57 ASN H H 57 8.244 7.923 0.321 1
1 613 . 5 1 1 A 57 57 ASN HA H 57 4.341 4.443 -0.102 1
1 618 . 5 1 1 A 57 57 ASN C C 57 177.124 177.928 -0.804 1
1 619 . 5 1 1 A 57 57 ASN CA C 57 55.820 55.508 0.312 1
1 620 . 5 1 1 A 57 57 ASN CB C 57 38.025 37.852 0.173 1
1 621 . 5 1 1 A 57 57 ASN N N 57 119.713 117.128 2.585 1
1 623 . 5 1 1 A 58 58 ALA H H 58 8.224 7.761 0.463 1
1 624 . 5 1 1 A 58 58 ALA HA H 58 3.323 3.375 -0.052 1
1 628 . 5 1 1 A 58 58 ALA C C 58 180.814 179.805 1.009 1
1 629 . 5 1 1 A 58 58 ALA CA C 58 54.712 54.876 -0.164 1
1 630 . 5 1 1 A 58 58 ALA CB C 58 16.697 17.314 -0.617 1
1 631 . 5 1 1 A 58 58 ALA N N 58 125.439 122.201 3.238 1
1 632 . 5 1 1 A 59 59 ARG H H 59 8.404 7.816 0.588 1
1 633 . 5 1 1 A 59 59 ARG HA H 59 4.009 4.204 -0.195 1
1 640 . 5 1 1 A 59 59 ARG C C 59 178.678 178.793 -0.115 1
1 641 . 5 1 1 A 59 59 ARG CA C 59 60.969 59.665 1.304 1
1 642 . 5 1 1 A 59 59 ARG CB C 59 31.491 30.259 1.232 1
1 645 . 5 1 1 A 59 59 ARG N N 59 118.829 117.694 1.135 1
1 646 . 5 1 1 A 60 60 ALA H H 60 7.711 7.812 -0.101 1
1 647 . 5 1 1 A 60 60 ALA HA H 60 4.162 4.125 0.037 1
1 651 . 5 1 1 A 60 60 ALA C C 60 180.086 179.098 0.988 1
1 652 . 5 1 1 A 60 60 ALA CA C 60 55.116 54.779 0.337 1
1 653 . 5 1 1 A 60 60 ALA CB C 60 17.993 18.395 -0.402 1
1 654 . 5 1 1 A 60 60 ALA N N 60 122.099 121.966 0.133 1
1 655 . 5 1 1 A 61 61 LYS H H 61 7.845 7.799 0.046 1
1 656 . 5 1 1 A 61 61 LYS HA H 61 3.912 3.927 -0.015 1
1 665 . 5 1 1 A 61 61 LYS C C 61 177.876 178.328 -0.452 1
1 666 . 5 1 1 A 61 61 LYS CA C 61 58.699 59.457 -0.758 1
1 667 . 5 1 1 A 61 61 LYS CB C 61 32.412 32.112 0.300 1
1 671 . 5 1 1 A 61 61 LYS N N 61 118.453 118.634 -0.181 1
1 672 . 5 1 1 A 62 62 PHE H H 62 7.986 8.350 -0.364 1
1 673 . 5 1 1 A 62 62 PHE HA H 62 4.249 4.034 0.215 1
1 681 . 5 1 1 A 62 62 PHE C C 62 177.148 177.168 -0.020 1
1 682 . 5 1 1 A 62 62 PHE CA C 62 60.592 61.979 -1.387 1
1 683 . 5 1 1 A 62 62 PHE CB C 62 39.439 39.242 0.197 1
1 689 . 5 1 1 A 62 62 PHE N N 62 120.207 120.330 -0.123 1
1 690 . 5 1 1 A 63 63 ARG H H 63 8.034 8.177 -0.143 1
1 691 . 5 1 1 A 63 63 ARG HA H 63 4.071 3.671 0.400 1
1 698 . 5 1 1 A 63 63 ARG C C 63 177.342 178.537 -1.195 1
1 699 . 5 1 1 A 63 63 ARG CA C 63 58.068 59.256 -1.188 1
1 700 . 5 1 1 A 63 63 ARG CB C 63 30.282 29.805 0.477 1
1 703 . 5 1 1 A 63 63 ARG N N 63 119.257 117.308 1.949 1
1 704 . 5 1 1 A 64 64 ARG H H 64 7.956 8.341 -0.385 1
1 705 . 5 1 1 A 64 64 ARG HA H 64 4.096 4.112 -0.016 1
1 712 . 5 1 1 A 64 64 ARG C C 64 177.366 179.012 -1.646 1
1 713 . 5 1 1 A 64 64 ARG CA C 64 57.971 58.722 -0.751 1
1 714 . 5 1 1 A 64 64 ARG CB C 64 30.419 29.874 0.545 1
1 717 . 5 1 1 A 64 64 ARG N N 64 119.492 119.842 -0.350 1
1 718 . 5 1 1 A 65 65 ASN H H 65 8.042 8.508 -0.466 1
1 719 . 5 1 1 A 65 65 ASN HA H 65 4.537 4.489 0.048 1
1 724 . 5 1 1 A 65 65 ASN C C 65 176.152 177.293 -1.141 1
1 725 . 5 1 1 A 65 65 ASN CA C 65 54.348 55.604 -1.256 1
1 726 . 5 1 1 A 65 65 ASN CB C 65 38.466 39.240 -0.774 1
1 727 . 5 1 1 A 65 65 ASN N N 65 117.555 118.755 -1.200 1
1 729 . 5 1 1 A 66 66 LEU H H 66 7.777 7.292 0.485 1
1 730 . 5 1 1 A 66 66 LEU HA H 66 4.140 3.966 0.174 1
1 740 . 5 1 1 A 66 66 LEU C C 66 177.779 179.556 -1.777 1
1 741 . 5 1 1 A 66 66 LEU CA C 66 56.138 57.564 -1.426 1
1 742 . 5 1 1 A 66 66 LEU CB C 66 42.160 41.597 0.563 1
1 746 . 5 1 1 A 66 66 LEU N N 66 121.103 119.613 1.490 1
1 747 . 5 1 1 A 67 67 LEU H H 67 7.861 7.965 -0.104 1
1 748 . 5 1 1 A 67 67 LEU HA H 67 4.252 3.873 0.379 1
1 758 . 5 1 1 A 67 67 LEU C C 67 177.245 177.550 -0.305 1
1 759 . 5 1 1 A 67 67 LEU CA C 67 55.445 57.866 -2.421 1
1 760 . 5 1 1 A 67 67 LEU CB C 67 42.122 40.934 1.188 1
1 764 . 5 1 1 A 67 67 LEU N N 67 120.121 118.043 2.078 1
1 765 . 5 1 1 A 68 68 ARG H H 68 7.963 7.446 0.517 1
1 766 . 5 1 1 A 68 68 ARG HA H 68 4.265 4.438 -0.173 1
1 773 . 5 1 1 A 68 68 ARG C C 68 175.934 175.919 0.015 1
1 774 . 5 1 1 A 68 68 ARG CA C 68 56.208 55.557 0.651 1
1 775 . 5 1 1 A 68 68 ARG CB C 68 30.839 31.123 -0.284 1
1 778 . 5 1 1 A 68 68 ARG N N 68 120.189 118.054 2.135 1
1 779 . 5 1 1 A 69 69 GLN H H 69 8.303 7.961 0.342 1
1 780 . 5 1 1 A 69 69 GLN HA H 69 4.320 4.236 0.084 1
1 787 . 5 1 1 A 69 69 GLN C C 69 175.740 175.684 0.056 1
1 788 . 5 1 1 A 69 69 GLN CA C 69 55.891 56.426 -0.535 1
1 789 . 5 1 1 A 69 69 GLN CB C 69 29.556 29.150 0.406 1
1 791 . 5 1 1 A 69 69 GLN N N 69 121.097 121.232 -0.135 1
1 793 . 5 1 1 A 70 70 GLU H H 70 8.391 8.583 -0.192 1
1 794 . 5 1 1 A 70 70 GLU HA H 70 4.290 4.455 -0.165 1
1 799 . 5 1 1 A 70 70 GLU C C 70 175.254 175.747 -0.493 1
1 800 . 5 1 1 A 70 70 GLU CA C 70 56.490 56.974 -0.484 1
1 801 . 5 1 1 A 70 70 GLU CB C 70 30.636 30.271 0.365 1
1 803 . 5 1 1 A 70 70 GLU N N 70 122.138 126.805 -4.667 1
1 804 . 5 1 1 A 71 71 ASN H H 71 8.095 8.838 -0.743 1
1 805 . 5 1 1 A 71 71 ASN HA H 71 4.462 5.208 -0.746 1
1 810 . 5 1 1 A 71 71 ASN C C 71 179.333 174.474 4.859 1
1 811 . 5 1 1 A 71 71 ASN CA C 71 55.009 51.834 3.175 1
1 812 . 5 1 1 A 71 71 ASN CB C 71 41.051 40.269 0.782 1
1 813 . 5 1 1 A 71 71 ASN N N 71 124.912 124.607 0.305 1
1 815 . 5 1 1 A 72 72 GLY HA2 H 72 3.944 4.129 -0.185 1
1 816 . 5 1 1 A 72 72 GLY HA3 H 72 3.872 4.138 -0.266 1
1 817 . 5 1 1 A 72 72 GLY C C 72 175.060 172.521 2.539 1
1 818 . 5 1 1 A 72 72 GLY CA C 72 45.579 43.651 1.928 1
1 819 . 5 1 1 A 73 73 GLY H H 73 8.416 8.415 0.001 1
1 820 . 5 1 1 A 73 73 GLY HA2 H 73 3.947 4.145 -0.198 1
1 821 . 5 1 1 A 73 73 GLY HA3 H 73 3.947 4.147 -0.200 1
1 822 . 5 1 1 A 73 73 GLY C C 73 174.356 172.436 1.920 1
1 823 . 5 1 1 A 73 73 GLY CA C 73 45.280 45.932 -0.652 1
1 824 . 5 1 1 A 73 73 GLY N N 73 108.960 109.175 -0.215 1
1 825 . 5 1 1 A 74 74 VAL H H 74 8.059 8.613 -0.554 1
1 826 . 5 1 1 A 74 74 VAL HA H 74 4.181 4.917 -0.736 1
1 834 . 5 1 1 A 74 74 VAL C C 74 176.419 173.964 2.455 1
1 835 . 5 1 1 A 74 74 VAL CA C 74 62.309 60.139 2.170 1
1 836 . 5 1 1 A 74 74 VAL CB C 74 32.843 34.830 -1.987 1
1 839 . 5 1 1 A 74 74 VAL N N 74 118.980 124.548 -5.568 1
1 840 . 5 1 1 A 75 75 SER H H 75 8.430 8.775 -0.345 1
1 841 . 5 1 1 A 75 75 SER HA H 75 4.493 5.064 -0.571 1
1 844 . 5 1 1 A 75 75 SER C C 75 174.525 172.899 1.626 1
1 845 . 5 1 1 A 75 75 SER CA C 75 58.349 57.683 0.666 1
1 846 . 5 1 1 A 75 75 SER CB C 75 63.880 65.511 -1.631 1
1 847 . 5 1 1 A 75 75 SER N N 75 119.288 122.097 -2.809 1
1 848 . 5 1 1 A 76 76 GLY H H 76 8.206 8.438 -0.232 1
1 849 . 5 1 1 A 76 76 GLY C C 76 171.757 173.305 -1.548 1
1 850 . 5 1 1 A 76 76 GLY CA C 76 44.642 45.593 -0.951 1
1 851 . 5 1 1 A 76 76 GLY N N 76 110.769 112.802 -2.033 1
1 852 . 5 1 1 A 79 79 SER HA H 79 4.474 4.773 -0.299 1
1 855 . 5 1 1 A 79 79 SER C C 79 173.918 174.678 -0.760 1
1 856 . 5 1 1 A 79 79 SER CA C 79 58.430 57.928 0.502 1
1 857 . 5 1 1 A 79 79 SER CB C 79 64.045 66.050 -2.005 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.959 4.101 -0.142 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.959 4.110 -0.151 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.210 173.046 1.164 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.270 44.417 0.853 1
1 5 . 6 1 1 A 8 8 LYS H H 8 7.993 8.563 -0.570 1
1 6 . 6 1 1 A 8 8 LYS C C 8 176.347 175.547 0.800 1
1 7 . 6 1 1 A 8 8 LYS CA C 8 62.168 54.343 7.825 1
1 8 . 6 1 1 A 8 8 LYS CB C 8 32.974 35.974 -3.000 1
1 9 . 6 1 1 A 8 8 LYS N N 8 118.865 117.741 1.124 1
1 10 . 6 1 1 A 12 12 THR HA H 12 4.227 5.045 -0.818 1
1 15 . 6 1 1 A 12 12 THR CA C 12 61.902 59.081 2.821 1
1 16 . 6 1 1 A 12 12 THR CB C 12 69.926 71.971 -2.045 1
1 18 . 6 1 1 A 13 13 SER HA H 13 4.401 4.730 -0.329 1
1 21 . 6 1 1 A 13 13 SER C C 13 173.627 172.735 0.892 1
1 22 . 6 1 1 A 13 13 SER CA C 13 57.513 57.751 -0.238 1
1 23 . 6 1 1 A 13 13 SER CB C 13 63.880 64.768 -0.888 1
1 24 . 6 1 1 A 14 14 PHE H H 14 8.197 8.644 -0.447 1
1 25 . 6 1 1 A 14 14 PHE HA H 14 4.701 4.977 -0.276 1
1 33 . 6 1 1 A 14 14 PHE C C 14 176.177 174.884 1.293 1
1 34 . 6 1 1 A 14 14 PHE CA C 14 57.539 56.589 0.950 1
1 35 . 6 1 1 A 14 14 PHE CB C 14 41.041 43.794 -2.753 1
1 41 . 6 1 1 A 14 14 PHE N N 14 121.084 119.599 1.485 1
1 42 . 6 1 1 A 15 15 LYS H H 15 8.548 8.422 0.126 1
1 43 . 6 1 1 A 15 15 LYS HA H 15 4.449 4.526 -0.077 1
1 51 . 6 1 1 A 15 15 LYS C C 15 178.532 177.051 1.481 1
1 52 . 6 1 1 A 15 15 LYS CA C 15 55.291 54.631 0.660 1
1 53 . 6 1 1 A 15 15 LYS CB C 15 33.993 33.637 0.356 1
1 57 . 6 1 1 A 15 15 LYS N N 15 120.600 120.165 0.435 1
1 58 . 6 1 1 A 16 16 HIS HA H 16 4.238 4.490 -0.252 1
1 62 . 6 1 1 A 16 16 HIS CA C 16 60.805 57.095 3.710 1
1 63 . 6 1 1 A 16 16 HIS CB C 16 30.416 30.155 0.261 1
1 65 . 6 1 1 A 17 17 HIS HA H 17 4.218 4.301 -0.083 1
1 69 . 6 1 1 A 17 17 HIS C C 17 177.731 177.088 0.643 1
1 70 . 6 1 1 A 17 17 HIS CA C 17 58.994 58.858 0.136 1
1 71 . 6 1 1 A 17 17 HIS CB C 17 29.627 29.467 0.160 1
1 73 . 6 1 1 A 18 18 GLN H H 18 6.563 7.738 -1.175 1
1 74 . 6 1 1 A 18 18 GLN HA H 18 3.747 4.038 -0.291 1
1 81 . 6 1 1 A 18 18 GLN C C 18 177.051 178.361 -1.310 1
1 82 . 6 1 1 A 18 18 GLN CA C 18 58.148 58.654 -0.506 1
1 83 . 6 1 1 A 18 18 GLN CB C 18 27.752 28.280 -0.528 1
1 85 . 6 1 1 A 18 18 GLN N N 18 119.371 118.552 0.819 1
1 87 . 6 1 1 A 19 19 LEU H H 19 7.532 7.781 -0.249 1
1 88 . 6 1 1 A 19 19 LEU HA H 19 3.570 3.589 -0.019 1
1 98 . 6 1 1 A 19 19 LEU C C 19 178.362 178.946 -0.584 1
1 99 . 6 1 1 A 19 19 LEU CA C 19 57.464 57.809 -0.345 1
1 100 . 6 1 1 A 19 19 LEU CB C 19 42.092 41.343 0.749 1
1 104 . 6 1 1 A 19 19 LEU N N 19 118.862 120.605 -1.743 1
1 105 . 6 1 1 A 20 20 ARG H H 20 8.168 8.109 0.059 1
1 106 . 6 1 1 A 20 20 ARG HA H 20 3.899 3.968 -0.069 1
1 113 . 6 1 1 A 20 20 ARG C C 20 179.358 178.486 0.872 1
1 114 . 6 1 1 A 20 20 ARG CA C 20 59.641 59.390 0.251 1
1 115 . 6 1 1 A 20 20 ARG CB C 20 29.869 30.032 -0.163 1
1 118 . 6 1 1 A 20 20 ARG N N 20 118.228 120.340 -2.112 1
1 119 . 6 1 1 A 21 21 THR H H 21 7.592 7.431 0.161 1
1 120 . 6 1 1 A 21 21 THR HA H 21 3.854 3.990 -0.136 1
1 125 . 6 1 1 A 21 21 THR C C 21 176.662 176.842 -0.180 1
1 126 . 6 1 1 A 21 21 THR CA C 21 66.646 66.896 -0.250 1
1 127 . 6 1 1 A 21 21 THR CB C 21 68.271 68.806 -0.535 1
1 129 . 6 1 1 A 21 21 THR N N 21 117.730 116.660 1.070 1
1 130 . 6 1 1 A 22 22 MET H H 22 7.910 7.763 0.147 1
1 131 . 6 1 1 A 22 22 MET HA H 22 3.537 4.231 -0.694 1
1 139 . 6 1 1 A 22 22 MET C C 22 177.099 178.659 -1.560 1
1 140 . 6 1 1 A 22 22 MET CA C 22 61.053 58.680 2.373 1
1 141 . 6 1 1 A 22 22 MET CB C 22 31.655 32.568 -0.913 1
1 144 . 6 1 1 A 22 22 MET N N 22 121.373 118.428 2.945 1
1 145 . 6 1 1 A 23 23 LYS H H 23 8.663 8.144 0.519 1
1 146 . 6 1 1 A 23 23 LYS HA H 23 4.037 4.219 -0.182 1
1 155 . 6 1 1 A 23 23 LYS C C 23 180.183 179.401 0.782 1
1 156 . 6 1 1 A 23 23 LYS CA C 23 60.743 60.167 0.576 1
1 157 . 6 1 1 A 23 23 LYS CB C 23 32.386 32.696 -0.310 1
1 161 . 6 1 1 A 23 23 LYS N N 23 117.749 120.336 -2.587 1
1 162 . 6 1 1 A 24 24 SER H H 24 8.182 7.974 0.208 1
1 163 . 6 1 1 A 24 24 SER HA H 24 4.291 4.331 -0.040 1
1 166 . 6 1 1 A 24 24 SER C C 24 176.298 176.771 -0.473 1
1 167 . 6 1 1 A 24 24 SER CA C 24 61.850 60.943 0.907 1
1 168 . 6 1 1 A 24 24 SER CB C 24 62.661 63.102 -0.441 1
1 169 . 6 1 1 A 24 24 SER N N 24 115.784 114.347 1.437 1
1 170 . 6 1 1 A 25 25 TYR H H 25 7.860 8.235 -0.375 1
1 171 . 6 1 1 A 25 25 TYR HA H 25 4.168 4.347 -0.179 1
1 178 . 6 1 1 A 25 25 TYR C C 25 177.731 177.810 -0.079 1
1 179 . 6 1 1 A 25 25 TYR CA C 25 62.168 61.816 0.352 1
1 180 . 6 1 1 A 25 25 TYR CB C 25 38.810 38.643 0.167 1
1 185 . 6 1 1 A 25 25 TYR N N 25 122.606 123.055 -0.449 1
1 186 . 6 1 1 A 26 26 PHE H H 26 9.057 8.597 0.460 1
1 187 . 6 1 1 A 26 26 PHE HA H 26 4.587 4.492 0.095 1
1 195 . 6 1 1 A 26 26 PHE C C 26 174.987 177.812 -2.825 1
1 196 . 6 1 1 A 26 26 PHE CA C 26 61.043 61.629 -0.586 1
1 197 . 6 1 1 A 26 26 PHE CB C 26 39.600 39.589 0.011 1
1 203 . 6 1 1 A 26 26 PHE N N 26 121.419 121.095 0.324 1
1 204 . 6 1 1 A 27 27 ALA H H 27 7.459 8.190 -0.731 1
1 205 . 6 1 1 A 27 27 ALA HA H 27 4.051 3.941 0.110 1
1 209 . 6 1 1 A 27 27 ALA C C 27 178.775 180.066 -1.291 1
1 210 . 6 1 1 A 27 27 ALA CA C 27 54.233 54.672 -0.439 1
1 211 . 6 1 1 A 27 27 ALA CB C 27 18.405 18.820 -0.415 1
1 212 . 6 1 1 A 27 27 ALA N N 27 114.718 120.774 -6.056 1
1 213 . 6 1 1 A 28 28 ILE H H 28 7.405 7.705 -0.300 1
1 214 . 6 1 1 A 28 28 ILE HA H 28 3.985 3.812 0.173 1
1 224 . 6 1 1 A 28 28 ILE C C 28 176.055 175.967 0.088 1
1 225 . 6 1 1 A 28 28 ILE CA C 28 61.603 63.059 -1.456 1
1 226 . 6 1 1 A 28 28 ILE CB C 28 39.090 38.469 0.621 1
1 230 . 6 1 1 A 28 28 ILE N N 28 115.025 115.893 -0.868 1
1 231 . 6 1 1 A 29 29 ASN H H 29 8.087 7.674 0.413 1
1 232 . 6 1 1 A 29 29 ASN HA H 29 4.511 4.727 -0.216 1
1 237 . 6 1 1 A 29 29 ASN C C 29 172.947 174.798 -1.851 1
1 238 . 6 1 1 A 29 29 ASN CA C 29 52.594 52.306 0.288 1
1 239 . 6 1 1 A 29 29 ASN CB C 29 39.402 40.843 -1.441 1
1 240 . 6 1 1 A 29 29 ASN N N 29 119.219 116.077 3.142 1
1 242 . 6 1 1 A 30 30 HIS H H 30 8.408 8.565 -0.157 1
1 243 . 6 1 1 A 30 30 HIS HA H 30 4.499 4.701 -0.202 1
1 247 . 6 1 1 A 30 30 HIS C C 30 175.472 175.581 -0.109 1
1 248 . 6 1 1 A 30 30 HIS CA C 30 55.538 58.201 -2.663 1
1 249 . 6 1 1 A 30 30 HIS CB C 30 31.578 30.245 1.333 1
1 251 . 6 1 1 A 30 30 HIS N N 30 120.962 123.254 -2.292 1
1 252 . 6 1 1 A 31 31 ASN H H 31 7.931 8.031 -0.100 1
1 253 . 6 1 1 A 31 31 ASN HA H 31 5.099 5.108 -0.009 1
1 258 . 6 1 1 A 31 31 ASN C C 31 170.762 172.564 -1.802 1
1 259 . 6 1 1 A 31 31 ASN CA C 31 51.130 50.731 0.399 1
1 260 . 6 1 1 A 31 31 ASN CB C 31 40.625 39.413 1.212 1
1 261 . 6 1 1 A 31 31 ASN N N 31 114.800 116.984 -2.184 1
1 263 . 6 1 1 A 32 32 PRO HA H 32 4.565 4.641 -0.076 1
1 270 . 6 1 1 A 32 32 PRO C C 32 176.832 176.771 0.061 1
1 271 . 6 1 1 A 32 32 PRO CA C 32 63.120 62.642 0.478 1
1 272 . 6 1 1 A 32 32 PRO CB C 32 31.715 32.069 -0.354 1
1 275 . 6 1 1 A 33 33 ASP H H 33 8.758 8.623 0.135 1
1 276 . 6 1 1 A 33 33 ASP HA H 33 4.526 4.722 -0.196 1
1 279 . 6 1 1 A 33 33 ASP C C 33 175.667 177.556 -1.889 1
1 280 . 6 1 1 A 33 33 ASP CA C 33 51.908 53.545 -1.637 1
1 281 . 6 1 1 A 33 33 ASP CB C 33 41.113 41.733 -0.620 1
1 282 . 6 1 1 A 33 33 ASP N N 33 123.573 121.841 1.732 1
1 283 . 6 1 1 A 34 34 ALA H H 34 8.274 8.977 -0.703 1
1 284 . 6 1 1 A 34 34 ALA HA H 34 3.914 3.939 -0.025 1
1 288 . 6 1 1 A 34 34 ALA C C 34 180.742 179.384 1.358 1
1 289 . 6 1 1 A 34 34 ALA CA C 34 56.073 55.750 0.323 1
1 290 . 6 1 1 A 34 34 ALA CB C 34 18.510 18.428 0.082 1
1 291 . 6 1 1 A 34 34 ALA N N 34 119.222 125.197 -5.975 1
1 292 . 6 1 1 A 35 35 LYS H H 35 7.931 8.299 -0.368 1
1 293 . 6 1 1 A 35 35 LYS HA H 35 4.019 3.868 0.151 1
1 302 . 6 1 1 A 35 35 LYS C C 35 179.430 178.811 0.619 1
1 303 . 6 1 1 A 35 35 LYS CA C 35 59.485 59.657 -0.172 1
1 304 . 6 1 1 A 35 35 LYS CB C 35 31.535 32.060 -0.525 1
1 308 . 6 1 1 A 35 35 LYS N N 35 119.343 118.308 1.035 1
1 309 . 6 1 1 A 36 36 ASP H H 36 8.611 8.107 0.504 1
1 310 . 6 1 1 A 36 36 ASP HA H 36 4.408 4.421 -0.013 1
1 313 . 6 1 1 A 36 36 ASP C C 36 179.479 178.720 0.759 1
1 314 . 6 1 1 A 36 36 ASP CA C 36 57.090 57.129 -0.039 1
1 315 . 6 1 1 A 36 36 ASP CB C 36 39.930 40.934 -1.004 1
1 316 . 6 1 1 A 36 36 ASP N N 36 123.478 119.812 3.666 1
1 317 . 6 1 1 A 37 37 LEU H H 37 8.743 8.232 0.511 1
1 318 . 6 1 1 A 37 37 LEU HA H 37 3.805 3.718 0.087 1
1 328 . 6 1 1 A 37 37 LEU C C 37 178.799 178.934 -0.135 1
1 329 . 6 1 1 A 37 37 LEU CA C 37 58.148 57.741 0.407 1
1 330 . 6 1 1 A 37 37 LEU CB C 37 42.233 41.644 0.589 1
1 334 . 6 1 1 A 37 37 LEU N N 37 120.010 120.621 -0.611 1
1 335 . 6 1 1 A 38 38 LYS H H 38 7.756 8.359 -0.603 1
1 336 . 6 1 1 A 38 38 LYS HA H 38 3.956 4.020 -0.064 1
1 343 . 6 1 1 A 38 38 LYS C C 38 179.090 178.632 0.458 1
1 344 . 6 1 1 A 38 38 LYS CA C 38 59.950 59.129 0.821 1
1 345 . 6 1 1 A 38 38 LYS CB C 38 32.315 32.176 0.139 1
1 349 . 6 1 1 A 38 38 LYS N N 38 120.326 117.733 2.593 1
1 350 . 6 1 1 A 39 39 GLN H H 39 7.634 7.491 0.143 1
1 351 . 6 1 1 A 39 39 GLN HA H 39 4.156 4.010 0.146 1
1 358 . 6 1 1 A 39 39 GLN C C 39 178.896 179.067 -0.171 1
1 359 . 6 1 1 A 39 39 GLN CA C 39 58.888 58.703 0.185 1
1 360 . 6 1 1 A 39 39 GLN CB C 39 28.441 28.219 0.222 1
1 362 . 6 1 1 A 39 39 GLN N N 39 119.272 119.165 0.107 1
1 364 . 6 1 1 A 40 40 LEU H H 40 8.541 8.168 0.373 1
1 365 . 6 1 1 A 40 40 LEU HA H 40 3.848 3.930 -0.082 1
1 375 . 6 1 1 A 40 40 LEU C C 40 180.256 178.895 1.361 1
1 376 . 6 1 1 A 40 40 LEU CA C 40 57.866 57.798 0.068 1
1 377 . 6 1 1 A 40 40 LEU CB C 40 43.074 41.605 1.469 1
1 381 . 6 1 1 A 40 40 LEU N N 40 120.555 119.976 0.579 1
1 382 . 6 1 1 A 41 41 ALA H H 41 8.633 8.297 0.336 1
1 383 . 6 1 1 A 41 41 ALA HA H 41 4.032 3.926 0.106 1
1 387 . 6 1 1 A 41 41 ALA C C 41 179.722 179.348 0.374 1
1 388 . 6 1 1 A 41 41 ALA CA C 41 55.923 54.870 1.053 1
1 389 . 6 1 1 A 41 41 ALA CB C 41 17.836 18.269 -0.433 1
1 390 . 6 1 1 A 41 41 ALA N N 41 127.288 120.317 6.971 1
1 391 . 6 1 1 A 42 42 GLN H H 42 7.698 7.365 0.333 1
1 392 . 6 1 1 A 42 42 GLN HA H 42 4.034 4.216 -0.182 1
1 399 . 6 1 1 A 42 42 GLN C C 42 178.848 178.110 0.738 1
1 400 . 6 1 1 A 42 42 GLN CA C 42 58.853 57.897 0.956 1
1 401 . 6 1 1 A 42 42 GLN CB C 42 28.276 29.131 -0.855 1
1 403 . 6 1 1 A 42 42 GLN N N 42 118.543 116.386 2.157 1
1 405 . 6 1 1 A 43 43 LYS H H 43 8.099 7.593 0.506 1
1 406 . 6 1 1 A 43 43 LYS HA H 43 4.172 4.083 0.089 1
1 415 . 6 1 1 A 43 43 LYS C C 43 178.581 178.018 0.563 1
1 416 . 6 1 1 A 43 43 LYS CA C 43 58.741 58.871 -0.130 1
1 417 . 6 1 1 A 43 43 LYS CB C 43 34.128 32.546 1.582 1
1 421 . 6 1 1 A 43 43 LYS N N 43 116.650 119.260 -2.610 1
1 422 . 6 1 1 A 44 44 THR H H 44 8.053 7.940 0.113 1
1 423 . 6 1 1 A 44 44 THR HA H 44 4.517 4.573 -0.056 1
1 428 . 6 1 1 A 44 44 THR C C 44 176.104 176.023 0.081 1
1 429 . 6 1 1 A 44 44 THR CA C 44 63.114 62.261 0.853 1
1 430 . 6 1 1 A 44 44 THR CB C 44 72.379 71.525 0.854 1
1 432 . 6 1 1 A 44 44 THR N N 44 105.200 107.584 -2.384 1
1 433 . 6 1 1 A 45 45 GLY H H 45 8.327 8.026 0.301 1
1 434 . 6 1 1 A 45 45 GLY HA2 H 45 3.882 3.927 -0.045 1
1 435 . 6 1 1 A 45 45 GLY HA3 H 45 4.257 3.940 0.317 1
1 436 . 6 1 1 A 45 45 GLY C C 45 174.283 174.040 0.243 1
1 437 . 6 1 1 A 45 45 GLY CA C 45 45.950 45.141 0.809 1
1 438 . 6 1 1 A 45 45 GLY N N 45 111.805 111.222 0.583 1
1 439 . 6 1 1 A 46 46 LEU H H 46 7.710 7.585 0.125 1
1 440 . 6 1 1 A 46 46 LEU HA H 46 4.692 4.514 0.178 1
1 450 . 6 1 1 A 46 46 LEU C C 46 176.249 175.594 0.655 1
1 451 . 6 1 1 A 46 46 LEU CA C 46 53.293 54.320 -1.027 1
1 452 . 6 1 1 A 46 46 LEU CB C 46 44.084 42.584 1.500 1
1 456 . 6 1 1 A 46 46 LEU N N 46 121.162 122.197 -1.035 1
1 457 . 6 1 1 A 47 47 THR H H 47 7.718 8.275 -0.557 1
1 458 . 6 1 1 A 47 47 THR HA H 47 4.379 4.838 -0.459 1
1 463 . 6 1 1 A 47 47 THR C C 47 175.594 175.132 0.462 1
1 464 . 6 1 1 A 47 47 THR CA C 47 60.475 59.609 0.866 1
1 465 . 6 1 1 A 47 47 THR CB C 47 71.045 70.657 0.388 1
1 467 . 6 1 1 A 47 47 THR N N 47 107.953 114.199 -6.246 1
1 468 . 6 1 1 A 48 48 LYS H H 48 8.750 8.997 -0.247 1
1 469 . 6 1 1 A 48 48 LYS HA H 48 3.788 3.902 -0.114 1
1 478 . 6 1 1 A 48 48 LYS C C 48 178.119 178.088 0.031 1
1 479 . 6 1 1 A 48 48 LYS CA C 48 60.816 60.230 0.586 1
1 480 . 6 1 1 A 48 48 LYS CB C 48 32.050 32.182 -0.132 1
1 484 . 6 1 1 A 48 48 LYS N N 48 120.566 127.319 -6.753 1
1 485 . 6 1 1 A 49 49 ARG H H 49 8.274 7.703 0.571 1
1 486 . 6 1 1 A 49 49 ARG HA H 49 4.214 4.129 0.085 1
1 492 . 6 1 1 A 49 49 ARG C C 49 178.216 178.729 -0.513 1
1 493 . 6 1 1 A 49 49 ARG CA C 49 59.170 58.921 0.249 1
1 494 . 6 1 1 A 49 49 ARG CB C 49 30.181 29.806 0.375 1
1 497 . 6 1 1 A 49 49 ARG N N 49 116.915 119.503 -2.588 1
1 498 . 6 1 1 A 50 50 VAL H H 50 7.310 7.981 -0.671 1
1 499 . 6 1 1 A 50 50 VAL HA H 50 3.730 3.703 0.027 1
1 507 . 6 1 1 A 50 50 VAL C C 50 179.406 178.396 1.010 1
1 508 . 6 1 1 A 50 50 VAL CA C 50 66.576 66.615 -0.039 1
1 509 . 6 1 1 A 50 50 VAL CB C 50 31.655 31.721 -0.066 1
1 512 . 6 1 1 A 50 50 VAL N N 50 119.540 119.319 0.221 1
1 513 . 6 1 1 A 51 51 LEU H H 51 8.115 8.297 -0.182 1
1 514 . 6 1 1 A 51 51 LEU HA H 51 4.133 3.925 0.208 1
1 524 . 6 1 1 A 51 51 LEU C C 51 178.726 178.933 -0.207 1
1 525 . 6 1 1 A 51 51 LEU CA C 51 58.465 58.303 0.162 1
1 526 . 6 1 1 A 51 51 LEU CB C 51 43.173 41.846 1.327 1
1 530 . 6 1 1 A 51 51 LEU N N 51 120.715 119.365 1.350 1
1 531 . 6 1 1 A 52 52 GLN H H 52 8.981 8.569 0.412 1
1 532 . 6 1 1 A 52 52 GLN HA H 52 4.131 3.987 0.144 1
1 539 . 6 1 1 A 52 52 GLN C C 52 179.600 178.668 0.932 1
1 540 . 6 1 1 A 52 52 GLN CA C 52 60.226 58.837 1.389 1
1 541 . 6 1 1 A 52 52 GLN CB C 52 29.018 28.386 0.632 1
1 543 . 6 1 1 A 52 52 GLN N N 52 118.651 116.951 1.700 1
1 545 . 6 1 1 A 53 53 VAL H H 53 8.057 8.390 -0.333 1
1 546 . 6 1 1 A 53 53 VAL HA H 53 3.723 3.766 -0.043 1
1 554 . 6 1 1 A 53 53 VAL C C 53 177.755 178.270 -0.515 1
1 555 . 6 1 1 A 53 53 VAL CA C 53 66.646 66.792 -0.146 1
1 556 . 6 1 1 A 53 53 VAL CB C 53 32.196 31.633 0.563 1
1 559 . 6 1 1 A 53 53 VAL N N 53 120.778 120.263 0.515 1
1 560 . 6 1 1 A 54 54 TRP H H 54 8.377 8.393 -0.016 1
1 561 . 6 1 1 A 54 54 TRP HA H 54 4.036 4.214 -0.178 1
1 570 . 6 1 1 A 54 54 TRP C C 54 180.110 178.096 2.014 1
1 571 . 6 1 1 A 54 54 TRP CA C 54 63.543 61.225 2.318 1
1 572 . 6 1 1 A 54 54 TRP CB C 54 28.771 29.691 -0.920 1
1 578 . 6 1 1 A 54 54 TRP N N 54 122.326 121.376 0.950 1
1 580 . 6 1 1 A 55 55 PHE H H 55 9.196 8.705 0.491 1
1 581 . 6 1 1 A 55 55 PHE HA H 55 3.808 4.274 -0.466 1
1 589 . 6 1 1 A 55 55 PHE C C 55 177.973 178.284 -0.311 1
1 590 . 6 1 1 A 55 55 PHE CA C 55 63.557 61.855 1.702 1
1 591 . 6 1 1 A 55 55 PHE CB C 55 39.139 39.142 -0.003 1
1 597 . 6 1 1 A 55 55 PHE N N 55 118.085 118.008 0.077 1
1 598 . 6 1 1 A 56 56 GLN H H 56 8.289 8.540 -0.251 1
1 599 . 6 1 1 A 56 56 GLN HA H 56 3.992 3.953 0.039 1
1 606 . 6 1 1 A 56 56 GLN C C 56 179.212 178.836 0.376 1
1 607 . 6 1 1 A 56 56 GLN CA C 56 59.699 59.315 0.384 1
1 608 . 6 1 1 A 56 56 GLN CB C 56 28.236 28.077 0.159 1
1 610 . 6 1 1 A 56 56 GLN N N 56 119.990 117.304 2.686 1
1 612 . 6 1 1 A 57 57 ASN H H 57 8.244 8.119 0.125 1
1 613 . 6 1 1 A 57 57 ASN HA H 57 4.341 4.388 -0.047 1
1 618 . 6 1 1 A 57 57 ASN C C 57 177.124 177.893 -0.769 1
1 619 . 6 1 1 A 57 57 ASN CA C 57 55.820 56.055 -0.235 1
1 620 . 6 1 1 A 57 57 ASN CB C 57 38.025 37.716 0.309 1
1 621 . 6 1 1 A 57 57 ASN N N 57 119.713 117.773 1.940 1
1 623 . 6 1 1 A 58 58 ALA H H 58 8.224 7.792 0.432 1
1 624 . 6 1 1 A 58 58 ALA HA H 58 3.323 3.663 -0.340 1
1 628 . 6 1 1 A 58 58 ALA C C 58 180.814 180.084 0.730 1
1 629 . 6 1 1 A 58 58 ALA CA C 58 54.712 54.923 -0.211 1
1 630 . 6 1 1 A 58 58 ALA CB C 58 16.697 17.752 -1.055 1
1 631 . 6 1 1 A 58 58 ALA N N 58 125.439 122.858 2.581 1
1 632 . 6 1 1 A 59 59 ARG H H 59 8.404 7.789 0.615 1
1 633 . 6 1 1 A 59 59 ARG HA H 59 4.009 4.139 -0.130 1
1 640 . 6 1 1 A 59 59 ARG C C 59 178.678 178.613 0.065 1
1 641 . 6 1 1 A 59 59 ARG CA C 59 60.969 59.683 1.286 1
1 642 . 6 1 1 A 59 59 ARG CB C 59 31.491 29.898 1.593 1
1 645 . 6 1 1 A 59 59 ARG N N 59 118.829 117.844 0.985 1
1 646 . 6 1 1 A 60 60 ALA H H 60 7.711 7.703 0.008 1
1 647 . 6 1 1 A 60 60 ALA HA H 60 4.162 4.058 0.104 1
1 651 . 6 1 1 A 60 60 ALA C C 60 180.086 179.257 0.829 1
1 652 . 6 1 1 A 60 60 ALA CA C 60 55.116 54.929 0.187 1
1 653 . 6 1 1 A 60 60 ALA CB C 60 17.993 18.411 -0.418 1
1 654 . 6 1 1 A 60 60 ALA N N 60 122.099 121.491 0.608 1
1 655 . 6 1 1 A 61 61 LYS H H 61 7.845 8.165 -0.320 1
1 656 . 6 1 1 A 61 61 LYS HA H 61 3.912 4.009 -0.097 1
1 665 . 6 1 1 A 61 61 LYS C C 61 177.876 178.495 -0.619 1
1 666 . 6 1 1 A 61 61 LYS CA C 61 58.699 59.407 -0.708 1
1 667 . 6 1 1 A 61 61 LYS CB C 61 32.412 32.274 0.138 1
1 671 . 6 1 1 A 61 61 LYS N N 61 118.453 118.523 -0.070 1
1 672 . 6 1 1 A 62 62 PHE H H 62 7.986 8.245 -0.259 1
1 673 . 6 1 1 A 62 62 PHE HA H 62 4.249 4.044 0.205 1
1 681 . 6 1 1 A 62 62 PHE C C 62 177.148 177.358 -0.210 1
1 682 . 6 1 1 A 62 62 PHE CA C 62 60.592 61.344 -0.752 1
1 683 . 6 1 1 A 62 62 PHE CB C 62 39.439 39.691 -0.252 1
1 689 . 6 1 1 A 62 62 PHE N N 62 120.207 120.439 -0.232 1
1 690 . 6 1 1 A 63 63 ARG H H 63 8.034 7.898 0.136 1
1 691 . 6 1 1 A 63 63 ARG HA H 63 4.071 4.224 -0.153 1
1 698 . 6 1 1 A 63 63 ARG C C 63 177.342 178.567 -1.225 1
1 699 . 6 1 1 A 63 63 ARG CA C 63 58.068 58.876 -0.808 1
1 700 . 6 1 1 A 63 63 ARG CB C 63 30.282 30.094 0.188 1
1 703 . 6 1 1 A 63 63 ARG N N 63 119.257 118.066 1.191 1
1 704 . 6 1 1 A 64 64 ARG H H 64 7.956 8.407 -0.451 1
1 705 . 6 1 1 A 64 64 ARG HA H 64 4.096 4.079 0.017 1
1 712 . 6 1 1 A 64 64 ARG C C 64 177.366 178.530 -1.164 1
1 713 . 6 1 1 A 64 64 ARG CA C 64 57.971 58.760 -0.789 1
1 714 . 6 1 1 A 64 64 ARG CB C 64 30.419 30.161 0.258 1
1 717 . 6 1 1 A 64 64 ARG N N 64 119.492 118.756 0.736 1
1 718 . 6 1 1 A 65 65 ASN H H 65 8.042 8.148 -0.106 1
1 719 . 6 1 1 A 65 65 ASN HA H 65 4.537 4.458 0.079 1
1 724 . 6 1 1 A 65 65 ASN C C 65 176.152 177.212 -1.060 1
1 725 . 6 1 1 A 65 65 ASN CA C 65 54.348 55.861 -1.513 1
1 726 . 6 1 1 A 65 65 ASN CB C 65 38.466 38.393 0.073 1
1 727 . 6 1 1 A 65 65 ASN N N 65 117.555 118.300 -0.745 1
1 729 . 6 1 1 A 66 66 LEU H H 66 7.777 7.321 0.456 1
1 730 . 6 1 1 A 66 66 LEU HA H 66 4.140 3.895 0.245 1
1 740 . 6 1 1 A 66 66 LEU C C 66 177.779 177.809 -0.030 1
1 741 . 6 1 1 A 66 66 LEU CA C 66 56.138 57.130 -0.992 1
1 742 . 6 1 1 A 66 66 LEU CB C 66 42.160 41.529 0.631 1
1 746 . 6 1 1 A 66 66 LEU N N 66 121.103 120.255 0.848 1
1 747 . 6 1 1 A 67 67 LEU H H 67 7.861 7.610 0.251 1
1 748 . 6 1 1 A 67 67 LEU HA H 67 4.252 4.323 -0.071 1
1 758 . 6 1 1 A 67 67 LEU C C 67 177.245 175.986 1.259 1
1 759 . 6 1 1 A 67 67 LEU CA C 67 55.445 54.444 1.001 1
1 760 . 6 1 1 A 67 67 LEU CB C 67 42.122 41.969 0.153 1
1 764 . 6 1 1 A 67 67 LEU N N 67 120.121 117.517 2.604 1
1 765 . 6 1 1 A 68 68 ARG H H 68 7.963 8.301 -0.338 1
1 766 . 6 1 1 A 68 68 ARG HA H 68 4.265 3.947 0.318 1
1 773 . 6 1 1 A 68 68 ARG C C 68 175.934 176.634 -0.700 1
1 774 . 6 1 1 A 68 68 ARG CA C 68 56.208 57.047 -0.839 1
1 775 . 6 1 1 A 68 68 ARG CB C 68 30.839 29.069 1.770 1
1 778 . 6 1 1 A 68 68 ARG N N 68 120.189 118.978 1.211 1
1 779 . 6 1 1 A 69 69 GLN H H 69 8.303 7.520 0.783 1
1 780 . 6 1 1 A 69 69 GLN HA H 69 4.320 4.516 -0.196 1
1 787 . 6 1 1 A 69 69 GLN C C 69 175.740 174.691 1.049 1
1 788 . 6 1 1 A 69 69 GLN CA C 69 55.891 54.834 1.057 1
1 789 . 6 1 1 A 69 69 GLN CB C 69 29.556 28.716 0.840 1
1 791 . 6 1 1 A 69 69 GLN N N 69 121.097 118.692 2.405 1
1 793 . 6 1 1 A 70 70 GLU H H 70 8.391 7.481 0.910 1
1 794 . 6 1 1 A 70 70 GLU HA H 70 4.290 4.844 -0.554 1
1 799 . 6 1 1 A 70 70 GLU C C 70 175.254 174.603 0.651 1
1 800 . 6 1 1 A 70 70 GLU CA C 70 56.490 55.535 0.955 1
1 801 . 6 1 1 A 70 70 GLU CB C 70 30.636 32.988 -2.352 1
1 803 . 6 1 1 A 70 70 GLU N N 70 122.138 122.534 -0.396 1
1 804 . 6 1 1 A 71 71 ASN H H 71 8.095 8.835 -0.740 1
1 805 . 6 1 1 A 71 71 ASN HA H 71 4.462 4.367 0.095 1
1 810 . 6 1 1 A 71 71 ASN C C 71 179.333 175.704 3.629 1
1 811 . 6 1 1 A 71 71 ASN CA C 71 55.009 55.358 -0.349 1
1 812 . 6 1 1 A 71 71 ASN CB C 71 41.051 38.445 2.606 1
1 813 . 6 1 1 A 71 71 ASN N N 71 124.912 123.421 1.491 1
1 815 . 6 1 1 A 72 72 GLY HA2 H 72 3.944 4.076 -0.132 1
1 816 . 6 1 1 A 72 72 GLY HA3 H 72 3.872 4.078 -0.206 1
1 817 . 6 1 1 A 72 72 GLY C C 72 175.060 172.575 2.485 1
1 818 . 6 1 1 A 72 72 GLY CA C 72 45.579 43.948 1.631 1
1 819 . 6 1 1 A 73 73 GLY H H 73 8.416 8.382 0.034 1
1 820 . 6 1 1 A 73 73 GLY HA2 H 73 3.947 4.174 -0.227 1
1 821 . 6 1 1 A 73 73 GLY HA3 H 73 3.947 4.175 -0.228 1
1 822 . 6 1 1 A 73 73 GLY C C 73 174.356 172.868 1.488 1
1 823 . 6 1 1 A 73 73 GLY CA C 73 45.280 44.989 0.291 1
1 824 . 6 1 1 A 73 73 GLY N N 73 108.960 107.111 1.849 1
1 825 . 6 1 1 A 74 74 VAL H H 74 8.059 8.624 -0.565 1
1 826 . 6 1 1 A 74 74 VAL HA H 74 4.181 4.902 -0.721 1
1 834 . 6 1 1 A 74 74 VAL C C 74 176.419 175.082 1.337 1
1 835 . 6 1 1 A 74 74 VAL CA C 74 62.309 59.477 2.832 1
1 836 . 6 1 1 A 74 74 VAL CB C 74 32.843 34.450 -1.607 1
1 839 . 6 1 1 A 74 74 VAL N N 74 118.980 121.087 -2.107 1
1 840 . 6 1 1 A 75 75 SER H H 75 8.430 8.690 -0.260 1
1 841 . 6 1 1 A 75 75 SER HA H 75 4.493 4.331 0.162 1
1 844 . 6 1 1 A 75 75 SER C C 75 174.525 174.634 -0.109 1
1 845 . 6 1 1 A 75 75 SER CA C 75 58.349 59.086 -0.737 1
1 846 . 6 1 1 A 75 75 SER CB C 75 63.880 63.453 0.427 1
1 847 . 6 1 1 A 75 75 SER N N 75 119.288 117.492 1.796 1
1 848 . 6 1 1 A 76 76 GLY H H 76 8.206 8.392 -0.186 1
1 849 . 6 1 1 A 76 76 GLY C C 76 171.757 171.987 -0.230 1
1 850 . 6 1 1 A 76 76 GLY CA C 76 44.642 45.485 -0.843 1
1 851 . 6 1 1 A 76 76 GLY N N 76 110.769 109.026 1.743 1
1 852 . 6 1 1 A 79 79 SER HA H 79 4.474 4.217 0.257 1
1 855 . 6 1 1 A 79 79 SER C C 79 173.918 175.136 -1.218 1
1 856 . 6 1 1 A 79 79 SER CA C 79 58.430 60.094 -1.664 1
1 857 . 6 1 1 A 79 79 SER CB C 79 64.045 62.602 1.443 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.959 4.220 -0.261 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.959 4.220 -0.261 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.210 173.622 0.588 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.270 44.741 0.529 1
1 5 . 7 1 1 A 8 8 LYS H H 8 7.993 8.421 -0.428 1
1 6 . 7 1 1 A 8 8 LYS C C 8 176.347 178.354 -2.007 1
1 7 . 7 1 1 A 8 8 LYS CA C 8 62.168 57.238 4.930 1
1 8 . 7 1 1 A 8 8 LYS CB C 8 32.974 34.347 -1.373 1
1 9 . 7 1 1 A 8 8 LYS N N 8 118.865 119.430 -0.565 1
1 10 . 7 1 1 A 12 12 THR HA H 12 4.227 4.732 -0.505 1
1 15 . 7 1 1 A 12 12 THR CA C 12 61.902 59.993 1.909 1
1 16 . 7 1 1 A 12 12 THR CB C 12 69.926 70.587 -0.661 1
1 18 . 7 1 1 A 13 13 SER HA H 13 4.401 4.580 -0.179 1
1 21 . 7 1 1 A 13 13 SER C C 13 173.627 173.359 0.268 1
1 22 . 7 1 1 A 13 13 SER CA C 13 57.513 57.881 -0.368 1
1 23 . 7 1 1 A 13 13 SER CB C 13 63.880 63.162 0.718 1
1 24 . 7 1 1 A 14 14 PHE H H 14 8.197 8.625 -0.428 1
1 25 . 7 1 1 A 14 14 PHE HA H 14 4.701 4.634 0.067 1
1 33 . 7 1 1 A 14 14 PHE C C 14 176.177 175.703 0.474 1
1 34 . 7 1 1 A 14 14 PHE CA C 14 57.539 58.562 -1.023 1
1 35 . 7 1 1 A 14 14 PHE CB C 14 41.041 39.841 1.200 1
1 41 . 7 1 1 A 14 14 PHE N N 14 121.084 127.349 -6.265 1
1 42 . 7 1 1 A 15 15 LYS H H 15 8.548 9.096 -0.548 1
1 43 . 7 1 1 A 15 15 LYS HA H 15 4.449 4.460 -0.011 1
1 51 . 7 1 1 A 15 15 LYS C C 15 178.532 177.476 1.056 1
1 52 . 7 1 1 A 15 15 LYS CA C 15 55.291 54.956 0.335 1
1 53 . 7 1 1 A 15 15 LYS CB C 15 33.993 34.045 -0.052 1
1 57 . 7 1 1 A 15 15 LYS N N 15 120.600 121.629 -1.029 1
1 58 . 7 1 1 A 16 16 HIS HA H 16 4.238 4.536 -0.298 1
1 62 . 7 1 1 A 16 16 HIS CA C 16 60.805 57.958 2.847 1
1 63 . 7 1 1 A 16 16 HIS CB C 16 30.416 30.169 0.247 1
1 65 . 7 1 1 A 17 17 HIS HA H 17 4.218 4.348 -0.130 1
1 69 . 7 1 1 A 17 17 HIS C C 17 177.731 177.957 -0.226 1
1 70 . 7 1 1 A 17 17 HIS CA C 17 58.994 59.264 -0.270 1
1 71 . 7 1 1 A 17 17 HIS CB C 17 29.627 30.226 -0.599 1
1 73 . 7 1 1 A 18 18 GLN H H 18 6.563 8.222 -1.659 1
1 74 . 7 1 1 A 18 18 GLN HA H 18 3.747 3.981 -0.234 1
1 81 . 7 1 1 A 18 18 GLN C C 18 177.051 178.268 -1.217 1
1 82 . 7 1 1 A 18 18 GLN CA C 18 58.148 58.430 -0.282 1
1 83 . 7 1 1 A 18 18 GLN CB C 18 27.752 28.452 -0.700 1
1 85 . 7 1 1 A 18 18 GLN N N 18 119.371 117.177 2.194 1
1 87 . 7 1 1 A 19 19 LEU H H 19 7.532 8.213 -0.681 1
1 88 . 7 1 1 A 19 19 LEU HA H 19 3.570 3.567 0.003 1
1 98 . 7 1 1 A 19 19 LEU C C 19 178.362 178.870 -0.508 1
1 99 . 7 1 1 A 19 19 LEU CA C 19 57.464 57.682 -0.218 1
1 100 . 7 1 1 A 19 19 LEU CB C 19 42.092 41.318 0.774 1
1 104 . 7 1 1 A 19 19 LEU N N 19 118.862 120.447 -1.585 1
1 105 . 7 1 1 A 20 20 ARG H H 20 8.168 8.108 0.060 1
1 106 . 7 1 1 A 20 20 ARG HA H 20 3.899 3.957 -0.058 1
1 113 . 7 1 1 A 20 20 ARG C C 20 179.358 178.540 0.818 1
1 114 . 7 1 1 A 20 20 ARG CA C 20 59.641 59.339 0.302 1
1 115 . 7 1 1 A 20 20 ARG CB C 20 29.869 30.058 -0.189 1
1 118 . 7 1 1 A 20 20 ARG N N 20 118.228 119.526 -1.298 1
1 119 . 7 1 1 A 21 21 THR H H 21 7.592 7.666 -0.074 1
1 120 . 7 1 1 A 21 21 THR HA H 21 3.854 3.886 -0.032 1
1 125 . 7 1 1 A 21 21 THR C C 21 176.662 176.950 -0.288 1
1 126 . 7 1 1 A 21 21 THR CA C 21 66.646 66.781 -0.135 1
1 127 . 7 1 1 A 21 21 THR CB C 21 68.271 68.247 0.024 1
1 129 . 7 1 1 A 21 21 THR N N 21 117.730 116.882 0.848 1
1 130 . 7 1 1 A 22 22 MET H H 22 7.910 7.910 0.000 1
1 131 . 7 1 1 A 22 22 MET HA H 22 3.537 4.249 -0.712 1
1 139 . 7 1 1 A 22 22 MET C C 22 177.099 178.640 -1.541 1
1 140 . 7 1 1 A 22 22 MET CA C 22 61.053 58.793 2.260 1
1 141 . 7 1 1 A 22 22 MET CB C 22 31.655 32.673 -1.018 1
1 144 . 7 1 1 A 22 22 MET N N 22 121.373 118.396 2.977 1
1 145 . 7 1 1 A 23 23 LYS H H 23 8.663 8.104 0.559 1
1 146 . 7 1 1 A 23 23 LYS HA H 23 4.037 4.149 -0.112 1
1 155 . 7 1 1 A 23 23 LYS C C 23 180.183 178.853 1.330 1
1 156 . 7 1 1 A 23 23 LYS CA C 23 60.743 60.140 0.603 1
1 157 . 7 1 1 A 23 23 LYS CB C 23 32.386 32.394 -0.008 1
1 161 . 7 1 1 A 23 23 LYS N N 23 117.749 120.625 -2.876 1
1 162 . 7 1 1 A 24 24 SER H H 24 8.182 7.840 0.342 1
1 163 . 7 1 1 A 24 24 SER HA H 24 4.291 4.224 0.067 1
1 166 . 7 1 1 A 24 24 SER C C 24 176.298 176.652 -0.354 1
1 167 . 7 1 1 A 24 24 SER CA C 24 61.850 61.481 0.369 1
1 168 . 7 1 1 A 24 24 SER CB C 24 62.661 63.180 -0.519 1
1 169 . 7 1 1 A 24 24 SER N N 24 115.784 114.223 1.561 1
1 170 . 7 1 1 A 25 25 TYR H H 25 7.860 8.232 -0.372 1
1 171 . 7 1 1 A 25 25 TYR HA H 25 4.168 4.389 -0.221 1
1 178 . 7 1 1 A 25 25 TYR C C 25 177.731 177.660 0.071 1
1 179 . 7 1 1 A 25 25 TYR CA C 25 62.168 61.850 0.318 1
1 180 . 7 1 1 A 25 25 TYR CB C 25 38.810 38.661 0.149 1
1 185 . 7 1 1 A 25 25 TYR N N 25 122.606 122.683 -0.077 1
1 186 . 7 1 1 A 26 26 PHE H H 26 9.057 8.431 0.626 1
1 187 . 7 1 1 A 26 26 PHE HA H 26 4.587 4.400 0.187 1
1 195 . 7 1 1 A 26 26 PHE C C 26 174.987 177.971 -2.984 1
1 196 . 7 1 1 A 26 26 PHE CA C 26 61.043 61.730 -0.687 1
1 197 . 7 1 1 A 26 26 PHE CB C 26 39.600 39.421 0.179 1
1 203 . 7 1 1 A 26 26 PHE N N 26 121.419 121.161 0.258 1
1 204 . 7 1 1 A 27 27 ALA H H 27 7.459 7.988 -0.529 1
1 205 . 7 1 1 A 27 27 ALA HA H 27 4.051 3.946 0.105 1
1 209 . 7 1 1 A 27 27 ALA C C 27 178.775 179.904 -1.129 1
1 210 . 7 1 1 A 27 27 ALA CA C 27 54.233 54.950 -0.717 1
1 211 . 7 1 1 A 27 27 ALA CB C 27 18.405 18.443 -0.038 1
1 212 . 7 1 1 A 27 27 ALA N N 27 114.718 121.036 -6.318 1
1 213 . 7 1 1 A 28 28 ILE H H 28 7.405 7.423 -0.018 1
1 214 . 7 1 1 A 28 28 ILE HA H 28 3.985 3.734 0.251 1
1 224 . 7 1 1 A 28 28 ILE C C 28 176.055 175.957 0.098 1
1 225 . 7 1 1 A 28 28 ILE CA C 28 61.603 63.895 -2.292 1
1 226 . 7 1 1 A 28 28 ILE CB C 28 39.090 37.992 1.098 1
1 230 . 7 1 1 A 28 28 ILE N N 28 115.025 115.627 -0.602 1
1 231 . 7 1 1 A 29 29 ASN H H 29 8.087 7.759 0.328 1
1 232 . 7 1 1 A 29 29 ASN HA H 29 4.511 4.745 -0.234 1
1 237 . 7 1 1 A 29 29 ASN C C 29 172.947 174.817 -1.870 1
1 238 . 7 1 1 A 29 29 ASN CA C 29 52.594 52.093 0.501 1
1 239 . 7 1 1 A 29 29 ASN CB C 29 39.402 40.761 -1.359 1
1 240 . 7 1 1 A 29 29 ASN N N 29 119.219 116.204 3.015 1
1 242 . 7 1 1 A 30 30 HIS H H 30 8.408 8.602 -0.194 1
1 243 . 7 1 1 A 30 30 HIS HA H 30 4.499 4.602 -0.103 1
1 247 . 7 1 1 A 30 30 HIS C C 30 175.472 175.526 -0.054 1
1 248 . 7 1 1 A 30 30 HIS CA C 30 55.538 58.217 -2.679 1
1 249 . 7 1 1 A 30 30 HIS CB C 30 31.578 30.121 1.457 1
1 251 . 7 1 1 A 30 30 HIS N N 30 120.962 123.710 -2.748 1
1 252 . 7 1 1 A 31 31 ASN H H 31 7.931 7.618 0.313 1
1 253 . 7 1 1 A 31 31 ASN HA H 31 5.099 5.158 -0.059 1
1 258 . 7 1 1 A 31 31 ASN C C 31 170.762 172.554 -1.792 1
1 259 . 7 1 1 A 31 31 ASN CA C 31 51.130 50.770 0.360 1
1 260 . 7 1 1 A 31 31 ASN CB C 31 40.625 39.282 1.343 1
1 261 . 7 1 1 A 31 31 ASN N N 31 114.800 116.894 -2.094 1
1 263 . 7 1 1 A 32 32 PRO HA H 32 4.565 4.673 -0.108 1
1 270 . 7 1 1 A 32 32 PRO C C 32 176.832 175.838 0.994 1
1 271 . 7 1 1 A 32 32 PRO CA C 32 63.120 62.593 0.527 1
1 272 . 7 1 1 A 32 32 PRO CB C 32 31.715 31.988 -0.273 1
1 275 . 7 1 1 A 33 33 ASP H H 33 8.758 8.630 0.128 1
1 276 . 7 1 1 A 33 33 ASP HA H 33 4.526 4.884 -0.358 1
1 279 . 7 1 1 A 33 33 ASP C C 33 175.667 176.968 -1.301 1
1 280 . 7 1 1 A 33 33 ASP CA C 33 51.908 53.465 -1.557 1
1 281 . 7 1 1 A 33 33 ASP CB C 33 41.113 42.284 -1.171 1
1 282 . 7 1 1 A 33 33 ASP N N 33 123.573 122.234 1.339 1
1 283 . 7 1 1 A 34 34 ALA H H 34 8.274 8.961 -0.687 1
1 284 . 7 1 1 A 34 34 ALA HA H 34 3.914 3.943 -0.029 1
1 288 . 7 1 1 A 34 34 ALA C C 34 180.742 179.595 1.147 1
1 289 . 7 1 1 A 34 34 ALA CA C 34 56.073 55.646 0.427 1
1 290 . 7 1 1 A 34 34 ALA CB C 34 18.510 18.137 0.373 1
1 291 . 7 1 1 A 34 34 ALA N N 34 119.222 127.244 -8.022 1
1 292 . 7 1 1 A 35 35 LYS H H 35 7.931 8.068 -0.137 1
1 293 . 7 1 1 A 35 35 LYS HA H 35 4.019 3.902 0.117 1
1 302 . 7 1 1 A 35 35 LYS C C 35 179.430 178.256 1.174 1
1 303 . 7 1 1 A 35 35 LYS CA C 35 59.485 59.663 -0.178 1
1 304 . 7 1 1 A 35 35 LYS CB C 35 31.535 32.516 -0.981 1
1 308 . 7 1 1 A 35 35 LYS N N 35 119.343 118.330 1.013 1
1 309 . 7 1 1 A 36 36 ASP H H 36 8.611 8.071 0.540 1
1 310 . 7 1 1 A 36 36 ASP HA H 36 4.408 4.428 -0.020 1
1 313 . 7 1 1 A 36 36 ASP C C 36 179.479 179.013 0.466 1
1 314 . 7 1 1 A 36 36 ASP CA C 36 57.090 56.538 0.552 1
1 315 . 7 1 1 A 36 36 ASP CB C 36 39.930 40.457 -0.527 1
1 316 . 7 1 1 A 36 36 ASP N N 36 123.478 119.111 4.367 1
1 317 . 7 1 1 A 37 37 LEU H H 37 8.743 7.968 0.775 1
1 318 . 7 1 1 A 37 37 LEU HA H 37 3.805 3.891 -0.086 1
1 328 . 7 1 1 A 37 37 LEU C C 37 178.799 179.509 -0.710 1
1 329 . 7 1 1 A 37 37 LEU CA C 37 58.148 57.233 0.915 1
1 330 . 7 1 1 A 37 37 LEU CB C 37 42.233 41.324 0.909 1
1 334 . 7 1 1 A 37 37 LEU N N 37 120.010 119.950 0.060 1
1 335 . 7 1 1 A 38 38 LYS H H 38 7.756 8.284 -0.528 1
1 336 . 7 1 1 A 38 38 LYS HA H 38 3.956 4.016 -0.060 1
1 343 . 7 1 1 A 38 38 LYS C C 38 179.090 178.521 0.569 1
1 344 . 7 1 1 A 38 38 LYS CA C 38 59.950 58.935 1.015 1
1 345 . 7 1 1 A 38 38 LYS CB C 38 32.315 32.028 0.287 1
1 349 . 7 1 1 A 38 38 LYS N N 38 120.326 118.834 1.492 1
1 350 . 7 1 1 A 39 39 GLN H H 39 7.634 7.468 0.166 1
1 351 . 7 1 1 A 39 39 GLN HA H 39 4.156 4.032 0.124 1
1 358 . 7 1 1 A 39 39 GLN C C 39 178.896 179.300 -0.404 1
1 359 . 7 1 1 A 39 39 GLN CA C 39 58.888 58.416 0.472 1
1 360 . 7 1 1 A 39 39 GLN CB C 39 28.441 28.363 0.078 1
1 362 . 7 1 1 A 39 39 GLN N N 39 119.272 119.101 0.171 1
1 364 . 7 1 1 A 40 40 LEU H H 40 8.541 7.830 0.711 1
1 365 . 7 1 1 A 40 40 LEU HA H 40 3.848 4.054 -0.206 1
1 375 . 7 1 1 A 40 40 LEU C C 40 180.256 178.908 1.348 1
1 376 . 7 1 1 A 40 40 LEU CA C 40 57.866 57.699 0.167 1
1 377 . 7 1 1 A 40 40 LEU CB C 40 43.074 41.409 1.665 1
1 381 . 7 1 1 A 40 40 LEU N N 40 120.555 120.465 0.090 1
1 382 . 7 1 1 A 41 41 ALA H H 41 8.633 7.852 0.781 1
1 383 . 7 1 1 A 41 41 ALA HA H 41 4.032 3.895 0.137 1
1 387 . 7 1 1 A 41 41 ALA C C 41 179.722 178.843 0.879 1
1 388 . 7 1 1 A 41 41 ALA CA C 41 55.923 54.722 1.201 1
1 389 . 7 1 1 A 41 41 ALA CB C 41 17.836 18.568 -0.732 1
1 390 . 7 1 1 A 41 41 ALA N N 41 127.288 120.438 6.850 1
1 391 . 7 1 1 A 42 42 GLN H H 42 7.698 7.729 -0.031 1
1 392 . 7 1 1 A 42 42 GLN HA H 42 4.034 4.333 -0.299 1
1 399 . 7 1 1 A 42 42 GLN C C 42 178.848 178.012 0.836 1
1 400 . 7 1 1 A 42 42 GLN CA C 42 58.853 57.314 1.539 1
1 401 . 7 1 1 A 42 42 GLN CB C 42 28.276 29.730 -1.454 1
1 403 . 7 1 1 A 42 42 GLN N N 42 118.543 115.974 2.569 1
1 405 . 7 1 1 A 43 43 LYS H H 43 8.099 7.757 0.342 1
1 406 . 7 1 1 A 43 43 LYS HA H 43 4.172 4.064 0.108 1
1 415 . 7 1 1 A 43 43 LYS C C 43 178.581 177.823 0.758 1
1 416 . 7 1 1 A 43 43 LYS CA C 43 58.741 58.516 0.225 1
1 417 . 7 1 1 A 43 43 LYS CB C 43 34.128 32.352 1.776 1
1 421 . 7 1 1 A 43 43 LYS N N 43 116.650 119.557 -2.907 1
1 422 . 7 1 1 A 44 44 THR H H 44 8.053 7.579 0.474 1
1 423 . 7 1 1 A 44 44 THR HA H 44 4.517 4.534 -0.017 1
1 428 . 7 1 1 A 44 44 THR C C 44 176.104 175.883 0.221 1
1 429 . 7 1 1 A 44 44 THR CA C 44 63.114 62.089 1.025 1
1 430 . 7 1 1 A 44 44 THR CB C 44 72.379 71.407 0.972 1
1 432 . 7 1 1 A 44 44 THR N N 44 105.200 108.435 -3.235 1
1 433 . 7 1 1 A 45 45 GLY H H 45 8.327 8.006 0.321 1
1 434 . 7 1 1 A 45 45 GLY HA2 H 45 3.882 3.950 -0.068 1
1 435 . 7 1 1 A 45 45 GLY HA3 H 45 4.257 3.953 0.304 1
1 436 . 7 1 1 A 45 45 GLY C C 45 174.283 174.207 0.076 1
1 437 . 7 1 1 A 45 45 GLY CA C 45 45.950 44.972 0.978 1
1 438 . 7 1 1 A 45 45 GLY N N 45 111.805 111.247 0.558 1
1 439 . 7 1 1 A 46 46 LEU H H 46 7.710 7.496 0.214 1
1 440 . 7 1 1 A 46 46 LEU HA H 46 4.692 4.502 0.190 1
1 450 . 7 1 1 A 46 46 LEU C C 46 176.249 176.524 -0.275 1
1 451 . 7 1 1 A 46 46 LEU CA C 46 53.293 54.591 -1.298 1
1 452 . 7 1 1 A 46 46 LEU CB C 46 44.084 42.468 1.616 1
1 456 . 7 1 1 A 46 46 LEU N N 46 121.162 122.393 -1.231 1
1 457 . 7 1 1 A 47 47 THR H H 47 7.718 8.436 -0.718 1
1 458 . 7 1 1 A 47 47 THR HA H 47 4.379 4.612 -0.233 1
1 463 . 7 1 1 A 47 47 THR C C 47 175.594 174.914 0.680 1
1 464 . 7 1 1 A 47 47 THR CA C 47 60.475 60.412 0.063 1
1 465 . 7 1 1 A 47 47 THR CB C 47 71.045 70.754 0.291 1
1 467 . 7 1 1 A 47 47 THR N N 47 107.953 114.942 -6.989 1
1 468 . 7 1 1 A 48 48 LYS H H 48 8.750 8.975 -0.225 1
1 469 . 7 1 1 A 48 48 LYS HA H 48 3.788 3.900 -0.112 1
1 478 . 7 1 1 A 48 48 LYS C C 48 178.119 177.766 0.353 1
1 479 . 7 1 1 A 48 48 LYS CA C 48 60.816 60.298 0.518 1
1 480 . 7 1 1 A 48 48 LYS CB C 48 32.050 32.121 -0.071 1
1 484 . 7 1 1 A 48 48 LYS N N 48 120.566 126.714 -6.148 1
1 485 . 7 1 1 A 49 49 ARG H H 49 8.274 7.677 0.597 1
1 486 . 7 1 1 A 49 49 ARG HA H 49 4.214 4.101 0.113 1
1 492 . 7 1 1 A 49 49 ARG C C 49 178.216 178.892 -0.676 1
1 493 . 7 1 1 A 49 49 ARG CA C 49 59.170 58.751 0.419 1
1 494 . 7 1 1 A 49 49 ARG CB C 49 30.181 29.991 0.190 1
1 497 . 7 1 1 A 49 49 ARG N N 49 116.915 119.788 -2.873 1
1 498 . 7 1 1 A 50 50 VAL H H 50 7.310 7.698 -0.388 1
1 499 . 7 1 1 A 50 50 VAL HA H 50 3.730 3.715 0.015 1
1 507 . 7 1 1 A 50 50 VAL C C 50 179.406 177.857 1.549 1
1 508 . 7 1 1 A 50 50 VAL CA C 50 66.576 66.050 0.526 1
1 509 . 7 1 1 A 50 50 VAL CB C 50 31.655 31.881 -0.226 1
1 512 . 7 1 1 A 50 50 VAL N N 50 119.540 119.721 -0.181 1
1 513 . 7 1 1 A 51 51 LEU H H 51 8.115 8.248 -0.133 1
1 514 . 7 1 1 A 51 51 LEU HA H 51 4.133 3.970 0.163 1
1 524 . 7 1 1 A 51 51 LEU C C 51 178.726 179.522 -0.796 1
1 525 . 7 1 1 A 51 51 LEU CA C 51 58.465 58.007 0.458 1
1 526 . 7 1 1 A 51 51 LEU CB C 51 43.173 41.301 1.872 1
1 530 . 7 1 1 A 51 51 LEU N N 51 120.715 118.872 1.843 1
1 531 . 7 1 1 A 52 52 GLN H H 52 8.981 8.178 0.803 1
1 532 . 7 1 1 A 52 52 GLN HA H 52 4.131 4.076 0.055 1
1 539 . 7 1 1 A 52 52 GLN C C 52 179.600 178.600 1.000 1
1 540 . 7 1 1 A 52 52 GLN CA C 52 60.226 58.363 1.863 1
1 541 . 7 1 1 A 52 52 GLN CB C 52 29.018 28.413 0.605 1
1 543 . 7 1 1 A 52 52 GLN N N 52 118.651 118.742 -0.091 1
1 545 . 7 1 1 A 53 53 VAL H H 53 8.057 7.978 0.079 1
1 546 . 7 1 1 A 53 53 VAL HA H 53 3.723 3.997 -0.274 1
1 554 . 7 1 1 A 53 53 VAL C C 53 177.755 178.407 -0.652 1
1 555 . 7 1 1 A 53 53 VAL CA C 53 66.646 66.844 -0.198 1
1 556 . 7 1 1 A 53 53 VAL CB C 53 32.196 31.653 0.543 1
1 559 . 7 1 1 A 53 53 VAL N N 53 120.778 120.275 0.503 1
1 560 . 7 1 1 A 54 54 TRP H H 54 8.377 8.273 0.104 1
1 561 . 7 1 1 A 54 54 TRP HA H 54 4.036 4.238 -0.202 1
1 570 . 7 1 1 A 54 54 TRP C C 54 180.110 178.004 2.106 1
1 571 . 7 1 1 A 54 54 TRP CA C 54 63.543 61.145 2.398 1
1 572 . 7 1 1 A 54 54 TRP CB C 54 28.771 29.905 -1.134 1
1 578 . 7 1 1 A 54 54 TRP N N 54 122.326 121.482 0.844 1
1 580 . 7 1 1 A 55 55 PHE H H 55 9.196 8.418 0.778 1
1 581 . 7 1 1 A 55 55 PHE HA H 55 3.808 4.205 -0.397 1
1 589 . 7 1 1 A 55 55 PHE C C 55 177.973 178.232 -0.259 1
1 590 . 7 1 1 A 55 55 PHE CA C 55 63.557 62.000 1.557 1
1 591 . 7 1 1 A 55 55 PHE CB C 55 39.139 38.941 0.198 1
1 597 . 7 1 1 A 55 55 PHE N N 55 118.085 118.079 0.006 1
1 598 . 7 1 1 A 56 56 GLN H H 56 8.289 8.395 -0.106 1
1 599 . 7 1 1 A 56 56 GLN HA H 56 3.992 3.937 0.055 1
1 606 . 7 1 1 A 56 56 GLN C C 56 179.212 179.111 0.101 1
1 607 . 7 1 1 A 56 56 GLN CA C 56 59.699 59.281 0.418 1
1 608 . 7 1 1 A 56 56 GLN CB C 56 28.236 28.275 -0.039 1
1 610 . 7 1 1 A 56 56 GLN N N 56 119.990 117.261 2.729 1
1 612 . 7 1 1 A 57 57 ASN H H 57 8.244 8.205 0.039 1
1 613 . 7 1 1 A 57 57 ASN HA H 57 4.341 4.406 -0.065 1
1 618 . 7 1 1 A 57 57 ASN C C 57 177.124 177.439 -0.315 1
1 619 . 7 1 1 A 57 57 ASN CA C 57 55.820 55.904 -0.084 1
1 620 . 7 1 1 A 57 57 ASN CB C 57 38.025 38.197 -0.172 1
1 621 . 7 1 1 A 57 57 ASN N N 57 119.713 117.233 2.480 1
1 623 . 7 1 1 A 58 58 ALA H H 58 8.224 7.720 0.504 1
1 624 . 7 1 1 A 58 58 ALA HA H 58 3.323 3.641 -0.318 1
1 628 . 7 1 1 A 58 58 ALA C C 58 180.814 179.097 1.717 1
1 629 . 7 1 1 A 58 58 ALA CA C 58 54.712 54.339 0.373 1
1 630 . 7 1 1 A 58 58 ALA CB C 58 16.697 17.346 -0.649 1
1 631 . 7 1 1 A 58 58 ALA N N 58 125.439 122.132 3.307 1
1 632 . 7 1 1 A 59 59 ARG H H 59 8.404 7.565 0.839 1
1 633 . 7 1 1 A 59 59 ARG HA H 59 4.009 4.134 -0.125 1
1 640 . 7 1 1 A 59 59 ARG C C 59 178.678 178.730 -0.052 1
1 641 . 7 1 1 A 59 59 ARG CA C 59 60.969 59.372 1.597 1
1 642 . 7 1 1 A 59 59 ARG CB C 59 31.491 29.442 2.049 1
1 645 . 7 1 1 A 59 59 ARG N N 59 118.829 117.903 0.926 1
1 646 . 7 1 1 A 60 60 ALA H H 60 7.711 7.462 0.249 1
1 647 . 7 1 1 A 60 60 ALA HA H 60 4.162 4.079 0.083 1
1 651 . 7 1 1 A 60 60 ALA C C 60 180.086 179.958 0.128 1
1 652 . 7 1 1 A 60 60 ALA CA C 60 55.116 54.707 0.409 1
1 653 . 7 1 1 A 60 60 ALA CB C 60 17.993 18.368 -0.375 1
1 654 . 7 1 1 A 60 60 ALA N N 60 122.099 122.128 -0.029 1
1 655 . 7 1 1 A 61 61 LYS H H 61 7.845 7.477 0.368 1
1 656 . 7 1 1 A 61 61 LYS HA H 61 3.912 4.076 -0.164 1
1 665 . 7 1 1 A 61 61 LYS C C 61 177.876 178.807 -0.931 1
1 666 . 7 1 1 A 61 61 LYS CA C 61 58.699 59.057 -0.358 1
1 667 . 7 1 1 A 61 61 LYS CB C 61 32.412 32.241 0.171 1
1 671 . 7 1 1 A 61 61 LYS N N 61 118.453 116.760 1.693 1
1 672 . 7 1 1 A 62 62 PHE H H 62 7.986 7.953 0.033 1
1 673 . 7 1 1 A 62 62 PHE HA H 62 4.249 4.202 0.047 1
1 681 . 7 1 1 A 62 62 PHE C C 62 177.148 177.176 -0.028 1
1 682 . 7 1 1 A 62 62 PHE CA C 62 60.592 61.823 -1.231 1
1 683 . 7 1 1 A 62 62 PHE CB C 62 39.439 39.139 0.300 1
1 689 . 7 1 1 A 62 62 PHE N N 62 120.207 121.586 -1.379 1
1 690 . 7 1 1 A 63 63 ARG H H 63 8.034 7.843 0.191 1
1 691 . 7 1 1 A 63 63 ARG HA H 63 4.071 3.881 0.190 1
1 698 . 7 1 1 A 63 63 ARG C C 63 177.342 178.782 -1.440 1
1 699 . 7 1 1 A 63 63 ARG CA C 63 58.068 59.517 -1.449 1
1 700 . 7 1 1 A 63 63 ARG CB C 63 30.282 29.961 0.321 1
1 703 . 7 1 1 A 63 63 ARG N N 63 119.257 117.530 1.727 1
1 704 . 7 1 1 A 64 64 ARG H H 64 7.956 7.642 0.314 1
1 705 . 7 1 1 A 64 64 ARG HA H 64 4.096 3.981 0.115 1
1 712 . 7 1 1 A 64 64 ARG C C 64 177.366 178.710 -1.344 1
1 713 . 7 1 1 A 64 64 ARG CA C 64 57.971 59.267 -1.296 1
1 714 . 7 1 1 A 64 64 ARG CB C 64 30.419 29.916 0.503 1
1 717 . 7 1 1 A 64 64 ARG N N 64 119.492 119.309 0.183 1
1 718 . 7 1 1 A 65 65 ASN H H 65 8.042 7.775 0.267 1
1 719 . 7 1 1 A 65 65 ASN HA H 65 4.537 4.436 0.101 1
1 724 . 7 1 1 A 65 65 ASN C C 65 176.152 176.876 -0.724 1
1 725 . 7 1 1 A 65 65 ASN CA C 65 54.348 55.011 -0.663 1
1 726 . 7 1 1 A 65 65 ASN CB C 65 38.466 38.286 0.180 1
1 727 . 7 1 1 A 65 65 ASN N N 65 117.555 117.923 -0.368 1
1 729 . 7 1 1 A 66 66 LEU H H 66 7.777 7.835 -0.058 1
1 730 . 7 1 1 A 66 66 LEU HA H 66 4.140 4.074 0.066 1
1 740 . 7 1 1 A 66 66 LEU C C 66 177.779 178.023 -0.244 1
1 741 . 7 1 1 A 66 66 LEU CA C 66 56.138 55.560 0.578 1
1 742 . 7 1 1 A 66 66 LEU CB C 66 42.160 42.482 -0.322 1
1 746 . 7 1 1 A 66 66 LEU N N 66 121.103 120.045 1.058 1
1 747 . 7 1 1 A 67 67 LEU H H 67 7.861 7.547 0.314 1
1 748 . 7 1 1 A 67 67 LEU HA H 67 4.252 4.428 -0.176 1
1 758 . 7 1 1 A 67 67 LEU C C 67 177.245 176.536 0.709 1
1 759 . 7 1 1 A 67 67 LEU CA C 67 55.445 54.036 1.409 1
1 760 . 7 1 1 A 67 67 LEU CB C 67 42.122 41.850 0.272 1
1 764 . 7 1 1 A 67 67 LEU N N 67 120.121 118.877 1.244 1
1 765 . 7 1 1 A 68 68 ARG H H 68 7.963 7.625 0.338 1
1 766 . 7 1 1 A 68 68 ARG HA H 68 4.265 4.346 -0.081 1
1 773 . 7 1 1 A 68 68 ARG C C 68 175.934 176.171 -0.237 1
1 774 . 7 1 1 A 68 68 ARG CA C 68 56.208 55.728 0.480 1
1 775 . 7 1 1 A 68 68 ARG CB C 68 30.839 31.047 -0.208 1
1 778 . 7 1 1 A 68 68 ARG N N 68 120.189 122.674 -2.485 1
1 779 . 7 1 1 A 69 69 GLN H H 69 8.303 8.206 0.097 1
1 780 . 7 1 1 A 69 69 GLN HA H 69 4.320 4.223 0.097 1
1 787 . 7 1 1 A 69 69 GLN C C 69 175.740 175.492 0.248 1
1 788 . 7 1 1 A 69 69 GLN CA C 69 55.891 56.731 -0.840 1
1 789 . 7 1 1 A 69 69 GLN CB C 69 29.556 28.938 0.618 1
1 791 . 7 1 1 A 69 69 GLN N N 69 121.097 127.114 -6.017 1
1 793 . 7 1 1 A 70 70 GLU H H 70 8.391 8.208 0.183 1
1 794 . 7 1 1 A 70 70 GLU HA H 70 4.290 4.746 -0.456 1
1 799 . 7 1 1 A 70 70 GLU C C 70 175.254 175.940 -0.686 1
1 800 . 7 1 1 A 70 70 GLU CA C 70 56.490 55.436 1.054 1
1 801 . 7 1 1 A 70 70 GLU CB C 70 30.636 31.037 -0.401 1
1 803 . 7 1 1 A 70 70 GLU N N 70 122.138 124.605 -2.467 1
1 804 . 7 1 1 A 71 71 ASN H H 71 8.095 8.488 -0.393 1
1 805 . 7 1 1 A 71 71 ASN HA H 71 4.462 4.696 -0.234 1
1 810 . 7 1 1 A 71 71 ASN C C 71 179.333 175.580 3.753 1
1 811 . 7 1 1 A 71 71 ASN CA C 71 55.009 53.639 1.370 1
1 812 . 7 1 1 A 71 71 ASN CB C 71 41.051 39.608 1.443 1
1 813 . 7 1 1 A 71 71 ASN N N 71 124.912 121.344 3.568 1
1 815 . 7 1 1 A 72 72 GLY HA2 H 72 3.944 3.973 -0.029 1
1 816 . 7 1 1 A 72 72 GLY HA3 H 72 3.872 3.973 -0.101 1
1 817 . 7 1 1 A 72 72 GLY C C 72 175.060 173.309 1.751 1
1 818 . 7 1 1 A 72 72 GLY CA C 72 45.579 45.827 -0.248 1
1 819 . 7 1 1 A 73 73 GLY H H 73 8.416 8.327 0.089 1
1 820 . 7 1 1 A 73 73 GLY HA2 H 73 3.947 4.333 -0.386 1
1 821 . 7 1 1 A 73 73 GLY HA3 H 73 3.947 4.334 -0.387 1
1 822 . 7 1 1 A 73 73 GLY C C 73 174.356 174.422 -0.066 1
1 823 . 7 1 1 A 73 73 GLY CA C 73 45.280 44.773 0.507 1
1 824 . 7 1 1 A 73 73 GLY N N 73 108.960 112.005 -3.045 1
1 825 . 7 1 1 A 74 74 VAL H H 74 8.059 8.865 -0.806 1
1 826 . 7 1 1 A 74 74 VAL HA H 74 4.181 3.712 0.469 1
1 834 . 7 1 1 A 74 74 VAL C C 74 176.419 176.818 -0.399 1
1 835 . 7 1 1 A 74 74 VAL CA C 74 62.309 66.075 -3.766 1
1 836 . 7 1 1 A 74 74 VAL CB C 74 32.843 31.941 0.902 1
1 839 . 7 1 1 A 74 74 VAL N N 74 118.980 119.124 -0.144 1
1 840 . 7 1 1 A 75 75 SER H H 75 8.430 7.787 0.643 1
1 841 . 7 1 1 A 75 75 SER HA H 75 4.493 4.162 0.331 1
1 844 . 7 1 1 A 75 75 SER C C 75 174.525 174.810 -0.285 1
1 845 . 7 1 1 A 75 75 SER CA C 75 58.349 60.071 -1.722 1
1 846 . 7 1 1 A 75 75 SER CB C 75 63.880 62.706 1.174 1
1 847 . 7 1 1 A 75 75 SER N N 75 119.288 116.708 2.580 1
1 848 . 7 1 1 A 76 76 GLY H H 76 8.206 8.659 -0.453 1
1 849 . 7 1 1 A 76 76 GLY C C 76 171.757 173.448 -1.691 1
1 850 . 7 1 1 A 76 76 GLY CA C 76 44.642 44.853 -0.211 1
1 851 . 7 1 1 A 76 76 GLY N N 76 110.769 115.956 -5.187 1
1 852 . 7 1 1 A 79 79 SER HA H 79 4.474 4.360 0.114 1
1 855 . 7 1 1 A 79 79 SER C C 79 173.918 174.463 -0.545 1
1 856 . 7 1 1 A 79 79 SER CA C 79 58.430 59.381 -0.951 1
1 857 . 7 1 1 A 79 79 SER CB C 79 64.045 63.859 0.186 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.959 4.035 -0.076 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.959 4.036 -0.077 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.210 172.699 1.511 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.270 44.963 0.307 1
1 5 . 8 1 1 A 8 8 LYS H H 8 7.993 8.503 -0.510 1
1 6 . 8 1 1 A 8 8 LYS C C 8 176.347 176.118 0.229 1
1 7 . 8 1 1 A 8 8 LYS CA C 8 62.168 54.694 7.474 1
1 8 . 8 1 1 A 8 8 LYS CB C 8 32.974 34.324 -1.350 1
1 9 . 8 1 1 A 8 8 LYS N N 8 118.865 121.844 -2.979 1
1 10 . 8 1 1 A 12 12 THR HA H 12 4.227 4.180 0.047 1
1 15 . 8 1 1 A 12 12 THR CA C 12 61.902 60.982 0.920 1
1 16 . 8 1 1 A 12 12 THR CB C 12 69.926 67.749 2.177 1
1 18 . 8 1 1 A 13 13 SER HA H 13 4.401 4.365 0.036 1
1 21 . 8 1 1 A 13 13 SER C C 13 173.627 174.202 -0.575 1
1 22 . 8 1 1 A 13 13 SER CA C 13 57.513 57.905 -0.392 1
1 23 . 8 1 1 A 13 13 SER CB C 13 63.880 63.280 0.600 1
1 24 . 8 1 1 A 14 14 PHE H H 14 8.197 8.918 -0.721 1
1 25 . 8 1 1 A 14 14 PHE HA H 14 4.701 4.852 -0.151 1
1 33 . 8 1 1 A 14 14 PHE C C 14 176.177 175.692 0.485 1
1 34 . 8 1 1 A 14 14 PHE CA C 14 57.539 57.201 0.338 1
1 35 . 8 1 1 A 14 14 PHE CB C 14 41.041 41.496 -0.455 1
1 41 . 8 1 1 A 14 14 PHE N N 14 121.084 123.665 -2.581 1
1 42 . 8 1 1 A 15 15 LYS H H 15 8.548 9.046 -0.498 1
1 43 . 8 1 1 A 15 15 LYS HA H 15 4.449 4.661 -0.212 1
1 51 . 8 1 1 A 15 15 LYS C C 15 178.532 177.937 0.595 1
1 52 . 8 1 1 A 15 15 LYS CA C 15 55.291 55.437 -0.146 1
1 53 . 8 1 1 A 15 15 LYS CB C 15 33.993 33.534 0.459 1
1 57 . 8 1 1 A 15 15 LYS N N 15 120.600 121.402 -0.802 1
1 58 . 8 1 1 A 16 16 HIS HA H 16 4.238 4.210 0.028 1
1 62 . 8 1 1 A 16 16 HIS CA C 16 60.805 58.755 2.050 1
1 63 . 8 1 1 A 16 16 HIS CB C 16 30.416 30.227 0.189 1
1 65 . 8 1 1 A 17 17 HIS HA H 17 4.218 4.267 -0.049 1
1 69 . 8 1 1 A 17 17 HIS C C 17 177.731 177.858 -0.127 1
1 70 . 8 1 1 A 17 17 HIS CA C 17 58.994 59.219 -0.225 1
1 71 . 8 1 1 A 17 17 HIS CB C 17 29.627 30.006 -0.379 1
1 73 . 8 1 1 A 18 18 GLN H H 18 6.563 8.203 -1.640 1
1 74 . 8 1 1 A 18 18 GLN HA H 18 3.747 3.958 -0.211 1
1 81 . 8 1 1 A 18 18 GLN C C 18 177.051 178.095 -1.044 1
1 82 . 8 1 1 A 18 18 GLN CA C 18 58.148 58.460 -0.312 1
1 83 . 8 1 1 A 18 18 GLN CB C 18 27.752 28.527 -0.775 1
1 85 . 8 1 1 A 18 18 GLN N N 18 119.371 117.264 2.107 1
1 87 . 8 1 1 A 19 19 LEU H H 19 7.532 8.065 -0.533 1
1 88 . 8 1 1 A 19 19 LEU HA H 19 3.570 3.531 0.039 1
1 98 . 8 1 1 A 19 19 LEU C C 19 178.362 178.732 -0.370 1
1 99 . 8 1 1 A 19 19 LEU CA C 19 57.464 57.623 -0.159 1
1 100 . 8 1 1 A 19 19 LEU CB C 19 42.092 41.279 0.813 1
1 104 . 8 1 1 A 19 19 LEU N N 19 118.862 120.394 -1.532 1
1 105 . 8 1 1 A 20 20 ARG H H 20 8.168 8.090 0.078 1
1 106 . 8 1 1 A 20 20 ARG HA H 20 3.899 3.871 0.028 1
1 113 . 8 1 1 A 20 20 ARG C C 20 179.358 178.592 0.766 1
1 114 . 8 1 1 A 20 20 ARG CA C 20 59.641 59.148 0.493 1
1 115 . 8 1 1 A 20 20 ARG CB C 20 29.869 30.025 -0.156 1
1 118 . 8 1 1 A 20 20 ARG N N 20 118.228 119.569 -1.341 1
1 119 . 8 1 1 A 21 21 THR H H 21 7.592 7.786 -0.194 1
1 120 . 8 1 1 A 21 21 THR HA H 21 3.854 3.906 -0.052 1
1 125 . 8 1 1 A 21 21 THR C C 21 176.662 176.928 -0.266 1
1 126 . 8 1 1 A 21 21 THR CA C 21 66.646 66.902 -0.256 1
1 127 . 8 1 1 A 21 21 THR CB C 21 68.271 68.309 -0.038 1
1 129 . 8 1 1 A 21 21 THR N N 21 117.730 116.487 1.243 1
1 130 . 8 1 1 A 22 22 MET H H 22 7.910 7.795 0.115 1
1 131 . 8 1 1 A 22 22 MET HA H 22 3.537 4.082 -0.545 1
1 139 . 8 1 1 A 22 22 MET C C 22 177.099 178.664 -1.565 1
1 140 . 8 1 1 A 22 22 MET CA C 22 61.053 58.698 2.355 1
1 141 . 8 1 1 A 22 22 MET CB C 22 31.655 32.010 -0.355 1
1 144 . 8 1 1 A 22 22 MET N N 22 121.373 118.159 3.214 1
1 145 . 8 1 1 A 23 23 LYS H H 23 8.663 8.234 0.429 1
1 146 . 8 1 1 A 23 23 LYS HA H 23 4.037 4.277 -0.240 1
1 155 . 8 1 1 A 23 23 LYS C C 23 180.183 179.202 0.981 1
1 156 . 8 1 1 A 23 23 LYS CA C 23 60.743 60.256 0.487 1
1 157 . 8 1 1 A 23 23 LYS CB C 23 32.386 32.679 -0.293 1
1 161 . 8 1 1 A 23 23 LYS N N 23 117.749 120.302 -2.553 1
1 162 . 8 1 1 A 24 24 SER H H 24 8.182 7.624 0.558 1
1 163 . 8 1 1 A 24 24 SER HA H 24 4.291 4.255 0.036 1
1 166 . 8 1 1 A 24 24 SER C C 24 176.298 176.655 -0.357 1
1 167 . 8 1 1 A 24 24 SER CA C 24 61.850 61.607 0.243 1
1 168 . 8 1 1 A 24 24 SER CB C 24 62.661 63.240 -0.579 1
1 169 . 8 1 1 A 24 24 SER N N 24 115.784 114.719 1.065 1
1 170 . 8 1 1 A 25 25 TYR H H 25 7.860 8.047 -0.187 1
1 171 . 8 1 1 A 25 25 TYR HA H 25 4.168 4.404 -0.236 1
1 178 . 8 1 1 A 25 25 TYR C C 25 177.731 177.790 -0.059 1
1 179 . 8 1 1 A 25 25 TYR CA C 25 62.168 61.836 0.332 1
1 180 . 8 1 1 A 25 25 TYR CB C 25 38.810 38.622 0.188 1
1 185 . 8 1 1 A 25 25 TYR N N 25 122.606 122.725 -0.119 1
1 186 . 8 1 1 A 26 26 PHE H H 26 9.057 8.972 0.085 1
1 187 . 8 1 1 A 26 26 PHE HA H 26 4.587 4.449 0.138 1
1 195 . 8 1 1 A 26 26 PHE C C 26 174.987 177.958 -2.971 1
1 196 . 8 1 1 A 26 26 PHE CA C 26 61.043 61.791 -0.748 1
1 197 . 8 1 1 A 26 26 PHE CB C 26 39.600 39.377 0.223 1
1 203 . 8 1 1 A 26 26 PHE N N 26 121.419 121.349 0.070 1
1 204 . 8 1 1 A 27 27 ALA H H 27 7.459 7.814 -0.355 1
1 205 . 8 1 1 A 27 27 ALA HA H 27 4.051 3.726 0.325 1
1 209 . 8 1 1 A 27 27 ALA C C 27 178.775 179.871 -1.096 1
1 210 . 8 1 1 A 27 27 ALA CA C 27 54.233 54.820 -0.587 1
1 211 . 8 1 1 A 27 27 ALA CB C 27 18.405 18.171 0.234 1
1 212 . 8 1 1 A 27 27 ALA N N 27 114.718 121.071 -6.353 1
1 213 . 8 1 1 A 28 28 ILE H H 28 7.405 7.370 0.035 1
1 214 . 8 1 1 A 28 28 ILE HA H 28 3.985 3.789 0.196 1
1 224 . 8 1 1 A 28 28 ILE C C 28 176.055 175.915 0.140 1
1 225 . 8 1 1 A 28 28 ILE CA C 28 61.603 64.087 -2.484 1
1 226 . 8 1 1 A 28 28 ILE CB C 28 39.090 37.909 1.181 1
1 230 . 8 1 1 A 28 28 ILE N N 28 115.025 115.723 -0.698 1
1 231 . 8 1 1 A 29 29 ASN H H 29 8.087 7.873 0.214 1
1 232 . 8 1 1 A 29 29 ASN HA H 29 4.511 5.000 -0.489 1
1 237 . 8 1 1 A 29 29 ASN C C 29 172.947 174.859 -1.912 1
1 238 . 8 1 1 A 29 29 ASN CA C 29 52.594 52.299 0.295 1
1 239 . 8 1 1 A 29 29 ASN CB C 29 39.402 41.014 -1.612 1
1 240 . 8 1 1 A 29 29 ASN N N 29 119.219 116.293 2.926 1
1 242 . 8 1 1 A 30 30 HIS H H 30 8.408 8.870 -0.462 1
1 243 . 8 1 1 A 30 30 HIS HA H 30 4.499 4.849 -0.350 1
1 247 . 8 1 1 A 30 30 HIS C C 30 175.472 175.437 0.035 1
1 248 . 8 1 1 A 30 30 HIS CA C 30 55.538 58.285 -2.747 1
1 249 . 8 1 1 A 30 30 HIS CB C 30 31.578 30.404 1.174 1
1 251 . 8 1 1 A 30 30 HIS N N 30 120.962 122.419 -1.457 1
1 252 . 8 1 1 A 31 31 ASN H H 31 7.931 8.115 -0.184 1
1 253 . 8 1 1 A 31 31 ASN HA H 31 5.099 5.076 0.023 1
1 258 . 8 1 1 A 31 31 ASN C C 31 170.762 172.569 -1.807 1
1 259 . 8 1 1 A 31 31 ASN CA C 31 51.130 50.709 0.421 1
1 260 . 8 1 1 A 31 31 ASN CB C 31 40.625 39.410 1.215 1
1 261 . 8 1 1 A 31 31 ASN N N 31 114.800 116.712 -1.912 1
1 263 . 8 1 1 A 32 32 PRO HA H 32 4.565 4.564 0.001 1
1 270 . 8 1 1 A 32 32 PRO C C 32 176.832 176.312 0.520 1
1 271 . 8 1 1 A 32 32 PRO CA C 32 63.120 62.609 0.511 1
1 272 . 8 1 1 A 32 32 PRO CB C 32 31.715 31.918 -0.203 1
1 275 . 8 1 1 A 33 33 ASP H H 33 8.758 8.661 0.097 1
1 276 . 8 1 1 A 33 33 ASP HA H 33 4.526 4.547 -0.021 1
1 279 . 8 1 1 A 33 33 ASP C C 33 175.667 177.364 -1.697 1
1 280 . 8 1 1 A 33 33 ASP CA C 33 51.908 53.931 -2.023 1
1 281 . 8 1 1 A 33 33 ASP CB C 33 41.113 42.337 -1.224 1
1 282 . 8 1 1 A 33 33 ASP N N 33 123.573 122.556 1.017 1
1 283 . 8 1 1 A 34 34 ALA H H 34 8.274 8.938 -0.664 1
1 284 . 8 1 1 A 34 34 ALA HA H 34 3.914 3.970 -0.056 1
1 288 . 8 1 1 A 34 34 ALA C C 34 180.742 179.745 0.997 1
1 289 . 8 1 1 A 34 34 ALA CA C 34 56.073 55.835 0.238 1
1 290 . 8 1 1 A 34 34 ALA CB C 34 18.510 17.982 0.528 1
1 291 . 8 1 1 A 34 34 ALA N N 34 119.222 126.898 -7.676 1
1 292 . 8 1 1 A 35 35 LYS H H 35 7.931 8.123 -0.192 1
1 293 . 8 1 1 A 35 35 LYS HA H 35 4.019 3.868 0.151 1
1 302 . 8 1 1 A 35 35 LYS C C 35 179.430 178.748 0.682 1
1 303 . 8 1 1 A 35 35 LYS CA C 35 59.485 59.848 -0.363 1
1 304 . 8 1 1 A 35 35 LYS CB C 35 31.535 32.208 -0.673 1
1 308 . 8 1 1 A 35 35 LYS N N 35 119.343 118.077 1.266 1
1 309 . 8 1 1 A 36 36 ASP H H 36 8.611 8.113 0.498 1
1 310 . 8 1 1 A 36 36 ASP HA H 36 4.408 4.468 -0.060 1
1 313 . 8 1 1 A 36 36 ASP C C 36 179.479 178.887 0.592 1
1 314 . 8 1 1 A 36 36 ASP CA C 36 57.090 57.193 -0.103 1
1 315 . 8 1 1 A 36 36 ASP CB C 36 39.930 40.497 -0.567 1
1 316 . 8 1 1 A 36 36 ASP N N 36 123.478 119.903 3.575 1
1 317 . 8 1 1 A 37 37 LEU H H 37 8.743 8.339 0.404 1
1 318 . 8 1 1 A 37 37 LEU HA H 37 3.805 3.787 0.018 1
1 328 . 8 1 1 A 37 37 LEU C C 37 178.799 178.854 -0.055 1
1 329 . 8 1 1 A 37 37 LEU CA C 37 58.148 57.881 0.267 1
1 330 . 8 1 1 A 37 37 LEU CB C 37 42.233 41.610 0.623 1
1 334 . 8 1 1 A 37 37 LEU N N 37 120.010 120.917 -0.907 1
1 335 . 8 1 1 A 38 38 LYS H H 38 7.756 8.238 -0.482 1
1 336 . 8 1 1 A 38 38 LYS HA H 38 3.956 4.001 -0.045 1
1 343 . 8 1 1 A 38 38 LYS C C 38 179.090 178.712 0.378 1
1 344 . 8 1 1 A 38 38 LYS CA C 38 59.950 59.150 0.800 1
1 345 . 8 1 1 A 38 38 LYS CB C 38 32.315 32.217 0.098 1
1 349 . 8 1 1 A 38 38 LYS N N 38 120.326 117.729 2.597 1
1 350 . 8 1 1 A 39 39 GLN H H 39 7.634 7.960 -0.326 1
1 351 . 8 1 1 A 39 39 GLN HA H 39 4.156 3.953 0.203 1
1 358 . 8 1 1 A 39 39 GLN C C 39 178.896 179.005 -0.109 1
1 359 . 8 1 1 A 39 39 GLN CA C 39 58.888 58.840 0.048 1
1 360 . 8 1 1 A 39 39 GLN CB C 39 28.441 28.080 0.361 1
1 362 . 8 1 1 A 39 39 GLN N N 39 119.272 119.222 0.050 1
1 364 . 8 1 1 A 40 40 LEU H H 40 8.541 7.905 0.636 1
1 365 . 8 1 1 A 40 40 LEU HA H 40 3.848 3.937 -0.089 1
1 375 . 8 1 1 A 40 40 LEU C C 40 180.256 178.580 1.676 1
1 376 . 8 1 1 A 40 40 LEU CA C 40 57.866 57.792 0.074 1
1 377 . 8 1 1 A 40 40 LEU CB C 40 43.074 41.600 1.474 1
1 381 . 8 1 1 A 40 40 LEU N N 40 120.555 120.131 0.424 1
1 382 . 8 1 1 A 41 41 ALA H H 41 8.633 8.186 0.447 1
1 383 . 8 1 1 A 41 41 ALA HA H 41 4.032 3.974 0.058 1
1 387 . 8 1 1 A 41 41 ALA C C 41 179.722 179.446 0.276 1
1 388 . 8 1 1 A 41 41 ALA CA C 41 55.923 55.045 0.878 1
1 389 . 8 1 1 A 41 41 ALA CB C 41 17.836 18.355 -0.519 1
1 390 . 8 1 1 A 41 41 ALA N N 41 127.288 120.296 6.992 1
1 391 . 8 1 1 A 42 42 GLN H H 42 7.698 7.280 0.418 1
1 392 . 8 1 1 A 42 42 GLN HA H 42 4.034 4.165 -0.131 1
1 399 . 8 1 1 A 42 42 GLN C C 42 178.848 178.047 0.801 1
1 400 . 8 1 1 A 42 42 GLN CA C 42 58.853 57.879 0.974 1
1 401 . 8 1 1 A 42 42 GLN CB C 42 28.276 29.030 -0.754 1
1 403 . 8 1 1 A 42 42 GLN N N 42 118.543 116.604 1.939 1
1 405 . 8 1 1 A 43 43 LYS H H 43 8.099 7.619 0.480 1
1 406 . 8 1 1 A 43 43 LYS HA H 43 4.172 4.071 0.101 1
1 415 . 8 1 1 A 43 43 LYS C C 43 178.581 178.083 0.498 1
1 416 . 8 1 1 A 43 43 LYS CA C 43 58.741 58.998 -0.257 1
1 417 . 8 1 1 A 43 43 LYS CB C 43 34.128 32.557 1.571 1
1 421 . 8 1 1 A 43 43 LYS N N 43 116.650 119.216 -2.566 1
1 422 . 8 1 1 A 44 44 THR H H 44 8.053 7.917 0.136 1
1 423 . 8 1 1 A 44 44 THR HA H 44 4.517 4.515 0.002 1
1 428 . 8 1 1 A 44 44 THR C C 44 176.104 175.925 0.179 1
1 429 . 8 1 1 A 44 44 THR CA C 44 63.114 62.250 0.864 1
1 430 . 8 1 1 A 44 44 THR CB C 44 72.379 71.393 0.986 1
1 432 . 8 1 1 A 44 44 THR N N 44 105.200 107.877 -2.677 1
1 433 . 8 1 1 A 45 45 GLY H H 45 8.327 8.073 0.254 1
1 434 . 8 1 1 A 45 45 GLY HA2 H 45 3.882 3.943 -0.061 1
1 435 . 8 1 1 A 45 45 GLY HA3 H 45 4.257 3.943 0.314 1
1 436 . 8 1 1 A 45 45 GLY C C 45 174.283 174.534 -0.251 1
1 437 . 8 1 1 A 45 45 GLY CA C 45 45.950 44.961 0.989 1
1 438 . 8 1 1 A 45 45 GLY N N 45 111.805 111.163 0.642 1
1 439 . 8 1 1 A 46 46 LEU H H 46 7.710 7.833 -0.123 1
1 440 . 8 1 1 A 46 46 LEU HA H 46 4.692 4.347 0.345 1
1 450 . 8 1 1 A 46 46 LEU C C 46 176.249 177.301 -1.052 1
1 451 . 8 1 1 A 46 46 LEU CA C 46 53.293 54.926 -1.633 1
1 452 . 8 1 1 A 46 46 LEU CB C 46 44.084 42.495 1.589 1
1 456 . 8 1 1 A 46 46 LEU N N 46 121.162 122.687 -1.525 1
1 457 . 8 1 1 A 47 47 THR H H 47 7.718 8.686 -0.968 1
1 458 . 8 1 1 A 47 47 THR HA H 47 4.379 4.681 -0.302 1
1 463 . 8 1 1 A 47 47 THR C C 47 175.594 175.621 -0.027 1
1 464 . 8 1 1 A 47 47 THR CA C 47 60.475 60.519 -0.044 1
1 465 . 8 1 1 A 47 47 THR CB C 47 71.045 71.310 -0.265 1
1 467 . 8 1 1 A 47 47 THR N N 47 107.953 114.011 -6.058 1
1 468 . 8 1 1 A 48 48 LYS H H 48 8.750 8.935 -0.185 1
1 469 . 8 1 1 A 48 48 LYS HA H 48 3.788 3.920 -0.132 1
1 478 . 8 1 1 A 48 48 LYS C C 48 178.119 178.133 -0.014 1
1 479 . 8 1 1 A 48 48 LYS CA C 48 60.816 60.105 0.711 1
1 480 . 8 1 1 A 48 48 LYS CB C 48 32.050 32.151 -0.101 1
1 484 . 8 1 1 A 48 48 LYS N N 48 120.566 122.759 -2.193 1
1 485 . 8 1 1 A 49 49 ARG H H 49 8.274 7.739 0.535 1
1 486 . 8 1 1 A 49 49 ARG HA H 49 4.214 4.132 0.082 1
1 492 . 8 1 1 A 49 49 ARG C C 49 178.216 178.592 -0.376 1
1 493 . 8 1 1 A 49 49 ARG CA C 49 59.170 58.744 0.426 1
1 494 . 8 1 1 A 49 49 ARG CB C 49 30.181 29.770 0.411 1
1 497 . 8 1 1 A 49 49 ARG N N 49 116.915 119.345 -2.430 1
1 498 . 8 1 1 A 50 50 VAL H H 50 7.310 7.693 -0.383 1
1 499 . 8 1 1 A 50 50 VAL HA H 50 3.730 3.713 0.017 1
1 507 . 8 1 1 A 50 50 VAL C C 50 179.406 178.638 0.768 1
1 508 . 8 1 1 A 50 50 VAL CA C 50 66.576 66.347 0.229 1
1 509 . 8 1 1 A 50 50 VAL CB C 50 31.655 31.688 -0.033 1
1 512 . 8 1 1 A 50 50 VAL N N 50 119.540 119.314 0.226 1
1 513 . 8 1 1 A 51 51 LEU H H 51 8.115 7.789 0.326 1
1 514 . 8 1 1 A 51 51 LEU HA H 51 4.133 3.963 0.170 1
1 524 . 8 1 1 A 51 51 LEU C C 51 178.726 179.036 -0.310 1
1 525 . 8 1 1 A 51 51 LEU CA C 51 58.465 58.336 0.129 1
1 526 . 8 1 1 A 51 51 LEU CB C 51 43.173 41.431 1.742 1
1 530 . 8 1 1 A 51 51 LEU N N 51 120.715 119.909 0.806 1
1 531 . 8 1 1 A 52 52 GLN H H 52 8.981 8.240 0.741 1
1 532 . 8 1 1 A 52 52 GLN HA H 52 4.131 4.059 0.072 1
1 539 . 8 1 1 A 52 52 GLN C C 52 179.600 178.660 0.940 1
1 540 . 8 1 1 A 52 52 GLN CA C 52 60.226 58.747 1.479 1
1 541 . 8 1 1 A 52 52 GLN CB C 52 29.018 28.658 0.360 1
1 543 . 8 1 1 A 52 52 GLN N N 52 118.651 116.764 1.887 1
1 545 . 8 1 1 A 53 53 VAL H H 53 8.057 8.210 -0.153 1
1 546 . 8 1 1 A 53 53 VAL HA H 53 3.723 3.708 0.015 1
1 554 . 8 1 1 A 53 53 VAL C C 53 177.755 178.359 -0.604 1
1 555 . 8 1 1 A 53 53 VAL CA C 53 66.646 66.746 -0.100 1
1 556 . 8 1 1 A 53 53 VAL CB C 53 32.196 31.759 0.437 1
1 559 . 8 1 1 A 53 53 VAL N N 53 120.778 119.957 0.821 1
1 560 . 8 1 1 A 54 54 TRP H H 54 8.377 8.140 0.237 1
1 561 . 8 1 1 A 54 54 TRP HA H 54 4.036 4.209 -0.173 1
1 570 . 8 1 1 A 54 54 TRP C C 54 180.110 178.044 2.066 1
1 571 . 8 1 1 A 54 54 TRP CA C 54 63.543 61.447 2.096 1
1 572 . 8 1 1 A 54 54 TRP CB C 54 28.771 29.837 -1.066 1
1 578 . 8 1 1 A 54 54 TRP N N 54 122.326 121.124 1.202 1
1 580 . 8 1 1 A 55 55 PHE H H 55 9.196 8.816 0.380 1
1 581 . 8 1 1 A 55 55 PHE HA H 55 3.808 3.991 -0.183 1
1 589 . 8 1 1 A 55 55 PHE C C 55 177.973 178.248 -0.275 1
1 590 . 8 1 1 A 55 55 PHE CA C 55 63.557 62.155 1.402 1
1 591 . 8 1 1 A 55 55 PHE CB C 55 39.139 38.722 0.417 1
1 597 . 8 1 1 A 55 55 PHE N N 55 118.085 117.933 0.152 1
1 598 . 8 1 1 A 56 56 GLN H H 56 8.289 8.471 -0.182 1
1 599 . 8 1 1 A 56 56 GLN HA H 56 3.992 3.948 0.044 1
1 606 . 8 1 1 A 56 56 GLN C C 56 179.212 178.688 0.524 1
1 607 . 8 1 1 A 56 56 GLN CA C 56 59.699 59.394 0.305 1
1 608 . 8 1 1 A 56 56 GLN CB C 56 28.236 28.469 -0.233 1
1 610 . 8 1 1 A 56 56 GLN N N 56 119.990 117.678 2.312 1
1 612 . 8 1 1 A 57 57 ASN H H 57 8.244 8.033 0.211 1
1 613 . 8 1 1 A 57 57 ASN HA H 57 4.341 4.465 -0.124 1
1 618 . 8 1 1 A 57 57 ASN C C 57 177.124 177.625 -0.501 1
1 619 . 8 1 1 A 57 57 ASN CA C 57 55.820 55.579 0.241 1
1 620 . 8 1 1 A 57 57 ASN CB C 57 38.025 38.104 -0.079 1
1 621 . 8 1 1 A 57 57 ASN N N 57 119.713 117.352 2.361 1
1 623 . 8 1 1 A 58 58 ALA H H 58 8.224 7.685 0.539 1
1 624 . 8 1 1 A 58 58 ALA HA H 58 3.323 3.535 -0.212 1
1 628 . 8 1 1 A 58 58 ALA C C 58 180.814 179.804 1.010 1
1 629 . 8 1 1 A 58 58 ALA CA C 58 54.712 54.935 -0.223 1
1 630 . 8 1 1 A 58 58 ALA CB C 58 16.697 17.947 -1.250 1
1 631 . 8 1 1 A 58 58 ALA N N 58 125.439 121.320 4.119 1
1 632 . 8 1 1 A 59 59 ARG H H 59 8.404 7.590 0.814 1
1 633 . 8 1 1 A 59 59 ARG HA H 59 4.009 4.223 -0.214 1
1 640 . 8 1 1 A 59 59 ARG C C 59 178.678 179.036 -0.358 1
1 641 . 8 1 1 A 59 59 ARG CA C 59 60.969 59.312 1.657 1
1 642 . 8 1 1 A 59 59 ARG CB C 59 31.491 29.936 1.555 1
1 645 . 8 1 1 A 59 59 ARG N N 59 118.829 117.783 1.046 1
1 646 . 8 1 1 A 60 60 ALA H H 60 7.711 8.019 -0.308 1
1 647 . 8 1 1 A 60 60 ALA HA H 60 4.162 4.066 0.096 1
1 651 . 8 1 1 A 60 60 ALA C C 60 180.086 179.555 0.531 1
1 652 . 8 1 1 A 60 60 ALA CA C 60 55.116 55.330 -0.214 1
1 653 . 8 1 1 A 60 60 ALA CB C 60 17.993 18.337 -0.344 1
1 654 . 8 1 1 A 60 60 ALA N N 60 122.099 122.495 -0.396 1
1 655 . 8 1 1 A 61 61 LYS H H 61 7.845 7.855 -0.010 1
1 656 . 8 1 1 A 61 61 LYS HA H 61 3.912 4.039 -0.127 1
1 665 . 8 1 1 A 61 61 LYS C C 61 177.876 178.723 -0.847 1
1 666 . 8 1 1 A 61 61 LYS CA C 61 58.699 58.900 -0.201 1
1 667 . 8 1 1 A 61 61 LYS CB C 61 32.412 31.926 0.486 1
1 671 . 8 1 1 A 61 61 LYS N N 61 118.453 116.900 1.553 1
1 672 . 8 1 1 A 62 62 PHE H H 62 7.986 8.119 -0.133 1
1 673 . 8 1 1 A 62 62 PHE HA H 62 4.249 4.259 -0.010 1
1 681 . 8 1 1 A 62 62 PHE C C 62 177.148 177.214 -0.066 1
1 682 . 8 1 1 A 62 62 PHE CA C 62 60.592 61.846 -1.254 1
1 683 . 8 1 1 A 62 62 PHE CB C 62 39.439 39.321 0.118 1
1 689 . 8 1 1 A 62 62 PHE N N 62 120.207 121.477 -1.270 1
1 690 . 8 1 1 A 63 63 ARG H H 63 8.034 7.851 0.183 1
1 691 . 8 1 1 A 63 63 ARG HA H 63 4.071 3.916 0.155 1
1 698 . 8 1 1 A 63 63 ARG C C 63 177.342 178.226 -0.884 1
1 699 . 8 1 1 A 63 63 ARG CA C 63 58.068 59.380 -1.312 1
1 700 . 8 1 1 A 63 63 ARG CB C 63 30.282 29.951 0.331 1
1 703 . 8 1 1 A 63 63 ARG N N 63 119.257 117.277 1.980 1
1 704 . 8 1 1 A 64 64 ARG H H 64 7.956 7.703 0.253 1
1 705 . 8 1 1 A 64 64 ARG HA H 64 4.096 4.060 0.036 1
1 712 . 8 1 1 A 64 64 ARG C C 64 177.366 178.402 -1.036 1
1 713 . 8 1 1 A 64 64 ARG CA C 64 57.971 58.613 -0.642 1
1 714 . 8 1 1 A 64 64 ARG CB C 64 30.419 29.886 0.533 1
1 717 . 8 1 1 A 64 64 ARG N N 64 119.492 120.616 -1.124 1
1 718 . 8 1 1 A 65 65 ASN H H 65 8.042 7.959 0.083 1
1 719 . 8 1 1 A 65 65 ASN HA H 65 4.537 4.326 0.211 1
1 724 . 8 1 1 A 65 65 ASN C C 65 176.152 177.871 -1.719 1
1 725 . 8 1 1 A 65 65 ASN CA C 65 54.348 56.469 -2.121 1
1 726 . 8 1 1 A 65 65 ASN CB C 65 38.466 38.036 0.430 1
1 727 . 8 1 1 A 65 65 ASN N N 65 117.555 118.318 -0.763 1
1 729 . 8 1 1 A 66 66 LEU H H 66 7.777 7.387 0.390 1
1 730 . 8 1 1 A 66 66 LEU HA H 66 4.140 3.997 0.143 1
1 740 . 8 1 1 A 66 66 LEU C C 66 177.779 179.737 -1.958 1
1 741 . 8 1 1 A 66 66 LEU CA C 66 56.138 57.194 -1.056 1
1 742 . 8 1 1 A 66 66 LEU CB C 66 42.160 41.240 0.920 1
1 746 . 8 1 1 A 66 66 LEU N N 66 121.103 120.041 1.062 1
1 747 . 8 1 1 A 67 67 LEU H H 67 7.861 7.629 0.232 1
1 748 . 8 1 1 A 67 67 LEU HA H 67 4.252 4.141 0.111 1
1 758 . 8 1 1 A 67 67 LEU C C 67 177.245 177.264 -0.019 1
1 759 . 8 1 1 A 67 67 LEU CA C 67 55.445 56.875 -1.430 1
1 760 . 8 1 1 A 67 67 LEU CB C 67 42.122 42.217 -0.095 1
1 764 . 8 1 1 A 67 67 LEU N N 67 120.121 119.347 0.774 1
1 765 . 8 1 1 A 68 68 ARG H H 68 7.963 7.864 0.099 1
1 766 . 8 1 1 A 68 68 ARG HA H 68 4.265 4.386 -0.121 1
1 773 . 8 1 1 A 68 68 ARG C C 68 175.934 176.170 -0.236 1
1 774 . 8 1 1 A 68 68 ARG CA C 68 56.208 56.086 0.122 1
1 775 . 8 1 1 A 68 68 ARG CB C 68 30.839 31.169 -0.330 1
1 778 . 8 1 1 A 68 68 ARG N N 68 120.189 117.957 2.232 1
1 779 . 8 1 1 A 69 69 GLN H H 69 8.303 8.466 -0.163 1
1 780 . 8 1 1 A 69 69 GLN HA H 69 4.320 4.526 -0.206 1
1 787 . 8 1 1 A 69 69 GLN C C 69 175.740 174.973 0.767 1
1 788 . 8 1 1 A 69 69 GLN CA C 69 55.891 54.765 1.126 1
1 789 . 8 1 1 A 69 69 GLN CB C 69 29.556 27.992 1.564 1
1 791 . 8 1 1 A 69 69 GLN N N 69 121.097 121.548 -0.451 1
1 793 . 8 1 1 A 70 70 GLU H H 70 8.391 7.708 0.683 1
1 794 . 8 1 1 A 70 70 GLU HA H 70 4.290 4.549 -0.259 1
1 799 . 8 1 1 A 70 70 GLU C C 70 175.254 175.378 -0.124 1
1 800 . 8 1 1 A 70 70 GLU CA C 70 56.490 56.395 0.095 1
1 801 . 8 1 1 A 70 70 GLU CB C 70 30.636 30.147 0.489 1
1 803 . 8 1 1 A 70 70 GLU N N 70 122.138 123.138 -1.000 1
1 804 . 8 1 1 A 71 71 ASN H H 71 8.095 8.749 -0.654 1
1 805 . 8 1 1 A 71 71 ASN HA H 71 4.462 4.900 -0.438 1
1 810 . 8 1 1 A 71 71 ASN C C 71 179.333 175.286 4.047 1
1 811 . 8 1 1 A 71 71 ASN CA C 71 55.009 53.093 1.916 1
1 812 . 8 1 1 A 71 71 ASN CB C 71 41.051 39.112 1.939 1
1 813 . 8 1 1 A 71 71 ASN N N 71 124.912 126.625 -1.713 1
1 815 . 8 1 1 A 72 72 GLY HA2 H 72 3.944 4.087 -0.143 1
1 816 . 8 1 1 A 72 72 GLY HA3 H 72 3.872 4.088 -0.216 1
1 817 . 8 1 1 A 72 72 GLY C C 72 175.060 174.372 0.688 1
1 818 . 8 1 1 A 72 72 GLY CA C 72 45.579 44.640 0.939 1
1 819 . 8 1 1 A 73 73 GLY H H 73 8.416 8.135 0.281 1
1 820 . 8 1 1 A 73 73 GLY HA2 H 73 3.947 4.099 -0.152 1
1 821 . 8 1 1 A 73 73 GLY HA3 H 73 3.947 4.101 -0.154 1
1 822 . 8 1 1 A 73 73 GLY C C 73 174.356 174.296 0.060 1
1 823 . 8 1 1 A 73 73 GLY CA C 73 45.280 46.176 -0.896 1
1 824 . 8 1 1 A 73 73 GLY N N 73 108.960 111.141 -2.181 1
1 825 . 8 1 1 A 74 74 VAL H H 74 8.059 8.054 0.005 1
1 826 . 8 1 1 A 74 74 VAL HA H 74 4.181 3.951 0.230 1
1 834 . 8 1 1 A 74 74 VAL C C 74 176.419 175.451 0.968 1
1 835 . 8 1 1 A 74 74 VAL CA C 74 62.309 63.812 -1.503 1
1 836 . 8 1 1 A 74 74 VAL CB C 74 32.843 32.159 0.684 1
1 839 . 8 1 1 A 74 74 VAL N N 74 118.980 123.459 -4.479 1
1 840 . 8 1 1 A 75 75 SER H H 75 8.430 8.231 0.199 1
1 841 . 8 1 1 A 75 75 SER HA H 75 4.493 4.727 -0.234 1
1 844 . 8 1 1 A 75 75 SER C C 75 174.525 173.508 1.017 1
1 845 . 8 1 1 A 75 75 SER CA C 75 58.349 56.355 1.994 1
1 846 . 8 1 1 A 75 75 SER CB C 75 63.880 65.471 -1.591 1
1 847 . 8 1 1 A 75 75 SER N N 75 119.288 113.176 6.112 1
1 848 . 8 1 1 A 76 76 GLY H H 76 8.206 8.313 -0.107 1
1 849 . 8 1 1 A 76 76 GLY C C 76 171.757 174.723 -2.966 1
1 850 . 8 1 1 A 76 76 GLY CA C 76 44.642 45.443 -0.801 1
1 851 . 8 1 1 A 76 76 GLY N N 76 110.769 107.993 2.776 1
1 852 . 8 1 1 A 79 79 SER HA H 79 4.474 4.914 -0.440 1
1 855 . 8 1 1 A 79 79 SER C C 79 173.918 173.553 0.365 1
1 856 . 8 1 1 A 79 79 SER CA C 79 58.430 56.592 1.838 1
1 857 . 8 1 1 A 79 79 SER CB C 79 64.045 65.865 -1.820 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.959 4.108 -0.149 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.959 4.109 -0.150 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.210 173.422 0.788 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.270 45.855 -0.585 1
1 5 . 9 1 1 A 8 8 LYS H H 8 7.993 8.426 -0.433 1
1 6 . 9 1 1 A 8 8 LYS C C 8 176.347 175.915 0.432 1
1 7 . 9 1 1 A 8 8 LYS CA C 8 62.168 56.827 5.341 1
1 8 . 9 1 1 A 8 8 LYS CB C 8 32.974 35.415 -2.441 1
1 9 . 9 1 1 A 8 8 LYS N N 8 118.865 123.468 -4.603 1
1 10 . 9 1 1 A 12 12 THR HA H 12 4.227 5.170 -0.943 1
1 15 . 9 1 1 A 12 12 THR CA C 12 61.902 60.657 1.245 1
1 16 . 9 1 1 A 12 12 THR CB C 12 69.926 70.556 -0.630 1
1 18 . 9 1 1 A 13 13 SER HA H 13 4.401 4.894 -0.493 1
1 21 . 9 1 1 A 13 13 SER C C 13 173.627 172.195 1.432 1
1 22 . 9 1 1 A 13 13 SER CA C 13 57.513 57.106 0.407 1
1 23 . 9 1 1 A 13 13 SER CB C 13 63.880 65.460 -1.580 1
1 24 . 9 1 1 A 14 14 PHE H H 14 8.197 9.001 -0.804 1
1 25 . 9 1 1 A 14 14 PHE HA H 14 4.701 4.911 -0.210 1
1 33 . 9 1 1 A 14 14 PHE C C 14 176.177 174.788 1.389 1
1 34 . 9 1 1 A 14 14 PHE CA C 14 57.539 56.306 1.233 1
1 35 . 9 1 1 A 14 14 PHE CB C 14 41.041 43.135 -2.094 1
1 41 . 9 1 1 A 14 14 PHE N N 14 121.084 122.264 -1.180 1
1 42 . 9 1 1 A 15 15 LYS H H 15 8.548 8.844 -0.296 1
1 43 . 9 1 1 A 15 15 LYS HA H 15 4.449 4.497 -0.048 1
1 51 . 9 1 1 A 15 15 LYS C C 15 178.532 178.030 0.502 1
1 52 . 9 1 1 A 15 15 LYS CA C 15 55.291 55.798 -0.507 1
1 53 . 9 1 1 A 15 15 LYS CB C 15 33.993 33.001 0.992 1
1 57 . 9 1 1 A 15 15 LYS N N 15 120.600 122.555 -1.955 1
1 58 . 9 1 1 A 16 16 HIS HA H 16 4.238 4.398 -0.160 1
1 62 . 9 1 1 A 16 16 HIS CA C 16 60.805 58.254 2.551 1
1 63 . 9 1 1 A 16 16 HIS CB C 16 30.416 29.029 1.387 1
1 65 . 9 1 1 A 17 17 HIS HA H 17 4.218 3.943 0.275 1
1 69 . 9 1 1 A 17 17 HIS C C 17 177.731 176.649 1.082 1
1 70 . 9 1 1 A 17 17 HIS CA C 17 58.994 58.911 0.083 1
1 71 . 9 1 1 A 17 17 HIS CB C 17 29.627 30.045 -0.418 1
1 73 . 9 1 1 A 18 18 GLN H H 18 6.563 8.247 -1.684 1
1 74 . 9 1 1 A 18 18 GLN HA H 18 3.747 3.796 -0.049 1
1 81 . 9 1 1 A 18 18 GLN C C 18 177.051 178.120 -1.069 1
1 82 . 9 1 1 A 18 18 GLN CA C 18 58.148 58.295 -0.147 1
1 83 . 9 1 1 A 18 18 GLN CB C 18 27.752 28.695 -0.943 1
1 85 . 9 1 1 A 18 18 GLN N N 18 119.371 117.480 1.891 1
1 87 . 9 1 1 A 19 19 LEU H H 19 7.532 8.014 -0.482 1
1 88 . 9 1 1 A 19 19 LEU HA H 19 3.570 3.626 -0.056 1
1 98 . 9 1 1 A 19 19 LEU C C 19 178.362 178.787 -0.425 1
1 99 . 9 1 1 A 19 19 LEU CA C 19 57.464 57.583 -0.119 1
1 100 . 9 1 1 A 19 19 LEU CB C 19 42.092 41.165 0.927 1
1 104 . 9 1 1 A 19 19 LEU N N 19 118.862 120.835 -1.973 1
1 105 . 9 1 1 A 20 20 ARG H H 20 8.168 7.790 0.378 1
1 106 . 9 1 1 A 20 20 ARG HA H 20 3.899 3.957 -0.058 1
1 113 . 9 1 1 A 20 20 ARG C C 20 179.358 178.452 0.906 1
1 114 . 9 1 1 A 20 20 ARG CA C 20 59.641 58.998 0.643 1
1 115 . 9 1 1 A 20 20 ARG CB C 20 29.869 29.951 -0.082 1
1 118 . 9 1 1 A 20 20 ARG N N 20 118.228 119.142 -0.914 1
1 119 . 9 1 1 A 21 21 THR H H 21 7.592 7.285 0.307 1
1 120 . 9 1 1 A 21 21 THR HA H 21 3.854 4.130 -0.276 1
1 125 . 9 1 1 A 21 21 THR C C 21 176.662 176.415 0.247 1
1 126 . 9 1 1 A 21 21 THR CA C 21 66.646 65.943 0.703 1
1 127 . 9 1 1 A 21 21 THR CB C 21 68.271 68.785 -0.514 1
1 129 . 9 1 1 A 21 21 THR N N 21 117.730 115.588 2.142 1
1 130 . 9 1 1 A 22 22 MET H H 22 7.910 8.359 -0.449 1
1 131 . 9 1 1 A 22 22 MET HA H 22 3.537 4.194 -0.657 1
1 139 . 9 1 1 A 22 22 MET C C 22 177.099 178.556 -1.457 1
1 140 . 9 1 1 A 22 22 MET CA C 22 61.053 58.552 2.501 1
1 141 . 9 1 1 A 22 22 MET CB C 22 31.655 32.563 -0.908 1
1 144 . 9 1 1 A 22 22 MET N N 22 121.373 118.418 2.955 1
1 145 . 9 1 1 A 23 23 LYS H H 23 8.663 8.144 0.519 1
1 146 . 9 1 1 A 23 23 LYS HA H 23 4.037 4.226 -0.189 1
1 155 . 9 1 1 A 23 23 LYS C C 23 180.183 179.510 0.673 1
1 156 . 9 1 1 A 23 23 LYS CA C 23 60.743 60.112 0.631 1
1 157 . 9 1 1 A 23 23 LYS CB C 23 32.386 32.585 -0.199 1
1 161 . 9 1 1 A 23 23 LYS N N 23 117.749 119.186 -1.437 1
1 162 . 9 1 1 A 24 24 SER H H 24 8.182 8.139 0.043 1
1 163 . 9 1 1 A 24 24 SER HA H 24 4.291 4.258 0.033 1
1 166 . 9 1 1 A 24 24 SER C C 24 176.298 176.111 0.187 1
1 167 . 9 1 1 A 24 24 SER CA C 24 61.850 62.657 -0.807 1
1 168 . 9 1 1 A 24 24 SER CB C 24 62.661 63.387 -0.726 1
1 169 . 9 1 1 A 24 24 SER N N 24 115.784 116.595 -0.811 1
1 170 . 9 1 1 A 25 25 TYR H H 25 7.860 7.976 -0.116 1
1 171 . 9 1 1 A 25 25 TYR HA H 25 4.168 4.368 -0.200 1
1 178 . 9 1 1 A 25 25 TYR C C 25 177.731 177.837 -0.106 1
1 179 . 9 1 1 A 25 25 TYR CA C 25 62.168 61.683 0.485 1
1 180 . 9 1 1 A 25 25 TYR CB C 25 38.810 38.600 0.210 1
1 185 . 9 1 1 A 25 25 TYR N N 25 122.606 123.371 -0.765 1
1 186 . 9 1 1 A 26 26 PHE H H 26 9.057 8.581 0.476 1
1 187 . 9 1 1 A 26 26 PHE HA H 26 4.587 4.447 0.140 1
1 195 . 9 1 1 A 26 26 PHE C C 26 174.987 177.789 -2.802 1
1 196 . 9 1 1 A 26 26 PHE CA C 26 61.043 61.596 -0.553 1
1 197 . 9 1 1 A 26 26 PHE CB C 26 39.600 39.485 0.115 1
1 203 . 9 1 1 A 26 26 PHE N N 26 121.419 121.032 0.387 1
1 204 . 9 1 1 A 27 27 ALA H H 27 7.459 8.130 -0.671 1
1 205 . 9 1 1 A 27 27 ALA HA H 27 4.051 3.973 0.078 1
1 209 . 9 1 1 A 27 27 ALA C C 27 178.775 180.030 -1.255 1
1 210 . 9 1 1 A 27 27 ALA CA C 27 54.233 54.544 -0.311 1
1 211 . 9 1 1 A 27 27 ALA CB C 27 18.405 18.802 -0.397 1
1 212 . 9 1 1 A 27 27 ALA N N 27 114.718 120.647 -5.929 1
1 213 . 9 1 1 A 28 28 ILE H H 28 7.405 7.643 -0.238 1
1 214 . 9 1 1 A 28 28 ILE HA H 28 3.985 3.881 0.104 1
1 224 . 9 1 1 A 28 28 ILE C C 28 176.055 176.160 -0.105 1
1 225 . 9 1 1 A 28 28 ILE CA C 28 61.603 63.306 -1.703 1
1 226 . 9 1 1 A 28 28 ILE CB C 28 39.090 38.444 0.646 1
1 230 . 9 1 1 A 28 28 ILE N N 28 115.025 116.030 -1.005 1
1 231 . 9 1 1 A 29 29 ASN H H 29 8.087 7.955 0.132 1
1 232 . 9 1 1 A 29 29 ASN HA H 29 4.511 5.009 -0.498 1
1 237 . 9 1 1 A 29 29 ASN C C 29 172.947 175.183 -2.236 1
1 238 . 9 1 1 A 29 29 ASN CA C 29 52.594 52.343 0.251 1
1 239 . 9 1 1 A 29 29 ASN CB C 29 39.402 40.757 -1.355 1
1 240 . 9 1 1 A 29 29 ASN N N 29 119.219 116.615 2.604 1
1 242 . 9 1 1 A 30 30 HIS H H 30 8.408 8.978 -0.570 1
1 243 . 9 1 1 A 30 30 HIS HA H 30 4.499 4.861 -0.362 1
1 247 . 9 1 1 A 30 30 HIS C C 30 175.472 175.904 -0.432 1
1 248 . 9 1 1 A 30 30 HIS CA C 30 55.538 58.505 -2.967 1
1 249 . 9 1 1 A 30 30 HIS CB C 30 31.578 30.430 1.148 1
1 251 . 9 1 1 A 30 30 HIS N N 30 120.962 122.645 -1.683 1
1 252 . 9 1 1 A 31 31 ASN H H 31 7.931 8.283 -0.352 1
1 253 . 9 1 1 A 31 31 ASN HA H 31 5.099 4.950 0.149 1
1 258 . 9 1 1 A 31 31 ASN C C 31 170.762 173.991 -3.229 1
1 259 . 9 1 1 A 31 31 ASN CA C 31 51.130 50.899 0.231 1
1 260 . 9 1 1 A 31 31 ASN CB C 31 40.625 38.347 2.278 1
1 261 . 9 1 1 A 31 31 ASN N N 31 114.800 112.876 1.924 1
1 263 . 9 1 1 A 32 32 PRO HA H 32 4.565 4.657 -0.092 1
1 270 . 9 1 1 A 32 32 PRO C C 32 176.832 175.738 1.094 1
1 271 . 9 1 1 A 32 32 PRO CA C 32 63.120 62.604 0.516 1
1 272 . 9 1 1 A 32 32 PRO CB C 32 31.715 32.359 -0.644 1
1 275 . 9 1 1 A 33 33 ASP H H 33 8.758 8.621 0.137 1
1 276 . 9 1 1 A 33 33 ASP HA H 33 4.526 5.035 -0.509 1
1 279 . 9 1 1 A 33 33 ASP C C 33 175.667 177.426 -1.759 1
1 280 . 9 1 1 A 33 33 ASP CA C 33 51.908 53.014 -1.106 1
1 281 . 9 1 1 A 33 33 ASP CB C 33 41.113 42.048 -0.935 1
1 282 . 9 1 1 A 33 33 ASP N N 33 123.573 120.913 2.660 1
1 283 . 9 1 1 A 34 34 ALA H H 34 8.274 8.936 -0.662 1
1 284 . 9 1 1 A 34 34 ALA HA H 34 3.914 3.932 -0.018 1
1 288 . 9 1 1 A 34 34 ALA C C 34 180.742 179.589 1.153 1
1 289 . 9 1 1 A 34 34 ALA CA C 34 56.073 55.827 0.246 1
1 290 . 9 1 1 A 34 34 ALA CB C 34 18.510 18.165 0.345 1
1 291 . 9 1 1 A 34 34 ALA N N 34 119.222 124.082 -4.860 1
1 292 . 9 1 1 A 35 35 LYS H H 35 7.931 8.185 -0.254 1
1 293 . 9 1 1 A 35 35 LYS HA H 35 4.019 3.863 0.156 1
1 302 . 9 1 1 A 35 35 LYS C C 35 179.430 178.285 1.145 1
1 303 . 9 1 1 A 35 35 LYS CA C 35 59.485 59.720 -0.235 1
1 304 . 9 1 1 A 35 35 LYS CB C 35 31.535 32.166 -0.631 1
1 308 . 9 1 1 A 35 35 LYS N N 35 119.343 117.882 1.461 1
1 309 . 9 1 1 A 36 36 ASP H H 36 8.611 8.073 0.538 1
1 310 . 9 1 1 A 36 36 ASP HA H 36 4.408 4.364 0.044 1
1 313 . 9 1 1 A 36 36 ASP C C 36 179.479 178.451 1.028 1
1 314 . 9 1 1 A 36 36 ASP CA C 36 57.090 57.186 -0.096 1
1 315 . 9 1 1 A 36 36 ASP CB C 36 39.930 40.970 -1.040 1
1 316 . 9 1 1 A 36 36 ASP N N 36 123.478 119.877 3.601 1
1 317 . 9 1 1 A 37 37 LEU H H 37 8.743 8.169 0.574 1
1 318 . 9 1 1 A 37 37 LEU HA H 37 3.805 3.749 0.056 1
1 328 . 9 1 1 A 37 37 LEU C C 37 178.799 178.796 0.003 1
1 329 . 9 1 1 A 37 37 LEU CA C 37 58.148 57.751 0.397 1
1 330 . 9 1 1 A 37 37 LEU CB C 37 42.233 41.691 0.542 1
1 334 . 9 1 1 A 37 37 LEU N N 37 120.010 119.813 0.197 1
1 335 . 9 1 1 A 38 38 LYS H H 38 7.756 8.342 -0.586 1
1 336 . 9 1 1 A 38 38 LYS HA H 38 3.956 4.034 -0.078 1
1 343 . 9 1 1 A 38 38 LYS C C 38 179.090 178.194 0.896 1
1 344 . 9 1 1 A 38 38 LYS CA C 38 59.950 59.093 0.857 1
1 345 . 9 1 1 A 38 38 LYS CB C 38 32.315 32.013 0.302 1
1 349 . 9 1 1 A 38 38 LYS N N 38 120.326 117.557 2.769 1
1 350 . 9 1 1 A 39 39 GLN H H 39 7.634 7.385 0.249 1
1 351 . 9 1 1 A 39 39 GLN HA H 39 4.156 4.055 0.101 1
1 358 . 9 1 1 A 39 39 GLN C C 39 178.896 178.813 0.083 1
1 359 . 9 1 1 A 39 39 GLN CA C 39 58.888 58.094 0.794 1
1 360 . 9 1 1 A 39 39 GLN CB C 39 28.441 28.397 0.044 1
1 362 . 9 1 1 A 39 39 GLN N N 39 119.272 118.921 0.351 1
1 364 . 9 1 1 A 40 40 LEU H H 40 8.541 8.162 0.379 1
1 365 . 9 1 1 A 40 40 LEU HA H 40 3.848 4.070 -0.222 1
1 375 . 9 1 1 A 40 40 LEU C C 40 180.256 179.400 0.856 1
1 376 . 9 1 1 A 40 40 LEU CA C 40 57.866 57.451 0.415 1
1 377 . 9 1 1 A 40 40 LEU CB C 40 43.074 41.090 1.984 1
1 381 . 9 1 1 A 40 40 LEU N N 40 120.555 120.273 0.282 1
1 382 . 9 1 1 A 41 41 ALA H H 41 8.633 8.334 0.299 1
1 383 . 9 1 1 A 41 41 ALA HA H 41 4.032 3.986 0.046 1
1 387 . 9 1 1 A 41 41 ALA C C 41 179.722 178.830 0.892 1
1 388 . 9 1 1 A 41 41 ALA CA C 41 55.923 54.461 1.462 1
1 389 . 9 1 1 A 41 41 ALA CB C 41 17.836 18.231 -0.395 1
1 390 . 9 1 1 A 41 41 ALA N N 41 127.288 122.336 4.952 1
1 391 . 9 1 1 A 42 42 GLN H H 42 7.698 7.698 0.000 1
1 392 . 9 1 1 A 42 42 GLN HA H 42 4.034 4.307 -0.273 1
1 399 . 9 1 1 A 42 42 GLN C C 42 178.848 178.024 0.824 1
1 400 . 9 1 1 A 42 42 GLN CA C 42 58.853 57.283 1.570 1
1 401 . 9 1 1 A 42 42 GLN CB C 42 28.276 29.727 -1.451 1
1 403 . 9 1 1 A 42 42 GLN N N 42 118.543 116.270 2.273 1
1 405 . 9 1 1 A 43 43 LYS H H 43 8.099 7.708 0.391 1
1 406 . 9 1 1 A 43 43 LYS HA H 43 4.172 4.068 0.104 1
1 415 . 9 1 1 A 43 43 LYS C C 43 178.581 177.886 0.695 1
1 416 . 9 1 1 A 43 43 LYS CA C 43 58.741 58.660 0.081 1
1 417 . 9 1 1 A 43 43 LYS CB C 43 34.128 32.102 2.026 1
1 421 . 9 1 1 A 43 43 LYS N N 43 116.650 119.019 -2.369 1
1 422 . 9 1 1 A 44 44 THR H H 44 8.053 7.518 0.535 1
1 423 . 9 1 1 A 44 44 THR HA H 44 4.517 4.531 -0.014 1
1 428 . 9 1 1 A 44 44 THR C C 44 176.104 175.858 0.246 1
1 429 . 9 1 1 A 44 44 THR CA C 44 63.114 62.343 0.771 1
1 430 . 9 1 1 A 44 44 THR CB C 44 72.379 71.378 1.001 1
1 432 . 9 1 1 A 44 44 THR N N 44 105.200 107.875 -2.675 1
1 433 . 9 1 1 A 45 45 GLY H H 45 8.327 7.939 0.388 1
1 434 . 9 1 1 A 45 45 GLY HA2 H 45 3.882 3.987 -0.105 1
1 435 . 9 1 1 A 45 45 GLY HA3 H 45 4.257 3.995 0.262 1
1 436 . 9 1 1 A 45 45 GLY C C 45 174.283 174.360 -0.077 1
1 437 . 9 1 1 A 45 45 GLY CA C 45 45.950 44.979 0.971 1
1 438 . 9 1 1 A 45 45 GLY N N 45 111.805 111.372 0.433 1
1 439 . 9 1 1 A 46 46 LEU H H 46 7.710 7.610 0.100 1
1 440 . 9 1 1 A 46 46 LEU HA H 46 4.692 4.470 0.222 1
1 450 . 9 1 1 A 46 46 LEU C C 46 176.249 176.029 0.220 1
1 451 . 9 1 1 A 46 46 LEU CA C 46 53.293 54.573 -1.280 1
1 452 . 9 1 1 A 46 46 LEU CB C 46 44.084 42.627 1.457 1
1 456 . 9 1 1 A 46 46 LEU N N 46 121.162 122.464 -1.302 1
1 457 . 9 1 1 A 47 47 THR H H 47 7.718 8.366 -0.648 1
1 458 . 9 1 1 A 47 47 THR HA H 47 4.379 4.696 -0.317 1
1 463 . 9 1 1 A 47 47 THR C C 47 175.594 175.164 0.430 1
1 464 . 9 1 1 A 47 47 THR CA C 47 60.475 60.065 0.410 1
1 465 . 9 1 1 A 47 47 THR CB C 47 71.045 70.885 0.160 1
1 467 . 9 1 1 A 47 47 THR N N 47 107.953 114.431 -6.478 1
1 468 . 9 1 1 A 48 48 LYS H H 48 8.750 8.984 -0.234 1
1 469 . 9 1 1 A 48 48 LYS HA H 48 3.788 3.925 -0.137 1
1 478 . 9 1 1 A 48 48 LYS C C 48 178.119 178.086 0.033 1
1 479 . 9 1 1 A 48 48 LYS CA C 48 60.816 60.204 0.612 1
1 480 . 9 1 1 A 48 48 LYS CB C 48 32.050 32.130 -0.080 1
1 484 . 9 1 1 A 48 48 LYS N N 48 120.566 127.007 -6.441 1
1 485 . 9 1 1 A 49 49 ARG H H 49 8.274 7.671 0.603 1
1 486 . 9 1 1 A 49 49 ARG HA H 49 4.214 4.126 0.088 1
1 492 . 9 1 1 A 49 49 ARG C C 49 178.216 178.556 -0.340 1
1 493 . 9 1 1 A 49 49 ARG CA C 49 59.170 59.239 -0.069 1
1 494 . 9 1 1 A 49 49 ARG CB C 49 30.181 30.116 0.065 1
1 497 . 9 1 1 A 49 49 ARG N N 49 116.915 119.582 -2.667 1
1 498 . 9 1 1 A 50 50 VAL H H 50 7.310 8.113 -0.803 1
1 499 . 9 1 1 A 50 50 VAL HA H 50 3.730 3.748 -0.018 1
1 507 . 9 1 1 A 50 50 VAL C C 50 179.406 178.570 0.836 1
1 508 . 9 1 1 A 50 50 VAL CA C 50 66.576 66.482 0.094 1
1 509 . 9 1 1 A 50 50 VAL CB C 50 31.655 31.711 -0.056 1
1 512 . 9 1 1 A 50 50 VAL N N 50 119.540 119.653 -0.113 1
1 513 . 9 1 1 A 51 51 LEU H H 51 8.115 8.206 -0.091 1
1 514 . 9 1 1 A 51 51 LEU HA H 51 4.133 4.007 0.126 1
1 524 . 9 1 1 A 51 51 LEU C C 51 178.726 179.348 -0.622 1
1 525 . 9 1 1 A 51 51 LEU CA C 51 58.465 58.199 0.266 1
1 526 . 9 1 1 A 51 51 LEU CB C 51 43.173 40.786 2.387 1
1 530 . 9 1 1 A 51 51 LEU N N 51 120.715 119.686 1.029 1
1 531 . 9 1 1 A 52 52 GLN H H 52 8.981 8.367 0.614 1
1 532 . 9 1 1 A 52 52 GLN HA H 52 4.131 4.120 0.011 1
1 539 . 9 1 1 A 52 52 GLN C C 52 179.600 178.561 1.039 1
1 540 . 9 1 1 A 52 52 GLN CA C 52 60.226 58.612 1.614 1
1 541 . 9 1 1 A 52 52 GLN CB C 52 29.018 28.406 0.612 1
1 543 . 9 1 1 A 52 52 GLN N N 52 118.651 118.431 0.220 1
1 545 . 9 1 1 A 53 53 VAL H H 53 8.057 8.301 -0.244 1
1 546 . 9 1 1 A 53 53 VAL HA H 53 3.723 3.930 -0.207 1
1 554 . 9 1 1 A 53 53 VAL C C 53 177.755 178.392 -0.637 1
1 555 . 9 1 1 A 53 53 VAL CA C 53 66.646 66.639 0.007 1
1 556 . 9 1 1 A 53 53 VAL CB C 53 32.196 31.785 0.411 1
1 559 . 9 1 1 A 53 53 VAL N N 53 120.778 120.213 0.565 1
1 560 . 9 1 1 A 54 54 TRP H H 54 8.377 8.077 0.300 1
1 561 . 9 1 1 A 54 54 TRP HA H 54 4.036 4.214 -0.178 1
1 570 . 9 1 1 A 54 54 TRP C C 54 180.110 177.994 2.116 1
1 571 . 9 1 1 A 54 54 TRP CA C 54 63.543 61.317 2.226 1
1 572 . 9 1 1 A 54 54 TRP CB C 54 28.771 29.875 -1.104 1
1 578 . 9 1 1 A 54 54 TRP N N 54 122.326 121.213 1.113 1
1 580 . 9 1 1 A 55 55 PHE H H 55 9.196 8.355 0.841 1
1 581 . 9 1 1 A 55 55 PHE HA H 55 3.808 4.057 -0.249 1
1 589 . 9 1 1 A 55 55 PHE C C 55 177.973 178.261 -0.288 1
1 590 . 9 1 1 A 55 55 PHE CA C 55 63.557 61.984 1.573 1
1 591 . 9 1 1 A 55 55 PHE CB C 55 39.139 38.590 0.549 1
1 597 . 9 1 1 A 55 55 PHE N N 55 118.085 117.795 0.290 1
1 598 . 9 1 1 A 56 56 GLN H H 56 8.289 8.536 -0.247 1
1 599 . 9 1 1 A 56 56 GLN HA H 56 3.992 3.944 0.048 1
1 606 . 9 1 1 A 56 56 GLN C C 56 179.212 178.884 0.328 1
1 607 . 9 1 1 A 56 56 GLN CA C 56 59.699 59.420 0.279 1
1 608 . 9 1 1 A 56 56 GLN CB C 56 28.236 28.328 -0.092 1
1 610 . 9 1 1 A 56 56 GLN N N 56 119.990 117.314 2.676 1
1 612 . 9 1 1 A 57 57 ASN H H 57 8.244 8.107 0.137 1
1 613 . 9 1 1 A 57 57 ASN HA H 57 4.341 4.377 -0.036 1
1 618 . 9 1 1 A 57 57 ASN C C 57 177.124 177.829 -0.705 1
1 619 . 9 1 1 A 57 57 ASN CA C 57 55.820 56.046 -0.226 1
1 620 . 9 1 1 A 57 57 ASN CB C 57 38.025 37.722 0.303 1
1 621 . 9 1 1 A 57 57 ASN N N 57 119.713 118.534 1.179 1
1 623 . 9 1 1 A 58 58 ALA H H 58 8.224 7.871 0.353 1
1 624 . 9 1 1 A 58 58 ALA HA H 58 3.323 3.621 -0.298 1
1 628 . 9 1 1 A 58 58 ALA C C 58 180.814 179.991 0.823 1
1 629 . 9 1 1 A 58 58 ALA CA C 58 54.712 54.973 -0.261 1
1 630 . 9 1 1 A 58 58 ALA CB C 58 16.697 17.295 -0.598 1
1 631 . 9 1 1 A 58 58 ALA N N 58 125.439 122.713 2.726 1
1 632 . 9 1 1 A 59 59 ARG H H 59 8.404 7.760 0.644 1
1 633 . 9 1 1 A 59 59 ARG HA H 59 4.009 4.231 -0.222 1
1 640 . 9 1 1 A 59 59 ARG C C 59 178.678 178.702 -0.024 1
1 641 . 9 1 1 A 59 59 ARG CA C 59 60.969 59.703 1.266 1
1 642 . 9 1 1 A 59 59 ARG CB C 59 31.491 30.052 1.439 1
1 645 . 9 1 1 A 59 59 ARG N N 59 118.829 117.680 1.149 1
1 646 . 9 1 1 A 60 60 ALA H H 60 7.711 7.685 0.026 1
1 647 . 9 1 1 A 60 60 ALA HA H 60 4.162 4.085 0.077 1
1 651 . 9 1 1 A 60 60 ALA C C 60 180.086 179.212 0.874 1
1 652 . 9 1 1 A 60 60 ALA CA C 60 55.116 55.237 -0.121 1
1 653 . 9 1 1 A 60 60 ALA CB C 60 17.993 18.288 -0.295 1
1 654 . 9 1 1 A 60 60 ALA N N 60 122.099 121.794 0.305 1
1 655 . 9 1 1 A 61 61 LYS H H 61 7.845 7.769 0.076 1
1 656 . 9 1 1 A 61 61 LYS HA H 61 3.912 4.058 -0.146 1
1 665 . 9 1 1 A 61 61 LYS C C 61 177.876 178.362 -0.486 1
1 666 . 9 1 1 A 61 61 LYS CA C 61 58.699 59.705 -1.006 1
1 667 . 9 1 1 A 61 61 LYS CB C 61 32.412 32.160 0.252 1
1 671 . 9 1 1 A 61 61 LYS N N 61 118.453 119.166 -0.713 1
1 672 . 9 1 1 A 62 62 PHE H H 62 7.986 8.376 -0.390 1
1 673 . 9 1 1 A 62 62 PHE HA H 62 4.249 4.262 -0.013 1
1 681 . 9 1 1 A 62 62 PHE C C 62 177.148 177.259 -0.111 1
1 682 . 9 1 1 A 62 62 PHE CA C 62 60.592 62.062 -1.470 1
1 683 . 9 1 1 A 62 62 PHE CB C 62 39.439 39.284 0.155 1
1 689 . 9 1 1 A 62 62 PHE N N 62 120.207 120.796 -0.589 1
1 690 . 9 1 1 A 63 63 ARG H H 63 8.034 8.110 -0.076 1
1 691 . 9 1 1 A 63 63 ARG HA H 63 4.071 3.901 0.170 1
1 698 . 9 1 1 A 63 63 ARG C C 63 177.342 178.852 -1.510 1
1 699 . 9 1 1 A 63 63 ARG CA C 63 58.068 59.187 -1.119 1
1 700 . 9 1 1 A 63 63 ARG CB C 63 30.282 30.075 0.207 1
1 703 . 9 1 1 A 63 63 ARG N N 63 119.257 117.678 1.579 1
1 704 . 9 1 1 A 64 64 ARG H H 64 7.956 7.721 0.235 1
1 705 . 9 1 1 A 64 64 ARG HA H 64 4.096 3.999 0.097 1
1 712 . 9 1 1 A 64 64 ARG C C 64 177.366 178.853 -1.487 1
1 713 . 9 1 1 A 64 64 ARG CA C 64 57.971 58.918 -0.947 1
1 714 . 9 1 1 A 64 64 ARG CB C 64 30.419 29.905 0.514 1
1 717 . 9 1 1 A 64 64 ARG N N 64 119.492 120.041 -0.549 1
1 718 . 9 1 1 A 65 65 ASN H H 65 8.042 7.813 0.229 1
1 719 . 9 1 1 A 65 65 ASN HA H 65 4.537 4.403 0.134 1
1 724 . 9 1 1 A 65 65 ASN C C 65 176.152 177.427 -1.275 1
1 725 . 9 1 1 A 65 65 ASN CA C 65 54.348 55.971 -1.623 1
1 726 . 9 1 1 A 65 65 ASN CB C 65 38.466 37.918 0.548 1
1 727 . 9 1 1 A 65 65 ASN N N 65 117.555 117.973 -0.418 1
1 729 . 9 1 1 A 66 66 LEU H H 66 7.777 7.349 0.428 1
1 730 . 9 1 1 A 66 66 LEU HA H 66 4.140 4.081 0.059 1
1 740 . 9 1 1 A 66 66 LEU C C 66 177.779 177.301 0.478 1
1 741 . 9 1 1 A 66 66 LEU CA C 66 56.138 56.176 -0.038 1
1 742 . 9 1 1 A 66 66 LEU CB C 66 42.160 41.791 0.369 1
1 746 . 9 1 1 A 66 66 LEU N N 66 121.103 119.477 1.626 1
1 747 . 9 1 1 A 67 67 LEU H H 67 7.861 7.628 0.233 1
1 748 . 9 1 1 A 67 67 LEU HA H 67 4.252 4.428 -0.176 1
1 758 . 9 1 1 A 67 67 LEU C C 67 177.245 176.185 1.060 1
1 759 . 9 1 1 A 67 67 LEU CA C 67 55.445 54.273 1.172 1
1 760 . 9 1 1 A 67 67 LEU CB C 67 42.122 41.699 0.423 1
1 764 . 9 1 1 A 67 67 LEU N N 67 120.121 117.313 2.808 1
1 765 . 9 1 1 A 68 68 ARG H H 68 7.963 7.801 0.162 1
1 766 . 9 1 1 A 68 68 ARG HA H 68 4.265 3.966 0.299 1
1 773 . 9 1 1 A 68 68 ARG C C 68 175.934 175.971 -0.037 1
1 774 . 9 1 1 A 68 68 ARG CA C 68 56.208 56.885 -0.677 1
1 775 . 9 1 1 A 68 68 ARG CB C 68 30.839 28.090 2.749 1
1 778 . 9 1 1 A 68 68 ARG N N 68 120.189 117.899 2.290 1
1 779 . 9 1 1 A 69 69 GLN H H 69 8.303 7.746 0.557 1
1 780 . 9 1 1 A 69 69 GLN HA H 69 4.320 4.202 0.118 1
1 787 . 9 1 1 A 69 69 GLN C C 69 175.740 175.984 -0.244 1
1 788 . 9 1 1 A 69 69 GLN CA C 69 55.891 56.172 -0.281 1
1 789 . 9 1 1 A 69 69 GLN CB C 69 29.556 29.880 -0.324 1
1 791 . 9 1 1 A 69 69 GLN N N 69 121.097 120.846 0.251 1
1 793 . 9 1 1 A 70 70 GLU H H 70 8.391 8.536 -0.145 1
1 794 . 9 1 1 A 70 70 GLU HA H 70 4.290 4.386 -0.096 1
1 799 . 9 1 1 A 70 70 GLU C C 70 175.254 175.393 -0.139 1
1 800 . 9 1 1 A 70 70 GLU CA C 70 56.490 55.986 0.504 1
1 801 . 9 1 1 A 70 70 GLU CB C 70 30.636 28.291 2.345 1
1 803 . 9 1 1 A 70 70 GLU N N 70 122.138 124.247 -2.109 1
1 804 . 9 1 1 A 71 71 ASN H H 71 8.095 8.151 -0.056 1
1 805 . 9 1 1 A 71 71 ASN HA H 71 4.462 5.560 -1.098 1
1 810 . 9 1 1 A 71 71 ASN C C 71 179.333 174.971 4.362 1
1 811 . 9 1 1 A 71 71 ASN CA C 71 55.009 51.625 3.384 1
1 812 . 9 1 1 A 71 71 ASN CB C 71 41.051 41.826 -0.775 1
1 813 . 9 1 1 A 71 71 ASN N N 71 124.912 120.953 3.959 1
1 815 . 9 1 1 A 72 72 GLY HA2 H 72 3.944 4.165 -0.221 1
1 816 . 9 1 1 A 72 72 GLY HA3 H 72 3.872 4.165 -0.293 1
1 817 . 9 1 1 A 72 72 GLY C C 72 175.060 173.118 1.942 1
1 818 . 9 1 1 A 72 72 GLY CA C 72 45.579 44.717 0.862 1
1 819 . 9 1 1 A 73 73 GLY H H 73 8.416 8.498 -0.082 1
1 820 . 9 1 1 A 73 73 GLY HA2 H 73 3.947 4.206 -0.259 1
1 821 . 9 1 1 A 73 73 GLY HA3 H 73 3.947 4.207 -0.260 1
1 822 . 9 1 1 A 73 73 GLY C C 73 174.356 173.721 0.635 1
1 823 . 9 1 1 A 73 73 GLY CA C 73 45.280 44.421 0.859 1
1 824 . 9 1 1 A 73 73 GLY N N 73 108.960 108.310 0.650 1
1 825 . 9 1 1 A 74 74 VAL H H 74 8.059 8.454 -0.395 1
1 826 . 9 1 1 A 74 74 VAL HA H 74 4.181 4.390 -0.209 1
1 834 . 9 1 1 A 74 74 VAL C C 74 176.419 176.299 0.120 1
1 835 . 9 1 1 A 74 74 VAL CA C 74 62.309 62.108 0.201 1
1 836 . 9 1 1 A 74 74 VAL CB C 74 32.843 33.846 -1.003 1
1 839 . 9 1 1 A 74 74 VAL N N 74 118.980 118.590 0.390 1
1 840 . 9 1 1 A 75 75 SER H H 75 8.430 7.650 0.780 1
1 841 . 9 1 1 A 75 75 SER HA H 75 4.493 4.420 0.073 1
1 844 . 9 1 1 A 75 75 SER C C 75 174.525 174.383 0.142 1
1 845 . 9 1 1 A 75 75 SER CA C 75 58.349 58.445 -0.096 1
1 846 . 9 1 1 A 75 75 SER CB C 75 63.880 63.503 0.377 1
1 847 . 9 1 1 A 75 75 SER N N 75 119.288 118.156 1.132 1
1 848 . 9 1 1 A 76 76 GLY H H 76 8.206 8.305 -0.099 1
1 849 . 9 1 1 A 76 76 GLY C C 76 171.757 174.079 -2.322 1
1 850 . 9 1 1 A 76 76 GLY CA C 76 44.642 45.678 -1.036 1
1 851 . 9 1 1 A 76 76 GLY N N 76 110.769 109.906 0.863 1
1 852 . 9 1 1 A 79 79 SER HA H 79 4.474 5.138 -0.664 1
1 855 . 9 1 1 A 79 79 SER C C 79 173.918 173.933 -0.015 1
1 856 . 9 1 1 A 79 79 SER CA C 79 58.430 57.413 1.017 1
1 857 . 9 1 1 A 79 79 SER CB C 79 64.045 64.587 -0.542 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.959 4.131 -0.172 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.959 4.131 -0.172 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.210 174.416 -0.206 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.270 45.740 -0.470 1
1 5 . 10 1 1 A 8 8 LYS H H 8 7.993 8.308 -0.315 1
1 6 . 10 1 1 A 8 8 LYS C C 8 176.347 176.251 0.096 1
1 7 . 10 1 1 A 8 8 LYS CA C 8 62.168 58.342 3.826 1
1 8 . 10 1 1 A 8 8 LYS CB C 8 32.974 32.119 0.855 1
1 9 . 10 1 1 A 8 8 LYS N N 8 118.865 121.734 -2.869 1
1 10 . 10 1 1 A 12 12 THR HA H 12 4.227 4.191 0.036 1
1 15 . 10 1 1 A 12 12 THR CA C 12 61.902 60.443 1.459 1
1 16 . 10 1 1 A 12 12 THR CB C 12 69.926 66.889 3.037 1
1 18 . 10 1 1 A 13 13 SER HA H 13 4.401 4.543 -0.142 1
1 21 . 10 1 1 A 13 13 SER C C 13 173.627 174.468 -0.841 1
1 22 . 10 1 1 A 13 13 SER CA C 13 57.513 57.778 -0.265 1
1 23 . 10 1 1 A 13 13 SER CB C 13 63.880 63.167 0.713 1
1 24 . 10 1 1 A 14 14 PHE H H 14 8.197 8.330 -0.133 1
1 25 . 10 1 1 A 14 14 PHE HA H 14 4.701 4.641 0.060 1
1 33 . 10 1 1 A 14 14 PHE C C 14 176.177 175.872 0.305 1
1 34 . 10 1 1 A 14 14 PHE CA C 14 57.539 58.383 -0.844 1
1 35 . 10 1 1 A 14 14 PHE CB C 14 41.041 39.651 1.390 1
1 41 . 10 1 1 A 14 14 PHE N N 14 121.084 126.031 -4.947 1
1 42 . 10 1 1 A 15 15 LYS H H 15 8.548 9.018 -0.470 1
1 43 . 10 1 1 A 15 15 LYS HA H 15 4.449 4.428 0.021 1
1 51 . 10 1 1 A 15 15 LYS C C 15 178.532 178.019 0.513 1
1 52 . 10 1 1 A 15 15 LYS CA C 15 55.291 55.663 -0.372 1
1 53 . 10 1 1 A 15 15 LYS CB C 15 33.993 33.096 0.897 1
1 57 . 10 1 1 A 15 15 LYS N N 15 120.600 121.515 -0.915 1
1 58 . 10 1 1 A 16 16 HIS HA H 16 4.238 4.361 -0.123 1
1 62 . 10 1 1 A 16 16 HIS CA C 16 60.805 58.727 2.078 1
1 63 . 10 1 1 A 16 16 HIS CB C 16 30.416 29.263 1.153 1
1 65 . 10 1 1 A 17 17 HIS HA H 17 4.218 4.234 -0.016 1
1 69 . 10 1 1 A 17 17 HIS C C 17 177.731 177.803 -0.072 1
1 70 . 10 1 1 A 17 17 HIS CA C 17 58.994 59.545 -0.551 1
1 71 . 10 1 1 A 17 17 HIS CB C 17 29.627 30.016 -0.389 1
1 73 . 10 1 1 A 18 18 GLN H H 18 6.563 8.046 -1.483 1
1 74 . 10 1 1 A 18 18 GLN HA H 18 3.747 3.994 -0.247 1
1 81 . 10 1 1 A 18 18 GLN C C 18 177.051 178.201 -1.150 1
1 82 . 10 1 1 A 18 18 GLN CA C 18 58.148 58.443 -0.295 1
1 83 . 10 1 1 A 18 18 GLN CB C 18 27.752 28.559 -0.807 1
1 85 . 10 1 1 A 18 18 GLN N N 18 119.371 116.859 2.512 1
1 87 . 10 1 1 A 19 19 LEU H H 19 7.532 7.731 -0.199 1
1 88 . 10 1 1 A 19 19 LEU HA H 19 3.570 3.628 -0.058 1
1 98 . 10 1 1 A 19 19 LEU C C 19 178.362 178.641 -0.279 1
1 99 . 10 1 1 A 19 19 LEU CA C 19 57.464 57.559 -0.095 1
1 100 . 10 1 1 A 19 19 LEU CB C 19 42.092 41.341 0.751 1
1 104 . 10 1 1 A 19 19 LEU N N 19 118.862 120.485 -1.623 1
1 105 . 10 1 1 A 20 20 ARG H H 20 8.168 7.757 0.411 1
1 106 . 10 1 1 A 20 20 ARG HA H 20 3.899 3.970 -0.071 1
1 113 . 10 1 1 A 20 20 ARG C C 20 179.358 178.501 0.857 1
1 114 . 10 1 1 A 20 20 ARG CA C 20 59.641 59.208 0.433 1
1 115 . 10 1 1 A 20 20 ARG CB C 20 29.869 30.066 -0.197 1
1 118 . 10 1 1 A 20 20 ARG N N 20 118.228 119.348 -1.120 1
1 119 . 10 1 1 A 21 21 THR H H 21 7.592 7.864 -0.272 1
1 120 . 10 1 1 A 21 21 THR HA H 21 3.854 3.932 -0.078 1
1 125 . 10 1 1 A 21 21 THR C C 21 176.662 177.068 -0.406 1
1 126 . 10 1 1 A 21 21 THR CA C 21 66.646 67.061 -0.415 1
1 127 . 10 1 1 A 21 21 THR CB C 21 68.271 68.305 -0.034 1
1 129 . 10 1 1 A 21 21 THR N N 21 117.730 116.563 1.167 1
1 130 . 10 1 1 A 22 22 MET H H 22 7.910 7.851 0.059 1
1 131 . 10 1 1 A 22 22 MET HA H 22 3.537 4.123 -0.586 1
1 139 . 10 1 1 A 22 22 MET C C 22 177.099 178.710 -1.611 1
1 140 . 10 1 1 A 22 22 MET CA C 22 61.053 58.836 2.217 1
1 141 . 10 1 1 A 22 22 MET CB C 22 31.655 32.207 -0.552 1
1 144 . 10 1 1 A 22 22 MET N N 22 121.373 118.167 3.206 1
1 145 . 10 1 1 A 23 23 LYS H H 23 8.663 8.259 0.404 1
1 146 . 10 1 1 A 23 23 LYS HA H 23 4.037 4.197 -0.160 1
1 155 . 10 1 1 A 23 23 LYS C C 23 180.183 179.173 1.010 1
1 156 . 10 1 1 A 23 23 LYS CA C 23 60.743 60.125 0.618 1
1 157 . 10 1 1 A 23 23 LYS CB C 23 32.386 32.482 -0.096 1
1 161 . 10 1 1 A 23 23 LYS N N 23 117.749 119.229 -1.480 1
1 162 . 10 1 1 A 24 24 SER H H 24 8.182 7.792 0.390 1
1 163 . 10 1 1 A 24 24 SER HA H 24 4.291 4.346 -0.055 1
1 166 . 10 1 1 A 24 24 SER C C 24 176.298 176.799 -0.501 1
1 167 . 10 1 1 A 24 24 SER CA C 24 61.850 61.100 0.750 1
1 168 . 10 1 1 A 24 24 SER CB C 24 62.661 63.168 -0.507 1
1 169 . 10 1 1 A 24 24 SER N N 24 115.784 114.389 1.395 1
1 170 . 10 1 1 A 25 25 TYR H H 25 7.860 7.880 -0.020 1
1 171 . 10 1 1 A 25 25 TYR HA H 25 4.168 4.348 -0.180 1
1 178 . 10 1 1 A 25 25 TYR C C 25 177.731 177.740 -0.009 1
1 179 . 10 1 1 A 25 25 TYR CA C 25 62.168 61.827 0.341 1
1 180 . 10 1 1 A 25 25 TYR CB C 25 38.810 38.632 0.178 1
1 185 . 10 1 1 A 25 25 TYR N N 25 122.606 122.902 -0.296 1
1 186 . 10 1 1 A 26 26 PHE H H 26 9.057 8.449 0.608 1
1 187 . 10 1 1 A 26 26 PHE HA H 26 4.587 4.399 0.188 1
1 195 . 10 1 1 A 26 26 PHE C C 26 174.987 177.916 -2.929 1
1 196 . 10 1 1 A 26 26 PHE CA C 26 61.043 61.711 -0.668 1
1 197 . 10 1 1 A 26 26 PHE CB C 26 39.600 39.464 0.136 1
1 203 . 10 1 1 A 26 26 PHE N N 26 121.419 121.074 0.345 1
1 204 . 10 1 1 A 27 27 ALA H H 27 7.459 7.768 -0.309 1
1 205 . 10 1 1 A 27 27 ALA HA H 27 4.051 3.931 0.120 1
1 209 . 10 1 1 A 27 27 ALA C C 27 178.775 179.950 -1.175 1
1 210 . 10 1 1 A 27 27 ALA CA C 27 54.233 54.958 -0.725 1
1 211 . 10 1 1 A 27 27 ALA CB C 27 18.405 18.255 0.150 1
1 212 . 10 1 1 A 27 27 ALA N N 27 114.718 121.016 -6.298 1
1 213 . 10 1 1 A 28 28 ILE H H 28 7.405 7.365 0.040 1
1 214 . 10 1 1 A 28 28 ILE HA H 28 3.985 3.752 0.233 1
1 224 . 10 1 1 A 28 28 ILE C C 28 176.055 175.639 0.416 1
1 225 . 10 1 1 A 28 28 ILE CA C 28 61.603 63.617 -2.014 1
1 226 . 10 1 1 A 28 28 ILE CB C 28 39.090 38.040 1.050 1
1 230 . 10 1 1 A 28 28 ILE N N 28 115.025 115.660 -0.635 1
1 231 . 10 1 1 A 29 29 ASN H H 29 8.087 7.841 0.246 1
1 232 . 10 1 1 A 29 29 ASN HA H 29 4.511 4.709 -0.198 1
1 237 . 10 1 1 A 29 29 ASN C C 29 172.947 174.004 -1.057 1
1 238 . 10 1 1 A 29 29 ASN CA C 29 52.594 51.777 0.817 1
1 239 . 10 1 1 A 29 29 ASN CB C 29 39.402 40.923 -1.521 1
1 240 . 10 1 1 A 29 29 ASN N N 29 119.219 116.326 2.893 1
1 242 . 10 1 1 A 30 30 HIS H H 30 8.408 8.267 0.141 1
1 243 . 10 1 1 A 30 30 HIS HA H 30 4.499 4.748 -0.249 1
1 247 . 10 1 1 A 30 30 HIS C C 30 175.472 175.746 -0.274 1
1 248 . 10 1 1 A 30 30 HIS CA C 30 55.538 57.474 -1.936 1
1 249 . 10 1 1 A 30 30 HIS CB C 30 31.578 30.949 0.629 1
1 251 . 10 1 1 A 30 30 HIS N N 30 120.962 121.523 -0.561 1
1 252 . 10 1 1 A 31 31 ASN H H 31 7.931 8.121 -0.190 1
1 253 . 10 1 1 A 31 31 ASN HA H 31 5.099 5.165 -0.066 1
1 258 . 10 1 1 A 31 31 ASN C C 31 170.762 172.541 -1.779 1
1 259 . 10 1 1 A 31 31 ASN CA C 31 51.130 50.759 0.371 1
1 260 . 10 1 1 A 31 31 ASN CB C 31 40.625 39.266 1.359 1
1 261 . 10 1 1 A 31 31 ASN N N 31 114.800 116.876 -2.076 1
1 263 . 10 1 1 A 32 32 PRO HA H 32 4.565 4.669 -0.104 1
1 270 . 10 1 1 A 32 32 PRO C C 32 176.832 175.813 1.019 1
1 271 . 10 1 1 A 32 32 PRO CA C 32 63.120 62.680 0.440 1
1 272 . 10 1 1 A 32 32 PRO CB C 32 31.715 32.407 -0.692 1
1 275 . 10 1 1 A 33 33 ASP H H 33 8.758 8.833 -0.075 1
1 276 . 10 1 1 A 33 33 ASP HA H 33 4.526 5.006 -0.480 1
1 279 . 10 1 1 A 33 33 ASP C C 33 175.667 177.542 -1.875 1
1 280 . 10 1 1 A 33 33 ASP CA C 33 51.908 52.983 -1.075 1
1 281 . 10 1 1 A 33 33 ASP CB C 33 41.113 41.862 -0.749 1
1 282 . 10 1 1 A 33 33 ASP N N 33 123.573 120.784 2.789 1
1 283 . 10 1 1 A 34 34 ALA H H 34 8.274 8.936 -0.662 1
1 284 . 10 1 1 A 34 34 ALA HA H 34 3.914 3.927 -0.013 1
1 288 . 10 1 1 A 34 34 ALA C C 34 180.742 179.617 1.125 1
1 289 . 10 1 1 A 34 34 ALA CA C 34 56.073 55.719 0.354 1
1 290 . 10 1 1 A 34 34 ALA CB C 34 18.510 18.257 0.253 1
1 291 . 10 1 1 A 34 34 ALA N N 34 119.222 124.044 -4.822 1
1 292 . 10 1 1 A 35 35 LYS H H 35 7.931 8.153 -0.222 1
1 293 . 10 1 1 A 35 35 LYS HA H 35 4.019 3.891 0.128 1
1 302 . 10 1 1 A 35 35 LYS C C 35 179.430 178.726 0.704 1
1 303 . 10 1 1 A 35 35 LYS CA C 35 59.485 59.843 -0.358 1
1 304 . 10 1 1 A 35 35 LYS CB C 35 31.535 32.267 -0.732 1
1 308 . 10 1 1 A 35 35 LYS N N 35 119.343 118.044 1.299 1
1 309 . 10 1 1 A 36 36 ASP H H 36 8.611 8.185 0.426 1
1 310 . 10 1 1 A 36 36 ASP HA H 36 4.408 4.478 -0.070 1
1 313 . 10 1 1 A 36 36 ASP C C 36 179.479 178.903 0.576 1
1 314 . 10 1 1 A 36 36 ASP CA C 36 57.090 57.203 -0.113 1
1 315 . 10 1 1 A 36 36 ASP CB C 36 39.930 40.532 -0.602 1
1 316 . 10 1 1 A 36 36 ASP N N 36 123.478 119.762 3.716 1
1 317 . 10 1 1 A 37 37 LEU H H 37 8.743 8.331 0.412 1
1 318 . 10 1 1 A 37 37 LEU HA H 37 3.805 3.687 0.118 1
1 328 . 10 1 1 A 37 37 LEU C C 37 178.799 178.803 -0.004 1
1 329 . 10 1 1 A 37 37 LEU CA C 37 58.148 57.808 0.340 1
1 330 . 10 1 1 A 37 37 LEU CB C 37 42.233 41.559 0.674 1
1 334 . 10 1 1 A 37 37 LEU N N 37 120.010 120.887 -0.877 1
1 335 . 10 1 1 A 38 38 LYS H H 38 7.756 8.337 -0.581 1
1 336 . 10 1 1 A 38 38 LYS HA H 38 3.956 3.984 -0.028 1
1 343 . 10 1 1 A 38 38 LYS C C 38 179.090 178.607 0.483 1
1 344 . 10 1 1 A 38 38 LYS CA C 38 59.950 59.106 0.844 1
1 345 . 10 1 1 A 38 38 LYS CB C 38 32.315 32.225 0.090 1
1 349 . 10 1 1 A 38 38 LYS N N 38 120.326 117.686 2.640 1
1 350 . 10 1 1 A 39 39 GLN H H 39 7.634 7.658 -0.024 1
1 351 . 10 1 1 A 39 39 GLN HA H 39 4.156 4.013 0.143 1
1 358 . 10 1 1 A 39 39 GLN C C 39 178.896 178.552 0.344 1
1 359 . 10 1 1 A 39 39 GLN CA C 39 58.888 58.625 0.263 1
1 360 . 10 1 1 A 39 39 GLN CB C 39 28.441 27.986 0.455 1
1 362 . 10 1 1 A 39 39 GLN N N 39 119.272 119.040 0.232 1
1 364 . 10 1 1 A 40 40 LEU H H 40 8.541 7.652 0.889 1
1 365 . 10 1 1 A 40 40 LEU HA H 40 3.848 4.075 -0.227 1
1 375 . 10 1 1 A 40 40 LEU C C 40 180.256 179.360 0.896 1
1 376 . 10 1 1 A 40 40 LEU CA C 40 57.866 56.845 1.021 1
1 377 . 10 1 1 A 40 40 LEU CB C 40 43.074 41.413 1.661 1
1 381 . 10 1 1 A 40 40 LEU N N 40 120.555 120.719 -0.164 1
1 382 . 10 1 1 A 41 41 ALA H H 41 8.633 7.965 0.668 1
1 383 . 10 1 1 A 41 41 ALA HA H 41 4.032 3.944 0.088 1
1 387 . 10 1 1 A 41 41 ALA C C 41 179.722 178.882 0.840 1
1 388 . 10 1 1 A 41 41 ALA CA C 41 55.923 54.541 1.382 1
1 389 . 10 1 1 A 41 41 ALA CB C 41 17.836 18.207 -0.371 1
1 390 . 10 1 1 A 41 41 ALA N N 41 127.288 122.645 4.643 1
1 391 . 10 1 1 A 42 42 GLN H H 42 7.698 7.651 0.047 1
1 392 . 10 1 1 A 42 42 GLN HA H 42 4.034 4.288 -0.254 1
1 399 . 10 1 1 A 42 42 GLN C C 42 178.848 178.032 0.816 1
1 400 . 10 1 1 A 42 42 GLN CA C 42 58.853 57.311 1.542 1
1 401 . 10 1 1 A 42 42 GLN CB C 42 28.276 29.625 -1.349 1
1 403 . 10 1 1 A 42 42 GLN N N 42 118.543 116.363 2.180 1
1 405 . 10 1 1 A 43 43 LYS H H 43 8.099 7.599 0.500 1
1 406 . 10 1 1 A 43 43 LYS HA H 43 4.172 4.091 0.081 1
1 415 . 10 1 1 A 43 43 LYS C C 43 178.581 178.096 0.485 1
1 416 . 10 1 1 A 43 43 LYS CA C 43 58.741 58.786 -0.045 1
1 417 . 10 1 1 A 43 43 LYS CB C 43 34.128 32.301 1.827 1
1 421 . 10 1 1 A 43 43 LYS N N 43 116.650 119.175 -2.525 1
1 422 . 10 1 1 A 44 44 THR H H 44 8.053 7.574 0.479 1
1 423 . 10 1 1 A 44 44 THR HA H 44 4.517 4.524 -0.007 1
1 428 . 10 1 1 A 44 44 THR C C 44 176.104 176.004 0.100 1
1 429 . 10 1 1 A 44 44 THR CA C 44 63.114 62.274 0.840 1
1 430 . 10 1 1 A 44 44 THR CB C 44 72.379 71.456 0.923 1
1 432 . 10 1 1 A 44 44 THR N N 44 105.200 107.715 -2.515 1
1 433 . 10 1 1 A 45 45 GLY H H 45 8.327 8.184 0.143 1
1 434 . 10 1 1 A 45 45 GLY HA2 H 45 3.882 3.950 -0.068 1
1 435 . 10 1 1 A 45 45 GLY HA3 H 45 4.257 3.956 0.301 1
1 436 . 10 1 1 A 45 45 GLY C C 45 174.283 174.262 0.021 1
1 437 . 10 1 1 A 45 45 GLY CA C 45 45.950 44.999 0.951 1
1 438 . 10 1 1 A 45 45 GLY N N 45 111.805 111.161 0.644 1
1 439 . 10 1 1 A 46 46 LEU H H 46 7.710 7.516 0.194 1
1 440 . 10 1 1 A 46 46 LEU HA H 46 4.692 4.500 0.192 1
1 450 . 10 1 1 A 46 46 LEU C C 46 176.249 175.781 0.468 1
1 451 . 10 1 1 A 46 46 LEU CA C 46 53.293 54.456 -1.163 1
1 452 . 10 1 1 A 46 46 LEU CB C 46 44.084 42.689 1.395 1
1 456 . 10 1 1 A 46 46 LEU N N 46 121.162 122.307 -1.145 1
1 457 . 10 1 1 A 47 47 THR H H 47 7.718 8.222 -0.504 1
1 458 . 10 1 1 A 47 47 THR HA H 47 4.379 4.762 -0.383 1
1 463 . 10 1 1 A 47 47 THR C C 47 175.594 174.980 0.614 1
1 464 . 10 1 1 A 47 47 THR CA C 47 60.475 59.742 0.733 1
1 465 . 10 1 1 A 47 47 THR CB C 47 71.045 71.316 -0.271 1
1 467 . 10 1 1 A 47 47 THR N N 47 107.953 114.098 -6.145 1
1 468 . 10 1 1 A 48 48 LYS H H 48 8.750 8.982 -0.232 1
1 469 . 10 1 1 A 48 48 LYS HA H 48 3.788 3.867 -0.079 1
1 478 . 10 1 1 A 48 48 LYS C C 48 178.119 178.256 -0.137 1
1 479 . 10 1 1 A 48 48 LYS CA C 48 60.816 60.163 0.653 1
1 480 . 10 1 1 A 48 48 LYS CB C 48 32.050 32.338 -0.288 1
1 484 . 10 1 1 A 48 48 LYS N N 48 120.566 126.656 -6.090 1
1 485 . 10 1 1 A 49 49 ARG H H 49 8.274 7.748 0.526 1
1 486 . 10 1 1 A 49 49 ARG HA H 49 4.214 4.181 0.033 1
1 492 . 10 1 1 A 49 49 ARG C C 49 178.216 178.698 -0.482 1
1 493 . 10 1 1 A 49 49 ARG CA C 49 59.170 58.992 0.178 1
1 494 . 10 1 1 A 49 49 ARG CB C 49 30.181 30.243 -0.062 1
1 497 . 10 1 1 A 49 49 ARG N N 49 116.915 119.283 -2.368 1
1 498 . 10 1 1 A 50 50 VAL H H 50 7.310 8.095 -0.785 1
1 499 . 10 1 1 A 50 50 VAL HA H 50 3.730 3.725 0.005 1
1 507 . 10 1 1 A 50 50 VAL C C 50 179.406 178.243 1.163 1
1 508 . 10 1 1 A 50 50 VAL CA C 50 66.576 66.719 -0.143 1
1 509 . 10 1 1 A 50 50 VAL CB C 50 31.655 31.558 0.097 1
1 512 . 10 1 1 A 50 50 VAL N N 50 119.540 119.563 -0.023 1
1 513 . 10 1 1 A 51 51 LEU H H 51 8.115 8.137 -0.022 1
1 514 . 10 1 1 A 51 51 LEU HA H 51 4.133 4.033 0.100 1
1 524 . 10 1 1 A 51 51 LEU C C 51 178.726 179.226 -0.500 1
1 525 . 10 1 1 A 51 51 LEU CA C 51 58.465 57.639 0.826 1
1 526 . 10 1 1 A 51 51 LEU CB C 51 43.173 41.146 2.027 1
1 530 . 10 1 1 A 51 51 LEU N N 51 120.715 119.273 1.442 1
1 531 . 10 1 1 A 52 52 GLN H H 52 8.981 8.510 0.471 1
1 532 . 10 1 1 A 52 52 GLN HA H 52 4.131 4.091 0.040 1
1 539 . 10 1 1 A 52 52 GLN C C 52 179.600 178.496 1.104 1
1 540 . 10 1 1 A 52 52 GLN CA C 52 60.226 58.627 1.599 1
1 541 . 10 1 1 A 52 52 GLN CB C 52 29.018 28.574 0.444 1
1 543 . 10 1 1 A 52 52 GLN N N 52 118.651 119.793 -1.142 1
1 545 . 10 1 1 A 53 53 VAL H H 53 8.057 8.350 -0.293 1
1 546 . 10 1 1 A 53 53 VAL HA H 53 3.723 3.753 -0.030 1
1 554 . 10 1 1 A 53 53 VAL C C 53 177.755 178.334 -0.579 1
1 555 . 10 1 1 A 53 53 VAL CA C 53 66.646 66.776 -0.130 1
1 556 . 10 1 1 A 53 53 VAL CB C 53 32.196 31.619 0.577 1
1 559 . 10 1 1 A 53 53 VAL N N 53 120.778 119.915 0.863 1
1 560 . 10 1 1 A 54 54 TRP H H 54 8.377 8.037 0.340 1
1 561 . 10 1 1 A 54 54 TRP HA H 54 4.036 4.260 -0.224 1
1 570 . 10 1 1 A 54 54 TRP C C 54 180.110 178.061 2.049 1
1 571 . 10 1 1 A 54 54 TRP CA C 54 63.543 61.166 2.377 1
1 572 . 10 1 1 A 54 54 TRP CB C 54 28.771 29.838 -1.067 1
1 578 . 10 1 1 A 54 54 TRP N N 54 122.326 121.341 0.985 1
1 580 . 10 1 1 A 55 55 PHE H H 55 9.196 8.369 0.827 1
1 581 . 10 1 1 A 55 55 PHE HA H 55 3.808 4.234 -0.426 1
1 589 . 10 1 1 A 55 55 PHE C C 55 177.973 178.346 -0.373 1
1 590 . 10 1 1 A 55 55 PHE CA C 55 63.557 62.217 1.340 1
1 591 . 10 1 1 A 55 55 PHE CB C 55 39.139 38.990 0.149 1
1 597 . 10 1 1 A 55 55 PHE N N 55 118.085 118.067 0.018 1
1 598 . 10 1 1 A 56 56 GLN H H 56 8.289 8.624 -0.335 1
1 599 . 10 1 1 A 56 56 GLN HA H 56 3.992 3.974 0.018 1
1 606 . 10 1 1 A 56 56 GLN C C 56 179.212 178.704 0.508 1
1 607 . 10 1 1 A 56 56 GLN CA C 56 59.699 59.343 0.356 1
1 608 . 10 1 1 A 56 56 GLN CB C 56 28.236 28.081 0.155 1
1 610 . 10 1 1 A 56 56 GLN N N 56 119.990 117.244 2.746 1
1 612 . 10 1 1 A 57 57 ASN H H 57 8.244 8.057 0.187 1
1 613 . 10 1 1 A 57 57 ASN HA H 57 4.341 4.454 -0.113 1
1 618 . 10 1 1 A 57 57 ASN C C 57 177.124 177.794 -0.670 1
1 619 . 10 1 1 A 57 57 ASN CA C 57 55.820 56.162 -0.342 1
1 620 . 10 1 1 A 57 57 ASN CB C 57 38.025 38.284 -0.259 1
1 621 . 10 1 1 A 57 57 ASN N N 57 119.713 117.794 1.919 1
1 623 . 10 1 1 A 58 58 ALA H H 58 8.224 7.987 0.237 1
1 624 . 10 1 1 A 58 58 ALA HA H 58 3.323 3.509 -0.186 1
1 628 . 10 1 1 A 58 58 ALA C C 58 180.814 179.503 1.311 1
1 629 . 10 1 1 A 58 58 ALA CA C 58 54.712 54.989 -0.277 1
1 630 . 10 1 1 A 58 58 ALA CB C 58 16.697 17.506 -0.809 1
1 631 . 10 1 1 A 58 58 ALA N N 58 125.439 122.633 2.806 1
1 632 . 10 1 1 A 59 59 ARG H H 59 8.404 7.888 0.516 1
1 633 . 10 1 1 A 59 59 ARG HA H 59 4.009 4.106 -0.097 1
1 640 . 10 1 1 A 59 59 ARG C C 59 178.678 178.585 0.093 1
1 641 . 10 1 1 A 59 59 ARG CA C 59 60.969 59.693 1.276 1
1 642 . 10 1 1 A 59 59 ARG CB C 59 31.491 30.184 1.307 1
1 645 . 10 1 1 A 59 59 ARG N N 59 118.829 117.702 1.127 1
1 646 . 10 1 1 A 60 60 ALA H H 60 7.711 8.179 -0.468 1
1 647 . 10 1 1 A 60 60 ALA HA H 60 4.162 4.037 0.125 1
1 651 . 10 1 1 A 60 60 ALA C C 60 180.086 179.072 1.014 1
1 652 . 10 1 1 A 60 60 ALA CA C 60 55.116 55.381 -0.265 1
1 653 . 10 1 1 A 60 60 ALA CB C 60 17.993 18.209 -0.216 1
1 654 . 10 1 1 A 60 60 ALA N N 60 122.099 121.641 0.458 1
1 655 . 10 1 1 A 61 61 LYS H H 61 7.845 7.554 0.291 1
1 656 . 10 1 1 A 61 61 LYS HA H 61 3.912 3.967 -0.055 1
1 665 . 10 1 1 A 61 61 LYS C C 61 177.876 178.417 -0.541 1
1 666 . 10 1 1 A 61 61 LYS CA C 61 58.699 59.532 -0.833 1
1 667 . 10 1 1 A 61 61 LYS CB C 61 32.412 32.339 0.073 1
1 671 . 10 1 1 A 61 61 LYS N N 61 118.453 118.872 -0.419 1
1 672 . 10 1 1 A 62 62 PHE H H 62 7.986 8.216 -0.230 1
1 673 . 10 1 1 A 62 62 PHE HA H 62 4.249 4.075 0.174 1
1 681 . 10 1 1 A 62 62 PHE C C 62 177.148 177.143 0.005 1
1 682 . 10 1 1 A 62 62 PHE CA C 62 60.592 61.987 -1.395 1
1 683 . 10 1 1 A 62 62 PHE CB C 62 39.439 39.287 0.152 1
1 689 . 10 1 1 A 62 62 PHE N N 62 120.207 120.700 -0.493 1
1 690 . 10 1 1 A 63 63 ARG H H 63 8.034 8.269 -0.235 1
1 691 . 10 1 1 A 63 63 ARG HA H 63 4.071 4.062 0.009 1
1 698 . 10 1 1 A 63 63 ARG C C 63 177.342 178.537 -1.195 1
1 699 . 10 1 1 A 63 63 ARG CA C 63 58.068 59.654 -1.586 1
1 700 . 10 1 1 A 63 63 ARG CB C 63 30.282 30.195 0.087 1
1 703 . 10 1 1 A 63 63 ARG N N 63 119.257 117.474 1.783 1
1 704 . 10 1 1 A 64 64 ARG H H 64 7.956 7.607 0.349 1
1 705 . 10 1 1 A 64 64 ARG HA H 64 4.096 3.992 0.104 1
1 712 . 10 1 1 A 64 64 ARG C C 64 177.366 178.160 -0.794 1
1 713 . 10 1 1 A 64 64 ARG CA C 64 57.971 59.253 -1.282 1
1 714 . 10 1 1 A 64 64 ARG CB C 64 30.419 30.086 0.333 1
1 717 . 10 1 1 A 64 64 ARG N N 64 119.492 119.821 -0.329 1
1 718 . 10 1 1 A 65 65 ASN H H 65 8.042 7.633 0.409 1
1 719 . 10 1 1 A 65 65 ASN HA H 65 4.537 4.334 0.203 1
1 724 . 10 1 1 A 65 65 ASN C C 65 176.152 177.956 -1.804 1
1 725 . 10 1 1 A 65 65 ASN CA C 65 54.348 56.138 -1.790 1
1 726 . 10 1 1 A 65 65 ASN CB C 65 38.466 38.532 -0.066 1
1 727 . 10 1 1 A 65 65 ASN N N 65 117.555 117.751 -0.196 1
1 729 . 10 1 1 A 66 66 LEU H H 66 7.777 7.698 0.079 1
1 730 . 10 1 1 A 66 66 LEU HA H 66 4.140 3.886 0.254 1
1 740 . 10 1 1 A 66 66 LEU C C 66 177.779 178.798 -1.019 1
1 741 . 10 1 1 A 66 66 LEU CA C 66 56.138 58.148 -2.010 1
1 742 . 10 1 1 A 66 66 LEU CB C 66 42.160 41.377 0.783 1
1 746 . 10 1 1 A 66 66 LEU N N 66 121.103 119.893 1.210 1
1 747 . 10 1 1 A 67 67 LEU H H 67 7.861 7.631 0.230 1
1 748 . 10 1 1 A 67 67 LEU HA H 67 4.252 4.183 0.069 1
1 758 . 10 1 1 A 67 67 LEU C C 67 177.245 176.303 0.942 1
1 759 . 10 1 1 A 67 67 LEU CA C 67 55.445 55.510 -0.065 1
1 760 . 10 1 1 A 67 67 LEU CB C 67 42.122 41.380 0.742 1
1 764 . 10 1 1 A 67 67 LEU N N 67 120.121 118.072 2.049 1
1 765 . 10 1 1 A 68 68 ARG H H 68 7.963 7.847 0.116 1
1 766 . 10 1 1 A 68 68 ARG HA H 68 4.265 3.947 0.318 1
1 773 . 10 1 1 A 68 68 ARG C C 68 175.934 175.877 0.057 1
1 774 . 10 1 1 A 68 68 ARG CA C 68 56.208 57.121 -0.913 1
1 775 . 10 1 1 A 68 68 ARG CB C 68 30.839 27.572 3.267 1
1 778 . 10 1 1 A 68 68 ARG N N 68 120.189 115.160 5.029 1
1 779 . 10 1 1 A 69 69 GLN H H 69 8.303 7.927 0.376 1
1 780 . 10 1 1 A 69 69 GLN HA H 69 4.320 4.244 0.076 1
1 787 . 10 1 1 A 69 69 GLN C C 69 175.740 175.570 0.170 1
1 788 . 10 1 1 A 69 69 GLN CA C 69 55.891 57.955 -2.064 1
1 789 . 10 1 1 A 69 69 GLN CB C 69 29.556 29.476 0.080 1
1 791 . 10 1 1 A 69 69 GLN N N 69 121.097 117.076 4.021 1
1 793 . 10 1 1 A 70 70 GLU H H 70 8.391 7.743 0.648 1
1 794 . 10 1 1 A 70 70 GLU HA H 70 4.290 4.598 -0.308 1
1 799 . 10 1 1 A 70 70 GLU C C 70 175.254 174.755 0.499 1
1 800 . 10 1 1 A 70 70 GLU CA C 70 56.490 54.972 1.518 1
1 801 . 10 1 1 A 70 70 GLU CB C 70 30.636 31.979 -1.343 1
1 803 . 10 1 1 A 70 70 GLU N N 70 122.138 118.560 3.578 1
1 804 . 10 1 1 A 71 71 ASN H H 71 8.095 8.450 -0.355 1
1 805 . 10 1 1 A 71 71 ASN HA H 71 4.462 5.426 -0.964 1
1 810 . 10 1 1 A 71 71 ASN C C 71 179.333 175.058 4.275 1
1 811 . 10 1 1 A 71 71 ASN CA C 71 55.009 51.704 3.305 1
1 812 . 10 1 1 A 71 71 ASN CB C 71 41.051 41.522 -0.471 1
1 813 . 10 1 1 A 71 71 ASN N N 71 124.912 120.192 4.720 1
1 815 . 10 1 1 A 72 72 GLY HA2 H 72 3.944 4.114 -0.170 1
1 816 . 10 1 1 A 72 72 GLY HA3 H 72 3.872 4.117 -0.245 1
1 817 . 10 1 1 A 72 72 GLY C C 72 175.060 173.859 1.201 1
1 818 . 10 1 1 A 72 72 GLY CA C 72 45.579 45.725 -0.146 1
1 819 . 10 1 1 A 73 73 GLY H H 73 8.416 8.205 0.211 1
1 820 . 10 1 1 A 73 73 GLY HA2 H 73 3.947 4.176 -0.229 1
1 821 . 10 1 1 A 73 73 GLY HA3 H 73 3.947 4.179 -0.232 1
1 822 . 10 1 1 A 73 73 GLY C C 73 174.356 172.242 2.114 1
1 823 . 10 1 1 A 73 73 GLY CA C 73 45.280 44.808 0.472 1
1 824 . 10 1 1 A 73 73 GLY N N 73 108.960 107.697 1.263 1
1 825 . 10 1 1 A 74 74 VAL H H 74 8.059 8.998 -0.939 1
1 826 . 10 1 1 A 74 74 VAL HA H 74 4.181 4.512 -0.331 1
1 834 . 10 1 1 A 74 74 VAL C C 74 176.419 174.719 1.700 1
1 835 . 10 1 1 A 74 74 VAL CA C 74 62.309 61.309 1.000 1
1 836 . 10 1 1 A 74 74 VAL CB C 74 32.843 31.909 0.934 1
1 839 . 10 1 1 A 74 74 VAL N N 74 118.980 126.488 -7.508 1
1 840 . 10 1 1 A 75 75 SER H H 75 8.430 8.582 -0.152 1
1 841 . 10 1 1 A 75 75 SER HA H 75 4.493 5.008 -0.515 1
1 844 . 10 1 1 A 75 75 SER C C 75 174.525 173.318 1.207 1
1 845 . 10 1 1 A 75 75 SER CA C 75 58.349 57.147 1.202 1
1 846 . 10 1 1 A 75 75 SER CB C 75 63.880 67.087 -3.207 1
1 847 . 10 1 1 A 75 75 SER N N 75 119.288 122.796 -3.508 1
1 848 . 10 1 1 A 76 76 GLY H H 76 8.206 8.455 -0.249 1
1 849 . 10 1 1 A 76 76 GLY C C 76 171.757 174.676 -2.919 1
1 850 . 10 1 1 A 76 76 GLY CA C 76 44.642 44.455 0.187 1
1 851 . 10 1 1 A 76 76 GLY N N 76 110.769 109.448 1.321 1
1 852 . 10 1 1 A 79 79 SER HA H 79 4.474 4.178 0.296 1
1 855 . 10 1 1 A 79 79 SER C C 79 173.918 175.297 -1.379 1
1 856 . 10 1 1 A 79 79 SER CA C 79 58.430 61.922 -3.492 1
1 857 . 10 1 1 A 79 79 SER CB C 79 64.045 63.228 0.817 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.959 4.018 -0.059 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.959 4.019 -0.060 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.210 172.927 1.283 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.270 44.433 0.837 1
1 5 . 11 1 1 A 8 8 LYS H H 8 7.993 8.849 -0.856 1
1 6 . 11 1 1 A 8 8 LYS C C 8 176.347 174.684 1.663 1
1 7 . 11 1 1 A 8 8 LYS CA C 8 62.168 55.131 7.037 1
1 8 . 11 1 1 A 8 8 LYS CB C 8 32.974 34.818 -1.844 1
1 9 . 11 1 1 A 8 8 LYS N N 8 118.865 117.536 1.329 1
1 10 . 11 1 1 A 12 12 THR HA H 12 4.227 4.748 -0.521 1
1 15 . 11 1 1 A 12 12 THR CA C 12 61.902 59.672 2.230 1
1 16 . 11 1 1 A 12 12 THR CB C 12 69.926 70.998 -1.072 1
1 18 . 11 1 1 A 13 13 SER HA H 13 4.401 4.818 -0.417 1
1 21 . 11 1 1 A 13 13 SER C C 13 173.627 173.367 0.260 1
1 22 . 11 1 1 A 13 13 SER CA C 13 57.513 57.718 -0.205 1
1 23 . 11 1 1 A 13 13 SER CB C 13 63.880 64.012 -0.132 1
1 24 . 11 1 1 A 14 14 PHE H H 14 8.197 8.607 -0.410 1
1 25 . 11 1 1 A 14 14 PHE HA H 14 4.701 4.664 0.037 1
1 33 . 11 1 1 A 14 14 PHE C C 14 176.177 175.804 0.373 1
1 34 . 11 1 1 A 14 14 PHE CA C 14 57.539 58.206 -0.667 1
1 35 . 11 1 1 A 14 14 PHE CB C 14 41.041 39.849 1.192 1
1 41 . 11 1 1 A 14 14 PHE N N 14 121.084 126.945 -5.861 1
1 42 . 11 1 1 A 15 15 LYS H H 15 8.548 9.128 -0.580 1
1 43 . 11 1 1 A 15 15 LYS HA H 15 4.449 4.349 0.100 1
1 51 . 11 1 1 A 15 15 LYS C C 15 178.532 178.043 0.489 1
1 52 . 11 1 1 A 15 15 LYS CA C 15 55.291 55.468 -0.177 1
1 53 . 11 1 1 A 15 15 LYS CB C 15 33.993 33.263 0.730 1
1 57 . 11 1 1 A 15 15 LYS N N 15 120.600 121.665 -1.065 1
1 58 . 11 1 1 A 16 16 HIS HA H 16 4.238 4.383 -0.145 1
1 62 . 11 1 1 A 16 16 HIS CA C 16 60.805 58.987 1.818 1
1 63 . 11 1 1 A 16 16 HIS CB C 16 30.416 29.493 0.923 1
1 65 . 11 1 1 A 17 17 HIS HA H 17 4.218 4.142 0.076 1
1 69 . 11 1 1 A 17 17 HIS C C 17 177.731 176.735 0.996 1
1 70 . 11 1 1 A 17 17 HIS CA C 17 58.994 59.519 -0.525 1
1 71 . 11 1 1 A 17 17 HIS CB C 17 29.627 30.065 -0.438 1
1 73 . 11 1 1 A 18 18 GLN H H 18 6.563 8.435 -1.872 1
1 74 . 11 1 1 A 18 18 GLN HA H 18 3.747 3.901 -0.154 1
1 81 . 11 1 1 A 18 18 GLN C C 18 177.051 178.198 -1.147 1
1 82 . 11 1 1 A 18 18 GLN CA C 18 58.148 58.366 -0.218 1
1 83 . 11 1 1 A 18 18 GLN CB C 18 27.752 28.610 -0.858 1
1 85 . 11 1 1 A 18 18 GLN N N 18 119.371 117.846 1.525 1
1 87 . 11 1 1 A 19 19 LEU H H 19 7.532 8.136 -0.604 1
1 88 . 11 1 1 A 19 19 LEU HA H 19 3.570 3.617 -0.047 1
1 98 . 11 1 1 A 19 19 LEU C C 19 178.362 178.632 -0.270 1
1 99 . 11 1 1 A 19 19 LEU CA C 19 57.464 57.673 -0.209 1
1 100 . 11 1 1 A 19 19 LEU CB C 19 42.092 41.387 0.705 1
1 104 . 11 1 1 A 19 19 LEU N N 19 118.862 120.752 -1.890 1
1 105 . 11 1 1 A 20 20 ARG H H 20 8.168 7.887 0.281 1
1 106 . 11 1 1 A 20 20 ARG HA H 20 3.899 3.926 -0.027 1
1 113 . 11 1 1 A 20 20 ARG C C 20 179.358 178.444 0.914 1
1 114 . 11 1 1 A 20 20 ARG CA C 20 59.641 59.208 0.433 1
1 115 . 11 1 1 A 20 20 ARG CB C 20 29.869 30.087 -0.218 1
1 118 . 11 1 1 A 20 20 ARG N N 20 118.228 119.826 -1.598 1
1 119 . 11 1 1 A 21 21 THR H H 21 7.592 7.615 -0.023 1
1 120 . 11 1 1 A 21 21 THR HA H 21 3.854 3.874 -0.020 1
1 125 . 11 1 1 A 21 21 THR C C 21 176.662 176.862 -0.200 1
1 126 . 11 1 1 A 21 21 THR CA C 21 66.646 66.972 -0.326 1
1 127 . 11 1 1 A 21 21 THR CB C 21 68.271 68.260 0.011 1
1 129 . 11 1 1 A 21 21 THR N N 21 117.730 116.475 1.255 1
1 130 . 11 1 1 A 22 22 MET H H 22 7.910 7.621 0.289 1
1 131 . 11 1 1 A 22 22 MET HA H 22 3.537 4.184 -0.647 1
1 139 . 11 1 1 A 22 22 MET C C 22 177.099 178.726 -1.627 1
1 140 . 11 1 1 A 22 22 MET CA C 22 61.053 58.775 2.278 1
1 141 . 11 1 1 A 22 22 MET CB C 22 31.655 32.247 -0.592 1
1 144 . 11 1 1 A 22 22 MET N N 22 121.373 118.214 3.159 1
1 145 . 11 1 1 A 23 23 LYS H H 23 8.663 8.135 0.528 1
1 146 . 11 1 1 A 23 23 LYS HA H 23 4.037 4.234 -0.197 1
1 155 . 11 1 1 A 23 23 LYS C C 23 180.183 179.009 1.174 1
1 156 . 11 1 1 A 23 23 LYS CA C 23 60.743 60.241 0.502 1
1 157 . 11 1 1 A 23 23 LYS CB C 23 32.386 32.719 -0.333 1
1 161 . 11 1 1 A 23 23 LYS N N 23 117.749 120.420 -2.671 1
1 162 . 11 1 1 A 24 24 SER H H 24 8.182 7.606 0.576 1
1 163 . 11 1 1 A 24 24 SER HA H 24 4.291 4.271 0.020 1
1 166 . 11 1 1 A 24 24 SER C C 24 176.298 176.478 -0.180 1
1 167 . 11 1 1 A 24 24 SER CA C 24 61.850 61.555 0.295 1
1 168 . 11 1 1 A 24 24 SER CB C 24 62.661 63.153 -0.492 1
1 169 . 11 1 1 A 24 24 SER N N 24 115.784 114.436 1.348 1
1 170 . 11 1 1 A 25 25 TYR H H 25 7.860 8.198 -0.338 1
1 171 . 11 1 1 A 25 25 TYR HA H 25 4.168 4.372 -0.204 1
1 178 . 11 1 1 A 25 25 TYR C C 25 177.731 177.531 0.200 1
1 179 . 11 1 1 A 25 25 TYR CA C 25 62.168 61.855 0.313 1
1 180 . 11 1 1 A 25 25 TYR CB C 25 38.810 38.416 0.394 1
1 185 . 11 1 1 A 25 25 TYR N N 25 122.606 123.182 -0.576 1
1 186 . 11 1 1 A 26 26 PHE H H 26 9.057 8.619 0.438 1
1 187 . 11 1 1 A 26 26 PHE HA H 26 4.587 4.415 0.172 1
1 195 . 11 1 1 A 26 26 PHE C C 26 174.987 177.977 -2.990 1
1 196 . 11 1 1 A 26 26 PHE CA C 26 61.043 61.849 -0.806 1
1 197 . 11 1 1 A 26 26 PHE CB C 26 39.600 39.403 0.197 1
1 203 . 11 1 1 A 26 26 PHE N N 26 121.419 121.117 0.302 1
1 204 . 11 1 1 A 27 27 ALA H H 27 7.459 7.992 -0.533 1
1 205 . 11 1 1 A 27 27 ALA HA H 27 4.051 3.898 0.153 1
1 209 . 11 1 1 A 27 27 ALA C C 27 178.775 179.929 -1.154 1
1 210 . 11 1 1 A 27 27 ALA CA C 27 54.233 54.821 -0.588 1
1 211 . 11 1 1 A 27 27 ALA CB C 27 18.405 18.076 0.329 1
1 212 . 11 1 1 A 27 27 ALA N N 27 114.718 121.366 -6.648 1
1 213 . 11 1 1 A 28 28 ILE H H 28 7.405 7.326 0.079 1
1 214 . 11 1 1 A 28 28 ILE HA H 28 3.985 3.741 0.244 1
1 224 . 11 1 1 A 28 28 ILE C C 28 176.055 175.697 0.358 1
1 225 . 11 1 1 A 28 28 ILE CA C 28 61.603 64.046 -2.443 1
1 226 . 11 1 1 A 28 28 ILE CB C 28 39.090 37.907 1.183 1
1 230 . 11 1 1 A 28 28 ILE N N 28 115.025 115.764 -0.739 1
1 231 . 11 1 1 A 29 29 ASN H H 29 8.087 7.966 0.121 1
1 232 . 11 1 1 A 29 29 ASN HA H 29 4.511 4.880 -0.369 1
1 237 . 11 1 1 A 29 29 ASN C C 29 172.947 174.133 -1.186 1
1 238 . 11 1 1 A 29 29 ASN CA C 29 52.594 52.026 0.568 1
1 239 . 11 1 1 A 29 29 ASN CB C 29 39.402 41.029 -1.627 1
1 240 . 11 1 1 A 29 29 ASN N N 29 119.219 116.191 3.028 1
1 242 . 11 1 1 A 30 30 HIS H H 30 8.408 8.482 -0.074 1
1 243 . 11 1 1 A 30 30 HIS HA H 30 4.499 4.699 -0.200 1
1 247 . 11 1 1 A 30 30 HIS C C 30 175.472 175.475 -0.003 1
1 248 . 11 1 1 A 30 30 HIS CA C 30 55.538 57.628 -2.090 1
1 249 . 11 1 1 A 30 30 HIS CB C 30 31.578 30.922 0.656 1
1 251 . 11 1 1 A 30 30 HIS N N 30 120.962 121.523 -0.561 1
1 252 . 11 1 1 A 31 31 ASN H H 31 7.931 8.148 -0.217 1
1 253 . 11 1 1 A 31 31 ASN HA H 31 5.099 5.184 -0.085 1
1 258 . 11 1 1 A 31 31 ASN C C 31 170.762 172.621 -1.859 1
1 259 . 11 1 1 A 31 31 ASN CA C 31 51.130 50.790 0.340 1
1 260 . 11 1 1 A 31 31 ASN CB C 31 40.625 39.275 1.350 1
1 261 . 11 1 1 A 31 31 ASN N N 31 114.800 117.338 -2.538 1
1 263 . 11 1 1 A 32 32 PRO HA H 32 4.565 4.837 -0.272 1
1 270 . 11 1 1 A 32 32 PRO C C 32 176.832 176.026 0.806 1
1 271 . 11 1 1 A 32 32 PRO CA C 32 63.120 62.634 0.486 1
1 272 . 11 1 1 A 32 32 PRO CB C 32 31.715 32.027 -0.312 1
1 275 . 11 1 1 A 33 33 ASP H H 33 8.758 8.999 -0.241 1
1 276 . 11 1 1 A 33 33 ASP HA H 33 4.526 4.993 -0.467 1
1 279 . 11 1 1 A 33 33 ASP C C 33 175.667 177.437 -1.770 1
1 280 . 11 1 1 A 33 33 ASP CA C 33 51.908 53.120 -1.212 1
1 281 . 11 1 1 A 33 33 ASP CB C 33 41.113 41.634 -0.521 1
1 282 . 11 1 1 A 33 33 ASP N N 33 123.573 121.406 2.167 1
1 283 . 11 1 1 A 34 34 ALA H H 34 8.274 8.949 -0.675 1
1 284 . 11 1 1 A 34 34 ALA HA H 34 3.914 3.928 -0.014 1
1 288 . 11 1 1 A 34 34 ALA C C 34 180.742 179.478 1.264 1
1 289 . 11 1 1 A 34 34 ALA CA C 34 56.073 55.775 0.298 1
1 290 . 11 1 1 A 34 34 ALA CB C 34 18.510 18.332 0.178 1
1 291 . 11 1 1 A 34 34 ALA N N 34 119.222 124.061 -4.839 1
1 292 . 11 1 1 A 35 35 LYS H H 35 7.931 8.302 -0.371 1
1 293 . 11 1 1 A 35 35 LYS HA H 35 4.019 3.907 0.112 1
1 302 . 11 1 1 A 35 35 LYS C C 35 179.430 178.678 0.752 1
1 303 . 11 1 1 A 35 35 LYS CA C 35 59.485 59.846 -0.361 1
1 304 . 11 1 1 A 35 35 LYS CB C 35 31.535 32.455 -0.920 1
1 308 . 11 1 1 A 35 35 LYS N N 35 119.343 118.087 1.256 1
1 309 . 11 1 1 A 36 36 ASP H H 36 8.611 7.972 0.639 1
1 310 . 11 1 1 A 36 36 ASP HA H 36 4.408 4.481 -0.073 1
1 313 . 11 1 1 A 36 36 ASP C C 36 179.479 178.842 0.637 1
1 314 . 11 1 1 A 36 36 ASP CA C 36 57.090 57.231 -0.141 1
1 315 . 11 1 1 A 36 36 ASP CB C 36 39.930 40.820 -0.890 1
1 316 . 11 1 1 A 36 36 ASP N N 36 123.478 119.575 3.903 1
1 317 . 11 1 1 A 37 37 LEU H H 37 8.743 8.301 0.442 1
1 318 . 11 1 1 A 37 37 LEU HA H 37 3.805 3.722 0.083 1
1 328 . 11 1 1 A 37 37 LEU C C 37 178.799 179.085 -0.286 1
1 329 . 11 1 1 A 37 37 LEU CA C 37 58.148 57.872 0.276 1
1 330 . 11 1 1 A 37 37 LEU CB C 37 42.233 41.556 0.677 1
1 334 . 11 1 1 A 37 37 LEU N N 37 120.010 120.974 -0.964 1
1 335 . 11 1 1 A 38 38 LYS H H 38 7.756 8.605 -0.849 1
1 336 . 11 1 1 A 38 38 LYS HA H 38 3.956 3.970 -0.014 1
1 343 . 11 1 1 A 38 38 LYS C C 38 179.090 178.379 0.711 1
1 344 . 11 1 1 A 38 38 LYS CA C 38 59.950 59.047 0.903 1
1 345 . 11 1 1 A 38 38 LYS CB C 38 32.315 31.907 0.408 1
1 349 . 11 1 1 A 38 38 LYS N N 38 120.326 118.020 2.306 1
1 350 . 11 1 1 A 39 39 GLN H H 39 7.634 7.851 -0.217 1
1 351 . 11 1 1 A 39 39 GLN HA H 39 4.156 4.041 0.115 1
1 358 . 11 1 1 A 39 39 GLN C C 39 178.896 179.343 -0.447 1
1 359 . 11 1 1 A 39 39 GLN CA C 39 58.888 58.617 0.271 1
1 360 . 11 1 1 A 39 39 GLN CB C 39 28.441 28.227 0.214 1
1 362 . 11 1 1 A 39 39 GLN N N 39 119.272 119.102 0.170 1
1 364 . 11 1 1 A 40 40 LEU H H 40 8.541 8.152 0.389 1
1 365 . 11 1 1 A 40 40 LEU HA H 40 3.848 4.076 -0.228 1
1 375 . 11 1 1 A 40 40 LEU C C 40 180.256 179.068 1.188 1
1 376 . 11 1 1 A 40 40 LEU CA C 40 57.866 57.700 0.166 1
1 377 . 11 1 1 A 40 40 LEU CB C 40 43.074 40.911 2.163 1
1 381 . 11 1 1 A 40 40 LEU N N 40 120.555 120.616 -0.061 1
1 382 . 11 1 1 A 41 41 ALA H H 41 8.633 8.084 0.549 1
1 383 . 11 1 1 A 41 41 ALA HA H 41 4.032 3.893 0.139 1
1 387 . 11 1 1 A 41 41 ALA C C 41 179.722 179.331 0.391 1
1 388 . 11 1 1 A 41 41 ALA CA C 41 55.923 54.762 1.161 1
1 389 . 11 1 1 A 41 41 ALA CB C 41 17.836 18.645 -0.809 1
1 390 . 11 1 1 A 41 41 ALA N N 41 127.288 120.512 6.776 1
1 391 . 11 1 1 A 42 42 GLN H H 42 7.698 7.661 0.037 1
1 392 . 11 1 1 A 42 42 GLN HA H 42 4.034 4.190 -0.156 1
1 399 . 11 1 1 A 42 42 GLN C C 42 178.848 178.132 0.716 1
1 400 . 11 1 1 A 42 42 GLN CA C 42 58.853 57.881 0.972 1
1 401 . 11 1 1 A 42 42 GLN CB C 42 28.276 29.084 -0.808 1
1 403 . 11 1 1 A 42 42 GLN N N 42 118.543 116.330 2.213 1
1 405 . 11 1 1 A 43 43 LYS H H 43 8.099 7.567 0.532 1
1 406 . 11 1 1 A 43 43 LYS HA H 43 4.172 4.101 0.071 1
1 415 . 11 1 1 A 43 43 LYS C C 43 178.581 178.133 0.448 1
1 416 . 11 1 1 A 43 43 LYS CA C 43 58.741 59.106 -0.365 1
1 417 . 11 1 1 A 43 43 LYS CB C 43 34.128 32.610 1.518 1
1 421 . 11 1 1 A 43 43 LYS N N 43 116.650 119.297 -2.647 1
1 422 . 11 1 1 A 44 44 THR H H 44 8.053 7.959 0.094 1
1 423 . 11 1 1 A 44 44 THR HA H 44 4.517 4.561 -0.044 1
1 428 . 11 1 1 A 44 44 THR C C 44 176.104 175.965 0.139 1
1 429 . 11 1 1 A 44 44 THR CA C 44 63.114 62.412 0.702 1
1 430 . 11 1 1 A 44 44 THR CB C 44 72.379 71.236 1.143 1
1 432 . 11 1 1 A 44 44 THR N N 44 105.200 108.240 -3.040 1
1 433 . 11 1 1 A 45 45 GLY H H 45 8.327 8.077 0.250 1
1 434 . 11 1 1 A 45 45 GLY HA2 H 45 3.882 3.963 -0.081 1
1 435 . 11 1 1 A 45 45 GLY HA3 H 45 4.257 3.971 0.286 1
1 436 . 11 1 1 A 45 45 GLY C C 45 174.283 174.474 -0.191 1
1 437 . 11 1 1 A 45 45 GLY CA C 45 45.950 44.982 0.968 1
1 438 . 11 1 1 A 45 45 GLY N N 45 111.805 111.199 0.606 1
1 439 . 11 1 1 A 46 46 LEU H H 46 7.710 7.552 0.158 1
1 440 . 11 1 1 A 46 46 LEU HA H 46 4.692 4.480 0.212 1
1 450 . 11 1 1 A 46 46 LEU C C 46 176.249 175.694 0.555 1
1 451 . 11 1 1 A 46 46 LEU CA C 46 53.293 54.595 -1.302 1
1 452 . 11 1 1 A 46 46 LEU CB C 46 44.084 42.603 1.481 1
1 456 . 11 1 1 A 46 46 LEU N N 46 121.162 122.354 -1.192 1
1 457 . 11 1 1 A 47 47 THR H H 47 7.718 8.239 -0.521 1
1 458 . 11 1 1 A 47 47 THR HA H 47 4.379 4.779 -0.400 1
1 463 . 11 1 1 A 47 47 THR C C 47 175.594 175.039 0.555 1
1 464 . 11 1 1 A 47 47 THR CA C 47 60.475 59.825 0.650 1
1 465 . 11 1 1 A 47 47 THR CB C 47 71.045 71.070 -0.025 1
1 467 . 11 1 1 A 47 47 THR N N 47 107.953 114.068 -6.115 1
1 468 . 11 1 1 A 48 48 LYS H H 48 8.750 8.986 -0.236 1
1 469 . 11 1 1 A 48 48 LYS HA H 48 3.788 3.916 -0.128 1
1 478 . 11 1 1 A 48 48 LYS C C 48 178.119 177.941 0.178 1
1 479 . 11 1 1 A 48 48 LYS CA C 48 60.816 60.164 0.652 1
1 480 . 11 1 1 A 48 48 LYS CB C 48 32.050 32.173 -0.123 1
1 484 . 11 1 1 A 48 48 LYS N N 48 120.566 127.010 -6.444 1
1 485 . 11 1 1 A 49 49 ARG H H 49 8.274 7.695 0.579 1
1 486 . 11 1 1 A 49 49 ARG HA H 49 4.214 4.108 0.106 1
1 492 . 11 1 1 A 49 49 ARG C C 49 178.216 178.675 -0.459 1
1 493 . 11 1 1 A 49 49 ARG CA C 49 59.170 58.925 0.245 1
1 494 . 11 1 1 A 49 49 ARG CB C 49 30.181 29.714 0.467 1
1 497 . 11 1 1 A 49 49 ARG N N 49 116.915 119.604 -2.689 1
1 498 . 11 1 1 A 50 50 VAL H H 50 7.310 7.970 -0.660 1
1 499 . 11 1 1 A 50 50 VAL HA H 50 3.730 3.729 0.001 1
1 507 . 11 1 1 A 50 50 VAL C C 50 179.406 178.301 1.105 1
1 508 . 11 1 1 A 50 50 VAL CA C 50 66.576 66.562 0.014 1
1 509 . 11 1 1 A 50 50 VAL CB C 50 31.655 31.691 -0.036 1
1 512 . 11 1 1 A 50 50 VAL N N 50 119.540 119.421 0.119 1
1 513 . 11 1 1 A 51 51 LEU H H 51 8.115 8.156 -0.041 1
1 514 . 11 1 1 A 51 51 LEU HA H 51 4.133 3.988 0.145 1
1 524 . 11 1 1 A 51 51 LEU C C 51 178.726 179.363 -0.637 1
1 525 . 11 1 1 A 51 51 LEU CA C 51 58.465 58.340 0.125 1
1 526 . 11 1 1 A 51 51 LEU CB C 51 43.173 41.238 1.935 1
1 530 . 11 1 1 A 51 51 LEU N N 51 120.715 118.609 2.106 1
1 531 . 11 1 1 A 52 52 GLN H H 52 8.981 8.310 0.671 1
1 532 . 11 1 1 A 52 52 GLN HA H 52 4.131 3.996 0.135 1
1 539 . 11 1 1 A 52 52 GLN C C 52 179.600 178.749 0.851 1
1 540 . 11 1 1 A 52 52 GLN CA C 52 60.226 58.753 1.473 1
1 541 . 11 1 1 A 52 52 GLN CB C 52 29.018 28.343 0.675 1
1 543 . 11 1 1 A 52 52 GLN N N 52 118.651 117.176 1.475 1
1 545 . 11 1 1 A 53 53 VAL H H 53 8.057 8.428 -0.371 1
1 546 . 11 1 1 A 53 53 VAL HA H 53 3.723 3.742 -0.019 1
1 554 . 11 1 1 A 53 53 VAL C C 53 177.755 178.345 -0.590 1
1 555 . 11 1 1 A 53 53 VAL CA C 53 66.646 66.850 -0.204 1
1 556 . 11 1 1 A 53 53 VAL CB C 53 32.196 31.671 0.525 1
1 559 . 11 1 1 A 53 53 VAL N N 53 120.778 120.126 0.652 1
1 560 . 11 1 1 A 54 54 TRP H H 54 8.377 8.459 -0.082 1
1 561 . 11 1 1 A 54 54 TRP HA H 54 4.036 4.231 -0.195 1
1 570 . 11 1 1 A 54 54 TRP C C 54 180.110 178.103 2.007 1
1 571 . 11 1 1 A 54 54 TRP CA C 54 63.543 61.179 2.364 1
1 572 . 11 1 1 A 54 54 TRP CB C 54 28.771 29.799 -1.028 1
1 578 . 11 1 1 A 54 54 TRP N N 54 122.326 121.236 1.090 1
1 580 . 11 1 1 A 55 55 PHE H H 55 9.196 8.721 0.475 1
1 581 . 11 1 1 A 55 55 PHE HA H 55 3.808 4.237 -0.429 1
1 589 . 11 1 1 A 55 55 PHE C C 55 177.973 178.263 -0.290 1
1 590 . 11 1 1 A 55 55 PHE CA C 55 63.557 61.855 1.702 1
1 591 . 11 1 1 A 55 55 PHE CB C 55 39.139 39.048 0.091 1
1 597 . 11 1 1 A 55 55 PHE N N 55 118.085 118.030 0.055 1
1 598 . 11 1 1 A 56 56 GLN H H 56 8.289 8.490 -0.201 1
1 599 . 11 1 1 A 56 56 GLN HA H 56 3.992 3.968 0.024 1
1 606 . 11 1 1 A 56 56 GLN C C 56 179.212 179.036 0.176 1
1 607 . 11 1 1 A 56 56 GLN CA C 56 59.699 59.299 0.400 1
1 608 . 11 1 1 A 56 56 GLN CB C 56 28.236 28.076 0.160 1
1 610 . 11 1 1 A 56 56 GLN N N 56 119.990 117.295 2.695 1
1 612 . 11 1 1 A 57 57 ASN H H 57 8.244 8.319 -0.075 1
1 613 . 11 1 1 A 57 57 ASN HA H 57 4.341 4.380 -0.039 1
1 618 . 11 1 1 A 57 57 ASN C C 57 177.124 177.987 -0.863 1
1 619 . 11 1 1 A 57 57 ASN CA C 57 55.820 56.239 -0.419 1
1 620 . 11 1 1 A 57 57 ASN CB C 57 38.025 37.745 0.280 1
1 621 . 11 1 1 A 57 57 ASN N N 57 119.713 117.967 1.746 1
1 623 . 11 1 1 A 58 58 ALA H H 58 8.224 7.972 0.252 1
1 624 . 11 1 1 A 58 58 ALA HA H 58 3.323 3.607 -0.284 1
1 628 . 11 1 1 A 58 58 ALA C C 58 180.814 180.082 0.732 1
1 629 . 11 1 1 A 58 58 ALA CA C 58 54.712 54.962 -0.250 1
1 630 . 11 1 1 A 58 58 ALA CB C 58 16.697 17.811 -1.114 1
1 631 . 11 1 1 A 58 58 ALA N N 58 125.439 122.820 2.619 1
1 632 . 11 1 1 A 59 59 ARG H H 59 8.404 7.696 0.708 1
1 633 . 11 1 1 A 59 59 ARG HA H 59 4.009 4.153 -0.144 1
1 640 . 11 1 1 A 59 59 ARG C C 59 178.678 179.158 -0.480 1
1 641 . 11 1 1 A 59 59 ARG CA C 59 60.969 59.701 1.268 1
1 642 . 11 1 1 A 59 59 ARG CB C 59 31.491 29.873 1.618 1
1 645 . 11 1 1 A 59 59 ARG N N 59 118.829 117.608 1.221 1
1 646 . 11 1 1 A 60 60 ALA H H 60 7.711 7.547 0.164 1
1 647 . 11 1 1 A 60 60 ALA HA H 60 4.162 4.079 0.083 1
1 651 . 11 1 1 A 60 60 ALA C C 60 180.086 179.579 0.507 1
1 652 . 11 1 1 A 60 60 ALA CA C 60 55.116 55.042 0.074 1
1 653 . 11 1 1 A 60 60 ALA CB C 60 17.993 18.294 -0.301 1
1 654 . 11 1 1 A 60 60 ALA N N 60 122.099 121.958 0.141 1
1 655 . 11 1 1 A 61 61 LYS H H 61 7.845 8.338 -0.493 1
1 656 . 11 1 1 A 61 61 LYS HA H 61 3.912 4.058 -0.146 1
1 665 . 11 1 1 A 61 61 LYS C C 61 177.876 178.721 -0.845 1
1 666 . 11 1 1 A 61 61 LYS CA C 61 58.699 60.025 -1.326 1
1 667 . 11 1 1 A 61 61 LYS CB C 61 32.412 32.190 0.222 1
1 671 . 11 1 1 A 61 61 LYS N N 61 118.453 121.750 -3.297 1
1 672 . 11 1 1 A 62 62 PHE H H 62 7.986 8.176 -0.190 1
1 673 . 11 1 1 A 62 62 PHE HA H 62 4.249 4.054 0.195 1
1 681 . 11 1 1 A 62 62 PHE C C 62 177.148 177.527 -0.379 1
1 682 . 11 1 1 A 62 62 PHE CA C 62 60.592 61.437 -0.845 1
1 683 . 11 1 1 A 62 62 PHE CB C 62 39.439 39.011 0.428 1
1 689 . 11 1 1 A 62 62 PHE N N 62 120.207 120.894 -0.687 1
1 690 . 11 1 1 A 63 63 ARG H H 63 8.034 7.730 0.304 1
1 691 . 11 1 1 A 63 63 ARG HA H 63 4.071 3.970 0.101 1
1 698 . 11 1 1 A 63 63 ARG C C 63 177.342 178.348 -1.006 1
1 699 . 11 1 1 A 63 63 ARG CA C 63 58.068 59.398 -1.330 1
1 700 . 11 1 1 A 63 63 ARG CB C 63 30.282 30.083 0.199 1
1 703 . 11 1 1 A 63 63 ARG N N 63 119.257 117.393 1.864 1
1 704 . 11 1 1 A 64 64 ARG H H 64 7.956 7.713 0.243 1
1 705 . 11 1 1 A 64 64 ARG HA H 64 4.096 4.098 -0.002 1
1 712 . 11 1 1 A 64 64 ARG C C 64 177.366 178.160 -0.794 1
1 713 . 11 1 1 A 64 64 ARG CA C 64 57.971 58.768 -0.797 1
1 714 . 11 1 1 A 64 64 ARG CB C 64 30.419 29.932 0.487 1
1 717 . 11 1 1 A 64 64 ARG N N 64 119.492 120.720 -1.228 1
1 718 . 11 1 1 A 65 65 ASN H H 65 8.042 8.396 -0.354 1
1 719 . 11 1 1 A 65 65 ASN HA H 65 4.537 4.325 0.212 1
1 724 . 11 1 1 A 65 65 ASN C C 65 176.152 176.669 -0.517 1
1 725 . 11 1 1 A 65 65 ASN CA C 65 54.348 55.705 -1.357 1
1 726 . 11 1 1 A 65 65 ASN CB C 65 38.466 37.187 1.279 1
1 727 . 11 1 1 A 65 65 ASN N N 65 117.555 114.994 2.561 1
1 729 . 11 1 1 A 66 66 LEU H H 66 7.777 7.163 0.614 1
1 730 . 11 1 1 A 66 66 LEU HA H 66 4.140 4.073 0.067 1
1 740 . 11 1 1 A 66 66 LEU C C 66 177.779 177.288 0.491 1
1 741 . 11 1 1 A 66 66 LEU CA C 66 56.138 56.337 -0.199 1
1 742 . 11 1 1 A 66 66 LEU CB C 66 42.160 41.597 0.563 1
1 746 . 11 1 1 A 66 66 LEU N N 66 121.103 119.884 1.219 1
1 747 . 11 1 1 A 67 67 LEU H H 67 7.861 7.731 0.130 1
1 748 . 11 1 1 A 67 67 LEU HA H 67 4.252 4.368 -0.116 1
1 758 . 11 1 1 A 67 67 LEU C C 67 177.245 175.978 1.267 1
1 759 . 11 1 1 A 67 67 LEU CA C 67 55.445 54.391 1.054 1
1 760 . 11 1 1 A 67 67 LEU CB C 67 42.122 41.790 0.332 1
1 764 . 11 1 1 A 67 67 LEU N N 67 120.121 117.493 2.628 1
1 765 . 11 1 1 A 68 68 ARG H H 68 7.963 8.029 -0.066 1
1 766 . 11 1 1 A 68 68 ARG HA H 68 4.265 3.900 0.365 1
1 773 . 11 1 1 A 68 68 ARG C C 68 175.934 175.576 0.358 1
1 774 . 11 1 1 A 68 68 ARG CA C 68 56.208 56.964 -0.756 1
1 775 . 11 1 1 A 68 68 ARG CB C 68 30.839 27.164 3.675 1
1 778 . 11 1 1 A 68 68 ARG N N 68 120.189 115.454 4.735 1
1 779 . 11 1 1 A 69 69 GLN H H 69 8.303 7.912 0.391 1
1 780 . 11 1 1 A 69 69 GLN HA H 69 4.320 4.105 0.215 1
1 787 . 11 1 1 A 69 69 GLN C C 69 175.740 175.650 0.090 1
1 788 . 11 1 1 A 69 69 GLN CA C 69 55.891 57.741 -1.850 1
1 789 . 11 1 1 A 69 69 GLN CB C 69 29.556 30.012 -0.456 1
1 791 . 11 1 1 A 69 69 GLN N N 69 121.097 117.962 3.135 1
1 793 . 11 1 1 A 70 70 GLU H H 70 8.391 7.718 0.673 1
1 794 . 11 1 1 A 70 70 GLU HA H 70 4.290 4.721 -0.431 1
1 799 . 11 1 1 A 70 70 GLU C C 70 175.254 173.877 1.377 1
1 800 . 11 1 1 A 70 70 GLU CA C 70 56.490 55.993 0.497 1
1 801 . 11 1 1 A 70 70 GLU CB C 70 30.636 33.426 -2.790 1
1 803 . 11 1 1 A 70 70 GLU N N 70 122.138 117.997 4.141 1
1 804 . 11 1 1 A 71 71 ASN H H 71 8.095 8.882 -0.787 1
1 805 . 11 1 1 A 71 71 ASN HA H 71 4.462 5.629 -1.167 1
1 810 . 11 1 1 A 71 71 ASN C C 71 179.333 174.103 5.230 1
1 811 . 11 1 1 A 71 71 ASN CA C 71 55.009 52.036 2.973 1
1 812 . 11 1 1 A 71 71 ASN CB C 71 41.051 42.934 -1.883 1
1 813 . 11 1 1 A 71 71 ASN N N 71 124.912 123.322 1.590 1
1 815 . 11 1 1 A 72 72 GLY HA2 H 72 3.944 4.175 -0.231 1
1 816 . 11 1 1 A 72 72 GLY HA3 H 72 3.872 4.178 -0.306 1
1 817 . 11 1 1 A 72 72 GLY C C 72 175.060 173.258 1.802 1
1 818 . 11 1 1 A 72 72 GLY CA C 72 45.579 45.316 0.263 1
1 819 . 11 1 1 A 73 73 GLY H H 73 8.416 8.504 -0.088 1
1 820 . 11 1 1 A 73 73 GLY HA2 H 73 3.947 4.200 -0.253 1
1 821 . 11 1 1 A 73 73 GLY HA3 H 73 3.947 4.208 -0.261 1
1 822 . 11 1 1 A 73 73 GLY C C 73 174.356 171.541 2.815 1
1 823 . 11 1 1 A 73 73 GLY CA C 73 45.280 46.066 -0.786 1
1 824 . 11 1 1 A 73 73 GLY N N 73 108.960 109.485 -0.525 1
1 825 . 11 1 1 A 74 74 VAL H H 74 8.059 8.084 -0.025 1
1 826 . 11 1 1 A 74 74 VAL HA H 74 4.181 4.540 -0.359 1
1 834 . 11 1 1 A 74 74 VAL C C 74 176.419 173.135 3.284 1
1 835 . 11 1 1 A 74 74 VAL CA C 74 62.309 60.793 1.516 1
1 836 . 11 1 1 A 74 74 VAL CB C 74 32.843 34.568 -1.725 1
1 839 . 11 1 1 A 74 74 VAL N N 74 118.980 120.507 -1.527 1
1 840 . 11 1 1 A 75 75 SER H H 75 8.430 8.719 -0.289 1
1 841 . 11 1 1 A 75 75 SER HA H 75 4.493 5.265 -0.772 1
1 844 . 11 1 1 A 75 75 SER C C 75 174.525 174.741 -0.216 1
1 845 . 11 1 1 A 75 75 SER CA C 75 58.349 57.273 1.076 1
1 846 . 11 1 1 A 75 75 SER CB C 75 63.880 66.150 -2.270 1
1 847 . 11 1 1 A 75 75 SER N N 75 119.288 124.365 -5.077 1
1 848 . 11 1 1 A 76 76 GLY H H 76 8.206 8.577 -0.371 1
1 849 . 11 1 1 A 76 76 GLY C C 76 171.757 174.704 -2.947 1
1 850 . 11 1 1 A 76 76 GLY CA C 76 44.642 44.272 0.370 1
1 851 . 11 1 1 A 76 76 GLY N N 76 110.769 109.383 1.386 1
1 852 . 11 1 1 A 79 79 SER HA H 79 4.474 5.128 -0.654 1
1 855 . 11 1 1 A 79 79 SER C C 79 173.918 173.145 0.773 1
1 856 . 11 1 1 A 79 79 SER CA C 79 58.430 56.572 1.858 1
1 857 . 11 1 1 A 79 79 SER CB C 79 64.045 65.337 -1.292 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.959 4.130 -0.171 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.959 4.133 -0.174 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.210 174.474 -0.264 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.270 45.382 -0.112 1
1 5 . 12 1 1 A 8 8 LYS H H 8 7.993 8.551 -0.558 1
1 6 . 12 1 1 A 8 8 LYS C C 8 176.347 175.836 0.511 1
1 7 . 12 1 1 A 8 8 LYS CA C 8 62.168 56.575 5.593 1
1 8 . 12 1 1 A 8 8 LYS CB C 8 32.974 32.727 0.247 1
1 9 . 12 1 1 A 8 8 LYS N N 8 118.865 123.374 -4.509 1
1 10 . 12 1 1 A 12 12 THR HA H 12 4.227 5.076 -0.849 1
1 15 . 12 1 1 A 12 12 THR CA C 12 61.902 59.573 2.329 1
1 16 . 12 1 1 A 12 12 THR CB C 12 69.926 70.857 -0.931 1
1 18 . 12 1 1 A 13 13 SER HA H 13 4.401 4.916 -0.515 1
1 21 . 12 1 1 A 13 13 SER C C 13 173.627 173.464 0.163 1
1 22 . 12 1 1 A 13 13 SER CA C 13 57.513 57.442 0.071 1
1 23 . 12 1 1 A 13 13 SER CB C 13 63.880 64.181 -0.301 1
1 24 . 12 1 1 A 14 14 PHE H H 14 8.197 9.086 -0.889 1
1 25 . 12 1 1 A 14 14 PHE HA H 14 4.701 4.868 -0.167 1
1 33 . 12 1 1 A 14 14 PHE C C 14 176.177 175.702 0.475 1
1 34 . 12 1 1 A 14 14 PHE CA C 14 57.539 57.338 0.201 1
1 35 . 12 1 1 A 14 14 PHE CB C 14 41.041 42.077 -1.036 1
1 41 . 12 1 1 A 14 14 PHE N N 14 121.084 125.401 -4.317 1
1 42 . 12 1 1 A 15 15 LYS H H 15 8.548 8.820 -0.272 1
1 43 . 12 1 1 A 15 15 LYS HA H 15 4.449 4.544 -0.095 1
1 51 . 12 1 1 A 15 15 LYS C C 15 178.532 177.679 0.853 1
1 52 . 12 1 1 A 15 15 LYS CA C 15 55.291 55.007 0.284 1
1 53 . 12 1 1 A 15 15 LYS CB C 15 33.993 33.932 0.061 1
1 57 . 12 1 1 A 15 15 LYS N N 15 120.600 119.907 0.693 1
1 58 . 12 1 1 A 16 16 HIS HA H 16 4.238 4.570 -0.332 1
1 62 . 12 1 1 A 16 16 HIS CA C 16 60.805 58.786 2.019 1
1 63 . 12 1 1 A 16 16 HIS CB C 16 30.416 30.024 0.392 1
1 65 . 12 1 1 A 17 17 HIS HA H 17 4.218 4.242 -0.024 1
1 69 . 12 1 1 A 17 17 HIS C C 17 177.731 177.783 -0.052 1
1 70 . 12 1 1 A 17 17 HIS CA C 17 58.994 59.855 -0.861 1
1 71 . 12 1 1 A 17 17 HIS CB C 17 29.627 29.904 -0.277 1
1 73 . 12 1 1 A 18 18 GLN H H 18 6.563 8.280 -1.717 1
1 74 . 12 1 1 A 18 18 GLN HA H 18 3.747 3.961 -0.214 1
1 81 . 12 1 1 A 18 18 GLN C C 18 177.051 178.038 -0.987 1
1 82 . 12 1 1 A 18 18 GLN CA C 18 58.148 58.508 -0.360 1
1 83 . 12 1 1 A 18 18 GLN CB C 18 27.752 28.467 -0.715 1
1 85 . 12 1 1 A 18 18 GLN N N 18 119.371 117.286 2.085 1
1 87 . 12 1 1 A 19 19 LEU H H 19 7.532 8.165 -0.633 1
1 88 . 12 1 1 A 19 19 LEU HA H 19 3.570 3.654 -0.084 1
1 98 . 12 1 1 A 19 19 LEU C C 19 178.362 178.605 -0.243 1
1 99 . 12 1 1 A 19 19 LEU CA C 19 57.464 57.644 -0.180 1
1 100 . 12 1 1 A 19 19 LEU CB C 19 42.092 41.505 0.587 1
1 104 . 12 1 1 A 19 19 LEU N N 19 118.862 120.468 -1.606 1
1 105 . 12 1 1 A 20 20 ARG H H 20 8.168 7.938 0.230 1
1 106 . 12 1 1 A 20 20 ARG HA H 20 3.899 4.005 -0.106 1
1 113 . 12 1 1 A 20 20 ARG C C 20 179.358 178.597 0.761 1
1 114 . 12 1 1 A 20 20 ARG CA C 20 59.641 59.322 0.319 1
1 115 . 12 1 1 A 20 20 ARG CB C 20 29.869 29.947 -0.078 1
1 118 . 12 1 1 A 20 20 ARG N N 20 118.228 119.298 -1.070 1
1 119 . 12 1 1 A 21 21 THR H H 21 7.592 7.629 -0.037 1
1 120 . 12 1 1 A 21 21 THR HA H 21 3.854 3.937 -0.083 1
1 125 . 12 1 1 A 21 21 THR C C 21 176.662 176.793 -0.131 1
1 126 . 12 1 1 A 21 21 THR CA C 21 66.646 66.919 -0.273 1
1 127 . 12 1 1 A 21 21 THR CB C 21 68.271 68.614 -0.343 1
1 129 . 12 1 1 A 21 21 THR N N 21 117.730 116.110 1.620 1
1 130 . 12 1 1 A 22 22 MET H H 22 7.910 8.014 -0.104 1
1 131 . 12 1 1 A 22 22 MET HA H 22 3.537 4.015 -0.478 1
1 139 . 12 1 1 A 22 22 MET C C 22 177.099 178.634 -1.535 1
1 140 . 12 1 1 A 22 22 MET CA C 22 61.053 58.897 2.156 1
1 141 . 12 1 1 A 22 22 MET CB C 22 31.655 32.144 -0.489 1
1 144 . 12 1 1 A 22 22 MET N N 22 121.373 117.945 3.428 1
1 145 . 12 1 1 A 23 23 LYS H H 23 8.663 8.366 0.297 1
1 146 . 12 1 1 A 23 23 LYS HA H 23 4.037 4.402 -0.365 1
1 155 . 12 1 1 A 23 23 LYS C C 23 180.183 179.620 0.563 1
1 156 . 12 1 1 A 23 23 LYS CA C 23 60.743 60.102 0.641 1
1 157 . 12 1 1 A 23 23 LYS CB C 23 32.386 32.698 -0.312 1
1 161 . 12 1 1 A 23 23 LYS N N 23 117.749 119.967 -2.218 1
1 162 . 12 1 1 A 24 24 SER H H 24 8.182 7.848 0.334 1
1 163 . 12 1 1 A 24 24 SER HA H 24 4.291 4.213 0.078 1
1 166 . 12 1 1 A 24 24 SER C C 24 176.298 176.193 0.105 1
1 167 . 12 1 1 A 24 24 SER CA C 24 61.850 62.486 -0.636 1
1 168 . 12 1 1 A 24 24 SER CB C 24 62.661 63.407 -0.746 1
1 169 . 12 1 1 A 24 24 SER N N 24 115.784 116.076 -0.292 1
1 170 . 12 1 1 A 25 25 TYR H H 25 7.860 8.195 -0.335 1
1 171 . 12 1 1 A 25 25 TYR HA H 25 4.168 4.362 -0.194 1
1 178 . 12 1 1 A 25 25 TYR C C 25 177.731 177.979 -0.248 1
1 179 . 12 1 1 A 25 25 TYR CA C 25 62.168 61.681 0.487 1
1 180 . 12 1 1 A 25 25 TYR CB C 25 38.810 38.930 -0.120 1
1 185 . 12 1 1 A 25 25 TYR N N 25 122.606 123.398 -0.792 1
1 186 . 12 1 1 A 26 26 PHE H H 26 9.057 8.768 0.289 1
1 187 . 12 1 1 A 26 26 PHE HA H 26 4.587 4.735 -0.148 1
1 195 . 12 1 1 A 26 26 PHE C C 26 174.987 178.085 -3.098 1
1 196 . 12 1 1 A 26 26 PHE CA C 26 61.043 61.903 -0.860 1
1 197 . 12 1 1 A 26 26 PHE CB C 26 39.600 39.652 -0.052 1
1 203 . 12 1 1 A 26 26 PHE N N 26 121.419 121.215 0.204 1
1 204 . 12 1 1 A 27 27 ALA H H 27 7.459 7.793 -0.334 1
1 205 . 12 1 1 A 27 27 ALA HA H 27 4.051 3.716 0.335 1
1 209 . 12 1 1 A 27 27 ALA C C 27 178.775 180.056 -1.281 1
1 210 . 12 1 1 A 27 27 ALA CA C 27 54.233 54.815 -0.582 1
1 211 . 12 1 1 A 27 27 ALA CB C 27 18.405 18.263 0.142 1
1 212 . 12 1 1 A 27 27 ALA N N 27 114.718 120.817 -6.099 1
1 213 . 12 1 1 A 28 28 ILE H H 28 7.405 7.472 -0.067 1
1 214 . 12 1 1 A 28 28 ILE HA H 28 3.985 3.868 0.117 1
1 224 . 12 1 1 A 28 28 ILE C C 28 176.055 176.054 0.001 1
1 225 . 12 1 1 A 28 28 ILE CA C 28 61.603 63.188 -1.585 1
1 226 . 12 1 1 A 28 28 ILE CB C 28 39.090 38.258 0.832 1
1 230 . 12 1 1 A 28 28 ILE N N 28 115.025 115.620 -0.595 1
1 231 . 12 1 1 A 29 29 ASN H H 29 8.087 8.049 0.038 1
1 232 . 12 1 1 A 29 29 ASN HA H 29 4.511 5.083 -0.572 1
1 237 . 12 1 1 A 29 29 ASN C C 29 172.947 174.431 -1.484 1
1 238 . 12 1 1 A 29 29 ASN CA C 29 52.594 52.686 -0.092 1
1 239 . 12 1 1 A 29 29 ASN CB C 29 39.402 41.755 -2.353 1
1 240 . 12 1 1 A 29 29 ASN N N 29 119.219 115.818 3.401 1
1 242 . 12 1 1 A 30 30 HIS H H 30 8.408 8.276 0.132 1
1 243 . 12 1 1 A 30 30 HIS HA H 30 4.499 5.094 -0.595 1
1 247 . 12 1 1 A 30 30 HIS C C 30 175.472 175.256 0.216 1
1 248 . 12 1 1 A 30 30 HIS CA C 30 55.538 55.692 -0.154 1
1 249 . 12 1 1 A 30 30 HIS CB C 30 31.578 31.260 0.318 1
1 251 . 12 1 1 A 30 30 HIS N N 30 120.962 120.211 0.751 1
1 252 . 12 1 1 A 31 31 ASN H H 31 7.931 7.463 0.468 1
1 253 . 12 1 1 A 31 31 ASN HA H 31 5.099 4.987 0.112 1
1 258 . 12 1 1 A 31 31 ASN C C 31 170.762 172.139 -1.377 1
1 259 . 12 1 1 A 31 31 ASN CA C 31 51.130 50.539 0.591 1
1 260 . 12 1 1 A 31 31 ASN CB C 31 40.625 39.267 1.358 1
1 261 . 12 1 1 A 31 31 ASN N N 31 114.800 117.949 -3.149 1
1 263 . 12 1 1 A 32 32 PRO HA H 32 4.565 4.608 -0.043 1
1 270 . 12 1 1 A 32 32 PRO C C 32 176.832 175.875 0.957 1
1 271 . 12 1 1 A 32 32 PRO CA C 32 63.120 62.457 0.663 1
1 272 . 12 1 1 A 32 32 PRO CB C 32 31.715 32.291 -0.576 1
1 275 . 12 1 1 A 33 33 ASP H H 33 8.758 8.720 0.038 1
1 276 . 12 1 1 A 33 33 ASP HA H 33 4.526 4.982 -0.456 1
1 279 . 12 1 1 A 33 33 ASP C C 33 175.667 177.609 -1.942 1
1 280 . 12 1 1 A 33 33 ASP CA C 33 51.908 52.945 -1.037 1
1 281 . 12 1 1 A 33 33 ASP CB C 33 41.113 41.571 -0.458 1
1 282 . 12 1 1 A 33 33 ASP N N 33 123.573 120.993 2.580 1
1 283 . 12 1 1 A 34 34 ALA H H 34 8.274 8.947 -0.673 1
1 284 . 12 1 1 A 34 34 ALA HA H 34 3.914 3.970 -0.056 1
1 288 . 12 1 1 A 34 34 ALA C C 34 180.742 179.674 1.068 1
1 289 . 12 1 1 A 34 34 ALA CA C 34 56.073 55.897 0.176 1
1 290 . 12 1 1 A 34 34 ALA CB C 34 18.510 18.102 0.408 1
1 291 . 12 1 1 A 34 34 ALA N N 34 119.222 123.964 -4.742 1
1 292 . 12 1 1 A 35 35 LYS H H 35 7.931 8.161 -0.230 1
1 293 . 12 1 1 A 35 35 LYS HA H 35 4.019 3.898 0.121 1
1 302 . 12 1 1 A 35 35 LYS C C 35 179.430 178.610 0.820 1
1 303 . 12 1 1 A 35 35 LYS CA C 35 59.485 59.822 -0.337 1
1 304 . 12 1 1 A 35 35 LYS CB C 35 31.535 32.244 -0.709 1
1 308 . 12 1 1 A 35 35 LYS N N 35 119.343 118.189 1.154 1
1 309 . 12 1 1 A 36 36 ASP H H 36 8.611 8.109 0.502 1
1 310 . 12 1 1 A 36 36 ASP HA H 36 4.408 4.440 -0.032 1
1 313 . 12 1 1 A 36 36 ASP C C 36 179.479 178.937 0.542 1
1 314 . 12 1 1 A 36 36 ASP CA C 36 57.090 57.392 -0.302 1
1 315 . 12 1 1 A 36 36 ASP CB C 36 39.930 40.426 -0.496 1
1 316 . 12 1 1 A 36 36 ASP N N 36 123.478 119.943 3.535 1
1 317 . 12 1 1 A 37 37 LEU H H 37 8.743 8.780 -0.037 1
1 318 . 12 1 1 A 37 37 LEU HA H 37 3.805 3.864 -0.059 1
1 328 . 12 1 1 A 37 37 LEU C C 37 178.799 178.992 -0.193 1
1 329 . 12 1 1 A 37 37 LEU CA C 37 58.148 58.008 0.140 1
1 330 . 12 1 1 A 37 37 LEU CB C 37 42.233 41.680 0.553 1
1 334 . 12 1 1 A 37 37 LEU N N 37 120.010 121.068 -1.058 1
1 335 . 12 1 1 A 38 38 LYS H H 38 7.756 8.444 -0.688 1
1 336 . 12 1 1 A 38 38 LYS HA H 38 3.956 4.003 -0.047 1
1 343 . 12 1 1 A 38 38 LYS C C 38 179.090 178.351 0.739 1
1 344 . 12 1 1 A 38 38 LYS CA C 38 59.950 59.015 0.935 1
1 345 . 12 1 1 A 38 38 LYS CB C 38 32.315 31.843 0.472 1
1 349 . 12 1 1 A 38 38 LYS N N 38 120.326 117.763 2.563 1
1 350 . 12 1 1 A 39 39 GLN H H 39 7.634 7.501 0.133 1
1 351 . 12 1 1 A 39 39 GLN HA H 39 4.156 4.036 0.120 1
1 358 . 12 1 1 A 39 39 GLN C C 39 178.896 179.162 -0.266 1
1 359 . 12 1 1 A 39 39 GLN CA C 39 58.888 58.660 0.228 1
1 360 . 12 1 1 A 39 39 GLN CB C 39 28.441 28.256 0.185 1
1 362 . 12 1 1 A 39 39 GLN N N 39 119.272 119.080 0.192 1
1 364 . 12 1 1 A 40 40 LEU H H 40 8.541 8.000 0.541 1
1 365 . 12 1 1 A 40 40 LEU HA H 40 3.848 3.970 -0.122 1
1 375 . 12 1 1 A 40 40 LEU C C 40 180.256 178.673 1.583 1
1 376 . 12 1 1 A 40 40 LEU CA C 40 57.866 57.775 0.091 1
1 377 . 12 1 1 A 40 40 LEU CB C 40 43.074 41.519 1.555 1
1 381 . 12 1 1 A 40 40 LEU N N 40 120.555 120.110 0.445 1
1 382 . 12 1 1 A 41 41 ALA H H 41 8.633 8.189 0.444 1
1 383 . 12 1 1 A 41 41 ALA HA H 41 4.032 3.908 0.124 1
1 387 . 12 1 1 A 41 41 ALA C C 41 179.722 179.234 0.488 1
1 388 . 12 1 1 A 41 41 ALA CA C 41 55.923 54.891 1.032 1
1 389 . 12 1 1 A 41 41 ALA CB C 41 17.836 18.325 -0.489 1
1 390 . 12 1 1 A 41 41 ALA N N 41 127.288 120.659 6.629 1
1 391 . 12 1 1 A 42 42 GLN H H 42 7.698 7.626 0.072 1
1 392 . 12 1 1 A 42 42 GLN HA H 42 4.034 4.211 -0.177 1
1 399 . 12 1 1 A 42 42 GLN C C 42 178.848 178.128 0.720 1
1 400 . 12 1 1 A 42 42 GLN CA C 42 58.853 57.800 1.053 1
1 401 . 12 1 1 A 42 42 GLN CB C 42 28.276 29.109 -0.833 1
1 403 . 12 1 1 A 42 42 GLN N N 42 118.543 116.338 2.205 1
1 405 . 12 1 1 A 43 43 LYS H H 43 8.099 7.644 0.455 1
1 406 . 12 1 1 A 43 43 LYS HA H 43 4.172 4.080 0.092 1
1 415 . 12 1 1 A 43 43 LYS C C 43 178.581 177.975 0.606 1
1 416 . 12 1 1 A 43 43 LYS CA C 43 58.741 58.921 -0.180 1
1 417 . 12 1 1 A 43 43 LYS CB C 43 34.128 32.623 1.505 1
1 421 . 12 1 1 A 43 43 LYS N N 43 116.650 119.298 -2.648 1
1 422 . 12 1 1 A 44 44 THR H H 44 8.053 8.035 0.018 1
1 423 . 12 1 1 A 44 44 THR HA H 44 4.517 4.491 0.026 1
1 428 . 12 1 1 A 44 44 THR C C 44 176.104 175.883 0.221 1
1 429 . 12 1 1 A 44 44 THR CA C 44 63.114 62.375 0.739 1
1 430 . 12 1 1 A 44 44 THR CB C 44 72.379 71.148 1.231 1
1 432 . 12 1 1 A 44 44 THR N N 44 105.200 108.067 -2.867 1
1 433 . 12 1 1 A 45 45 GLY H H 45 8.327 8.038 0.289 1
1 434 . 12 1 1 A 45 45 GLY HA2 H 45 3.882 3.986 -0.104 1
1 435 . 12 1 1 A 45 45 GLY HA3 H 45 4.257 3.987 0.270 1
1 436 . 12 1 1 A 45 45 GLY C C 45 174.283 174.458 -0.175 1
1 437 . 12 1 1 A 45 45 GLY CA C 45 45.950 44.997 0.953 1
1 438 . 12 1 1 A 45 45 GLY N N 45 111.805 111.301 0.504 1
1 439 . 12 1 1 A 46 46 LEU H H 46 7.710 7.478 0.232 1
1 440 . 12 1 1 A 46 46 LEU HA H 46 4.692 4.401 0.291 1
1 450 . 12 1 1 A 46 46 LEU C C 46 176.249 177.296 -1.047 1
1 451 . 12 1 1 A 46 46 LEU CA C 46 53.293 54.728 -1.435 1
1 452 . 12 1 1 A 46 46 LEU CB C 46 44.084 42.510 1.574 1
1 456 . 12 1 1 A 46 46 LEU N N 46 121.162 122.665 -1.503 1
1 457 . 12 1 1 A 47 47 THR H H 47 7.718 8.701 -0.983 1
1 458 . 12 1 1 A 47 47 THR HA H 47 4.379 4.683 -0.304 1
1 463 . 12 1 1 A 47 47 THR C C 47 175.594 175.551 0.043 1
1 464 . 12 1 1 A 47 47 THR CA C 47 60.475 60.447 0.028 1
1 465 . 12 1 1 A 47 47 THR CB C 47 71.045 71.406 -0.361 1
1 467 . 12 1 1 A 47 47 THR N N 47 107.953 113.792 -5.839 1
1 468 . 12 1 1 A 48 48 LYS H H 48 8.750 8.946 -0.196 1
1 469 . 12 1 1 A 48 48 LYS HA H 48 3.788 3.906 -0.118 1
1 478 . 12 1 1 A 48 48 LYS C C 48 178.119 178.229 -0.110 1
1 479 . 12 1 1 A 48 48 LYS CA C 48 60.816 60.099 0.717 1
1 480 . 12 1 1 A 48 48 LYS CB C 48 32.050 32.414 -0.364 1
1 484 . 12 1 1 A 48 48 LYS N N 48 120.566 122.546 -1.980 1
1 485 . 12 1 1 A 49 49 ARG H H 49 8.274 7.721 0.553 1
1 486 . 12 1 1 A 49 49 ARG HA H 49 4.214 4.121 0.093 1
1 492 . 12 1 1 A 49 49 ARG C C 49 178.216 178.585 -0.369 1
1 493 . 12 1 1 A 49 49 ARG CA C 49 59.170 58.827 0.343 1
1 494 . 12 1 1 A 49 49 ARG CB C 49 30.181 29.848 0.333 1
1 497 . 12 1 1 A 49 49 ARG N N 49 116.915 119.116 -2.201 1
1 498 . 12 1 1 A 50 50 VAL H H 50 7.310 7.646 -0.336 1
1 499 . 12 1 1 A 50 50 VAL HA H 50 3.730 3.666 0.064 1
1 507 . 12 1 1 A 50 50 VAL C C 50 179.406 178.339 1.067 1
1 508 . 12 1 1 A 50 50 VAL CA C 50 66.576 66.614 -0.038 1
1 509 . 12 1 1 A 50 50 VAL CB C 50 31.655 31.615 0.040 1
1 512 . 12 1 1 A 50 50 VAL N N 50 119.540 119.329 0.211 1
1 513 . 12 1 1 A 51 51 LEU H H 51 8.115 8.004 0.111 1
1 514 . 12 1 1 A 51 51 LEU HA H 51 4.133 3.807 0.326 1
1 524 . 12 1 1 A 51 51 LEU C C 51 178.726 179.092 -0.366 1
1 525 . 12 1 1 A 51 51 LEU CA C 51 58.465 58.354 0.111 1
1 526 . 12 1 1 A 51 51 LEU CB C 51 43.173 41.769 1.404 1
1 530 . 12 1 1 A 51 51 LEU N N 51 120.715 118.764 1.951 1
1 531 . 12 1 1 A 52 52 GLN H H 52 8.981 8.261 0.720 1
1 532 . 12 1 1 A 52 52 GLN HA H 52 4.131 4.110 0.021 1
1 539 . 12 1 1 A 52 52 GLN C C 52 179.600 178.749 0.851 1
1 540 . 12 1 1 A 52 52 GLN CA C 52 60.226 58.881 1.345 1
1 541 . 12 1 1 A 52 52 GLN CB C 52 29.018 28.651 0.367 1
1 543 . 12 1 1 A 52 52 GLN N N 52 118.651 116.645 2.006 1
1 545 . 12 1 1 A 53 53 VAL H H 53 8.057 8.473 -0.416 1
1 546 . 12 1 1 A 53 53 VAL HA H 53 3.723 3.704 0.019 1
1 554 . 12 1 1 A 53 53 VAL C C 53 177.755 178.342 -0.587 1
1 555 . 12 1 1 A 53 53 VAL CA C 53 66.646 66.770 -0.124 1
1 556 . 12 1 1 A 53 53 VAL CB C 53 32.196 31.760 0.436 1
1 559 . 12 1 1 A 53 53 VAL N N 53 120.778 119.936 0.842 1
1 560 . 12 1 1 A 54 54 TRP H H 54 8.377 8.329 0.048 1
1 561 . 12 1 1 A 54 54 TRP HA H 54 4.036 4.251 -0.215 1
1 570 . 12 1 1 A 54 54 TRP C C 54 180.110 178.121 1.989 1
1 571 . 12 1 1 A 54 54 TRP CA C 54 63.543 61.353 2.190 1
1 572 . 12 1 1 A 54 54 TRP CB C 54 28.771 29.673 -0.902 1
1 578 . 12 1 1 A 54 54 TRP N N 54 122.326 121.211 1.115 1
1 580 . 12 1 1 A 55 55 PHE H H 55 9.196 8.607 0.589 1
1 581 . 12 1 1 A 55 55 PHE HA H 55 3.808 3.937 -0.129 1
1 589 . 12 1 1 A 55 55 PHE C C 55 177.973 178.145 -0.172 1
1 590 . 12 1 1 A 55 55 PHE CA C 55 63.557 61.923 1.634 1
1 591 . 12 1 1 A 55 55 PHE CB C 55 39.139 38.823 0.316 1
1 597 . 12 1 1 A 55 55 PHE N N 55 118.085 118.065 0.020 1
1 598 . 12 1 1 A 56 56 GLN H H 56 8.289 8.218 0.071 1
1 599 . 12 1 1 A 56 56 GLN HA H 56 3.992 3.934 0.058 1
1 606 . 12 1 1 A 56 56 GLN C C 56 179.212 178.933 0.279 1
1 607 . 12 1 1 A 56 56 GLN CA C 56 59.699 59.286 0.413 1
1 608 . 12 1 1 A 56 56 GLN CB C 56 28.236 28.355 -0.119 1
1 610 . 12 1 1 A 56 56 GLN N N 56 119.990 117.406 2.584 1
1 612 . 12 1 1 A 57 57 ASN H H 57 8.244 8.011 0.233 1
1 613 . 12 1 1 A 57 57 ASN HA H 57 4.341 4.340 0.001 1
1 618 . 12 1 1 A 57 57 ASN C C 57 177.124 177.819 -0.695 1
1 619 . 12 1 1 A 57 57 ASN CA C 57 55.820 56.080 -0.260 1
1 620 . 12 1 1 A 57 57 ASN CB C 57 38.025 37.670 0.355 1
1 621 . 12 1 1 A 57 57 ASN N N 57 119.713 118.181 1.532 1
1 623 . 12 1 1 A 58 58 ALA H H 58 8.224 7.658 0.566 1
1 624 . 12 1 1 A 58 58 ALA HA H 58 3.323 3.602 -0.279 1
1 628 . 12 1 1 A 58 58 ALA C C 58 180.814 179.726 1.088 1
1 629 . 12 1 1 A 58 58 ALA CA C 58 54.712 54.757 -0.045 1
1 630 . 12 1 1 A 58 58 ALA CB C 58 16.697 17.359 -0.662 1
1 631 . 12 1 1 A 58 58 ALA N N 58 125.439 122.751 2.688 1
1 632 . 12 1 1 A 59 59 ARG H H 59 8.404 7.549 0.855 1
1 633 . 12 1 1 A 59 59 ARG HA H 59 4.009 4.131 -0.122 1
1 640 . 12 1 1 A 59 59 ARG C C 59 178.678 178.756 -0.078 1
1 641 . 12 1 1 A 59 59 ARG CA C 59 60.969 59.783 1.186 1
1 642 . 12 1 1 A 59 59 ARG CB C 59 31.491 30.104 1.387 1
1 645 . 12 1 1 A 59 59 ARG N N 59 118.829 117.919 0.910 1
1 646 . 12 1 1 A 60 60 ALA H H 60 7.711 7.624 0.087 1
1 647 . 12 1 1 A 60 60 ALA HA H 60 4.162 4.100 0.062 1
1 651 . 12 1 1 A 60 60 ALA C C 60 180.086 179.230 0.856 1
1 652 . 12 1 1 A 60 60 ALA CA C 60 55.116 55.208 -0.092 1
1 653 . 12 1 1 A 60 60 ALA CB C 60 17.993 18.371 -0.378 1
1 654 . 12 1 1 A 60 60 ALA N N 60 122.099 121.464 0.635 1
1 655 . 12 1 1 A 61 61 LYS H H 61 7.845 7.724 0.121 1
1 656 . 12 1 1 A 61 61 LYS HA H 61 3.912 4.007 -0.095 1
1 665 . 12 1 1 A 61 61 LYS C C 61 177.876 178.336 -0.460 1
1 666 . 12 1 1 A 61 61 LYS CA C 61 58.699 59.638 -0.939 1
1 667 . 12 1 1 A 61 61 LYS CB C 61 32.412 32.285 0.127 1
1 671 . 12 1 1 A 61 61 LYS N N 61 118.453 118.957 -0.504 1
1 672 . 12 1 1 A 62 62 PHE H H 62 7.986 8.515 -0.529 1
1 673 . 12 1 1 A 62 62 PHE HA H 62 4.249 4.080 0.169 1
1 681 . 12 1 1 A 62 62 PHE C C 62 177.148 177.151 -0.003 1
1 682 . 12 1 1 A 62 62 PHE CA C 62 60.592 61.811 -1.219 1
1 683 . 12 1 1 A 62 62 PHE CB C 62 39.439 39.283 0.156 1
1 689 . 12 1 1 A 62 62 PHE N N 62 120.207 120.800 -0.593 1
1 690 . 12 1 1 A 63 63 ARG H H 63 8.034 7.987 0.047 1
1 691 . 12 1 1 A 63 63 ARG HA H 63 4.071 3.816 0.255 1
1 698 . 12 1 1 A 63 63 ARG C C 63 177.342 178.745 -1.403 1
1 699 . 12 1 1 A 63 63 ARG CA C 63 58.068 59.453 -1.385 1
1 700 . 12 1 1 A 63 63 ARG CB C 63 30.282 30.015 0.267 1
1 703 . 12 1 1 A 63 63 ARG N N 63 119.257 116.998 2.259 1
1 704 . 12 1 1 A 64 64 ARG H H 64 7.956 8.021 -0.065 1
1 705 . 12 1 1 A 64 64 ARG HA H 64 4.096 3.933 0.163 1
1 712 . 12 1 1 A 64 64 ARG C C 64 177.366 178.158 -0.792 1
1 713 . 12 1 1 A 64 64 ARG CA C 64 57.971 59.335 -1.364 1
1 714 . 12 1 1 A 64 64 ARG CB C 64 30.419 29.845 0.574 1
1 717 . 12 1 1 A 64 64 ARG N N 64 119.492 119.520 -0.028 1
1 718 . 12 1 1 A 65 65 ASN H H 65 8.042 7.625 0.417 1
1 719 . 12 1 1 A 65 65 ASN HA H 65 4.537 4.333 0.204 1
1 724 . 12 1 1 A 65 65 ASN C C 65 176.152 177.526 -1.374 1
1 725 . 12 1 1 A 65 65 ASN CA C 65 54.348 56.096 -1.748 1
1 726 . 12 1 1 A 65 65 ASN CB C 65 38.466 38.828 -0.362 1
1 727 . 12 1 1 A 65 65 ASN N N 65 117.555 117.933 -0.378 1
1 729 . 12 1 1 A 66 66 LEU H H 66 7.777 7.591 0.186 1
1 730 . 12 1 1 A 66 66 LEU HA H 66 4.140 3.795 0.345 1
1 740 . 12 1 1 A 66 66 LEU C C 66 177.779 179.280 -1.501 1
1 741 . 12 1 1 A 66 66 LEU CA C 66 56.138 57.831 -1.693 1
1 742 . 12 1 1 A 66 66 LEU CB C 66 42.160 41.452 0.708 1
1 746 . 12 1 1 A 66 66 LEU N N 66 121.103 119.206 1.897 1
1 747 . 12 1 1 A 67 67 LEU H H 67 7.861 7.947 -0.086 1
1 748 . 12 1 1 A 67 67 LEU HA H 67 4.252 4.005 0.247 1
1 758 . 12 1 1 A 67 67 LEU C C 67 177.245 176.397 0.848 1
1 759 . 12 1 1 A 67 67 LEU CA C 67 55.445 57.288 -1.843 1
1 760 . 12 1 1 A 67 67 LEU CB C 67 42.122 41.773 0.349 1
1 764 . 12 1 1 A 67 67 LEU N N 67 120.121 119.420 0.701 1
1 765 . 12 1 1 A 68 68 ARG H H 68 7.963 8.118 -0.155 1
1 766 . 12 1 1 A 68 68 ARG HA H 68 4.265 3.929 0.336 1
1 773 . 12 1 1 A 68 68 ARG C C 68 175.934 175.386 0.548 1
1 774 . 12 1 1 A 68 68 ARG CA C 68 56.208 57.068 -0.860 1
1 775 . 12 1 1 A 68 68 ARG CB C 68 30.839 27.111 3.728 1
1 778 . 12 1 1 A 68 68 ARG N N 68 120.189 115.840 4.349 1
1 779 . 12 1 1 A 69 69 GLN H H 69 8.303 7.867 0.436 1
1 780 . 12 1 1 A 69 69 GLN HA H 69 4.320 4.223 0.097 1
1 787 . 12 1 1 A 69 69 GLN C C 69 175.740 175.067 0.673 1
1 788 . 12 1 1 A 69 69 GLN CA C 69 55.891 57.526 -1.635 1
1 789 . 12 1 1 A 69 69 GLN CB C 69 29.556 29.889 -0.333 1
1 791 . 12 1 1 A 69 69 GLN N N 69 121.097 118.009 3.088 1
1 793 . 12 1 1 A 70 70 GLU H H 70 8.391 7.863 0.528 1
1 794 . 12 1 1 A 70 70 GLU HA H 70 4.290 4.853 -0.563 1
1 799 . 12 1 1 A 70 70 GLU C C 70 175.254 175.817 -0.563 1
1 800 . 12 1 1 A 70 70 GLU CA C 70 56.490 54.862 1.628 1
1 801 . 12 1 1 A 70 70 GLU CB C 70 30.636 32.791 -2.155 1
1 803 . 12 1 1 A 70 70 GLU N N 70 122.138 118.721 3.417 1
1 804 . 12 1 1 A 71 71 ASN H H 71 8.095 8.736 -0.641 1
1 805 . 12 1 1 A 71 71 ASN HA H 71 4.462 4.692 -0.230 1
1 810 . 12 1 1 A 71 71 ASN C C 71 179.333 175.435 3.898 1
1 811 . 12 1 1 A 71 71 ASN CA C 71 55.009 54.237 0.772 1
1 812 . 12 1 1 A 71 71 ASN CB C 71 41.051 39.276 1.775 1
1 813 . 12 1 1 A 71 71 ASN N N 71 124.912 122.317 2.595 1
1 815 . 12 1 1 A 72 72 GLY HA2 H 72 3.944 4.154 -0.210 1
1 816 . 12 1 1 A 72 72 GLY HA3 H 72 3.872 4.158 -0.286 1
1 817 . 12 1 1 A 72 72 GLY C C 72 175.060 174.184 0.876 1
1 818 . 12 1 1 A 72 72 GLY CA C 72 45.579 44.284 1.295 1
1 819 . 12 1 1 A 73 73 GLY H H 73 8.416 8.619 -0.203 1
1 820 . 12 1 1 A 73 73 GLY HA2 H 73 3.947 4.048 -0.101 1
1 821 . 12 1 1 A 73 73 GLY HA3 H 73 3.947 4.057 -0.110 1
1 822 . 12 1 1 A 73 73 GLY C C 73 174.356 173.089 1.267 1
1 823 . 12 1 1 A 73 73 GLY CA C 73 45.280 45.337 -0.057 1
1 824 . 12 1 1 A 73 73 GLY N N 73 108.960 108.374 0.586 1
1 825 . 12 1 1 A 74 74 VAL H H 74 8.059 8.314 -0.255 1
1 826 . 12 1 1 A 74 74 VAL HA H 74 4.181 4.796 -0.615 1
1 834 . 12 1 1 A 74 74 VAL C C 74 176.419 174.595 1.824 1
1 835 . 12 1 1 A 74 74 VAL CA C 74 62.309 61.413 0.896 1
1 836 . 12 1 1 A 74 74 VAL CB C 74 32.843 32.920 -0.077 1
1 839 . 12 1 1 A 74 74 VAL N N 74 118.980 120.631 -1.651 1
1 840 . 12 1 1 A 75 75 SER H H 75 8.430 8.905 -0.475 1
1 841 . 12 1 1 A 75 75 SER HA H 75 4.493 4.674 -0.181 1
1 844 . 12 1 1 A 75 75 SER C C 75 174.525 173.057 1.468 1
1 845 . 12 1 1 A 75 75 SER CA C 75 58.349 57.221 1.128 1
1 846 . 12 1 1 A 75 75 SER CB C 75 63.880 61.915 1.965 1
1 847 . 12 1 1 A 75 75 SER N N 75 119.288 123.489 -4.201 1
1 848 . 12 1 1 A 76 76 GLY H H 76 8.206 8.283 -0.077 1
1 849 . 12 1 1 A 76 76 GLY C C 76 171.757 172.565 -0.808 1
1 850 . 12 1 1 A 76 76 GLY CA C 76 44.642 44.155 0.487 1
1 851 . 12 1 1 A 76 76 GLY N N 76 110.769 114.683 -3.914 1
1 852 . 12 1 1 A 79 79 SER HA H 79 4.474 4.759 -0.285 1
1 855 . 12 1 1 A 79 79 SER C C 79 173.918 174.359 -0.441 1
1 856 . 12 1 1 A 79 79 SER CA C 79 58.430 56.439 1.991 1
1 857 . 12 1 1 A 79 79 SER CB C 79 64.045 66.411 -2.366 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.959 4.119 -0.160 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.959 4.119 -0.160 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.210 175.010 -0.800 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.270 45.672 -0.402 1
1 5 . 13 1 1 A 8 8 LYS H H 8 7.993 7.882 0.111 1
1 6 . 13 1 1 A 8 8 LYS C C 8 176.347 175.945 0.402 1
1 7 . 13 1 1 A 8 8 LYS CA C 8 62.168 58.023 4.145 1
1 8 . 13 1 1 A 8 8 LYS CB C 8 32.974 33.519 -0.545 1
1 9 . 13 1 1 A 8 8 LYS N N 8 118.865 120.891 -2.026 1
1 10 . 13 1 1 A 12 12 THR HA H 12 4.227 4.205 0.022 1
1 15 . 13 1 1 A 12 12 THR CA C 12 61.902 63.724 -1.822 1
1 16 . 13 1 1 A 12 12 THR CB C 12 69.926 68.417 1.509 1
1 18 . 13 1 1 A 13 13 SER HA H 13 4.401 4.686 -0.285 1
1 21 . 13 1 1 A 13 13 SER C C 13 173.627 172.124 1.503 1
1 22 . 13 1 1 A 13 13 SER CA C 13 57.513 57.253 0.260 1
1 23 . 13 1 1 A 13 13 SER CB C 13 63.880 66.971 -3.091 1
1 24 . 13 1 1 A 14 14 PHE H H 14 8.197 8.961 -0.764 1
1 25 . 13 1 1 A 14 14 PHE HA H 14 4.701 5.016 -0.315 1
1 33 . 13 1 1 A 14 14 PHE C C 14 176.177 174.424 1.753 1
1 34 . 13 1 1 A 14 14 PHE CA C 14 57.539 56.356 1.183 1
1 35 . 13 1 1 A 14 14 PHE CB C 14 41.041 43.804 -2.763 1
1 41 . 13 1 1 A 14 14 PHE N N 14 121.084 121.820 -0.736 1
1 42 . 13 1 1 A 15 15 LYS H H 15 8.548 8.690 -0.142 1
1 43 . 13 1 1 A 15 15 LYS HA H 15 4.449 4.756 -0.307 1
1 51 . 13 1 1 A 15 15 LYS C C 15 178.532 177.945 0.587 1
1 52 . 13 1 1 A 15 15 LYS CA C 15 55.291 54.593 0.698 1
1 53 . 13 1 1 A 15 15 LYS CB C 15 33.993 34.471 -0.478 1
1 57 . 13 1 1 A 15 15 LYS N N 15 120.600 120.442 0.158 1
1 58 . 13 1 1 A 16 16 HIS HA H 16 4.238 4.362 -0.124 1
1 62 . 13 1 1 A 16 16 HIS CA C 16 60.805 58.714 2.091 1
1 63 . 13 1 1 A 16 16 HIS CB C 16 30.416 29.187 1.229 1
1 65 . 13 1 1 A 17 17 HIS HA H 17 4.218 4.291 -0.073 1
1 69 . 13 1 1 A 17 17 HIS C C 17 177.731 177.643 0.088 1
1 70 . 13 1 1 A 17 17 HIS CA C 17 58.994 59.325 -0.331 1
1 71 . 13 1 1 A 17 17 HIS CB C 17 29.627 29.920 -0.293 1
1 73 . 13 1 1 A 18 18 GLN H H 18 6.563 8.042 -1.479 1
1 74 . 13 1 1 A 18 18 GLN HA H 18 3.747 3.981 -0.234 1
1 81 . 13 1 1 A 18 18 GLN C C 18 177.051 177.998 -0.947 1
1 82 . 13 1 1 A 18 18 GLN CA C 18 58.148 58.434 -0.286 1
1 83 . 13 1 1 A 18 18 GLN CB C 18 27.752 28.546 -0.794 1
1 85 . 13 1 1 A 18 18 GLN N N 18 119.371 116.858 2.513 1
1 87 . 13 1 1 A 19 19 LEU H H 19 7.532 7.827 -0.295 1
1 88 . 13 1 1 A 19 19 LEU HA H 19 3.570 3.554 0.016 1
1 98 . 13 1 1 A 19 19 LEU C C 19 178.362 178.744 -0.382 1
1 99 . 13 1 1 A 19 19 LEU CA C 19 57.464 57.556 -0.092 1
1 100 . 13 1 1 A 19 19 LEU CB C 19 42.092 41.433 0.659 1
1 104 . 13 1 1 A 19 19 LEU N N 19 118.862 120.258 -1.396 1
1 105 . 13 1 1 A 20 20 ARG H H 20 8.168 8.106 0.062 1
1 106 . 13 1 1 A 20 20 ARG HA H 20 3.899 3.978 -0.079 1
1 113 . 13 1 1 A 20 20 ARG C C 20 179.358 178.217 1.141 1
1 114 . 13 1 1 A 20 20 ARG CA C 20 59.641 59.170 0.471 1
1 115 . 13 1 1 A 20 20 ARG CB C 20 29.869 30.031 -0.162 1
1 118 . 13 1 1 A 20 20 ARG N N 20 118.228 119.114 -0.886 1
1 119 . 13 1 1 A 21 21 THR H H 21 7.592 7.637 -0.045 1
1 120 . 13 1 1 A 21 21 THR HA H 21 3.854 3.949 -0.095 1
1 125 . 13 1 1 A 21 21 THR C C 21 176.662 176.873 -0.211 1
1 126 . 13 1 1 A 21 21 THR CA C 21 66.646 66.918 -0.272 1
1 127 . 13 1 1 A 21 21 THR CB C 21 68.271 68.543 -0.272 1
1 129 . 13 1 1 A 21 21 THR N N 21 117.730 116.550 1.180 1
1 130 . 13 1 1 A 22 22 MET H H 22 7.910 8.414 -0.504 1
1 131 . 13 1 1 A 22 22 MET HA H 22 3.537 4.195 -0.658 1
1 139 . 13 1 1 A 22 22 MET C C 22 177.099 178.716 -1.617 1
1 140 . 13 1 1 A 22 22 MET CA C 22 61.053 58.916 2.137 1
1 141 . 13 1 1 A 22 22 MET CB C 22 31.655 32.422 -0.767 1
1 144 . 13 1 1 A 22 22 MET N N 22 121.373 118.372 3.001 1
1 145 . 13 1 1 A 23 23 LYS H H 23 8.663 8.094 0.569 1
1 146 . 13 1 1 A 23 23 LYS HA H 23 4.037 4.282 -0.245 1
1 155 . 13 1 1 A 23 23 LYS C C 23 180.183 179.378 0.805 1
1 156 . 13 1 1 A 23 23 LYS CA C 23 60.743 60.318 0.425 1
1 157 . 13 1 1 A 23 23 LYS CB C 23 32.386 32.595 -0.209 1
1 161 . 13 1 1 A 23 23 LYS N N 23 117.749 119.586 -1.837 1
1 162 . 13 1 1 A 24 24 SER H H 24 8.182 7.721 0.461 1
1 163 . 13 1 1 A 24 24 SER HA H 24 4.291 4.370 -0.079 1
1 166 . 13 1 1 A 24 24 SER C C 24 176.298 176.839 -0.541 1
1 167 . 13 1 1 A 24 24 SER CA C 24 61.850 61.127 0.723 1
1 168 . 13 1 1 A 24 24 SER CB C 24 62.661 63.197 -0.536 1
1 169 . 13 1 1 A 24 24 SER N N 24 115.784 114.322 1.462 1
1 170 . 13 1 1 A 25 25 TYR H H 25 7.860 7.746 0.114 1
1 171 . 13 1 1 A 25 25 TYR HA H 25 4.168 4.446 -0.278 1
1 178 . 13 1 1 A 25 25 TYR C C 25 177.731 177.965 -0.234 1
1 179 . 13 1 1 A 25 25 TYR CA C 25 62.168 61.725 0.443 1
1 180 . 13 1 1 A 25 25 TYR CB C 25 38.810 38.804 0.006 1
1 185 . 13 1 1 A 25 25 TYR N N 25 122.606 122.974 -0.368 1
1 186 . 13 1 1 A 26 26 PHE H H 26 9.057 9.006 0.051 1
1 187 . 13 1 1 A 26 26 PHE HA H 26 4.587 4.557 0.030 1
1 195 . 13 1 1 A 26 26 PHE C C 26 174.987 178.158 -3.171 1
1 196 . 13 1 1 A 26 26 PHE CA C 26 61.043 61.819 -0.776 1
1 197 . 13 1 1 A 26 26 PHE CB C 26 39.600 39.497 0.103 1
1 203 . 13 1 1 A 26 26 PHE N N 26 121.419 121.406 0.013 1
1 204 . 13 1 1 A 27 27 ALA H H 27 7.459 7.896 -0.437 1
1 205 . 13 1 1 A 27 27 ALA HA H 27 4.051 4.038 0.013 1
1 209 . 13 1 1 A 27 27 ALA C C 27 178.775 180.170 -1.395 1
1 210 . 13 1 1 A 27 27 ALA CA C 27 54.233 54.976 -0.743 1
1 211 . 13 1 1 A 27 27 ALA CB C 27 18.405 18.805 -0.400 1
1 212 . 13 1 1 A 27 27 ALA N N 27 114.718 120.955 -6.237 1
1 213 . 13 1 1 A 28 28 ILE H H 28 7.405 7.754 -0.349 1
1 214 . 13 1 1 A 28 28 ILE HA H 28 3.985 3.853 0.132 1
1 224 . 13 1 1 A 28 28 ILE C C 28 176.055 175.887 0.168 1
1 225 . 13 1 1 A 28 28 ILE CA C 28 61.603 63.478 -1.875 1
1 226 . 13 1 1 A 28 28 ILE CB C 28 39.090 38.114 0.976 1
1 230 . 13 1 1 A 28 28 ILE N N 28 115.025 115.983 -0.958 1
1 231 . 13 1 1 A 29 29 ASN H H 29 8.087 7.732 0.355 1
1 232 . 13 1 1 A 29 29 ASN HA H 29 4.511 5.014 -0.503 1
1 237 . 13 1 1 A 29 29 ASN C C 29 172.947 175.025 -2.078 1
1 238 . 13 1 1 A 29 29 ASN CA C 29 52.594 52.401 0.193 1
1 239 . 13 1 1 A 29 29 ASN CB C 29 39.402 41.053 -1.651 1
1 240 . 13 1 1 A 29 29 ASN N N 29 119.219 116.302 2.917 1
1 242 . 13 1 1 A 30 30 HIS H H 30 8.408 9.058 -0.650 1
1 243 . 13 1 1 A 30 30 HIS HA H 30 4.499 4.772 -0.273 1
1 247 . 13 1 1 A 30 30 HIS C C 30 175.472 175.836 -0.364 1
1 248 . 13 1 1 A 30 30 HIS CA C 30 55.538 58.334 -2.796 1
1 249 . 13 1 1 A 30 30 HIS CB C 30 31.578 30.369 1.209 1
1 251 . 13 1 1 A 30 30 HIS N N 30 120.962 122.546 -1.584 1
1 252 . 13 1 1 A 31 31 ASN H H 31 7.931 7.822 0.109 1
1 253 . 13 1 1 A 31 31 ASN HA H 31 5.099 4.990 0.109 1
1 258 . 13 1 1 A 31 31 ASN C C 31 170.762 174.209 -3.447 1
1 259 . 13 1 1 A 31 31 ASN CA C 31 51.130 50.778 0.352 1
1 260 . 13 1 1 A 31 31 ASN CB C 31 40.625 38.386 2.239 1
1 261 . 13 1 1 A 31 31 ASN N N 31 114.800 112.127 2.673 1
1 263 . 13 1 1 A 32 32 PRO HA H 32 4.565 4.646 -0.081 1
1 270 . 13 1 1 A 32 32 PRO C C 32 176.832 176.807 0.025 1
1 271 . 13 1 1 A 32 32 PRO CA C 32 63.120 62.519 0.601 1
1 272 . 13 1 1 A 32 32 PRO CB C 32 31.715 32.041 -0.326 1
1 275 . 13 1 1 A 33 33 ASP H H 33 8.758 8.430 0.328 1
1 276 . 13 1 1 A 33 33 ASP HA H 33 4.526 4.642 -0.116 1
1 279 . 13 1 1 A 33 33 ASP C C 33 175.667 177.606 -1.939 1
1 280 . 13 1 1 A 33 33 ASP CA C 33 51.908 54.537 -2.629 1
1 281 . 13 1 1 A 33 33 ASP CB C 33 41.113 41.995 -0.882 1
1 282 . 13 1 1 A 33 33 ASP N N 33 123.573 122.073 1.500 1
1 283 . 13 1 1 A 34 34 ALA H H 34 8.274 9.118 -0.844 1
1 284 . 13 1 1 A 34 34 ALA HA H 34 3.914 3.958 -0.044 1
1 288 . 13 1 1 A 34 34 ALA C C 34 180.742 179.659 1.083 1
1 289 . 13 1 1 A 34 34 ALA CA C 34 56.073 55.829 0.244 1
1 290 . 13 1 1 A 34 34 ALA CB C 34 18.510 18.032 0.478 1
1 291 . 13 1 1 A 34 34 ALA N N 34 119.222 124.719 -5.497 1
1 292 . 13 1 1 A 35 35 LYS H H 35 7.931 8.092 -0.161 1
1 293 . 13 1 1 A 35 35 LYS HA H 35 4.019 3.878 0.141 1
1 302 . 13 1 1 A 35 35 LYS C C 35 179.430 178.069 1.361 1
1 303 . 13 1 1 A 35 35 LYS CA C 35 59.485 59.689 -0.204 1
1 304 . 13 1 1 A 35 35 LYS CB C 35 31.535 32.253 -0.718 1
1 308 . 13 1 1 A 35 35 LYS N N 35 119.343 118.279 1.064 1
1 309 . 13 1 1 A 36 36 ASP H H 36 8.611 7.958 0.653 1
1 310 . 13 1 1 A 36 36 ASP HA H 36 4.408 4.354 0.054 1
1 313 . 13 1 1 A 36 36 ASP C C 36 179.479 178.764 0.715 1
1 314 . 13 1 1 A 36 36 ASP CA C 36 57.090 56.599 0.491 1
1 315 . 13 1 1 A 36 36 ASP CB C 36 39.930 40.500 -0.570 1
1 316 . 13 1 1 A 36 36 ASP N N 36 123.478 119.497 3.981 1
1 317 . 13 1 1 A 37 37 LEU H H 37 8.743 8.076 0.667 1
1 318 . 13 1 1 A 37 37 LEU HA H 37 3.805 3.806 -0.001 1
1 328 . 13 1 1 A 37 37 LEU C C 37 178.799 179.114 -0.315 1
1 329 . 13 1 1 A 37 37 LEU CA C 37 58.148 57.991 0.157 1
1 330 . 13 1 1 A 37 37 LEU CB C 37 42.233 41.268 0.965 1
1 334 . 13 1 1 A 37 37 LEU N N 37 120.010 119.542 0.468 1
1 335 . 13 1 1 A 38 38 LYS H H 38 7.756 8.505 -0.749 1
1 336 . 13 1 1 A 38 38 LYS HA H 38 3.956 3.984 -0.028 1
1 343 . 13 1 1 A 38 38 LYS C C 38 179.090 178.494 0.596 1
1 344 . 13 1 1 A 38 38 LYS CA C 38 59.950 59.062 0.888 1
1 345 . 13 1 1 A 38 38 LYS CB C 38 32.315 31.986 0.329 1
1 349 . 13 1 1 A 38 38 LYS N N 38 120.326 117.916 2.410 1
1 350 . 13 1 1 A 39 39 GLN H H 39 7.634 7.405 0.229 1
1 351 . 13 1 1 A 39 39 GLN HA H 39 4.156 4.058 0.098 1
1 358 . 13 1 1 A 39 39 GLN C C 39 178.896 178.983 -0.087 1
1 359 . 13 1 1 A 39 39 GLN CA C 39 58.888 58.611 0.277 1
1 360 . 13 1 1 A 39 39 GLN CB C 39 28.441 28.418 0.023 1
1 362 . 13 1 1 A 39 39 GLN N N 39 119.272 119.156 0.116 1
1 364 . 13 1 1 A 40 40 LEU H H 40 8.541 8.203 0.338 1
1 365 . 13 1 1 A 40 40 LEU HA H 40 3.848 3.908 -0.060 1
1 375 . 13 1 1 A 40 40 LEU C C 40 180.256 178.752 1.504 1
1 376 . 13 1 1 A 40 40 LEU CA C 40 57.866 57.824 0.042 1
1 377 . 13 1 1 A 40 40 LEU CB C 40 43.074 41.508 1.566 1
1 381 . 13 1 1 A 40 40 LEU N N 40 120.555 119.889 0.666 1
1 382 . 13 1 1 A 41 41 ALA H H 41 8.633 8.306 0.327 1
1 383 . 13 1 1 A 41 41 ALA HA H 41 4.032 3.944 0.088 1
1 387 . 13 1 1 A 41 41 ALA C C 41 179.722 179.431 0.291 1
1 388 . 13 1 1 A 41 41 ALA CA C 41 55.923 54.989 0.934 1
1 389 . 13 1 1 A 41 41 ALA CB C 41 17.836 18.388 -0.552 1
1 390 . 13 1 1 A 41 41 ALA N N 41 127.288 120.646 6.642 1
1 391 . 13 1 1 A 42 42 GLN H H 42 7.698 7.331 0.367 1
1 392 . 13 1 1 A 42 42 GLN HA H 42 4.034 4.251 -0.217 1
1 399 . 13 1 1 A 42 42 GLN C C 42 178.848 178.165 0.683 1
1 400 . 13 1 1 A 42 42 GLN CA C 42 58.853 58.057 0.796 1
1 401 . 13 1 1 A 42 42 GLN CB C 42 28.276 28.828 -0.552 1
1 403 . 13 1 1 A 42 42 GLN N N 42 118.543 116.926 1.617 1
1 405 . 13 1 1 A 43 43 LYS H H 43 8.099 7.605 0.494 1
1 406 . 13 1 1 A 43 43 LYS HA H 43 4.172 4.071 0.101 1
1 415 . 13 1 1 A 43 43 LYS C C 43 178.581 178.148 0.433 1
1 416 . 13 1 1 A 43 43 LYS CA C 43 58.741 58.658 0.083 1
1 417 . 13 1 1 A 43 43 LYS CB C 43 34.128 32.248 1.880 1
1 421 . 13 1 1 A 43 43 LYS N N 43 116.650 119.205 -2.555 1
1 422 . 13 1 1 A 44 44 THR H H 44 8.053 7.669 0.384 1
1 423 . 13 1 1 A 44 44 THR HA H 44 4.517 4.518 -0.001 1
1 428 . 13 1 1 A 44 44 THR C C 44 176.104 176.087 0.017 1
1 429 . 13 1 1 A 44 44 THR CA C 44 63.114 62.129 0.985 1
1 430 . 13 1 1 A 44 44 THR CB C 44 72.379 71.663 0.716 1
1 432 . 13 1 1 A 44 44 THR N N 44 105.200 107.163 -1.963 1
1 433 . 13 1 1 A 45 45 GLY H H 45 8.327 7.997 0.330 1
1 434 . 13 1 1 A 45 45 GLY HA2 H 45 3.882 3.954 -0.072 1
1 435 . 13 1 1 A 45 45 GLY HA3 H 45 4.257 3.956 0.301 1
1 436 . 13 1 1 A 45 45 GLY C C 45 174.283 174.084 0.199 1
1 437 . 13 1 1 A 45 45 GLY CA C 45 45.950 45.166 0.784 1
1 438 . 13 1 1 A 45 45 GLY N N 45 111.805 111.546 0.259 1
1 439 . 13 1 1 A 46 46 LEU H H 46 7.710 7.348 0.362 1
1 440 . 13 1 1 A 46 46 LEU HA H 46 4.692 4.447 0.245 1
1 450 . 13 1 1 A 46 46 LEU C C 46 176.249 177.411 -1.162 1
1 451 . 13 1 1 A 46 46 LEU CA C 46 53.293 54.699 -1.406 1
1 452 . 13 1 1 A 46 46 LEU CB C 46 44.084 42.538 1.546 1
1 456 . 13 1 1 A 46 46 LEU N N 46 121.162 122.597 -1.435 1
1 457 . 13 1 1 A 47 47 THR H H 47 7.718 8.722 -1.004 1
1 458 . 13 1 1 A 47 47 THR HA H 47 4.379 4.660 -0.281 1
1 463 . 13 1 1 A 47 47 THR C C 47 175.594 175.564 0.030 1
1 464 . 13 1 1 A 47 47 THR CA C 47 60.475 60.456 0.019 1
1 465 . 13 1 1 A 47 47 THR CB C 47 71.045 71.425 -0.380 1
1 467 . 13 1 1 A 47 47 THR N N 47 107.953 113.606 -5.653 1
1 468 . 13 1 1 A 48 48 LYS H H 48 8.750 8.936 -0.186 1
1 469 . 13 1 1 A 48 48 LYS HA H 48 3.788 3.948 -0.160 1
1 478 . 13 1 1 A 48 48 LYS C C 48 178.119 177.874 0.245 1
1 479 . 13 1 1 A 48 48 LYS CA C 48 60.816 60.447 0.369 1
1 480 . 13 1 1 A 48 48 LYS CB C 48 32.050 32.025 0.025 1
1 484 . 13 1 1 A 48 48 LYS N N 48 120.566 122.934 -2.368 1
1 485 . 13 1 1 A 49 49 ARG H H 49 8.274 7.654 0.620 1
1 486 . 13 1 1 A 49 49 ARG HA H 49 4.214 4.134 0.080 1
1 492 . 13 1 1 A 49 49 ARG C C 49 178.216 178.702 -0.486 1
1 493 . 13 1 1 A 49 49 ARG CA C 49 59.170 58.965 0.205 1
1 494 . 13 1 1 A 49 49 ARG CB C 49 30.181 29.922 0.259 1
1 497 . 13 1 1 A 49 49 ARG N N 49 116.915 119.781 -2.866 1
1 498 . 13 1 1 A 50 50 VAL H H 50 7.310 7.642 -0.332 1
1 499 . 13 1 1 A 50 50 VAL HA H 50 3.730 3.660 0.070 1
1 507 . 13 1 1 A 50 50 VAL C C 50 179.406 178.375 1.031 1
1 508 . 13 1 1 A 50 50 VAL CA C 50 66.576 66.842 -0.266 1
1 509 . 13 1 1 A 50 50 VAL CB C 50 31.655 31.604 0.051 1
1 512 . 13 1 1 A 50 50 VAL N N 50 119.540 119.478 0.062 1
1 513 . 13 1 1 A 51 51 LEU H H 51 8.115 8.046 0.069 1
1 514 . 13 1 1 A 51 51 LEU HA H 51 4.133 3.935 0.198 1
1 524 . 13 1 1 A 51 51 LEU C C 51 178.726 179.250 -0.524 1
1 525 . 13 1 1 A 51 51 LEU CA C 51 58.465 58.394 0.071 1
1 526 . 13 1 1 A 51 51 LEU CB C 51 43.173 41.705 1.468 1
1 530 . 13 1 1 A 51 51 LEU N N 51 120.715 119.067 1.648 1
1 531 . 13 1 1 A 52 52 GLN H H 52 8.981 8.043 0.938 1
1 532 . 13 1 1 A 52 52 GLN HA H 52 4.131 4.057 0.074 1
1 539 . 13 1 1 A 52 52 GLN C C 52 179.600 178.501 1.099 1
1 540 . 13 1 1 A 52 52 GLN CA C 52 60.226 58.697 1.529 1
1 541 . 13 1 1 A 52 52 GLN CB C 52 29.018 28.546 0.472 1
1 543 . 13 1 1 A 52 52 GLN N N 52 118.651 116.939 1.712 1
1 545 . 13 1 1 A 53 53 VAL H H 53 8.057 8.146 -0.089 1
1 546 . 13 1 1 A 53 53 VAL HA H 53 3.723 3.964 -0.241 1
1 554 . 13 1 1 A 53 53 VAL C C 53 177.755 178.371 -0.616 1
1 555 . 13 1 1 A 53 53 VAL CA C 53 66.646 66.646 0.000 1
1 556 . 13 1 1 A 53 53 VAL CB C 53 32.196 31.738 0.458 1
1 559 . 13 1 1 A 53 53 VAL N N 53 120.778 119.843 0.935 1
1 560 . 13 1 1 A 54 54 TRP H H 54 8.377 8.418 -0.041 1
1 561 . 13 1 1 A 54 54 TRP HA H 54 4.036 4.237 -0.201 1
1 570 . 13 1 1 A 54 54 TRP C C 54 180.110 178.044 2.066 1
1 571 . 13 1 1 A 54 54 TRP CA C 54 63.543 61.370 2.173 1
1 572 . 13 1 1 A 54 54 TRP CB C 54 28.771 29.939 -1.168 1
1 578 . 13 1 1 A 54 54 TRP N N 54 122.326 121.252 1.074 1
1 580 . 13 1 1 A 55 55 PHE H H 55 9.196 8.780 0.416 1
1 581 . 13 1 1 A 55 55 PHE HA H 55 3.808 4.017 -0.209 1
1 589 . 13 1 1 A 55 55 PHE C C 55 177.973 178.234 -0.261 1
1 590 . 13 1 1 A 55 55 PHE CA C 55 63.557 62.097 1.460 1
1 591 . 13 1 1 A 55 55 PHE CB C 55 39.139 38.744 0.395 1
1 597 . 13 1 1 A 55 55 PHE N N 55 118.085 117.999 0.086 1
1 598 . 13 1 1 A 56 56 GLN H H 56 8.289 8.688 -0.399 1
1 599 . 13 1 1 A 56 56 GLN HA H 56 3.992 3.956 0.036 1
1 606 . 13 1 1 A 56 56 GLN C C 56 179.212 178.963 0.249 1
1 607 . 13 1 1 A 56 56 GLN CA C 56 59.699 59.257 0.442 1
1 608 . 13 1 1 A 56 56 GLN CB C 56 28.236 28.383 -0.147 1
1 610 . 13 1 1 A 56 56 GLN N N 56 119.990 117.585 2.405 1
1 612 . 13 1 1 A 57 57 ASN H H 57 8.244 8.012 0.232 1
1 613 . 13 1 1 A 57 57 ASN HA H 57 4.341 4.343 -0.002 1
1 618 . 13 1 1 A 57 57 ASN C C 57 177.124 177.880 -0.756 1
1 619 . 13 1 1 A 57 57 ASN CA C 57 55.820 56.127 -0.307 1
1 620 . 13 1 1 A 57 57 ASN CB C 57 38.025 37.751 0.274 1
1 621 . 13 1 1 A 57 57 ASN N N 57 119.713 118.462 1.251 1
1 623 . 13 1 1 A 58 58 ALA H H 58 8.224 7.720 0.504 1
1 624 . 13 1 1 A 58 58 ALA HA H 58 3.323 3.649 -0.326 1
1 628 . 13 1 1 A 58 58 ALA C C 58 180.814 179.994 0.820 1
1 629 . 13 1 1 A 58 58 ALA CA C 58 54.712 54.985 -0.273 1
1 630 . 13 1 1 A 58 58 ALA CB C 58 16.697 17.455 -0.758 1
1 631 . 13 1 1 A 58 58 ALA N N 58 125.439 122.756 2.683 1
1 632 . 13 1 1 A 59 59 ARG H H 59 8.404 7.684 0.720 1
1 633 . 13 1 1 A 59 59 ARG HA H 59 4.009 4.199 -0.190 1
1 640 . 13 1 1 A 59 59 ARG C C 59 178.678 178.612 0.066 1
1 641 . 13 1 1 A 59 59 ARG CA C 59 60.969 59.727 1.242 1
1 642 . 13 1 1 A 59 59 ARG CB C 59 31.491 29.940 1.551 1
1 645 . 13 1 1 A 59 59 ARG N N 59 118.829 117.562 1.267 1
1 646 . 13 1 1 A 60 60 ALA H H 60 7.711 7.589 0.122 1
1 647 . 13 1 1 A 60 60 ALA HA H 60 4.162 4.054 0.108 1
1 651 . 13 1 1 A 60 60 ALA C C 60 180.086 179.112 0.974 1
1 652 . 13 1 1 A 60 60 ALA CA C 60 55.116 55.425 -0.309 1
1 653 . 13 1 1 A 60 60 ALA CB C 60 17.993 18.331 -0.338 1
1 654 . 13 1 1 A 60 60 ALA N N 60 122.099 121.682 0.417 1
1 655 . 13 1 1 A 61 61 LYS H H 61 7.845 7.790 0.055 1
1 656 . 13 1 1 A 61 61 LYS HA H 61 3.912 3.979 -0.067 1
1 665 . 13 1 1 A 61 61 LYS C C 61 177.876 178.167 -0.291 1
1 666 . 13 1 1 A 61 61 LYS CA C 61 58.699 59.600 -0.901 1
1 667 . 13 1 1 A 61 61 LYS CB C 61 32.412 32.254 0.158 1
1 671 . 13 1 1 A 61 61 LYS N N 61 118.453 118.913 -0.460 1
1 672 . 13 1 1 A 62 62 PHE H H 62 7.986 8.401 -0.415 1
1 673 . 13 1 1 A 62 62 PHE HA H 62 4.249 4.065 0.184 1
1 681 . 13 1 1 A 62 62 PHE C C 62 177.148 177.117 0.031 1
1 682 . 13 1 1 A 62 62 PHE CA C 62 60.592 62.047 -1.455 1
1 683 . 13 1 1 A 62 62 PHE CB C 62 39.439 39.224 0.215 1
1 689 . 13 1 1 A 62 62 PHE N N 62 120.207 120.355 -0.148 1
1 690 . 13 1 1 A 63 63 ARG H H 63 8.034 8.124 -0.090 1
1 691 . 13 1 1 A 63 63 ARG HA H 63 4.071 4.153 -0.082 1
1 698 . 13 1 1 A 63 63 ARG C C 63 177.342 178.927 -1.585 1
1 699 . 13 1 1 A 63 63 ARG CA C 63 58.068 59.930 -1.862 1
1 700 . 13 1 1 A 63 63 ARG CB C 63 30.282 30.056 0.226 1
1 703 . 13 1 1 A 63 63 ARG N N 63 119.257 117.575 1.682 1
1 704 . 13 1 1 A 64 64 ARG H H 64 7.956 8.065 -0.109 1
1 705 . 13 1 1 A 64 64 ARG HA H 64 4.096 4.033 0.063 1
1 712 . 13 1 1 A 64 64 ARG C C 64 177.366 178.975 -1.609 1
1 713 . 13 1 1 A 64 64 ARG CA C 64 57.971 59.484 -1.513 1
1 714 . 13 1 1 A 64 64 ARG CB C 64 30.419 30.075 0.344 1
1 717 . 13 1 1 A 64 64 ARG N N 64 119.492 119.672 -0.180 1
1 718 . 13 1 1 A 65 65 ASN H H 65 8.042 8.111 -0.069 1
1 719 . 13 1 1 A 65 65 ASN HA H 65 4.537 4.444 0.093 1
1 724 . 13 1 1 A 65 65 ASN C C 65 176.152 178.062 -1.910 1
1 725 . 13 1 1 A 65 65 ASN CA C 65 54.348 56.233 -1.885 1
1 726 . 13 1 1 A 65 65 ASN CB C 65 38.466 37.684 0.782 1
1 727 . 13 1 1 A 65 65 ASN N N 65 117.555 117.897 -0.342 1
1 729 . 13 1 1 A 66 66 LEU H H 66 7.777 8.027 -0.250 1
1 730 . 13 1 1 A 66 66 LEU HA H 66 4.140 4.116 0.024 1
1 740 . 13 1 1 A 66 66 LEU C C 66 177.779 178.334 -0.555 1
1 741 . 13 1 1 A 66 66 LEU CA C 66 56.138 57.971 -1.833 1
1 742 . 13 1 1 A 66 66 LEU CB C 66 42.160 41.996 0.164 1
1 746 . 13 1 1 A 66 66 LEU N N 66 121.103 121.356 -0.253 1
1 747 . 13 1 1 A 67 67 LEU H H 67 7.861 8.277 -0.416 1
1 748 . 13 1 1 A 67 67 LEU HA H 67 4.252 4.103 0.149 1
1 758 . 13 1 1 A 67 67 LEU C C 67 177.245 176.239 1.006 1
1 759 . 13 1 1 A 67 67 LEU CA C 67 55.445 57.500 -2.055 1
1 760 . 13 1 1 A 67 67 LEU CB C 67 42.122 41.302 0.820 1
1 764 . 13 1 1 A 67 67 LEU N N 67 120.121 116.012 4.109 1
1 765 . 13 1 1 A 68 68 ARG H H 68 7.963 8.018 -0.055 1
1 766 . 13 1 1 A 68 68 ARG HA H 68 4.265 4.640 -0.375 1
1 773 . 13 1 1 A 68 68 ARG C C 68 175.934 174.756 1.178 1
1 774 . 13 1 1 A 68 68 ARG CA C 68 56.208 54.703 1.505 1
1 775 . 13 1 1 A 68 68 ARG CB C 68 30.839 31.338 -0.499 1
1 778 . 13 1 1 A 68 68 ARG N N 68 120.189 120.319 -0.130 1
1 779 . 13 1 1 A 69 69 GLN H H 69 8.303 8.528 -0.225 1
1 780 . 13 1 1 A 69 69 GLN HA H 69 4.320 4.490 -0.170 1
1 787 . 13 1 1 A 69 69 GLN C C 69 175.740 175.300 0.440 1
1 788 . 13 1 1 A 69 69 GLN CA C 69 55.891 55.978 -0.087 1
1 789 . 13 1 1 A 69 69 GLN CB C 69 29.556 28.194 1.362 1
1 791 . 13 1 1 A 69 69 GLN N N 69 121.097 126.135 -5.038 1
1 793 . 13 1 1 A 70 70 GLU H H 70 8.391 8.360 0.031 1
1 794 . 13 1 1 A 70 70 GLU HA H 70 4.290 4.505 -0.215 1
1 799 . 13 1 1 A 70 70 GLU C C 70 175.254 175.025 0.229 1
1 800 . 13 1 1 A 70 70 GLU CA C 70 56.490 56.032 0.458 1
1 801 . 13 1 1 A 70 70 GLU CB C 70 30.636 32.802 -2.166 1
1 803 . 13 1 1 A 70 70 GLU N N 70 122.138 124.278 -2.140 1
1 804 . 13 1 1 A 71 71 ASN H H 71 8.095 8.741 -0.646 1
1 805 . 13 1 1 A 71 71 ASN HA H 71 4.462 4.219 0.243 1
1 810 . 13 1 1 A 71 71 ASN C C 71 179.333 174.677 4.656 1
1 811 . 13 1 1 A 71 71 ASN CA C 71 55.009 54.243 0.766 1
1 812 . 13 1 1 A 71 71 ASN CB C 71 41.051 37.191 3.860 1
1 813 . 13 1 1 A 71 71 ASN N N 71 124.912 121.276 3.636 1
1 815 . 13 1 1 A 72 72 GLY HA2 H 72 3.944 4.143 -0.199 1
1 816 . 13 1 1 A 72 72 GLY HA3 H 72 3.872 4.148 -0.276 1
1 817 . 13 1 1 A 72 72 GLY C C 72 175.060 172.916 2.144 1
1 818 . 13 1 1 A 72 72 GLY CA C 72 45.579 45.078 0.501 1
1 819 . 13 1 1 A 73 73 GLY H H 73 8.416 8.475 -0.059 1
1 820 . 13 1 1 A 73 73 GLY HA2 H 73 3.947 4.139 -0.192 1
1 821 . 13 1 1 A 73 73 GLY HA3 H 73 3.947 4.140 -0.193 1
1 822 . 13 1 1 A 73 73 GLY C C 73 174.356 172.748 1.608 1
1 823 . 13 1 1 A 73 73 GLY CA C 73 45.280 45.529 -0.249 1
1 824 . 13 1 1 A 73 73 GLY N N 73 108.960 107.670 1.290 1
1 825 . 13 1 1 A 74 74 VAL H H 74 8.059 8.781 -0.722 1
1 826 . 13 1 1 A 74 74 VAL HA H 74 4.181 3.959 0.222 1
1 834 . 13 1 1 A 74 74 VAL C C 74 176.419 176.933 -0.514 1
1 835 . 13 1 1 A 74 74 VAL CA C 74 62.309 62.861 -0.552 1
1 836 . 13 1 1 A 74 74 VAL CB C 74 32.843 31.854 0.989 1
1 839 . 13 1 1 A 74 74 VAL N N 74 118.980 125.836 -6.856 1
1 840 . 13 1 1 A 75 75 SER H H 75 8.430 8.478 -0.048 1
1 841 . 13 1 1 A 75 75 SER HA H 75 4.493 4.793 -0.300 1
1 844 . 13 1 1 A 75 75 SER C C 75 174.525 174.146 0.379 1
1 845 . 13 1 1 A 75 75 SER CA C 75 58.349 57.679 0.670 1
1 846 . 13 1 1 A 75 75 SER CB C 75 63.880 65.302 -1.422 1
1 847 . 13 1 1 A 75 75 SER N N 75 119.288 119.615 -0.327 1
1 848 . 13 1 1 A 76 76 GLY H H 76 8.206 8.285 -0.079 1
1 849 . 13 1 1 A 76 76 GLY C C 76 171.757 171.805 -0.048 1
1 850 . 13 1 1 A 76 76 GLY CA C 76 44.642 45.742 -1.100 1
1 851 . 13 1 1 A 76 76 GLY N N 76 110.769 107.202 3.567 1
1 852 . 13 1 1 A 79 79 SER HA H 79 4.474 5.474 -1.000 1
1 855 . 13 1 1 A 79 79 SER C C 79 173.918 174.112 -0.194 1
1 856 . 13 1 1 A 79 79 SER CA C 79 58.430 57.058 1.372 1
1 857 . 13 1 1 A 79 79 SER CB C 79 64.045 66.761 -2.716 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.959 4.130 -0.171 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.959 4.132 -0.173 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.210 172.777 1.433 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.270 45.199 0.071 1
1 5 . 14 1 1 A 8 8 LYS H H 8 7.993 8.700 -0.707 1
1 6 . 14 1 1 A 8 8 LYS C C 8 176.347 176.388 -0.041 1
1 7 . 14 1 1 A 8 8 LYS CA C 8 62.168 55.273 6.895 1
1 8 . 14 1 1 A 8 8 LYS CB C 8 32.974 34.025 -1.051 1
1 9 . 14 1 1 A 8 8 LYS N N 8 118.865 117.204 1.661 1
1 10 . 14 1 1 A 12 12 THR HA H 12 4.227 4.846 -0.619 1
1 15 . 14 1 1 A 12 12 THR CA C 12 61.902 59.969 1.933 1
1 16 . 14 1 1 A 12 12 THR CB C 12 69.926 71.673 -1.747 1
1 18 . 14 1 1 A 13 13 SER HA H 13 4.401 4.807 -0.406 1
1 21 . 14 1 1 A 13 13 SER C C 13 173.627 173.298 0.329 1
1 22 . 14 1 1 A 13 13 SER CA C 13 57.513 58.248 -0.735 1
1 23 . 14 1 1 A 13 13 SER CB C 13 63.880 64.563 -0.683 1
1 24 . 14 1 1 A 14 14 PHE H H 14 8.197 8.926 -0.729 1
1 25 . 14 1 1 A 14 14 PHE HA H 14 4.701 4.926 -0.225 1
1 33 . 14 1 1 A 14 14 PHE C C 14 176.177 175.747 0.430 1
1 34 . 14 1 1 A 14 14 PHE CA C 14 57.539 57.090 0.449 1
1 35 . 14 1 1 A 14 14 PHE CB C 14 41.041 42.324 -1.283 1
1 41 . 14 1 1 A 14 14 PHE N N 14 121.084 123.319 -2.235 1
1 42 . 14 1 1 A 15 15 LYS H H 15 8.548 8.798 -0.250 1
1 43 . 14 1 1 A 15 15 LYS HA H 15 4.449 4.716 -0.267 1
1 51 . 14 1 1 A 15 15 LYS C C 15 178.532 177.732 0.800 1
1 52 . 14 1 1 A 15 15 LYS CA C 15 55.291 54.816 0.475 1
1 53 . 14 1 1 A 15 15 LYS CB C 15 33.993 34.150 -0.157 1
1 57 . 14 1 1 A 15 15 LYS N N 15 120.600 119.813 0.787 1
1 58 . 14 1 1 A 16 16 HIS HA H 16 4.238 4.338 -0.100 1
1 62 . 14 1 1 A 16 16 HIS CA C 16 60.805 58.957 1.848 1
1 63 . 14 1 1 A 16 16 HIS CB C 16 30.416 30.615 -0.199 1
1 65 . 14 1 1 A 17 17 HIS HA H 17 4.218 4.178 0.040 1
1 69 . 14 1 1 A 17 17 HIS C C 17 177.731 176.914 0.817 1
1 70 . 14 1 1 A 17 17 HIS CA C 17 58.994 59.194 -0.200 1
1 71 . 14 1 1 A 17 17 HIS CB C 17 29.627 28.663 0.964 1
1 73 . 14 1 1 A 18 18 GLN H H 18 6.563 7.631 -1.068 1
1 74 . 14 1 1 A 18 18 GLN HA H 18 3.747 3.974 -0.227 1
1 81 . 14 1 1 A 18 18 GLN C C 18 177.051 178.025 -0.974 1
1 82 . 14 1 1 A 18 18 GLN CA C 18 58.148 58.437 -0.289 1
1 83 . 14 1 1 A 18 18 GLN CB C 18 27.752 28.408 -0.656 1
1 85 . 14 1 1 A 18 18 GLN N N 18 119.371 117.559 1.812 1
1 87 . 14 1 1 A 19 19 LEU H H 19 7.532 8.053 -0.521 1
1 88 . 14 1 1 A 19 19 LEU HA H 19 3.570 3.591 -0.021 1
1 98 . 14 1 1 A 19 19 LEU C C 19 178.362 178.758 -0.396 1
1 99 . 14 1 1 A 19 19 LEU CA C 19 57.464 57.736 -0.272 1
1 100 . 14 1 1 A 19 19 LEU CB C 19 42.092 41.405 0.687 1
1 104 . 14 1 1 A 19 19 LEU N N 19 118.862 120.205 -1.343 1
1 105 . 14 1 1 A 20 20 ARG H H 20 8.168 8.486 -0.318 1
1 106 . 14 1 1 A 20 20 ARG HA H 20 3.899 3.933 -0.034 1
1 113 . 14 1 1 A 20 20 ARG C C 20 179.358 178.473 0.885 1
1 114 . 14 1 1 A 20 20 ARG CA C 20 59.641 59.213 0.428 1
1 115 . 14 1 1 A 20 20 ARG CB C 20 29.869 30.070 -0.201 1
1 118 . 14 1 1 A 20 20 ARG N N 20 118.228 119.829 -1.601 1
1 119 . 14 1 1 A 21 21 THR H H 21 7.592 7.654 -0.062 1
1 120 . 14 1 1 A 21 21 THR HA H 21 3.854 3.936 -0.082 1
1 125 . 14 1 1 A 21 21 THR C C 21 176.662 176.717 -0.055 1
1 126 . 14 1 1 A 21 21 THR CA C 21 66.646 66.997 -0.351 1
1 127 . 14 1 1 A 21 21 THR CB C 21 68.271 68.426 -0.155 1
1 129 . 14 1 1 A 21 21 THR N N 21 117.730 116.445 1.285 1
1 130 . 14 1 1 A 22 22 MET H H 22 7.910 7.722 0.188 1
1 131 . 14 1 1 A 22 22 MET HA H 22 3.537 4.051 -0.514 1
1 139 . 14 1 1 A 22 22 MET C C 22 177.099 178.711 -1.612 1
1 140 . 14 1 1 A 22 22 MET CA C 22 61.053 58.879 2.174 1
1 141 . 14 1 1 A 22 22 MET CB C 22 31.655 31.935 -0.280 1
1 144 . 14 1 1 A 22 22 MET N N 22 121.373 117.979 3.394 1
1 145 . 14 1 1 A 23 23 LYS H H 23 8.663 8.293 0.370 1
1 146 . 14 1 1 A 23 23 LYS HA H 23 4.037 4.204 -0.167 1
1 155 . 14 1 1 A 23 23 LYS C C 23 180.183 179.257 0.926 1
1 156 . 14 1 1 A 23 23 LYS CA C 23 60.743 60.247 0.496 1
1 157 . 14 1 1 A 23 23 LYS CB C 23 32.386 32.331 0.055 1
1 161 . 14 1 1 A 23 23 LYS N N 23 117.749 120.541 -2.792 1
1 162 . 14 1 1 A 24 24 SER H H 24 8.182 8.021 0.161 1
1 163 . 14 1 1 A 24 24 SER HA H 24 4.291 4.269 0.022 1
1 166 . 14 1 1 A 24 24 SER C C 24 176.298 176.391 -0.093 1
1 167 . 14 1 1 A 24 24 SER CA C 24 61.850 62.403 -0.553 1
1 168 . 14 1 1 A 24 24 SER CB C 24 62.661 62.953 -0.292 1
1 169 . 14 1 1 A 24 24 SER N N 24 115.784 115.996 -0.212 1
1 170 . 14 1 1 A 25 25 TYR H H 25 7.860 8.011 -0.151 1
1 171 . 14 1 1 A 25 25 TYR HA H 25 4.168 4.402 -0.234 1
1 178 . 14 1 1 A 25 25 TYR C C 25 177.731 177.686 0.045 1
1 179 . 14 1 1 A 25 25 TYR CA C 25 62.168 61.944 0.224 1
1 180 . 14 1 1 A 25 25 TYR CB C 25 38.810 38.692 0.118 1
1 185 . 14 1 1 A 25 25 TYR N N 25 122.606 123.029 -0.423 1
1 186 . 14 1 1 A 26 26 PHE H H 26 9.057 8.695 0.362 1
1 187 . 14 1 1 A 26 26 PHE HA H 26 4.587 4.561 0.026 1
1 195 . 14 1 1 A 26 26 PHE C C 26 174.987 177.995 -3.008 1
1 196 . 14 1 1 A 26 26 PHE CA C 26 61.043 61.916 -0.873 1
1 197 . 14 1 1 A 26 26 PHE CB C 26 39.600 39.551 0.049 1
1 203 . 14 1 1 A 26 26 PHE N N 26 121.419 121.384 0.035 1
1 204 . 14 1 1 A 27 27 ALA H H 27 7.459 8.024 -0.565 1
1 205 . 14 1 1 A 27 27 ALA HA H 27 4.051 4.027 0.024 1
1 209 . 14 1 1 A 27 27 ALA C C 27 178.775 179.977 -1.202 1
1 210 . 14 1 1 A 27 27 ALA CA C 27 54.233 55.064 -0.831 1
1 211 . 14 1 1 A 27 27 ALA CB C 27 18.405 18.495 -0.090 1
1 212 . 14 1 1 A 27 27 ALA N N 27 114.718 121.264 -6.546 1
1 213 . 14 1 1 A 28 28 ILE H H 28 7.405 7.536 -0.131 1
1 214 . 14 1 1 A 28 28 ILE HA H 28 3.985 3.763 0.222 1
1 224 . 14 1 1 A 28 28 ILE C C 28 176.055 176.013 0.042 1
1 225 . 14 1 1 A 28 28 ILE CA C 28 61.603 63.684 -2.081 1
1 226 . 14 1 1 A 28 28 ILE CB C 28 39.090 38.003 1.087 1
1 230 . 14 1 1 A 28 28 ILE N N 28 115.025 115.694 -0.669 1
1 231 . 14 1 1 A 29 29 ASN H H 29 8.087 7.841 0.246 1
1 232 . 14 1 1 A 29 29 ASN HA H 29 4.511 4.679 -0.168 1
1 237 . 14 1 1 A 29 29 ASN C C 29 172.947 175.140 -2.193 1
1 238 . 14 1 1 A 29 29 ASN CA C 29 52.594 52.304 0.290 1
1 239 . 14 1 1 A 29 29 ASN CB C 29 39.402 40.467 -1.065 1
1 240 . 14 1 1 A 29 29 ASN N N 29 119.219 116.365 2.854 1
1 242 . 14 1 1 A 30 30 HIS H H 30 8.408 8.418 -0.010 1
1 243 . 14 1 1 A 30 30 HIS HA H 30 4.499 4.567 -0.068 1
1 247 . 14 1 1 A 30 30 HIS C C 30 175.472 176.025 -0.553 1
1 248 . 14 1 1 A 30 30 HIS CA C 30 55.538 58.752 -3.214 1
1 249 . 14 1 1 A 30 30 HIS CB C 30 31.578 30.220 1.358 1
1 251 . 14 1 1 A 30 30 HIS N N 30 120.962 122.995 -2.033 1
1 252 . 14 1 1 A 31 31 ASN H H 31 7.931 7.874 0.057 1
1 253 . 14 1 1 A 31 31 ASN HA H 31 5.099 4.973 0.126 1
1 258 . 14 1 1 A 31 31 ASN C C 31 170.762 173.938 -3.176 1
1 259 . 14 1 1 A 31 31 ASN CA C 31 51.130 50.874 0.256 1
1 260 . 14 1 1 A 31 31 ASN CB C 31 40.625 38.333 2.292 1
1 261 . 14 1 1 A 31 31 ASN N N 31 114.800 112.470 2.330 1
1 263 . 14 1 1 A 32 32 PRO HA H 32 4.565 4.678 -0.113 1
1 270 . 14 1 1 A 32 32 PRO C C 32 176.832 175.460 1.372 1
1 271 . 14 1 1 A 32 32 PRO CA C 32 63.120 62.618 0.502 1
1 272 . 14 1 1 A 32 32 PRO CB C 32 31.715 32.349 -0.634 1
1 275 . 14 1 1 A 33 33 ASP H H 33 8.758 8.126 0.632 1
1 276 . 14 1 1 A 33 33 ASP HA H 33 4.526 5.032 -0.506 1
1 279 . 14 1 1 A 33 33 ASP C C 33 175.667 177.542 -1.875 1
1 280 . 14 1 1 A 33 33 ASP CA C 33 51.908 52.526 -0.618 1
1 281 . 14 1 1 A 33 33 ASP CB C 33 41.113 42.697 -1.584 1
1 282 . 14 1 1 A 33 33 ASP N N 33 123.573 120.806 2.767 1
1 283 . 14 1 1 A 34 34 ALA H H 34 8.274 8.946 -0.672 1
1 284 . 14 1 1 A 34 34 ALA HA H 34 3.914 3.961 -0.047 1
1 288 . 14 1 1 A 34 34 ALA C C 34 180.742 179.592 1.150 1
1 289 . 14 1 1 A 34 34 ALA CA C 34 56.073 55.735 0.338 1
1 290 . 14 1 1 A 34 34 ALA CB C 34 18.510 18.313 0.197 1
1 291 . 14 1 1 A 34 34 ALA N N 34 119.222 123.526 -4.304 1
1 292 . 14 1 1 A 35 35 LYS H H 35 7.931 8.201 -0.270 1
1 293 . 14 1 1 A 35 35 LYS HA H 35 4.019 3.881 0.138 1
1 302 . 14 1 1 A 35 35 LYS C C 35 179.430 178.749 0.681 1
1 303 . 14 1 1 A 35 35 LYS CA C 35 59.485 59.883 -0.398 1
1 304 . 14 1 1 A 35 35 LYS CB C 35 31.535 31.971 -0.436 1
1 308 . 14 1 1 A 35 35 LYS N N 35 119.343 117.911 1.432 1
1 309 . 14 1 1 A 36 36 ASP H H 36 8.611 8.299 0.312 1
1 310 . 14 1 1 A 36 36 ASP HA H 36 4.408 4.404 0.004 1
1 313 . 14 1 1 A 36 36 ASP C C 36 179.479 178.741 0.738 1
1 314 . 14 1 1 A 36 36 ASP CA C 36 57.090 56.810 0.280 1
1 315 . 14 1 1 A 36 36 ASP CB C 36 39.930 40.921 -0.991 1
1 316 . 14 1 1 A 36 36 ASP N N 36 123.478 120.049 3.429 1
1 317 . 14 1 1 A 37 37 LEU H H 37 8.743 8.248 0.495 1
1 318 . 14 1 1 A 37 37 LEU HA H 37 3.805 3.720 0.085 1
1 328 . 14 1 1 A 37 37 LEU C C 37 178.799 178.807 -0.008 1
1 329 . 14 1 1 A 37 37 LEU CA C 37 58.148 57.938 0.210 1
1 330 . 14 1 1 A 37 37 LEU CB C 37 42.233 41.447 0.786 1
1 334 . 14 1 1 A 37 37 LEU N N 37 120.010 120.960 -0.950 1
1 335 . 14 1 1 A 38 38 LYS H H 38 7.756 8.471 -0.715 1
1 336 . 14 1 1 A 38 38 LYS HA H 38 3.956 4.041 -0.085 1
1 343 . 14 1 1 A 38 38 LYS C C 38 179.090 178.403 0.687 1
1 344 . 14 1 1 A 38 38 LYS CA C 38 59.950 58.975 0.975 1
1 345 . 14 1 1 A 38 38 LYS CB C 38 32.315 31.924 0.391 1
1 349 . 14 1 1 A 38 38 LYS N N 38 120.326 117.672 2.654 1
1 350 . 14 1 1 A 39 39 GLN H H 39 7.634 7.757 -0.123 1
1 351 . 14 1 1 A 39 39 GLN HA H 39 4.156 4.082 0.074 1
1 358 . 14 1 1 A 39 39 GLN C C 39 178.896 178.930 -0.034 1
1 359 . 14 1 1 A 39 39 GLN CA C 39 58.888 58.403 0.485 1
1 360 . 14 1 1 A 39 39 GLN CB C 39 28.441 28.505 -0.064 1
1 362 . 14 1 1 A 39 39 GLN N N 39 119.272 118.922 0.350 1
1 364 . 14 1 1 A 40 40 LEU H H 40 8.541 8.031 0.510 1
1 365 . 14 1 1 A 40 40 LEU HA H 40 3.848 3.981 -0.133 1
1 375 . 14 1 1 A 40 40 LEU C C 40 180.256 178.895 1.361 1
1 376 . 14 1 1 A 40 40 LEU CA C 40 57.866 57.840 0.026 1
1 377 . 14 1 1 A 40 40 LEU CB C 40 43.074 41.172 1.902 1
1 381 . 14 1 1 A 40 40 LEU N N 40 120.555 119.753 0.802 1
1 382 . 14 1 1 A 41 41 ALA H H 41 8.633 8.551 0.082 1
1 383 . 14 1 1 A 41 41 ALA HA H 41 4.032 3.932 0.100 1
1 387 . 14 1 1 A 41 41 ALA C C 41 179.722 179.602 0.120 1
1 388 . 14 1 1 A 41 41 ALA CA C 41 55.923 55.333 0.590 1
1 389 . 14 1 1 A 41 41 ALA CB C 41 17.836 18.265 -0.429 1
1 390 . 14 1 1 A 41 41 ALA N N 41 127.288 120.959 6.329 1
1 391 . 14 1 1 A 42 42 GLN H H 42 7.698 7.668 0.030 1
1 392 . 14 1 1 A 42 42 GLN HA H 42 4.034 4.223 -0.189 1
1 399 . 14 1 1 A 42 42 GLN C C 42 178.848 178.179 0.669 1
1 400 . 14 1 1 A 42 42 GLN CA C 42 58.853 58.444 0.409 1
1 401 . 14 1 1 A 42 42 GLN CB C 42 28.276 28.689 -0.413 1
1 403 . 14 1 1 A 42 42 GLN N N 42 118.543 117.799 0.744 1
1 405 . 14 1 1 A 43 43 LYS H H 43 8.099 7.957 0.142 1
1 406 . 14 1 1 A 43 43 LYS HA H 43 4.172 4.087 0.085 1
1 415 . 14 1 1 A 43 43 LYS C C 43 178.581 178.029 0.552 1
1 416 . 14 1 1 A 43 43 LYS CA C 43 58.741 59.016 -0.275 1
1 417 . 14 1 1 A 43 43 LYS CB C 43 34.128 32.576 1.552 1
1 421 . 14 1 1 A 43 43 LYS N N 43 116.650 119.110 -2.460 1
1 422 . 14 1 1 A 44 44 THR H H 44 8.053 7.855 0.198 1
1 423 . 14 1 1 A 44 44 THR HA H 44 4.517 4.565 -0.048 1
1 428 . 14 1 1 A 44 44 THR C C 44 176.104 175.973 0.131 1
1 429 . 14 1 1 A 44 44 THR CA C 44 63.114 62.304 0.810 1
1 430 . 14 1 1 A 44 44 THR CB C 44 72.379 71.545 0.834 1
1 432 . 14 1 1 A 44 44 THR N N 44 105.200 107.891 -2.691 1
1 433 . 14 1 1 A 45 45 GLY H H 45 8.327 8.522 -0.195 1
1 434 . 14 1 1 A 45 45 GLY HA2 H 45 3.882 3.967 -0.085 1
1 435 . 14 1 1 A 45 45 GLY HA3 H 45 4.257 3.979 0.278 1
1 436 . 14 1 1 A 45 45 GLY C C 45 174.283 174.351 -0.068 1
1 437 . 14 1 1 A 45 45 GLY CA C 45 45.950 44.978 0.972 1
1 438 . 14 1 1 A 45 45 GLY N N 45 111.805 111.188 0.617 1
1 439 . 14 1 1 A 46 46 LEU H H 46 7.710 7.486 0.224 1
1 440 . 14 1 1 A 46 46 LEU HA H 46 4.692 4.369 0.323 1
1 450 . 14 1 1 A 46 46 LEU C C 46 176.249 177.247 -0.998 1
1 451 . 14 1 1 A 46 46 LEU CA C 46 53.293 55.096 -1.803 1
1 452 . 14 1 1 A 46 46 LEU CB C 46 44.084 42.401 1.683 1
1 456 . 14 1 1 A 46 46 LEU N N 46 121.162 122.569 -1.407 1
1 457 . 14 1 1 A 47 47 THR H H 47 7.718 8.679 -0.961 1
1 458 . 14 1 1 A 47 47 THR HA H 47 4.379 4.670 -0.291 1
1 463 . 14 1 1 A 47 47 THR C C 47 175.594 175.533 0.061 1
1 464 . 14 1 1 A 47 47 THR CA C 47 60.475 60.517 -0.042 1
1 465 . 14 1 1 A 47 47 THR CB C 47 71.045 71.427 -0.382 1
1 467 . 14 1 1 A 47 47 THR N N 47 107.953 113.812 -5.859 1
1 468 . 14 1 1 A 48 48 LYS H H 48 8.750 8.952 -0.202 1
1 469 . 14 1 1 A 48 48 LYS HA H 48 3.788 3.939 -0.151 1
1 478 . 14 1 1 A 48 48 LYS C C 48 178.119 178.135 -0.016 1
1 479 . 14 1 1 A 48 48 LYS CA C 48 60.816 60.038 0.778 1
1 480 . 14 1 1 A 48 48 LYS CB C 48 32.050 32.181 -0.131 1
1 484 . 14 1 1 A 48 48 LYS N N 48 120.566 122.872 -2.306 1
1 485 . 14 1 1 A 49 49 ARG H H 49 8.274 7.726 0.548 1
1 486 . 14 1 1 A 49 49 ARG HA H 49 4.214 4.131 0.083 1
1 492 . 14 1 1 A 49 49 ARG C C 49 178.216 178.478 -0.262 1
1 493 . 14 1 1 A 49 49 ARG CA C 49 59.170 58.871 0.299 1
1 494 . 14 1 1 A 49 49 ARG CB C 49 30.181 29.744 0.437 1
1 497 . 14 1 1 A 49 49 ARG N N 49 116.915 119.233 -2.318 1
1 498 . 14 1 1 A 50 50 VAL H H 50 7.310 7.708 -0.398 1
1 499 . 14 1 1 A 50 50 VAL HA H 50 3.730 3.725 0.005 1
1 507 . 14 1 1 A 50 50 VAL C C 50 179.406 178.463 0.943 1
1 508 . 14 1 1 A 50 50 VAL CA C 50 66.576 66.856 -0.280 1
1 509 . 14 1 1 A 50 50 VAL CB C 50 31.655 31.662 -0.007 1
1 512 . 14 1 1 A 50 50 VAL N N 50 119.540 119.490 0.050 1
1 513 . 14 1 1 A 51 51 LEU H H 51 8.115 8.004 0.111 1
1 514 . 14 1 1 A 51 51 LEU HA H 51 4.133 3.960 0.173 1
1 524 . 14 1 1 A 51 51 LEU C C 51 178.726 179.102 -0.376 1
1 525 . 14 1 1 A 51 51 LEU CA C 51 58.465 58.483 -0.018 1
1 526 . 14 1 1 A 51 51 LEU CB C 51 43.173 41.827 1.346 1
1 530 . 14 1 1 A 51 51 LEU N N 51 120.715 118.871 1.844 1
1 531 . 14 1 1 A 52 52 GLN H H 52 8.981 8.307 0.674 1
1 532 . 14 1 1 A 52 52 GLN HA H 52 4.131 4.036 0.095 1
1 539 . 14 1 1 A 52 52 GLN C C 52 179.600 178.852 0.748 1
1 540 . 14 1 1 A 52 52 GLN CA C 52 60.226 58.862 1.364 1
1 541 . 14 1 1 A 52 52 GLN CB C 52 29.018 28.485 0.533 1
1 543 . 14 1 1 A 52 52 GLN N N 52 118.651 116.665 1.986 1
1 545 . 14 1 1 A 53 53 VAL H H 53 8.057 8.493 -0.436 1
1 546 . 14 1 1 A 53 53 VAL HA H 53 3.723 3.695 0.028 1
1 554 . 14 1 1 A 53 53 VAL C C 53 177.755 178.277 -0.522 1
1 555 . 14 1 1 A 53 53 VAL CA C 53 66.646 66.822 -0.176 1
1 556 . 14 1 1 A 53 53 VAL CB C 53 32.196 31.711 0.485 1
1 559 . 14 1 1 A 53 53 VAL N N 53 120.778 120.062 0.716 1
1 560 . 14 1 1 A 54 54 TRP H H 54 8.377 8.386 -0.009 1
1 561 . 14 1 1 A 54 54 TRP HA H 54 4.036 4.138 -0.102 1
1 570 . 14 1 1 A 54 54 TRP C C 54 180.110 178.074 2.036 1
1 571 . 14 1 1 A 54 54 TRP CA C 54 63.543 61.274 2.269 1
1 572 . 14 1 1 A 54 54 TRP CB C 54 28.771 29.559 -0.788 1
1 578 . 14 1 1 A 54 54 TRP N N 54 122.326 121.422 0.904 1
1 580 . 14 1 1 A 55 55 PHE H H 55 9.196 8.747 0.449 1
1 581 . 14 1 1 A 55 55 PHE HA H 55 3.808 4.029 -0.221 1
1 589 . 14 1 1 A 55 55 PHE C C 55 177.973 178.242 -0.269 1
1 590 . 14 1 1 A 55 55 PHE CA C 55 63.557 61.740 1.817 1
1 591 . 14 1 1 A 55 55 PHE CB C 55 39.139 39.076 0.063 1
1 597 . 14 1 1 A 55 55 PHE N N 55 118.085 117.992 0.093 1
1 598 . 14 1 1 A 56 56 GLN H H 56 8.289 8.469 -0.180 1
1 599 . 14 1 1 A 56 56 GLN HA H 56 3.992 3.933 0.059 1
1 606 . 14 1 1 A 56 56 GLN C C 56 179.212 178.691 0.521 1
1 607 . 14 1 1 A 56 56 GLN CA C 56 59.699 59.320 0.379 1
1 608 . 14 1 1 A 56 56 GLN CB C 56 28.236 28.048 0.188 1
1 610 . 14 1 1 A 56 56 GLN N N 56 119.990 117.382 2.608 1
1 612 . 14 1 1 A 57 57 ASN H H 57 8.244 8.406 -0.162 1
1 613 . 14 1 1 A 57 57 ASN HA H 57 4.341 4.429 -0.088 1
1 618 . 14 1 1 A 57 57 ASN C C 57 177.124 177.793 -0.669 1
1 619 . 14 1 1 A 57 57 ASN CA C 57 55.820 56.090 -0.270 1
1 620 . 14 1 1 A 57 57 ASN CB C 57 38.025 37.796 0.229 1
1 621 . 14 1 1 A 57 57 ASN N N 57 119.713 117.820 1.893 1
1 623 . 14 1 1 A 58 58 ALA H H 58 8.224 7.590 0.634 1
1 624 . 14 1 1 A 58 58 ALA HA H 58 3.323 3.651 -0.328 1
1 628 . 14 1 1 A 58 58 ALA C C 58 180.814 179.926 0.888 1
1 629 . 14 1 1 A 58 58 ALA CA C 58 54.712 54.837 -0.125 1
1 630 . 14 1 1 A 58 58 ALA CB C 58 16.697 17.695 -0.998 1
1 631 . 14 1 1 A 58 58 ALA N N 58 125.439 122.512 2.927 1
1 632 . 14 1 1 A 59 59 ARG H H 59 8.404 7.786 0.618 1
1 633 . 14 1 1 A 59 59 ARG HA H 59 4.009 4.172 -0.163 1
1 640 . 14 1 1 A 59 59 ARG C C 59 178.678 178.709 -0.031 1
1 641 . 14 1 1 A 59 59 ARG CA C 59 60.969 59.715 1.254 1
1 642 . 14 1 1 A 59 59 ARG CB C 59 31.491 30.039 1.452 1
1 645 . 14 1 1 A 59 59 ARG N N 59 118.829 118.066 0.763 1
1 646 . 14 1 1 A 60 60 ALA H H 60 7.711 7.603 0.108 1
1 647 . 14 1 1 A 60 60 ALA HA H 60 4.162 4.034 0.128 1
1 651 . 14 1 1 A 60 60 ALA C C 60 180.086 179.297 0.789 1
1 652 . 14 1 1 A 60 60 ALA CA C 60 55.116 55.406 -0.290 1
1 653 . 14 1 1 A 60 60 ALA CB C 60 17.993 18.301 -0.308 1
1 654 . 14 1 1 A 60 60 ALA N N 60 122.099 121.657 0.442 1
1 655 . 14 1 1 A 61 61 LYS H H 61 7.845 7.938 -0.093 1
1 656 . 14 1 1 A 61 61 LYS HA H 61 3.912 3.994 -0.082 1
1 665 . 14 1 1 A 61 61 LYS C C 61 177.876 178.206 -0.330 1
1 666 . 14 1 1 A 61 61 LYS CA C 61 58.699 59.614 -0.915 1
1 667 . 14 1 1 A 61 61 LYS CB C 61 32.412 32.186 0.226 1
1 671 . 14 1 1 A 61 61 LYS N N 61 118.453 119.047 -0.594 1
1 672 . 14 1 1 A 62 62 PHE H H 62 7.986 8.524 -0.538 1
1 673 . 14 1 1 A 62 62 PHE HA H 62 4.249 4.124 0.125 1
1 681 . 14 1 1 A 62 62 PHE C C 62 177.148 177.180 -0.032 1
1 682 . 14 1 1 A 62 62 PHE CA C 62 60.592 61.974 -1.382 1
1 683 . 14 1 1 A 62 62 PHE CB C 62 39.439 39.120 0.319 1
1 689 . 14 1 1 A 62 62 PHE N N 62 120.207 120.464 -0.257 1
1 690 . 14 1 1 A 63 63 ARG H H 63 8.034 8.014 0.020 1
1 691 . 14 1 1 A 63 63 ARG HA H 63 4.071 4.075 -0.004 1
1 698 . 14 1 1 A 63 63 ARG C C 63 177.342 178.748 -1.406 1
1 699 . 14 1 1 A 63 63 ARG CA C 63 58.068 60.128 -2.060 1
1 700 . 14 1 1 A 63 63 ARG CB C 63 30.282 30.167 0.115 1
1 703 . 14 1 1 A 63 63 ARG N N 63 119.257 117.711 1.546 1
1 704 . 14 1 1 A 64 64 ARG H H 64 7.956 8.014 -0.058 1
1 705 . 14 1 1 A 64 64 ARG HA H 64 4.096 4.050 0.046 1
1 712 . 14 1 1 A 64 64 ARG C C 64 177.366 179.252 -1.886 1
1 713 . 14 1 1 A 64 64 ARG CA C 64 57.971 59.347 -1.376 1
1 714 . 14 1 1 A 64 64 ARG CB C 64 30.419 29.946 0.473 1
1 717 . 14 1 1 A 64 64 ARG N N 64 119.492 119.708 -0.216 1
1 718 . 14 1 1 A 65 65 ASN H H 65 8.042 7.837 0.205 1
1 719 . 14 1 1 A 65 65 ASN HA H 65 4.537 4.368 0.169 1
1 724 . 14 1 1 A 65 65 ASN C C 65 176.152 178.168 -2.016 1
1 725 . 14 1 1 A 65 65 ASN CA C 65 54.348 55.522 -1.174 1
1 726 . 14 1 1 A 65 65 ASN CB C 65 38.466 38.006 0.460 1
1 727 . 14 1 1 A 65 65 ASN N N 65 117.555 117.530 0.025 1
1 729 . 14 1 1 A 66 66 LEU H H 66 7.777 8.149 -0.372 1
1 730 . 14 1 1 A 66 66 LEU HA H 66 4.140 4.193 -0.053 1
1 740 . 14 1 1 A 66 66 LEU C C 66 177.779 178.566 -0.787 1
1 741 . 14 1 1 A 66 66 LEU CA C 66 56.138 57.732 -1.594 1
1 742 . 14 1 1 A 66 66 LEU CB C 66 42.160 41.950 0.210 1
1 746 . 14 1 1 A 66 66 LEU N N 66 121.103 120.348 0.755 1
1 747 . 14 1 1 A 67 67 LEU H H 67 7.861 7.578 0.283 1
1 748 . 14 1 1 A 67 67 LEU HA H 67 4.252 4.401 -0.149 1
1 758 . 14 1 1 A 67 67 LEU C C 67 177.245 176.581 0.664 1
1 759 . 14 1 1 A 67 67 LEU CA C 67 55.445 56.763 -1.318 1
1 760 . 14 1 1 A 67 67 LEU CB C 67 42.122 41.997 0.125 1
1 764 . 14 1 1 A 67 67 LEU N N 67 120.121 115.997 4.124 1
1 765 . 14 1 1 A 68 68 ARG H H 68 7.963 7.955 0.008 1
1 766 . 14 1 1 A 68 68 ARG HA H 68 4.265 4.210 0.055 1
1 773 . 14 1 1 A 68 68 ARG C C 68 175.934 175.891 0.043 1
1 774 . 14 1 1 A 68 68 ARG CA C 68 56.208 56.227 -0.019 1
1 775 . 14 1 1 A 68 68 ARG CB C 68 30.839 30.539 0.300 1
1 778 . 14 1 1 A 68 68 ARG N N 68 120.189 121.376 -1.187 1
1 779 . 14 1 1 A 69 69 GLN H H 69 8.303 8.509 -0.206 1
1 780 . 14 1 1 A 69 69 GLN HA H 69 4.320 4.532 -0.212 1
1 787 . 14 1 1 A 69 69 GLN C C 69 175.740 175.558 0.182 1
1 788 . 14 1 1 A 69 69 GLN CA C 69 55.891 55.640 0.251 1
1 789 . 14 1 1 A 69 69 GLN CB C 69 29.556 29.423 0.133 1
1 791 . 14 1 1 A 69 69 GLN N N 69 121.097 126.176 -5.079 1
1 793 . 14 1 1 A 70 70 GLU H H 70 8.391 8.649 -0.258 1
1 794 . 14 1 1 A 70 70 GLU HA H 70 4.290 4.475 -0.185 1
1 799 . 14 1 1 A 70 70 GLU C C 70 175.254 176.178 -0.924 1
1 800 . 14 1 1 A 70 70 GLU CA C 70 56.490 56.011 0.479 1
1 801 . 14 1 1 A 70 70 GLU CB C 70 30.636 30.730 -0.094 1
1 803 . 14 1 1 A 70 70 GLU N N 70 122.138 126.159 -4.021 1
1 804 . 14 1 1 A 71 71 ASN H H 71 8.095 8.714 -0.619 1
1 805 . 14 1 1 A 71 71 ASN HA H 71 4.462 4.622 -0.160 1
1 810 . 14 1 1 A 71 71 ASN C C 71 179.333 175.346 3.987 1
1 811 . 14 1 1 A 71 71 ASN CA C 71 55.009 53.766 1.243 1
1 812 . 14 1 1 A 71 71 ASN CB C 71 41.051 38.742 2.309 1
1 813 . 14 1 1 A 71 71 ASN N N 71 124.912 123.721 1.191 1
1 815 . 14 1 1 A 72 72 GLY HA2 H 72 3.944 4.098 -0.154 1
1 816 . 14 1 1 A 72 72 GLY HA3 H 72 3.872 4.099 -0.227 1
1 817 . 14 1 1 A 72 72 GLY C C 72 175.060 174.443 0.617 1
1 818 . 14 1 1 A 72 72 GLY CA C 72 45.579 45.635 -0.056 1
1 819 . 14 1 1 A 73 73 GLY H H 73 8.416 7.553 0.863 1
1 820 . 14 1 1 A 73 73 GLY HA2 H 73 3.947 4.190 -0.243 1
1 821 . 14 1 1 A 73 73 GLY HA3 H 73 3.947 4.190 -0.243 1
1 822 . 14 1 1 A 73 73 GLY C C 73 174.356 172.647 1.709 1
1 823 . 14 1 1 A 73 73 GLY CA C 73 45.280 45.895 -0.615 1
1 824 . 14 1 1 A 73 73 GLY N N 73 108.960 104.239 4.721 1
1 825 . 14 1 1 A 74 74 VAL H H 74 8.059 8.392 -0.333 1
1 826 . 14 1 1 A 74 74 VAL HA H 74 4.181 4.611 -0.430 1
1 834 . 14 1 1 A 74 74 VAL C C 74 176.419 173.481 2.938 1
1 835 . 14 1 1 A 74 74 VAL CA C 74 62.309 60.767 1.542 1
1 836 . 14 1 1 A 74 74 VAL CB C 74 32.843 34.874 -2.031 1
1 839 . 14 1 1 A 74 74 VAL N N 74 118.980 122.402 -3.422 1
1 840 . 14 1 1 A 75 75 SER H H 75 8.430 9.027 -0.597 1
1 841 . 14 1 1 A 75 75 SER HA H 75 4.493 4.457 0.036 1
1 844 . 14 1 1 A 75 75 SER C C 75 174.525 174.151 0.374 1
1 845 . 14 1 1 A 75 75 SER CA C 75 58.349 59.458 -1.109 1
1 846 . 14 1 1 A 75 75 SER CB C 75 63.880 63.450 0.430 1
1 847 . 14 1 1 A 75 75 SER N N 75 119.288 122.839 -3.551 1
1 848 . 14 1 1 A 76 76 GLY H H 76 8.206 8.613 -0.407 1
1 849 . 14 1 1 A 76 76 GLY C C 76 171.757 172.817 -1.060 1
1 850 . 14 1 1 A 76 76 GLY CA C 76 44.642 43.979 0.663 1
1 851 . 14 1 1 A 76 76 GLY N N 76 110.769 112.646 -1.877 1
1 852 . 14 1 1 A 79 79 SER HA H 79 4.474 5.286 -0.812 1
1 855 . 14 1 1 A 79 79 SER C C 79 173.918 173.450 0.468 1
1 856 . 14 1 1 A 79 79 SER CA C 79 58.430 56.321 2.109 1
1 857 . 14 1 1 A 79 79 SER CB C 79 64.045 65.962 -1.917 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.959 4.222 -0.263 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.959 4.226 -0.267 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.210 174.441 -0.231 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.270 44.686 0.584 1
1 5 . 15 1 1 A 8 8 LYS H H 8 7.993 8.505 -0.512 1
1 6 . 15 1 1 A 8 8 LYS C C 8 176.347 176.348 -0.001 1
1 7 . 15 1 1 A 8 8 LYS CA C 8 62.168 57.089 5.079 1
1 8 . 15 1 1 A 8 8 LYS CB C 8 32.974 34.667 -1.693 1
1 9 . 15 1 1 A 8 8 LYS N N 8 118.865 119.540 -0.675 1
1 10 . 15 1 1 A 12 12 THR HA H 12 4.227 4.502 -0.275 1
1 15 . 15 1 1 A 12 12 THR CA C 12 61.902 60.826 1.076 1
1 16 . 15 1 1 A 12 12 THR CB C 12 69.926 69.461 0.465 1
1 18 . 15 1 1 A 13 13 SER HA H 13 4.401 5.080 -0.679 1
1 21 . 15 1 1 A 13 13 SER C C 13 173.627 172.474 1.153 1
1 22 . 15 1 1 A 13 13 SER CA C 13 57.513 56.730 0.783 1
1 23 . 15 1 1 A 13 13 SER CB C 13 63.880 64.266 -0.386 1
1 24 . 15 1 1 A 14 14 PHE H H 14 8.197 8.842 -0.645 1
1 25 . 15 1 1 A 14 14 PHE HA H 14 4.701 4.980 -0.279 1
1 33 . 15 1 1 A 14 14 PHE C C 14 176.177 175.284 0.893 1
1 34 . 15 1 1 A 14 14 PHE CA C 14 57.539 56.401 1.138 1
1 35 . 15 1 1 A 14 14 PHE CB C 14 41.041 42.082 -1.041 1
1 41 . 15 1 1 A 14 14 PHE N N 14 121.084 124.387 -3.303 1
1 42 . 15 1 1 A 15 15 LYS H H 15 8.548 8.797 -0.249 1
1 43 . 15 1 1 A 15 15 LYS HA H 15 4.449 4.317 0.132 1
1 51 . 15 1 1 A 15 15 LYS C C 15 178.532 178.086 0.446 1
1 52 . 15 1 1 A 15 15 LYS CA C 15 55.291 56.483 -1.192 1
1 53 . 15 1 1 A 15 15 LYS CB C 15 33.993 32.649 1.344 1
1 57 . 15 1 1 A 15 15 LYS N N 15 120.600 123.509 -2.909 1
1 58 . 15 1 1 A 16 16 HIS HA H 16 4.238 4.332 -0.094 1
1 62 . 15 1 1 A 16 16 HIS CA C 16 60.805 58.781 2.024 1
1 63 . 15 1 1 A 16 16 HIS CB C 16 30.416 29.018 1.398 1
1 65 . 15 1 1 A 17 17 HIS HA H 17 4.218 4.336 -0.118 1
1 69 . 15 1 1 A 17 17 HIS C C 17 177.731 177.460 0.271 1
1 70 . 15 1 1 A 17 17 HIS CA C 17 58.994 59.328 -0.334 1
1 71 . 15 1 1 A 17 17 HIS CB C 17 29.627 29.887 -0.260 1
1 73 . 15 1 1 A 18 18 GLN H H 18 6.563 8.069 -1.506 1
1 74 . 15 1 1 A 18 18 GLN HA H 18 3.747 4.007 -0.260 1
1 81 . 15 1 1 A 18 18 GLN C C 18 177.051 177.973 -0.922 1
1 82 . 15 1 1 A 18 18 GLN CA C 18 58.148 58.439 -0.291 1
1 83 . 15 1 1 A 18 18 GLN CB C 18 27.752 28.552 -0.800 1
1 85 . 15 1 1 A 18 18 GLN N N 18 119.371 116.867 2.504 1
1 87 . 15 1 1 A 19 19 LEU H H 19 7.532 7.873 -0.341 1
1 88 . 15 1 1 A 19 19 LEU HA H 19 3.570 3.603 -0.033 1
1 98 . 15 1 1 A 19 19 LEU C C 19 178.362 178.492 -0.130 1
1 99 . 15 1 1 A 19 19 LEU CA C 19 57.464 57.525 -0.061 1
1 100 . 15 1 1 A 19 19 LEU CB C 19 42.092 41.508 0.584 1
1 104 . 15 1 1 A 19 19 LEU N N 19 118.862 120.352 -1.490 1
1 105 . 15 1 1 A 20 20 ARG H H 20 8.168 8.078 0.090 1
1 106 . 15 1 1 A 20 20 ARG HA H 20 3.899 4.032 -0.133 1
1 113 . 15 1 1 A 20 20 ARG C C 20 179.358 178.852 0.506 1
1 114 . 15 1 1 A 20 20 ARG CA C 20 59.641 59.179 0.462 1
1 115 . 15 1 1 A 20 20 ARG CB C 20 29.869 29.970 -0.101 1
1 118 . 15 1 1 A 20 20 ARG N N 20 118.228 119.411 -1.183 1
1 119 . 15 1 1 A 21 21 THR H H 21 7.592 7.658 -0.066 1
1 120 . 15 1 1 A 21 21 THR HA H 21 3.854 3.939 -0.085 1
1 125 . 15 1 1 A 21 21 THR C C 21 176.662 177.003 -0.341 1
1 126 . 15 1 1 A 21 21 THR CA C 21 66.646 67.009 -0.363 1
1 127 . 15 1 1 A 21 21 THR CB C 21 68.271 68.404 -0.133 1
1 129 . 15 1 1 A 21 21 THR N N 21 117.730 116.176 1.554 1
1 130 . 15 1 1 A 22 22 MET H H 22 7.910 7.990 -0.080 1
1 131 . 15 1 1 A 22 22 MET HA H 22 3.537 4.195 -0.658 1
1 139 . 15 1 1 A 22 22 MET C C 22 177.099 178.659 -1.560 1
1 140 . 15 1 1 A 22 22 MET CA C 22 61.053 58.818 2.235 1
1 141 . 15 1 1 A 22 22 MET CB C 22 31.655 32.367 -0.712 1
1 144 . 15 1 1 A 22 22 MET N N 22 121.373 118.226 3.147 1
1 145 . 15 1 1 A 23 23 LYS H H 23 8.663 8.342 0.321 1
1 146 . 15 1 1 A 23 23 LYS HA H 23 4.037 4.197 -0.160 1
1 155 . 15 1 1 A 23 23 LYS C C 23 180.183 179.214 0.969 1
1 156 . 15 1 1 A 23 23 LYS CA C 23 60.743 60.216 0.527 1
1 157 . 15 1 1 A 23 23 LYS CB C 23 32.386 32.551 -0.165 1
1 161 . 15 1 1 A 23 23 LYS N N 23 117.749 120.280 -2.531 1
1 162 . 15 1 1 A 24 24 SER H H 24 8.182 8.062 0.120 1
1 163 . 15 1 1 A 24 24 SER HA H 24 4.291 4.309 -0.018 1
1 166 . 15 1 1 A 24 24 SER C C 24 176.298 176.521 -0.223 1
1 167 . 15 1 1 A 24 24 SER CA C 24 61.850 62.498 -0.648 1
1 168 . 15 1 1 A 24 24 SER CB C 24 62.661 63.580 -0.919 1
1 169 . 15 1 1 A 24 24 SER N N 24 115.784 115.827 -0.043 1
1 170 . 15 1 1 A 25 25 TYR H H 25 7.860 8.057 -0.197 1
1 171 . 15 1 1 A 25 25 TYR HA H 25 4.168 4.358 -0.190 1
1 178 . 15 1 1 A 25 25 TYR C C 25 177.731 177.941 -0.210 1
1 179 . 15 1 1 A 25 25 TYR CA C 25 62.168 61.747 0.421 1
1 180 . 15 1 1 A 25 25 TYR CB C 25 38.810 38.758 0.052 1
1 185 . 15 1 1 A 25 25 TYR N N 25 122.606 123.014 -0.408 1
1 186 . 15 1 1 A 26 26 PHE H H 26 9.057 8.639 0.418 1
1 187 . 15 1 1 A 26 26 PHE HA H 26 4.587 4.632 -0.045 1
1 195 . 15 1 1 A 26 26 PHE C C 26 174.987 177.858 -2.871 1
1 196 . 15 1 1 A 26 26 PHE CA C 26 61.043 61.807 -0.764 1
1 197 . 15 1 1 A 26 26 PHE CB C 26 39.600 39.614 -0.014 1
1 203 . 15 1 1 A 26 26 PHE N N 26 121.419 121.196 0.223 1
1 204 . 15 1 1 A 27 27 ALA H H 27 7.459 7.817 -0.358 1
1 205 . 15 1 1 A 27 27 ALA HA H 27 4.051 4.229 -0.178 1
1 209 . 15 1 1 A 27 27 ALA C C 27 178.775 180.095 -1.320 1
1 210 . 15 1 1 A 27 27 ALA CA C 27 54.233 54.631 -0.398 1
1 211 . 15 1 1 A 27 27 ALA CB C 27 18.405 18.951 -0.546 1
1 212 . 15 1 1 A 27 27 ALA N N 27 114.718 120.818 -6.100 1
1 213 . 15 1 1 A 28 28 ILE H H 28 7.405 7.857 -0.452 1
1 214 . 15 1 1 A 28 28 ILE HA H 28 3.985 3.840 0.145 1
1 224 . 15 1 1 A 28 28 ILE C C 28 176.055 176.187 -0.132 1
1 225 . 15 1 1 A 28 28 ILE CA C 28 61.603 63.273 -1.670 1
1 226 . 15 1 1 A 28 28 ILE CB C 28 39.090 38.212 0.878 1
1 230 . 15 1 1 A 28 28 ILE N N 28 115.025 116.357 -1.332 1
1 231 . 15 1 1 A 29 29 ASN H H 29 8.087 7.792 0.295 1
1 232 . 15 1 1 A 29 29 ASN HA H 29 4.511 4.639 -0.128 1
1 237 . 15 1 1 A 29 29 ASN C C 29 172.947 175.159 -2.212 1
1 238 . 15 1 1 A 29 29 ASN CA C 29 52.594 52.243 0.351 1
1 239 . 15 1 1 A 29 29 ASN CB C 29 39.402 40.011 -0.609 1
1 240 . 15 1 1 A 29 29 ASN N N 29 119.219 117.030 2.189 1
1 242 . 15 1 1 A 30 30 HIS H H 30 8.408 8.142 0.266 1
1 243 . 15 1 1 A 30 30 HIS HA H 30 4.499 4.255 0.244 1
1 247 . 15 1 1 A 30 30 HIS C C 30 175.472 175.528 -0.056 1
1 248 . 15 1 1 A 30 30 HIS CA C 30 55.538 58.578 -3.040 1
1 249 . 15 1 1 A 30 30 HIS CB C 30 31.578 29.499 2.079 1
1 251 . 15 1 1 A 30 30 HIS N N 30 120.962 122.851 -1.889 1
1 252 . 15 1 1 A 31 31 ASN H H 31 7.931 8.053 -0.122 1
1 253 . 15 1 1 A 31 31 ASN HA H 31 5.099 5.092 0.007 1
1 258 . 15 1 1 A 31 31 ASN C C 31 170.762 172.428 -1.666 1
1 259 . 15 1 1 A 31 31 ASN CA C 31 51.130 50.699 0.431 1
1 260 . 15 1 1 A 31 31 ASN CB C 31 40.625 39.216 1.409 1
1 261 . 15 1 1 A 31 31 ASN N N 31 114.800 116.736 -1.936 1
1 263 . 15 1 1 A 32 32 PRO HA H 32 4.565 4.650 -0.085 1
1 270 . 15 1 1 A 32 32 PRO C C 32 176.832 175.575 1.257 1
1 271 . 15 1 1 A 32 32 PRO CA C 32 63.120 62.352 0.768 1
1 272 . 15 1 1 A 32 32 PRO CB C 32 31.715 32.250 -0.535 1
1 275 . 15 1 1 A 33 33 ASP H H 33 8.758 8.536 0.222 1
1 276 . 15 1 1 A 33 33 ASP HA H 33 4.526 5.021 -0.495 1
1 279 . 15 1 1 A 33 33 ASP C C 33 175.667 177.578 -1.911 1
1 280 . 15 1 1 A 33 33 ASP CA C 33 51.908 52.952 -1.044 1
1 281 . 15 1 1 A 33 33 ASP CB C 33 41.113 42.025 -0.912 1
1 282 . 15 1 1 A 33 33 ASP N N 33 123.573 120.807 2.766 1
1 283 . 15 1 1 A 34 34 ALA H H 34 8.274 8.807 -0.533 1
1 284 . 15 1 1 A 34 34 ALA HA H 34 3.914 3.992 -0.078 1
1 288 . 15 1 1 A 34 34 ALA C C 34 180.742 179.669 1.073 1
1 289 . 15 1 1 A 34 34 ALA CA C 34 56.073 55.496 0.577 1
1 290 . 15 1 1 A 34 34 ALA CB C 34 18.510 18.208 0.302 1
1 291 . 15 1 1 A 34 34 ALA N N 34 119.222 123.448 -4.226 1
1 292 . 15 1 1 A 35 35 LYS H H 35 7.931 7.957 -0.026 1
1 293 . 15 1 1 A 35 35 LYS HA H 35 4.019 3.896 0.123 1
1 302 . 15 1 1 A 35 35 LYS C C 35 179.430 178.188 1.242 1
1 303 . 15 1 1 A 35 35 LYS CA C 35 59.485 59.871 -0.386 1
1 304 . 15 1 1 A 35 35 LYS CB C 35 31.535 32.350 -0.815 1
1 308 . 15 1 1 A 35 35 LYS N N 35 119.343 118.342 1.001 1
1 309 . 15 1 1 A 36 36 ASP H H 36 8.611 8.059 0.552 1
1 310 . 15 1 1 A 36 36 ASP HA H 36 4.408 4.350 0.058 1
1 313 . 15 1 1 A 36 36 ASP C C 36 179.479 178.734 0.745 1
1 314 . 15 1 1 A 36 36 ASP CA C 36 57.090 57.077 0.013 1
1 315 . 15 1 1 A 36 36 ASP CB C 36 39.930 41.101 -1.171 1
1 316 . 15 1 1 A 36 36 ASP N N 36 123.478 119.949 3.529 1
1 317 . 15 1 1 A 37 37 LEU H H 37 8.743 8.242 0.501 1
1 318 . 15 1 1 A 37 37 LEU HA H 37 3.805 3.725 0.080 1
1 328 . 15 1 1 A 37 37 LEU C C 37 178.799 179.195 -0.396 1
1 329 . 15 1 1 A 37 37 LEU CA C 37 58.148 57.933 0.215 1
1 330 . 15 1 1 A 37 37 LEU CB C 37 42.233 41.631 0.602 1
1 334 . 15 1 1 A 37 37 LEU N N 37 120.010 119.904 0.106 1
1 335 . 15 1 1 A 38 38 LYS H H 38 7.756 8.184 -0.428 1
1 336 . 15 1 1 A 38 38 LYS HA H 38 3.956 3.982 -0.026 1
1 343 . 15 1 1 A 38 38 LYS C C 38 179.090 178.360 0.730 1
1 344 . 15 1 1 A 38 38 LYS CA C 38 59.950 59.034 0.916 1
1 345 . 15 1 1 A 38 38 LYS CB C 38 32.315 31.873 0.442 1
1 349 . 15 1 1 A 38 38 LYS N N 38 120.326 118.076 2.250 1
1 350 . 15 1 1 A 39 39 GLN H H 39 7.634 7.620 0.014 1
1 351 . 15 1 1 A 39 39 GLN HA H 39 4.156 4.042 0.114 1
1 358 . 15 1 1 A 39 39 GLN C C 39 178.896 179.311 -0.415 1
1 359 . 15 1 1 A 39 39 GLN CA C 39 58.888 58.579 0.309 1
1 360 . 15 1 1 A 39 39 GLN CB C 39 28.441 28.242 0.199 1
1 362 . 15 1 1 A 39 39 GLN N N 39 119.272 119.065 0.207 1
1 364 . 15 1 1 A 40 40 LEU H H 40 8.541 8.187 0.354 1
1 365 . 15 1 1 A 40 40 LEU HA H 40 3.848 3.975 -0.127 1
1 375 . 15 1 1 A 40 40 LEU C C 40 180.256 178.857 1.399 1
1 376 . 15 1 1 A 40 40 LEU CA C 40 57.866 57.764 0.102 1
1 377 . 15 1 1 A 40 40 LEU CB C 40 43.074 41.604 1.470 1
1 381 . 15 1 1 A 40 40 LEU N N 40 120.555 120.738 -0.183 1
1 382 . 15 1 1 A 41 41 ALA H H 41 8.633 8.210 0.423 1
1 383 . 15 1 1 A 41 41 ALA HA H 41 4.032 3.919 0.113 1
1 387 . 15 1 1 A 41 41 ALA C C 41 179.722 179.133 0.589 1
1 388 . 15 1 1 A 41 41 ALA CA C 41 55.923 54.677 1.246 1
1 389 . 15 1 1 A 41 41 ALA CB C 41 17.836 18.485 -0.649 1
1 390 . 15 1 1 A 41 41 ALA N N 41 127.288 120.415 6.873 1
1 391 . 15 1 1 A 42 42 GLN H H 42 7.698 7.709 -0.011 1
1 392 . 15 1 1 A 42 42 GLN HA H 42 4.034 4.284 -0.250 1
1 399 . 15 1 1 A 42 42 GLN C C 42 178.848 178.145 0.703 1
1 400 . 15 1 1 A 42 42 GLN CA C 42 58.853 57.790 1.063 1
1 401 . 15 1 1 A 42 42 GLN CB C 42 28.276 29.345 -1.069 1
1 403 . 15 1 1 A 42 42 GLN N N 42 118.543 116.068 2.475 1
1 405 . 15 1 1 A 43 43 LYS H H 43 8.099 7.655 0.444 1
1 406 . 15 1 1 A 43 43 LYS HA H 43 4.172 4.072 0.100 1
1 415 . 15 1 1 A 43 43 LYS C C 43 178.581 177.896 0.685 1
1 416 . 15 1 1 A 43 43 LYS CA C 43 58.741 58.642 0.099 1
1 417 . 15 1 1 A 43 43 LYS CB C 43 34.128 32.098 2.030 1
1 421 . 15 1 1 A 43 43 LYS N N 43 116.650 119.427 -2.777 1
1 422 . 15 1 1 A 44 44 THR H H 44 8.053 7.786 0.267 1
1 423 . 15 1 1 A 44 44 THR HA H 44 4.517 4.532 -0.015 1
1 428 . 15 1 1 A 44 44 THR C C 44 176.104 175.777 0.327 1
1 429 . 15 1 1 A 44 44 THR CA C 44 63.114 62.309 0.805 1
1 430 . 15 1 1 A 44 44 THR CB C 44 72.379 71.068 1.311 1
1 432 . 15 1 1 A 44 44 THR N N 44 105.200 108.293 -3.093 1
1 433 . 15 1 1 A 45 45 GLY H H 45 8.327 8.063 0.264 1
1 434 . 15 1 1 A 45 45 GLY HA2 H 45 3.882 4.019 -0.137 1
1 435 . 15 1 1 A 45 45 GLY HA3 H 45 4.257 4.022 0.235 1
1 436 . 15 1 1 A 45 45 GLY C C 45 174.283 174.458 -0.175 1
1 437 . 15 1 1 A 45 45 GLY CA C 45 45.950 45.049 0.901 1
1 438 . 15 1 1 A 45 45 GLY N N 45 111.805 111.305 0.500 1
1 439 . 15 1 1 A 46 46 LEU H H 46 7.710 7.551 0.159 1
1 440 . 15 1 1 A 46 46 LEU HA H 46 4.692 4.505 0.187 1
1 450 . 15 1 1 A 46 46 LEU C C 46 176.249 176.097 0.152 1
1 451 . 15 1 1 A 46 46 LEU CA C 46 53.293 54.559 -1.266 1
1 452 . 15 1 1 A 46 46 LEU CB C 46 44.084 42.523 1.561 1
1 456 . 15 1 1 A 46 46 LEU N N 46 121.162 122.599 -1.437 1
1 457 . 15 1 1 A 47 47 THR H H 47 7.718 8.405 -0.687 1
1 458 . 15 1 1 A 47 47 THR HA H 47 4.379 4.700 -0.321 1
1 463 . 15 1 1 A 47 47 THR C C 47 175.594 175.115 0.479 1
1 464 . 15 1 1 A 47 47 THR CA C 47 60.475 60.084 0.391 1
1 465 . 15 1 1 A 47 47 THR CB C 47 71.045 70.986 0.059 1
1 467 . 15 1 1 A 47 47 THR N N 47 107.953 114.648 -6.695 1
1 468 . 15 1 1 A 48 48 LYS H H 48 8.750 8.987 -0.237 1
1 469 . 15 1 1 A 48 48 LYS HA H 48 3.788 3.928 -0.140 1
1 478 . 15 1 1 A 48 48 LYS C C 48 178.119 178.164 -0.045 1
1 479 . 15 1 1 A 48 48 LYS CA C 48 60.816 60.146 0.670 1
1 480 . 15 1 1 A 48 48 LYS CB C 48 32.050 32.187 -0.137 1
1 484 . 15 1 1 A 48 48 LYS N N 48 120.566 127.047 -6.481 1
1 485 . 15 1 1 A 49 49 ARG H H 49 8.274 7.815 0.459 1
1 486 . 15 1 1 A 49 49 ARG HA H 49 4.214 4.105 0.109 1
1 492 . 15 1 1 A 49 49 ARG C C 49 178.216 178.708 -0.492 1
1 493 . 15 1 1 A 49 49 ARG CA C 49 59.170 58.918 0.252 1
1 494 . 15 1 1 A 49 49 ARG CB C 49 30.181 29.989 0.192 1
1 497 . 15 1 1 A 49 49 ARG N N 49 116.915 119.328 -2.413 1
1 498 . 15 1 1 A 50 50 VAL H H 50 7.310 8.051 -0.741 1
1 499 . 15 1 1 A 50 50 VAL HA H 50 3.730 3.713 0.017 1
1 507 . 15 1 1 A 50 50 VAL C C 50 179.406 178.137 1.269 1
1 508 . 15 1 1 A 50 50 VAL CA C 50 66.576 66.475 0.101 1
1 509 . 15 1 1 A 50 50 VAL CB C 50 31.655 31.713 -0.058 1
1 512 . 15 1 1 A 50 50 VAL N N 50 119.540 119.500 0.040 1
1 513 . 15 1 1 A 51 51 LEU H H 51 8.115 8.155 -0.040 1
1 514 . 15 1 1 A 51 51 LEU HA H 51 4.133 3.948 0.185 1
1 524 . 15 1 1 A 51 51 LEU C C 51 178.726 179.262 -0.536 1
1 525 . 15 1 1 A 51 51 LEU CA C 51 58.465 58.436 0.029 1
1 526 . 15 1 1 A 51 51 LEU CB C 51 43.173 41.453 1.720 1
1 530 . 15 1 1 A 51 51 LEU N N 51 120.715 119.069 1.646 1
1 531 . 15 1 1 A 52 52 GLN H H 52 8.981 8.189 0.792 1
1 532 . 15 1 1 A 52 52 GLN HA H 52 4.131 4.054 0.077 1
1 539 . 15 1 1 A 52 52 GLN C C 52 179.600 178.743 0.857 1
1 540 . 15 1 1 A 52 52 GLN CA C 52 60.226 58.725 1.501 1
1 541 . 15 1 1 A 52 52 GLN CB C 52 29.018 28.247 0.771 1
1 543 . 15 1 1 A 52 52 GLN N N 52 118.651 116.737 1.914 1
1 545 . 15 1 1 A 53 53 VAL H H 53 8.057 8.528 -0.471 1
1 546 . 15 1 1 A 53 53 VAL HA H 53 3.723 3.682 0.041 1
1 554 . 15 1 1 A 53 53 VAL C C 53 177.755 178.366 -0.611 1
1 555 . 15 1 1 A 53 53 VAL CA C 53 66.646 66.864 -0.218 1
1 556 . 15 1 1 A 53 53 VAL CB C 53 32.196 31.680 0.516 1
1 559 . 15 1 1 A 53 53 VAL N N 53 120.778 120.593 0.185 1
1 560 . 15 1 1 A 54 54 TRP H H 54 8.377 8.566 -0.189 1
1 561 . 15 1 1 A 54 54 TRP HA H 54 4.036 4.254 -0.218 1
1 570 . 15 1 1 A 54 54 TRP C C 54 180.110 178.025 2.085 1
1 571 . 15 1 1 A 54 54 TRP CA C 54 63.543 61.201 2.342 1
1 572 . 15 1 1 A 54 54 TRP CB C 54 28.771 29.890 -1.119 1
1 578 . 15 1 1 A 54 54 TRP N N 54 122.326 121.501 0.825 1
1 580 . 15 1 1 A 55 55 PHE H H 55 9.196 8.614 0.582 1
1 581 . 15 1 1 A 55 55 PHE HA H 55 3.808 4.372 -0.564 1
1 589 . 15 1 1 A 55 55 PHE C C 55 177.973 178.356 -0.383 1
1 590 . 15 1 1 A 55 55 PHE CA C 55 63.557 62.059 1.498 1
1 591 . 15 1 1 A 55 55 PHE CB C 55 39.139 39.248 -0.109 1
1 597 . 15 1 1 A 55 55 PHE N N 55 118.085 118.134 -0.049 1
1 598 . 15 1 1 A 56 56 GLN H H 56 8.289 8.510 -0.221 1
1 599 . 15 1 1 A 56 56 GLN HA H 56 3.992 4.015 -0.023 1
1 606 . 15 1 1 A 56 56 GLN C C 56 179.212 178.670 0.542 1
1 607 . 15 1 1 A 56 56 GLN CA C 56 59.699 59.338 0.361 1
1 608 . 15 1 1 A 56 56 GLN CB C 56 28.236 28.240 -0.004 1
1 610 . 15 1 1 A 56 56 GLN N N 56 119.990 117.320 2.670 1
1 612 . 15 1 1 A 57 57 ASN H H 57 8.244 8.141 0.103 1
1 613 . 15 1 1 A 57 57 ASN HA H 57 4.341 4.481 -0.140 1
1 618 . 15 1 1 A 57 57 ASN C C 57 177.124 177.879 -0.755 1
1 619 . 15 1 1 A 57 57 ASN CA C 57 55.820 56.161 -0.341 1
1 620 . 15 1 1 A 57 57 ASN CB C 57 38.025 38.229 -0.204 1
1 621 . 15 1 1 A 57 57 ASN N N 57 119.713 118.602 1.111 1
1 623 . 15 1 1 A 58 58 ALA H H 58 8.224 7.940 0.284 1
1 624 . 15 1 1 A 58 58 ALA HA H 58 3.323 3.630 -0.307 1
1 628 . 15 1 1 A 58 58 ALA C C 58 180.814 180.056 0.758 1
1 629 . 15 1 1 A 58 58 ALA CA C 58 54.712 55.166 -0.454 1
1 630 . 15 1 1 A 58 58 ALA CB C 58 16.697 17.617 -0.920 1
1 631 . 15 1 1 A 58 58 ALA N N 58 125.439 122.764 2.675 1
1 632 . 15 1 1 A 59 59 ARG H H 59 8.404 7.920 0.484 1
1 633 . 15 1 1 A 59 59 ARG HA H 59 4.009 4.227 -0.218 1
1 640 . 15 1 1 A 59 59 ARG C C 59 178.678 178.757 -0.079 1
1 641 . 15 1 1 A 59 59 ARG CA C 59 60.969 59.832 1.137 1
1 642 . 15 1 1 A 59 59 ARG CB C 59 31.491 29.900 1.591 1
1 645 . 15 1 1 A 59 59 ARG N N 59 118.829 117.832 0.997 1
1 646 . 15 1 1 A 60 60 ALA H H 60 7.711 8.139 -0.428 1
1 647 . 15 1 1 A 60 60 ALA HA H 60 4.162 4.081 0.081 1
1 651 . 15 1 1 A 60 60 ALA C C 60 180.086 179.015 1.071 1
1 652 . 15 1 1 A 60 60 ALA CA C 60 55.116 55.427 -0.311 1
1 653 . 15 1 1 A 60 60 ALA CB C 60 17.993 18.639 -0.646 1
1 654 . 15 1 1 A 60 60 ALA N N 60 122.099 121.633 0.466 1
1 655 . 15 1 1 A 61 61 LYS H H 61 7.845 7.550 0.295 1
1 656 . 15 1 1 A 61 61 LYS HA H 61 3.912 4.024 -0.112 1
1 665 . 15 1 1 A 61 61 LYS C C 61 177.876 178.381 -0.505 1
1 666 . 15 1 1 A 61 61 LYS CA C 61 58.699 59.725 -1.026 1
1 667 . 15 1 1 A 61 61 LYS CB C 61 32.412 32.127 0.285 1
1 671 . 15 1 1 A 61 61 LYS N N 61 118.453 118.889 -0.436 1
1 672 . 15 1 1 A 62 62 PHE H H 62 7.986 8.390 -0.404 1
1 673 . 15 1 1 A 62 62 PHE HA H 62 4.249 4.184 0.065 1
1 681 . 15 1 1 A 62 62 PHE C C 62 177.148 177.190 -0.042 1
1 682 . 15 1 1 A 62 62 PHE CA C 62 60.592 61.959 -1.367 1
1 683 . 15 1 1 A 62 62 PHE CB C 62 39.439 39.277 0.162 1
1 689 . 15 1 1 A 62 62 PHE N N 62 120.207 120.473 -0.266 1
1 690 . 15 1 1 A 63 63 ARG H H 63 8.034 8.159 -0.125 1
1 691 . 15 1 1 A 63 63 ARG HA H 63 4.071 4.101 -0.030 1
1 698 . 15 1 1 A 63 63 ARG C C 63 177.342 178.829 -1.487 1
1 699 . 15 1 1 A 63 63 ARG CA C 63 58.068 59.529 -1.461 1
1 700 . 15 1 1 A 63 63 ARG CB C 63 30.282 29.991 0.291 1
1 703 . 15 1 1 A 63 63 ARG N N 63 119.257 117.409 1.848 1
1 704 . 15 1 1 A 64 64 ARG H H 64 7.956 7.730 0.226 1
1 705 . 15 1 1 A 64 64 ARG HA H 64 4.096 4.082 0.014 1
1 712 . 15 1 1 A 64 64 ARG C C 64 177.366 178.564 -1.198 1
1 713 . 15 1 1 A 64 64 ARG CA C 64 57.971 59.158 -1.187 1
1 714 . 15 1 1 A 64 64 ARG CB C 64 30.419 29.797 0.622 1
1 717 . 15 1 1 A 64 64 ARG N N 64 119.492 119.979 -0.487 1
1 718 . 15 1 1 A 65 65 ASN H H 65 8.042 7.856 0.186 1
1 719 . 15 1 1 A 65 65 ASN HA H 65 4.537 4.307 0.230 1
1 724 . 15 1 1 A 65 65 ASN C C 65 176.152 177.722 -1.570 1
1 725 . 15 1 1 A 65 65 ASN CA C 65 54.348 56.206 -1.858 1
1 726 . 15 1 1 A 65 65 ASN CB C 65 38.466 38.000 0.466 1
1 727 . 15 1 1 A 65 65 ASN N N 65 117.555 118.007 -0.452 1
1 729 . 15 1 1 A 66 66 LEU H H 66 7.777 8.474 -0.697 1
1 730 . 15 1 1 A 66 66 LEU HA H 66 4.140 3.977 0.163 1
1 740 . 15 1 1 A 66 66 LEU C C 66 177.779 178.242 -0.463 1
1 741 . 15 1 1 A 66 66 LEU CA C 66 56.138 58.631 -2.493 1
1 742 . 15 1 1 A 66 66 LEU CB C 66 42.160 42.138 0.022 1
1 746 . 15 1 1 A 66 66 LEU N N 66 121.103 121.546 -0.443 1
1 747 . 15 1 1 A 67 67 LEU H H 67 7.861 7.944 -0.083 1
1 748 . 15 1 1 A 67 67 LEU HA H 67 4.252 4.014 0.238 1
1 758 . 15 1 1 A 67 67 LEU C C 67 177.245 177.523 -0.278 1
1 759 . 15 1 1 A 67 67 LEU CA C 67 55.445 57.804 -2.359 1
1 760 . 15 1 1 A 67 67 LEU CB C 67 42.122 41.357 0.765 1
1 764 . 15 1 1 A 67 67 LEU N N 67 120.121 118.217 1.904 1
1 765 . 15 1 1 A 68 68 ARG H H 68 7.963 7.863 0.100 1
1 766 . 15 1 1 A 68 68 ARG HA H 68 4.265 3.944 0.321 1
1 773 . 15 1 1 A 68 68 ARG C C 68 175.934 176.999 -1.065 1
1 774 . 15 1 1 A 68 68 ARG CA C 68 56.208 56.480 -0.272 1
1 775 . 15 1 1 A 68 68 ARG CB C 68 30.839 30.517 0.322 1
1 778 . 15 1 1 A 68 68 ARG N N 68 120.189 119.865 0.324 1
1 779 . 15 1 1 A 69 69 GLN H H 69 8.303 9.003 -0.700 1
1 780 . 15 1 1 A 69 69 GLN HA H 69 4.320 3.921 0.399 1
1 787 . 15 1 1 A 69 69 GLN C C 69 175.740 174.410 1.330 1
1 788 . 15 1 1 A 69 69 GLN CA C 69 55.891 56.701 -0.810 1
1 789 . 15 1 1 A 69 69 GLN CB C 69 29.556 27.448 2.108 1
1 791 . 15 1 1 A 69 69 GLN N N 69 121.097 124.975 -3.878 1
1 793 . 15 1 1 A 70 70 GLU H H 70 8.391 7.587 0.804 1
1 794 . 15 1 1 A 70 70 GLU HA H 70 4.290 4.764 -0.474 1
1 799 . 15 1 1 A 70 70 GLU C C 70 175.254 175.374 -0.120 1
1 800 . 15 1 1 A 70 70 GLU CA C 70 56.490 54.968 1.522 1
1 801 . 15 1 1 A 70 70 GLU CB C 70 30.636 32.157 -1.521 1
1 803 . 15 1 1 A 70 70 GLU N N 70 122.138 118.234 3.904 1
1 804 . 15 1 1 A 71 71 ASN H H 71 8.095 8.834 -0.739 1
1 805 . 15 1 1 A 71 71 ASN HA H 71 4.462 5.037 -0.575 1
1 810 . 15 1 1 A 71 71 ASN C C 71 179.333 175.406 3.927 1
1 811 . 15 1 1 A 71 71 ASN CA C 71 55.009 51.861 3.148 1
1 812 . 15 1 1 A 71 71 ASN CB C 71 41.051 39.352 1.699 1
1 813 . 15 1 1 A 71 71 ASN N N 71 124.912 122.648 2.264 1
1 815 . 15 1 1 A 72 72 GLY HA2 H 72 3.944 3.971 -0.027 1
1 816 . 15 1 1 A 72 72 GLY HA3 H 72 3.872 3.972 -0.100 1
1 817 . 15 1 1 A 72 72 GLY C C 72 175.060 174.311 0.749 1
1 818 . 15 1 1 A 72 72 GLY CA C 72 45.579 44.942 0.637 1
1 819 . 15 1 1 A 73 73 GLY H H 73 8.416 8.644 -0.228 1
1 820 . 15 1 1 A 73 73 GLY HA2 H 73 3.947 4.056 -0.109 1
1 821 . 15 1 1 A 73 73 GLY HA3 H 73 3.947 4.058 -0.111 1
1 822 . 15 1 1 A 73 73 GLY C C 73 174.356 174.407 -0.051 1
1 823 . 15 1 1 A 73 73 GLY CA C 73 45.280 44.853 0.427 1
1 824 . 15 1 1 A 73 73 GLY N N 73 108.960 109.027 -0.067 1
1 825 . 15 1 1 A 74 74 VAL H H 74 8.059 7.971 0.088 1
1 826 . 15 1 1 A 74 74 VAL HA H 74 4.181 4.602 -0.421 1
1 834 . 15 1 1 A 74 74 VAL C C 74 176.419 176.591 -0.172 1
1 835 . 15 1 1 A 74 74 VAL CA C 74 62.309 60.554 1.755 1
1 836 . 15 1 1 A 74 74 VAL CB C 74 32.843 31.480 1.363 1
1 839 . 15 1 1 A 74 74 VAL N N 74 118.980 120.152 -1.172 1
1 840 . 15 1 1 A 75 75 SER H H 75 8.430 8.216 0.214 1
1 841 . 15 1 1 A 75 75 SER HA H 75 4.493 4.152 0.341 1
1 844 . 15 1 1 A 75 75 SER C C 75 174.525 175.375 -0.850 1
1 845 . 15 1 1 A 75 75 SER CA C 75 58.349 61.170 -2.821 1
1 846 . 15 1 1 A 75 75 SER CB C 75 63.880 63.663 0.217 1
1 847 . 15 1 1 A 75 75 SER N N 75 119.288 119.190 0.098 1
1 848 . 15 1 1 A 76 76 GLY H H 76 8.206 7.808 0.398 1
1 849 . 15 1 1 A 76 76 GLY C C 76 171.757 173.411 -1.654 1
1 850 . 15 1 1 A 76 76 GLY CA C 76 44.642 44.999 -0.357 1
1 851 . 15 1 1 A 76 76 GLY N N 76 110.769 107.515 3.254 1
1 852 . 15 1 1 A 79 79 SER HA H 79 4.474 5.319 -0.845 1
1 855 . 15 1 1 A 79 79 SER C C 79 173.918 173.410 0.508 1
1 856 . 15 1 1 A 79 79 SER CA C 79 58.430 56.661 1.769 1
1 857 . 15 1 1 A 79 79 SER CB C 79 64.045 65.907 -1.862 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.959 4.038 -0.079 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.959 4.040 -0.081 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.210 173.781 0.429 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.270 44.587 0.683 1
1 5 . 16 1 1 A 8 8 LYS H H 8 7.993 8.004 -0.011 1
1 6 . 16 1 1 A 8 8 LYS C C 8 176.347 175.736 0.611 1
1 7 . 16 1 1 A 8 8 LYS CA C 8 62.168 54.220 7.948 1
1 8 . 16 1 1 A 8 8 LYS CB C 8 32.974 35.685 -2.711 1
1 9 . 16 1 1 A 8 8 LYS N N 8 118.865 121.342 -2.477 1
1 10 . 16 1 1 A 12 12 THR HA H 12 4.227 4.676 -0.449 1
1 15 . 16 1 1 A 12 12 THR CA C 12 61.902 60.180 1.722 1
1 16 . 16 1 1 A 12 12 THR CB C 12 69.926 70.932 -1.006 1
1 18 . 16 1 1 A 13 13 SER HA H 13 4.401 4.460 -0.059 1
1 21 . 16 1 1 A 13 13 SER C C 13 173.627 173.475 0.152 1
1 22 . 16 1 1 A 13 13 SER CA C 13 57.513 58.623 -1.110 1
1 23 . 16 1 1 A 13 13 SER CB C 13 63.880 62.900 0.980 1
1 24 . 16 1 1 A 14 14 PHE H H 14 8.197 8.499 -0.302 1
1 25 . 16 1 1 A 14 14 PHE HA H 14 4.701 4.494 0.207 1
1 33 . 16 1 1 A 14 14 PHE C C 14 176.177 175.518 0.659 1
1 34 . 16 1 1 A 14 14 PHE CA C 14 57.539 59.375 -1.836 1
1 35 . 16 1 1 A 14 14 PHE CB C 14 41.041 39.343 1.698 1
1 41 . 16 1 1 A 14 14 PHE N N 14 121.084 127.193 -6.109 1
1 42 . 16 1 1 A 15 15 LYS H H 15 8.548 8.699 -0.151 1
1 43 . 16 1 1 A 15 15 LYS HA H 15 4.449 4.137 0.312 1
1 51 . 16 1 1 A 15 15 LYS C C 15 178.532 177.565 0.967 1
1 52 . 16 1 1 A 15 15 LYS CA C 15 55.291 55.901 -0.610 1
1 53 . 16 1 1 A 15 15 LYS CB C 15 33.993 33.300 0.693 1
1 57 . 16 1 1 A 15 15 LYS N N 15 120.600 123.333 -2.733 1
1 58 . 16 1 1 A 16 16 HIS HA H 16 4.238 4.510 -0.272 1
1 62 . 16 1 1 A 16 16 HIS CA C 16 60.805 57.507 3.298 1
1 63 . 16 1 1 A 16 16 HIS CB C 16 30.416 29.823 0.593 1
1 65 . 16 1 1 A 17 17 HIS HA H 17 4.218 4.356 -0.138 1
1 69 . 16 1 1 A 17 17 HIS C C 17 177.731 177.442 0.289 1
1 70 . 16 1 1 A 17 17 HIS CA C 17 58.994 59.126 -0.132 1
1 71 . 16 1 1 A 17 17 HIS CB C 17 29.627 30.048 -0.421 1
1 73 . 16 1 1 A 18 18 GLN H H 18 6.563 8.196 -1.633 1
1 74 . 16 1 1 A 18 18 GLN HA H 18 3.747 4.005 -0.258 1
1 81 . 16 1 1 A 18 18 GLN C C 18 177.051 177.998 -0.947 1
1 82 . 16 1 1 A 18 18 GLN CA C 18 58.148 58.393 -0.245 1
1 83 . 16 1 1 A 18 18 GLN CB C 18 27.752 28.483 -0.731 1
1 85 . 16 1 1 A 18 18 GLN N N 18 119.371 117.410 1.961 1
1 87 . 16 1 1 A 19 19 LEU H H 19 7.532 8.211 -0.679 1
1 88 . 16 1 1 A 19 19 LEU HA H 19 3.570 3.668 -0.098 1
1 98 . 16 1 1 A 19 19 LEU C C 19 178.362 178.798 -0.436 1
1 99 . 16 1 1 A 19 19 LEU CA C 19 57.464 57.674 -0.210 1
1 100 . 16 1 1 A 19 19 LEU CB C 19 42.092 41.433 0.659 1
1 104 . 16 1 1 A 19 19 LEU N N 19 118.862 120.533 -1.671 1
1 105 . 16 1 1 A 20 20 ARG H H 20 8.168 8.132 0.036 1
1 106 . 16 1 1 A 20 20 ARG HA H 20 3.899 4.006 -0.107 1
1 113 . 16 1 1 A 20 20 ARG C C 20 179.358 178.539 0.819 1
1 114 . 16 1 1 A 20 20 ARG CA C 20 59.641 59.217 0.424 1
1 115 . 16 1 1 A 20 20 ARG CB C 20 29.869 30.045 -0.176 1
1 118 . 16 1 1 A 20 20 ARG N N 20 118.228 119.042 -0.814 1
1 119 . 16 1 1 A 21 21 THR H H 21 7.592 7.973 -0.381 1
1 120 . 16 1 1 A 21 21 THR HA H 21 3.854 3.969 -0.115 1
1 125 . 16 1 1 A 21 21 THR C C 21 176.662 176.923 -0.261 1
1 126 . 16 1 1 A 21 21 THR CA C 21 66.646 67.165 -0.519 1
1 127 . 16 1 1 A 21 21 THR CB C 21 68.271 68.370 -0.099 1
1 129 . 16 1 1 A 21 21 THR N N 21 117.730 116.638 1.092 1
1 130 . 16 1 1 A 22 22 MET H H 22 7.910 7.871 0.039 1
1 131 . 16 1 1 A 22 22 MET HA H 22 3.537 4.185 -0.648 1
1 139 . 16 1 1 A 22 22 MET C C 22 177.099 178.781 -1.682 1
1 140 . 16 1 1 A 22 22 MET CA C 22 61.053 59.027 2.026 1
1 141 . 16 1 1 A 22 22 MET CB C 22 31.655 32.217 -0.562 1
1 144 . 16 1 1 A 22 22 MET N N 22 121.373 118.218 3.155 1
1 145 . 16 1 1 A 23 23 LYS H H 23 8.663 8.104 0.559 1
1 146 . 16 1 1 A 23 23 LYS HA H 23 4.037 4.249 -0.212 1
1 155 . 16 1 1 A 23 23 LYS C C 23 180.183 179.104 1.079 1
1 156 . 16 1 1 A 23 23 LYS CA C 23 60.743 60.234 0.509 1
1 157 . 16 1 1 A 23 23 LYS CB C 23 32.386 32.321 0.065 1
1 161 . 16 1 1 A 23 23 LYS N N 23 117.749 120.371 -2.622 1
1 162 . 16 1 1 A 24 24 SER H H 24 8.182 7.889 0.293 1
1 163 . 16 1 1 A 24 24 SER HA H 24 4.291 4.248 0.043 1
1 166 . 16 1 1 A 24 24 SER C C 24 176.298 176.883 -0.585 1
1 167 . 16 1 1 A 24 24 SER CA C 24 61.850 61.141 0.709 1
1 168 . 16 1 1 A 24 24 SER CB C 24 62.661 63.159 -0.498 1
1 169 . 16 1 1 A 24 24 SER N N 24 115.784 114.201 1.583 1
1 170 . 16 1 1 A 25 25 TYR H H 25 7.860 8.157 -0.297 1
1 171 . 16 1 1 A 25 25 TYR HA H 25 4.168 4.383 -0.215 1
1 178 . 16 1 1 A 25 25 TYR C C 25 177.731 177.816 -0.085 1
1 179 . 16 1 1 A 25 25 TYR CA C 25 62.168 61.709 0.459 1
1 180 . 16 1 1 A 25 25 TYR CB C 25 38.810 38.692 0.118 1
1 185 . 16 1 1 A 25 25 TYR N N 25 122.606 123.043 -0.437 1
1 186 . 16 1 1 A 26 26 PHE H H 26 9.057 8.561 0.496 1
1 187 . 16 1 1 A 26 26 PHE HA H 26 4.587 4.577 0.010 1
1 195 . 16 1 1 A 26 26 PHE C C 26 174.987 178.181 -3.194 1
1 196 . 16 1 1 A 26 26 PHE CA C 26 61.043 61.829 -0.786 1
1 197 . 16 1 1 A 26 26 PHE CB C 26 39.600 39.592 0.008 1
1 203 . 16 1 1 A 26 26 PHE N N 26 121.419 121.372 0.047 1
1 204 . 16 1 1 A 27 27 ALA H H 27 7.459 7.908 -0.449 1
1 205 . 16 1 1 A 27 27 ALA HA H 27 4.051 4.162 -0.111 1
1 209 . 16 1 1 A 27 27 ALA C C 27 178.775 180.207 -1.432 1
1 210 . 16 1 1 A 27 27 ALA CA C 27 54.233 55.120 -0.887 1
1 211 . 16 1 1 A 27 27 ALA CB C 27 18.405 18.791 -0.386 1
1 212 . 16 1 1 A 27 27 ALA N N 27 114.718 121.029 -6.311 1
1 213 . 16 1 1 A 28 28 ILE H H 28 7.405 7.623 -0.218 1
1 214 . 16 1 1 A 28 28 ILE HA H 28 3.985 3.820 0.165 1
1 224 . 16 1 1 A 28 28 ILE C C 28 176.055 175.967 0.088 1
1 225 . 16 1 1 A 28 28 ILE CA C 28 61.603 63.160 -1.557 1
1 226 . 16 1 1 A 28 28 ILE CB C 28 39.090 38.326 0.764 1
1 230 . 16 1 1 A 28 28 ILE N N 28 115.025 115.957 -0.932 1
1 231 . 16 1 1 A 29 29 ASN H H 29 8.087 7.825 0.262 1
1 232 . 16 1 1 A 29 29 ASN HA H 29 4.511 4.665 -0.154 1
1 237 . 16 1 1 A 29 29 ASN C C 29 172.947 174.531 -1.584 1
1 238 . 16 1 1 A 29 29 ASN CA C 29 52.594 52.578 0.016 1
1 239 . 16 1 1 A 29 29 ASN CB C 29 39.402 41.014 -1.612 1
1 240 . 16 1 1 A 29 29 ASN N N 29 119.219 115.634 3.585 1
1 242 . 16 1 1 A 30 30 HIS H H 30 8.408 8.568 -0.160 1
1 243 . 16 1 1 A 30 30 HIS HA H 30 4.499 4.567 -0.068 1
1 247 . 16 1 1 A 30 30 HIS C C 30 175.472 175.343 0.129 1
1 248 . 16 1 1 A 30 30 HIS CA C 30 55.538 58.125 -2.587 1
1 249 . 16 1 1 A 30 30 HIS CB C 30 31.578 30.114 1.464 1
1 251 . 16 1 1 A 30 30 HIS N N 30 120.962 122.395 -1.433 1
1 252 . 16 1 1 A 31 31 ASN H H 31 7.931 7.547 0.384 1
1 253 . 16 1 1 A 31 31 ASN HA H 31 5.099 5.032 0.067 1
1 258 . 16 1 1 A 31 31 ASN C C 31 170.762 172.432 -1.670 1
1 259 . 16 1 1 A 31 31 ASN CA C 31 51.130 50.656 0.474 1
1 260 . 16 1 1 A 31 31 ASN CB C 31 40.625 39.198 1.427 1
1 261 . 16 1 1 A 31 31 ASN N N 31 114.800 116.643 -1.843 1
1 263 . 16 1 1 A 32 32 PRO HA H 32 4.565 4.635 -0.070 1
1 270 . 16 1 1 A 32 32 PRO C C 32 176.832 176.459 0.373 1
1 271 . 16 1 1 A 32 32 PRO CA C 32 63.120 62.539 0.581 1
1 272 . 16 1 1 A 32 32 PRO CB C 32 31.715 32.127 -0.412 1
1 275 . 16 1 1 A 33 33 ASP H H 33 8.758 8.449 0.309 1
1 276 . 16 1 1 A 33 33 ASP HA H 33 4.526 4.718 -0.192 1
1 279 . 16 1 1 A 33 33 ASP C C 33 175.667 176.695 -1.028 1
1 280 . 16 1 1 A 33 33 ASP CA C 33 51.908 52.941 -1.033 1
1 281 . 16 1 1 A 33 33 ASP CB C 33 41.113 41.873 -0.760 1
1 282 . 16 1 1 A 33 33 ASP N N 33 123.573 121.666 1.907 1
1 283 . 16 1 1 A 34 34 ALA H H 34 8.274 8.898 -0.624 1
1 284 . 16 1 1 A 34 34 ALA HA H 34 3.914 3.949 -0.035 1
1 288 . 16 1 1 A 34 34 ALA C C 34 180.742 179.639 1.103 1
1 289 . 16 1 1 A 34 34 ALA CA C 34 56.073 55.819 0.254 1
1 290 . 16 1 1 A 34 34 ALA CB C 34 18.510 18.136 0.374 1
1 291 . 16 1 1 A 34 34 ALA N N 34 119.222 123.988 -4.766 1
1 292 . 16 1 1 A 35 35 LYS H H 35 7.931 8.127 -0.196 1
1 293 . 16 1 1 A 35 35 LYS HA H 35 4.019 3.912 0.107 1
1 302 . 16 1 1 A 35 35 LYS C C 35 179.430 178.317 1.113 1
1 303 . 16 1 1 A 35 35 LYS CA C 35 59.485 59.746 -0.261 1
1 304 . 16 1 1 A 35 35 LYS CB C 35 31.535 32.293 -0.758 1
1 308 . 16 1 1 A 35 35 LYS N N 35 119.343 118.206 1.137 1
1 309 . 16 1 1 A 36 36 ASP H H 36 8.611 7.952 0.659 1
1 310 . 16 1 1 A 36 36 ASP HA H 36 4.408 4.364 0.044 1
1 313 . 16 1 1 A 36 36 ASP C C 36 179.479 178.677 0.802 1
1 314 . 16 1 1 A 36 36 ASP CA C 36 57.090 57.052 0.038 1
1 315 . 16 1 1 A 36 36 ASP CB C 36 39.930 40.849 -0.919 1
1 316 . 16 1 1 A 36 36 ASP N N 36 123.478 119.832 3.646 1
1 317 . 16 1 1 A 37 37 LEU H H 37 8.743 8.342 0.401 1
1 318 . 16 1 1 A 37 37 LEU HA H 37 3.805 3.797 0.008 1
1 328 . 16 1 1 A 37 37 LEU C C 37 178.799 178.926 -0.127 1
1 329 . 16 1 1 A 37 37 LEU CA C 37 58.148 57.717 0.431 1
1 330 . 16 1 1 A 37 37 LEU CB C 37 42.233 41.718 0.515 1
1 334 . 16 1 1 A 37 37 LEU N N 37 120.010 120.096 -0.086 1
1 335 . 16 1 1 A 38 38 LYS H H 38 7.756 8.296 -0.540 1
1 336 . 16 1 1 A 38 38 LYS HA H 38 3.956 4.066 -0.110 1
1 343 . 16 1 1 A 38 38 LYS C C 38 179.090 178.463 0.627 1
1 344 . 16 1 1 A 38 38 LYS CA C 38 59.950 59.176 0.774 1
1 345 . 16 1 1 A 38 38 LYS CB C 38 32.315 32.161 0.154 1
1 349 . 16 1 1 A 38 38 LYS N N 38 120.326 117.937 2.389 1
1 350 . 16 1 1 A 39 39 GLN H H 39 7.634 7.430 0.204 1
1 351 . 16 1 1 A 39 39 GLN HA H 39 4.156 4.024 0.132 1
1 358 . 16 1 1 A 39 39 GLN C C 39 178.896 179.165 -0.269 1
1 359 . 16 1 1 A 39 39 GLN CA C 39 58.888 58.658 0.230 1
1 360 . 16 1 1 A 39 39 GLN CB C 39 28.441 28.116 0.325 1
1 362 . 16 1 1 A 39 39 GLN N N 39 119.272 119.190 0.082 1
1 364 . 16 1 1 A 40 40 LEU H H 40 8.541 8.035 0.506 1
1 365 . 16 1 1 A 40 40 LEU HA H 40 3.848 4.104 -0.256 1
1 375 . 16 1 1 A 40 40 LEU C C 40 180.256 178.900 1.356 1
1 376 . 16 1 1 A 40 40 LEU CA C 40 57.866 57.742 0.124 1
1 377 . 16 1 1 A 40 40 LEU CB C 40 43.074 40.901 2.173 1
1 381 . 16 1 1 A 40 40 LEU N N 40 120.555 120.333 0.222 1
1 382 . 16 1 1 A 41 41 ALA H H 41 8.633 8.495 0.138 1
1 383 . 16 1 1 A 41 41 ALA HA H 41 4.032 3.949 0.083 1
1 387 . 16 1 1 A 41 41 ALA C C 41 179.722 179.328 0.394 1
1 388 . 16 1 1 A 41 41 ALA CA C 41 55.923 55.353 0.570 1
1 389 . 16 1 1 A 41 41 ALA CB C 41 17.836 18.255 -0.419 1
1 390 . 16 1 1 A 41 41 ALA N N 41 127.288 121.179 6.109 1
1 391 . 16 1 1 A 42 42 GLN H H 42 7.698 7.217 0.481 1
1 392 . 16 1 1 A 42 42 GLN HA H 42 4.034 4.228 -0.194 1
1 399 . 16 1 1 A 42 42 GLN C C 42 178.848 178.230 0.618 1
1 400 . 16 1 1 A 42 42 GLN CA C 42 58.853 58.022 0.831 1
1 401 . 16 1 1 A 42 42 GLN CB C 42 28.276 28.860 -0.584 1
1 403 . 16 1 1 A 42 42 GLN N N 42 118.543 117.632 0.911 1
1 405 . 16 1 1 A 43 43 LYS H H 43 8.099 7.932 0.167 1
1 406 . 16 1 1 A 43 43 LYS HA H 43 4.172 4.098 0.074 1
1 415 . 16 1 1 A 43 43 LYS C C 43 178.581 178.033 0.548 1
1 416 . 16 1 1 A 43 43 LYS CA C 43 58.741 58.693 0.048 1
1 417 . 16 1 1 A 43 43 LYS CB C 43 34.128 32.407 1.721 1
1 421 . 16 1 1 A 43 43 LYS N N 43 116.650 119.463 -2.813 1
1 422 . 16 1 1 A 44 44 THR H H 44 8.053 7.728 0.325 1
1 423 . 16 1 1 A 44 44 THR HA H 44 4.517 4.597 -0.080 1
1 428 . 16 1 1 A 44 44 THR C C 44 176.104 175.975 0.129 1
1 429 . 16 1 1 A 44 44 THR CA C 44 63.114 61.841 1.273 1
1 430 . 16 1 1 A 44 44 THR CB C 44 72.379 71.088 1.291 1
1 432 . 16 1 1 A 44 44 THR N N 44 105.200 107.112 -1.912 1
1 433 . 16 1 1 A 45 45 GLY H H 45 8.327 8.133 0.194 1
1 434 . 16 1 1 A 45 45 GLY HA2 H 45 3.882 3.966 -0.084 1
1 435 . 16 1 1 A 45 45 GLY HA3 H 45 4.257 3.969 0.288 1
1 436 . 16 1 1 A 45 45 GLY C C 45 174.283 173.821 0.462 1
1 437 . 16 1 1 A 45 45 GLY CA C 45 45.950 45.226 0.724 1
1 438 . 16 1 1 A 45 45 GLY N N 45 111.805 111.547 0.258 1
1 439 . 16 1 1 A 46 46 LEU H H 46 7.710 7.851 -0.141 1
1 440 . 16 1 1 A 46 46 LEU HA H 46 4.692 4.446 0.246 1
1 450 . 16 1 1 A 46 46 LEU C C 46 176.249 175.975 0.274 1
1 451 . 16 1 1 A 46 46 LEU CA C 46 53.293 54.761 -1.468 1
1 452 . 16 1 1 A 46 46 LEU CB C 46 44.084 42.593 1.491 1
1 456 . 16 1 1 A 46 46 LEU N N 46 121.162 122.407 -1.245 1
1 457 . 16 1 1 A 47 47 THR H H 47 7.718 8.258 -0.540 1
1 458 . 16 1 1 A 47 47 THR HA H 47 4.379 4.732 -0.353 1
1 463 . 16 1 1 A 47 47 THR C C 47 175.594 174.937 0.657 1
1 464 . 16 1 1 A 47 47 THR CA C 47 60.475 59.914 0.561 1
1 465 . 16 1 1 A 47 47 THR CB C 47 71.045 71.312 -0.267 1
1 467 . 16 1 1 A 47 47 THR N N 47 107.953 114.369 -6.416 1
1 468 . 16 1 1 A 48 48 LYS H H 48 8.750 8.989 -0.239 1
1 469 . 16 1 1 A 48 48 LYS HA H 48 3.788 3.928 -0.140 1
1 478 . 16 1 1 A 48 48 LYS C C 48 178.119 178.298 -0.179 1
1 479 . 16 1 1 A 48 48 LYS CA C 48 60.816 60.147 0.669 1
1 480 . 16 1 1 A 48 48 LYS CB C 48 32.050 32.371 -0.321 1
1 484 . 16 1 1 A 48 48 LYS N N 48 120.566 126.682 -6.116 1
1 485 . 16 1 1 A 49 49 ARG H H 49 8.274 7.790 0.484 1
1 486 . 16 1 1 A 49 49 ARG HA H 49 4.214 4.092 0.122 1
1 492 . 16 1 1 A 49 49 ARG C C 49 178.216 178.675 -0.459 1
1 493 . 16 1 1 A 49 49 ARG CA C 49 59.170 59.098 0.072 1
1 494 . 16 1 1 A 49 49 ARG CB C 49 30.181 30.273 -0.092 1
1 497 . 16 1 1 A 49 49 ARG N N 49 116.915 119.373 -2.458 1
1 498 . 16 1 1 A 50 50 VAL H H 50 7.310 8.113 -0.803 1
1 499 . 16 1 1 A 50 50 VAL HA H 50 3.730 3.739 -0.009 1
1 507 . 16 1 1 A 50 50 VAL C C 50 179.406 178.256 1.150 1
1 508 . 16 1 1 A 50 50 VAL CA C 50 66.576 66.692 -0.116 1
1 509 . 16 1 1 A 50 50 VAL CB C 50 31.655 31.747 -0.092 1
1 512 . 16 1 1 A 50 50 VAL N N 50 119.540 119.702 -0.162 1
1 513 . 16 1 1 A 51 51 LEU H H 51 8.115 8.229 -0.114 1
1 514 . 16 1 1 A 51 51 LEU HA H 51 4.133 3.979 0.154 1
1 524 . 16 1 1 A 51 51 LEU C C 51 178.726 179.242 -0.516 1
1 525 . 16 1 1 A 51 51 LEU CA C 51 58.465 58.439 0.026 1
1 526 . 16 1 1 A 51 51 LEU CB C 51 43.173 41.783 1.390 1
1 530 . 16 1 1 A 51 51 LEU N N 51 120.715 118.932 1.783 1
1 531 . 16 1 1 A 52 52 GLN H H 52 8.981 8.474 0.507 1
1 532 . 16 1 1 A 52 52 GLN HA H 52 4.131 4.078 0.053 1
1 539 . 16 1 1 A 52 52 GLN C C 52 179.600 178.709 0.891 1
1 540 . 16 1 1 A 52 52 GLN CA C 52 60.226 58.795 1.431 1
1 541 . 16 1 1 A 52 52 GLN CB C 52 29.018 28.390 0.628 1
1 543 . 16 1 1 A 52 52 GLN N N 52 118.651 117.106 1.545 1
1 545 . 16 1 1 A 53 53 VAL H H 53 8.057 8.445 -0.388 1
1 546 . 16 1 1 A 53 53 VAL HA H 53 3.723 3.741 -0.018 1
1 554 . 16 1 1 A 53 53 VAL C C 53 177.755 178.457 -0.702 1
1 555 . 16 1 1 A 53 53 VAL CA C 53 66.646 66.749 -0.103 1
1 556 . 16 1 1 A 53 53 VAL CB C 53 32.196 31.730 0.466 1
1 559 . 16 1 1 A 53 53 VAL N N 53 120.778 120.000 0.778 1
1 560 . 16 1 1 A 54 54 TRP H H 54 8.377 8.534 -0.157 1
1 561 . 16 1 1 A 54 54 TRP HA H 54 4.036 4.237 -0.201 1
1 570 . 16 1 1 A 54 54 TRP C C 54 180.110 178.101 2.009 1
1 571 . 16 1 1 A 54 54 TRP CA C 54 63.543 61.371 2.172 1
1 572 . 16 1 1 A 54 54 TRP CB C 54 28.771 29.919 -1.148 1
1 578 . 16 1 1 A 54 54 TRP N N 54 122.326 121.292 1.034 1
1 580 . 16 1 1 A 55 55 PHE H H 55 9.196 8.717 0.479 1
1 581 . 16 1 1 A 55 55 PHE HA H 55 3.808 4.287 -0.479 1
1 589 . 16 1 1 A 55 55 PHE C C 55 177.973 178.371 -0.398 1
1 590 . 16 1 1 A 55 55 PHE CA C 55 63.557 62.194 1.363 1
1 591 . 16 1 1 A 55 55 PHE CB C 55 39.139 38.615 0.524 1
1 597 . 16 1 1 A 55 55 PHE N N 55 118.085 117.937 0.148 1
1 598 . 16 1 1 A 56 56 GLN H H 56 8.289 8.455 -0.166 1
1 599 . 16 1 1 A 56 56 GLN HA H 56 3.992 3.975 0.017 1
1 606 . 16 1 1 A 56 56 GLN C C 56 179.212 178.997 0.215 1
1 607 . 16 1 1 A 56 56 GLN CA C 56 59.699 59.509 0.190 1
1 608 . 16 1 1 A 56 56 GLN CB C 56 28.236 28.311 -0.075 1
1 610 . 16 1 1 A 56 56 GLN N N 56 119.990 117.896 2.094 1
1 612 . 16 1 1 A 57 57 ASN H H 57 8.244 8.082 0.162 1
1 613 . 16 1 1 A 57 57 ASN HA H 57 4.341 4.450 -0.109 1
1 618 . 16 1 1 A 57 57 ASN C C 57 177.124 177.864 -0.740 1
1 619 . 16 1 1 A 57 57 ASN CA C 57 55.820 56.180 -0.360 1
1 620 . 16 1 1 A 57 57 ASN CB C 57 38.025 38.119 -0.094 1
1 621 . 16 1 1 A 57 57 ASN N N 57 119.713 118.426 1.287 1
1 623 . 16 1 1 A 58 58 ALA H H 58 8.224 8.042 0.182 1
1 624 . 16 1 1 A 58 58 ALA HA H 58 3.323 3.687 -0.364 1
1 628 . 16 1 1 A 58 58 ALA C C 58 180.814 180.130 0.684 1
1 629 . 16 1 1 A 58 58 ALA CA C 58 54.712 55.024 -0.312 1
1 630 . 16 1 1 A 58 58 ALA CB C 58 16.697 17.947 -1.250 1
1 631 . 16 1 1 A 58 58 ALA N N 58 125.439 122.820 2.619 1
1 632 . 16 1 1 A 59 59 ARG H H 59 8.404 7.844 0.560 1
1 633 . 16 1 1 A 59 59 ARG HA H 59 4.009 4.153 -0.144 1
1 640 . 16 1 1 A 59 59 ARG C C 59 178.678 179.073 -0.395 1
1 641 . 16 1 1 A 59 59 ARG CA C 59 60.969 59.627 1.342 1
1 642 . 16 1 1 A 59 59 ARG CB C 59 31.491 29.955 1.536 1
1 645 . 16 1 1 A 59 59 ARG N N 59 118.829 117.923 0.906 1
1 646 . 16 1 1 A 60 60 ALA H H 60 7.711 7.982 -0.271 1
1 647 . 16 1 1 A 60 60 ALA HA H 60 4.162 4.059 0.103 1
1 651 . 16 1 1 A 60 60 ALA C C 60 180.086 179.193 0.893 1
1 652 . 16 1 1 A 60 60 ALA CA C 60 55.116 55.002 0.114 1
1 653 . 16 1 1 A 60 60 ALA CB C 60 17.993 18.341 -0.348 1
1 654 . 16 1 1 A 60 60 ALA N N 60 122.099 121.944 0.155 1
1 655 . 16 1 1 A 61 61 LYS H H 61 7.845 7.953 -0.108 1
1 656 . 16 1 1 A 61 61 LYS HA H 61 3.912 4.006 -0.094 1
1 665 . 16 1 1 A 61 61 LYS C C 61 177.876 178.314 -0.438 1
1 666 . 16 1 1 A 61 61 LYS CA C 61 58.699 59.394 -0.695 1
1 667 . 16 1 1 A 61 61 LYS CB C 61 32.412 32.262 0.150 1
1 671 . 16 1 1 A 61 61 LYS N N 61 118.453 118.593 -0.140 1
1 672 . 16 1 1 A 62 62 PHE H H 62 7.986 8.319 -0.333 1
1 673 . 16 1 1 A 62 62 PHE HA H 62 4.249 3.931 0.318 1
1 681 . 16 1 1 A 62 62 PHE C C 62 177.148 177.360 -0.212 1
1 682 . 16 1 1 A 62 62 PHE CA C 62 60.592 61.658 -1.066 1
1 683 . 16 1 1 A 62 62 PHE CB C 62 39.439 39.263 0.176 1
1 689 . 16 1 1 A 62 62 PHE N N 62 120.207 120.312 -0.105 1
1 690 . 16 1 1 A 63 63 ARG H H 63 8.034 7.837 0.197 1
1 691 . 16 1 1 A 63 63 ARG HA H 63 4.071 4.091 -0.020 1
1 698 . 16 1 1 A 63 63 ARG C C 63 177.342 178.726 -1.384 1
1 699 . 16 1 1 A 63 63 ARG CA C 63 58.068 59.366 -1.298 1
1 700 . 16 1 1 A 63 63 ARG CB C 63 30.282 29.642 0.640 1
1 703 . 16 1 1 A 63 63 ARG N N 63 119.257 118.012 1.245 1
1 704 . 16 1 1 A 64 64 ARG H H 64 7.956 8.327 -0.371 1
1 705 . 16 1 1 A 64 64 ARG HA H 64 4.096 4.076 0.020 1
1 712 . 16 1 1 A 64 64 ARG C C 64 177.366 178.508 -1.142 1
1 713 . 16 1 1 A 64 64 ARG CA C 64 57.971 59.042 -1.071 1
1 714 . 16 1 1 A 64 64 ARG CB C 64 30.419 29.965 0.454 1
1 717 . 16 1 1 A 64 64 ARG N N 64 119.492 120.547 -1.055 1
1 718 . 16 1 1 A 65 65 ASN H H 65 8.042 8.444 -0.402 1
1 719 . 16 1 1 A 65 65 ASN HA H 65 4.537 4.460 0.077 1
1 724 . 16 1 1 A 65 65 ASN C C 65 176.152 177.354 -1.202 1
1 725 . 16 1 1 A 65 65 ASN CA C 65 54.348 55.920 -1.572 1
1 726 . 16 1 1 A 65 65 ASN CB C 65 38.466 38.589 -0.123 1
1 727 . 16 1 1 A 65 65 ASN N N 65 117.555 118.483 -0.928 1
1 729 . 16 1 1 A 66 66 LEU H H 66 7.777 8.108 -0.331 1
1 730 . 16 1 1 A 66 66 LEU HA H 66 4.140 3.957 0.183 1
1 740 . 16 1 1 A 66 66 LEU C C 66 177.779 178.331 -0.552 1
1 741 . 16 1 1 A 66 66 LEU CA C 66 56.138 57.819 -1.681 1
1 742 . 16 1 1 A 66 66 LEU CB C 66 42.160 41.687 0.473 1
1 746 . 16 1 1 A 66 66 LEU N N 66 121.103 120.580 0.523 1
1 747 . 16 1 1 A 67 67 LEU H H 67 7.861 7.497 0.364 1
1 748 . 16 1 1 A 67 67 LEU HA H 67 4.252 4.337 -0.085 1
1 758 . 16 1 1 A 67 67 LEU C C 67 177.245 176.718 0.527 1
1 759 . 16 1 1 A 67 67 LEU CA C 67 55.445 57.231 -1.786 1
1 760 . 16 1 1 A 67 67 LEU CB C 67 42.122 41.535 0.587 1
1 764 . 16 1 1 A 67 67 LEU N N 67 120.121 114.915 5.206 1
1 765 . 16 1 1 A 68 68 ARG H H 68 7.963 7.672 0.291 1
1 766 . 16 1 1 A 68 68 ARG HA H 68 4.265 4.267 -0.002 1
1 773 . 16 1 1 A 68 68 ARG C C 68 175.934 175.827 0.107 1
1 774 . 16 1 1 A 68 68 ARG CA C 68 56.208 56.120 0.088 1
1 775 . 16 1 1 A 68 68 ARG CB C 68 30.839 30.899 -0.060 1
1 778 . 16 1 1 A 68 68 ARG N N 68 120.189 121.286 -1.097 1
1 779 . 16 1 1 A 69 69 GLN H H 69 8.303 8.438 -0.135 1
1 780 . 16 1 1 A 69 69 GLN HA H 69 4.320 4.298 0.022 1
1 787 . 16 1 1 A 69 69 GLN C C 69 175.740 174.609 1.131 1
1 788 . 16 1 1 A 69 69 GLN CA C 69 55.891 56.689 -0.798 1
1 789 . 16 1 1 A 69 69 GLN CB C 69 29.556 28.713 0.843 1
1 791 . 16 1 1 A 69 69 GLN N N 69 121.097 127.192 -6.095 1
1 793 . 16 1 1 A 70 70 GLU H H 70 8.391 8.523 -0.132 1
1 794 . 16 1 1 A 70 70 GLU HA H 70 4.290 4.996 -0.706 1
1 799 . 16 1 1 A 70 70 GLU C C 70 175.254 174.310 0.944 1
1 800 . 16 1 1 A 70 70 GLU CA C 70 56.490 54.440 2.050 1
1 801 . 16 1 1 A 70 70 GLU CB C 70 30.636 34.411 -3.775 1
1 803 . 16 1 1 A 70 70 GLU N N 70 122.138 126.240 -4.102 1
1 804 . 16 1 1 A 71 71 ASN H H 71 8.095 8.687 -0.592 1
1 805 . 16 1 1 A 71 71 ASN HA H 71 4.462 5.560 -1.098 1
1 810 . 16 1 1 A 71 71 ASN C C 71 179.333 173.867 5.466 1
1 811 . 16 1 1 A 71 71 ASN CA C 71 55.009 51.556 3.453 1
1 812 . 16 1 1 A 71 71 ASN CB C 71 41.051 42.804 -1.753 1
1 813 . 16 1 1 A 71 71 ASN N N 71 124.912 120.263 4.649 1
1 815 . 16 1 1 A 72 72 GLY HA2 H 72 3.944 4.163 -0.219 1
1 816 . 16 1 1 A 72 72 GLY HA3 H 72 3.872 4.167 -0.295 1
1 817 . 16 1 1 A 72 72 GLY C C 72 175.060 173.635 1.425 1
1 818 . 16 1 1 A 72 72 GLY CA C 72 45.579 45.695 -0.116 1
1 819 . 16 1 1 A 73 73 GLY H H 73 8.416 8.046 0.370 1
1 820 . 16 1 1 A 73 73 GLY HA2 H 73 3.947 3.979 -0.032 1
1 821 . 16 1 1 A 73 73 GLY HA3 H 73 3.947 3.981 -0.034 1
1 822 . 16 1 1 A 73 73 GLY C C 73 174.356 172.913 1.443 1
1 823 . 16 1 1 A 73 73 GLY CA C 73 45.280 46.703 -1.423 1
1 824 . 16 1 1 A 73 73 GLY N N 73 108.960 108.765 0.195 1
1 825 . 16 1 1 A 74 74 VAL H H 74 8.059 8.096 -0.037 1
1 826 . 16 1 1 A 74 74 VAL HA H 74 4.181 4.096 0.085 1
1 834 . 16 1 1 A 74 74 VAL C C 74 176.419 177.575 -1.156 1
1 835 . 16 1 1 A 74 74 VAL CA C 74 62.309 62.768 -0.459 1
1 836 . 16 1 1 A 74 74 VAL CB C 74 32.843 31.350 1.493 1
1 839 . 16 1 1 A 74 74 VAL N N 74 118.980 126.132 -7.152 1
1 840 . 16 1 1 A 75 75 SER H H 75 8.430 8.594 -0.164 1
1 841 . 16 1 1 A 75 75 SER HA H 75 4.493 4.240 0.253 1
1 844 . 16 1 1 A 75 75 SER C C 75 174.525 174.406 0.119 1
1 845 . 16 1 1 A 75 75 SER CA C 75 58.349 60.221 -1.872 1
1 846 . 16 1 1 A 75 75 SER CB C 75 63.880 63.747 0.133 1
1 847 . 16 1 1 A 75 75 SER N N 75 119.288 122.144 -2.856 1
1 848 . 16 1 1 A 76 76 GLY H H 76 8.206 7.636 0.570 1
1 849 . 16 1 1 A 76 76 GLY C C 76 171.757 172.774 -1.017 1
1 850 . 16 1 1 A 76 76 GLY CA C 76 44.642 44.534 0.108 1
1 851 . 16 1 1 A 76 76 GLY N N 76 110.769 108.427 2.342 1
1 852 . 16 1 1 A 79 79 SER HA H 79 4.474 4.852 -0.378 1
1 855 . 16 1 1 A 79 79 SER C C 79 173.918 173.063 0.855 1
1 856 . 16 1 1 A 79 79 SER CA C 79 58.430 57.599 0.831 1
1 857 . 16 1 1 A 79 79 SER CB C 79 64.045 67.326 -3.281 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.959 4.128 -0.169 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.959 4.132 -0.173 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.210 173.273 0.937 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.270 45.863 -0.593 1
1 5 . 17 1 1 A 8 8 LYS H H 8 7.993 7.965 0.028 1
1 6 . 17 1 1 A 8 8 LYS C C 8 176.347 176.596 -0.249 1
1 7 . 17 1 1 A 8 8 LYS CA C 8 62.168 55.780 6.388 1
1 8 . 17 1 1 A 8 8 LYS CB C 8 32.974 32.482 0.492 1
1 9 . 17 1 1 A 8 8 LYS N N 8 118.865 122.066 -3.201 1
1 10 . 17 1 1 A 12 12 THR HA H 12 4.227 4.865 -0.638 1
1 15 . 17 1 1 A 12 12 THR CA C 12 61.902 60.068 1.834 1
1 16 . 17 1 1 A 12 12 THR CB C 12 69.926 71.433 -1.507 1
1 18 . 17 1 1 A 13 13 SER HA H 13 4.401 5.075 -0.674 1
1 21 . 17 1 1 A 13 13 SER C C 13 173.627 172.560 1.067 1
1 22 . 17 1 1 A 13 13 SER CA C 13 57.513 56.135 1.378 1
1 23 . 17 1 1 A 13 13 SER CB C 13 63.880 64.956 -1.076 1
1 24 . 17 1 1 A 14 14 PHE H H 14 8.197 9.271 -1.074 1
1 25 . 17 1 1 A 14 14 PHE HA H 14 4.701 4.982 -0.281 1
1 33 . 17 1 1 A 14 14 PHE C C 14 176.177 175.849 0.328 1
1 34 . 17 1 1 A 14 14 PHE CA C 14 57.539 56.243 1.296 1
1 35 . 17 1 1 A 14 14 PHE CB C 14 41.041 41.802 -0.761 1
1 41 . 17 1 1 A 14 14 PHE N N 14 121.084 125.439 -4.355 1
1 42 . 17 1 1 A 15 15 LYS H H 15 8.548 8.938 -0.390 1
1 43 . 17 1 1 A 15 15 LYS HA H 15 4.449 4.393 0.056 1
1 51 . 17 1 1 A 15 15 LYS C C 15 178.532 178.240 0.292 1
1 52 . 17 1 1 A 15 15 LYS CA C 15 55.291 55.804 -0.513 1
1 53 . 17 1 1 A 15 15 LYS CB C 15 33.993 33.019 0.974 1
1 57 . 17 1 1 A 15 15 LYS N N 15 120.600 121.434 -0.834 1
1 58 . 17 1 1 A 16 16 HIS HA H 16 4.238 4.406 -0.168 1
1 62 . 17 1 1 A 16 16 HIS CA C 16 60.805 58.800 2.005 1
1 63 . 17 1 1 A 16 16 HIS CB C 16 30.416 29.257 1.159 1
1 65 . 17 1 1 A 17 17 HIS HA H 17 4.218 4.235 -0.017 1
1 69 . 17 1 1 A 17 17 HIS C C 17 177.731 177.806 -0.075 1
1 70 . 17 1 1 A 17 17 HIS CA C 17 58.994 59.342 -0.348 1
1 71 . 17 1 1 A 17 17 HIS CB C 17 29.627 30.056 -0.429 1
1 73 . 17 1 1 A 18 18 GLN H H 18 6.563 8.079 -1.516 1
1 74 . 17 1 1 A 18 18 GLN HA H 18 3.747 3.993 -0.246 1
1 81 . 17 1 1 A 18 18 GLN C C 18 177.051 178.073 -1.022 1
1 82 . 17 1 1 A 18 18 GLN CA C 18 58.148 58.440 -0.292 1
1 83 . 17 1 1 A 18 18 GLN CB C 18 27.752 28.535 -0.783 1
1 85 . 17 1 1 A 18 18 GLN N N 18 119.371 116.864 2.507 1
1 87 . 17 1 1 A 19 19 LEU H H 19 7.532 7.831 -0.299 1
1 88 . 17 1 1 A 19 19 LEU HA H 19 3.570 3.629 -0.059 1
1 98 . 17 1 1 A 19 19 LEU C C 19 178.362 178.900 -0.538 1
1 99 . 17 1 1 A 19 19 LEU CA C 19 57.464 57.762 -0.298 1
1 100 . 17 1 1 A 19 19 LEU CB C 19 42.092 41.437 0.655 1
1 104 . 17 1 1 A 19 19 LEU N N 19 118.862 120.124 -1.262 1
1 105 . 17 1 1 A 20 20 ARG H H 20 8.168 7.883 0.285 1
1 106 . 17 1 1 A 20 20 ARG HA H 20 3.899 3.938 -0.039 1
1 113 . 17 1 1 A 20 20 ARG C C 20 179.358 178.442 0.916 1
1 114 . 17 1 1 A 20 20 ARG CA C 20 59.641 59.145 0.496 1
1 115 . 17 1 1 A 20 20 ARG CB C 20 29.869 29.991 -0.122 1
1 118 . 17 1 1 A 20 20 ARG N N 20 118.228 119.665 -1.437 1
1 119 . 17 1 1 A 21 21 THR H H 21 7.592 7.643 -0.051 1
1 120 . 17 1 1 A 21 21 THR HA H 21 3.854 3.953 -0.099 1
1 125 . 17 1 1 A 21 21 THR C C 21 176.662 176.663 -0.001 1
1 126 . 17 1 1 A 21 21 THR CA C 21 66.646 66.923 -0.277 1
1 127 . 17 1 1 A 21 21 THR CB C 21 68.271 68.545 -0.274 1
1 129 . 17 1 1 A 21 21 THR N N 21 117.730 116.333 1.397 1
1 130 . 17 1 1 A 22 22 MET H H 22 7.910 7.832 0.078 1
1 131 . 17 1 1 A 22 22 MET HA H 22 3.537 4.186 -0.649 1
1 139 . 17 1 1 A 22 22 MET C C 22 177.099 178.733 -1.634 1
1 140 . 17 1 1 A 22 22 MET CA C 22 61.053 58.793 2.260 1
1 141 . 17 1 1 A 22 22 MET CB C 22 31.655 32.517 -0.862 1
1 144 . 17 1 1 A 22 22 MET N N 22 121.373 118.226 3.147 1
1 145 . 17 1 1 A 23 23 LYS H H 23 8.663 8.265 0.398 1
1 146 . 17 1 1 A 23 23 LYS HA H 23 4.037 4.238 -0.201 1
1 155 . 17 1 1 A 23 23 LYS C C 23 180.183 179.233 0.950 1
1 156 . 17 1 1 A 23 23 LYS CA C 23 60.743 60.280 0.463 1
1 157 . 17 1 1 A 23 23 LYS CB C 23 32.386 32.546 -0.160 1
1 161 . 17 1 1 A 23 23 LYS N N 23 117.749 120.411 -2.662 1
1 162 . 17 1 1 A 24 24 SER H H 24 8.182 7.836 0.346 1
1 163 . 17 1 1 A 24 24 SER HA H 24 4.291 4.352 -0.061 1
1 166 . 17 1 1 A 24 24 SER C C 24 176.298 175.830 0.468 1
1 167 . 17 1 1 A 24 24 SER CA C 24 61.850 62.451 -0.601 1
1 168 . 17 1 1 A 24 24 SER CB C 24 62.661 63.353 -0.692 1
1 169 . 17 1 1 A 24 24 SER N N 24 115.784 116.054 -0.270 1
1 170 . 17 1 1 A 25 25 TYR H H 25 7.860 8.098 -0.238 1
1 171 . 17 1 1 A 25 25 TYR HA H 25 4.168 4.402 -0.234 1
1 178 . 17 1 1 A 25 25 TYR C C 25 177.731 177.872 -0.141 1
1 179 . 17 1 1 A 25 25 TYR CA C 25 62.168 61.922 0.246 1
1 180 . 17 1 1 A 25 25 TYR CB C 25 38.810 38.677 0.133 1
1 185 . 17 1 1 A 25 25 TYR N N 25 122.606 123.167 -0.561 1
1 186 . 17 1 1 A 26 26 PHE H H 26 9.057 8.676 0.381 1
1 187 . 17 1 1 A 26 26 PHE HA H 26 4.587 4.463 0.124 1
1 195 . 17 1 1 A 26 26 PHE C C 26 174.987 178.007 -3.020 1
1 196 . 17 1 1 A 26 26 PHE CA C 26 61.043 61.765 -0.722 1
1 197 . 17 1 1 A 26 26 PHE CB C 26 39.600 39.430 0.170 1
1 203 . 17 1 1 A 26 26 PHE N N 26 121.419 121.164 0.255 1
1 204 . 17 1 1 A 27 27 ALA H H 27 7.459 8.073 -0.614 1
1 205 . 17 1 1 A 27 27 ALA HA H 27 4.051 4.073 -0.022 1
1 209 . 17 1 1 A 27 27 ALA C C 27 178.775 180.033 -1.258 1
1 210 . 17 1 1 A 27 27 ALA CA C 27 54.233 54.997 -0.764 1
1 211 . 17 1 1 A 27 27 ALA CB C 27 18.405 18.507 -0.102 1
1 212 . 17 1 1 A 27 27 ALA N N 27 114.718 120.934 -6.216 1
1 213 . 17 1 1 A 28 28 ILE H H 28 7.405 7.452 -0.047 1
1 214 . 17 1 1 A 28 28 ILE HA H 28 3.985 3.831 0.154 1
1 224 . 17 1 1 A 28 28 ILE C C 28 176.055 176.292 -0.237 1
1 225 . 17 1 1 A 28 28 ILE CA C 28 61.603 64.186 -2.583 1
1 226 . 17 1 1 A 28 28 ILE CB C 28 39.090 38.117 0.973 1
1 230 . 17 1 1 A 28 28 ILE N N 28 115.025 116.411 -1.386 1
1 231 . 17 1 1 A 29 29 ASN H H 29 8.087 8.009 0.078 1
1 232 . 17 1 1 A 29 29 ASN HA H 29 4.511 4.939 -0.428 1
1 237 . 17 1 1 A 29 29 ASN C C 29 172.947 175.252 -2.305 1
1 238 . 17 1 1 A 29 29 ASN CA C 29 52.594 52.382 0.212 1
1 239 . 17 1 1 A 29 29 ASN CB C 29 39.402 40.336 -0.934 1
1 240 . 17 1 1 A 29 29 ASN N N 29 119.219 117.118 2.101 1
1 242 . 17 1 1 A 30 30 HIS H H 30 8.408 8.837 -0.429 1
1 243 . 17 1 1 A 30 30 HIS HA H 30 4.499 4.370 0.129 1
1 247 . 17 1 1 A 30 30 HIS C C 30 175.472 175.564 -0.092 1
1 248 . 17 1 1 A 30 30 HIS CA C 30 55.538 58.391 -2.853 1
1 249 . 17 1 1 A 30 30 HIS CB C 30 31.578 29.932 1.646 1
1 251 . 17 1 1 A 30 30 HIS N N 30 120.962 122.403 -1.441 1
1 252 . 17 1 1 A 31 31 ASN H H 31 7.931 8.116 -0.185 1
1 253 . 17 1 1 A 31 31 ASN HA H 31 5.099 5.124 -0.025 1
1 258 . 17 1 1 A 31 31 ASN C C 31 170.762 172.507 -1.745 1
1 259 . 17 1 1 A 31 31 ASN CA C 31 51.130 50.729 0.401 1
1 260 . 17 1 1 A 31 31 ASN CB C 31 40.625 39.243 1.382 1
1 261 . 17 1 1 A 31 31 ASN N N 31 114.800 116.860 -2.060 1
1 263 . 17 1 1 A 32 32 PRO HA H 32 4.565 4.695 -0.130 1
1 270 . 17 1 1 A 32 32 PRO C C 32 176.832 175.781 1.051 1
1 271 . 17 1 1 A 32 32 PRO CA C 32 63.120 62.611 0.509 1
1 272 . 17 1 1 A 32 32 PRO CB C 32 31.715 32.313 -0.598 1
1 275 . 17 1 1 A 33 33 ASP H H 33 8.758 8.895 -0.137 1
1 276 . 17 1 1 A 33 33 ASP HA H 33 4.526 5.005 -0.479 1
1 279 . 17 1 1 A 33 33 ASP C C 33 175.667 177.435 -1.768 1
1 280 . 17 1 1 A 33 33 ASP CA C 33 51.908 52.585 -0.677 1
1 281 . 17 1 1 A 33 33 ASP CB C 33 41.113 42.879 -1.766 1
1 282 . 17 1 1 A 33 33 ASP N N 33 123.573 120.982 2.591 1
1 283 . 17 1 1 A 34 34 ALA H H 34 8.274 8.796 -0.522 1
1 284 . 17 1 1 A 34 34 ALA HA H 34 3.914 4.012 -0.098 1
1 288 . 17 1 1 A 34 34 ALA C C 34 180.742 179.288 1.454 1
1 289 . 17 1 1 A 34 34 ALA CA C 34 56.073 55.647 0.426 1
1 290 . 17 1 1 A 34 34 ALA CB C 34 18.510 18.501 0.009 1
1 291 . 17 1 1 A 34 34 ALA N N 34 119.222 123.022 -3.800 1
1 292 . 17 1 1 A 35 35 LYS H H 35 7.931 8.309 -0.378 1
1 293 . 17 1 1 A 35 35 LYS HA H 35 4.019 3.930 0.089 1
1 302 . 17 1 1 A 35 35 LYS C C 35 179.430 178.657 0.773 1
1 303 . 17 1 1 A 35 35 LYS CA C 35 59.485 59.885 -0.400 1
1 304 . 17 1 1 A 35 35 LYS CB C 35 31.535 32.280 -0.745 1
1 308 . 17 1 1 A 35 35 LYS N N 35 119.343 118.377 0.966 1
1 309 . 17 1 1 A 36 36 ASP H H 36 8.611 8.052 0.559 1
1 310 . 17 1 1 A 36 36 ASP HA H 36 4.408 4.465 -0.057 1
1 313 . 17 1 1 A 36 36 ASP C C 36 179.479 178.696 0.783 1
1 314 . 17 1 1 A 36 36 ASP CA C 36 57.090 57.200 -0.110 1
1 315 . 17 1 1 A 36 36 ASP CB C 36 39.930 40.675 -0.745 1
1 316 . 17 1 1 A 36 36 ASP N N 36 123.478 119.688 3.790 1
1 317 . 17 1 1 A 37 37 LEU H H 37 8.743 8.459 0.284 1
1 318 . 17 1 1 A 37 37 LEU HA H 37 3.805 3.739 0.066 1
1 328 . 17 1 1 A 37 37 LEU C C 37 178.799 179.058 -0.259 1
1 329 . 17 1 1 A 37 37 LEU CA C 37 58.148 57.743 0.405 1
1 330 . 17 1 1 A 37 37 LEU CB C 37 42.233 41.687 0.546 1
1 334 . 17 1 1 A 37 37 LEU N N 37 120.010 120.678 -0.668 1
1 335 . 17 1 1 A 38 38 LYS H H 38 7.756 8.496 -0.740 1
1 336 . 17 1 1 A 38 38 LYS HA H 38 3.956 3.990 -0.034 1
1 343 . 17 1 1 A 38 38 LYS C C 38 179.090 178.378 0.712 1
1 344 . 17 1 1 A 38 38 LYS CA C 38 59.950 59.049 0.901 1
1 345 . 17 1 1 A 38 38 LYS CB C 38 32.315 31.990 0.325 1
1 349 . 17 1 1 A 38 38 LYS N N 38 120.326 117.744 2.582 1
1 350 . 17 1 1 A 39 39 GLN H H 39 7.634 7.805 -0.171 1
1 351 . 17 1 1 A 39 39 GLN HA H 39 4.156 4.031 0.125 1
1 358 . 17 1 1 A 39 39 GLN C C 39 178.896 179.121 -0.225 1
1 359 . 17 1 1 A 39 39 GLN CA C 39 58.888 58.486 0.402 1
1 360 . 17 1 1 A 39 39 GLN CB C 39 28.441 28.049 0.392 1
1 362 . 17 1 1 A 39 39 GLN N N 39 119.272 119.096 0.176 1
1 364 . 17 1 1 A 40 40 LEU H H 40 8.541 8.114 0.427 1
1 365 . 17 1 1 A 40 40 LEU HA H 40 3.848 4.041 -0.193 1
1 375 . 17 1 1 A 40 40 LEU C C 40 180.256 178.743 1.513 1
1 376 . 17 1 1 A 40 40 LEU CA C 40 57.866 57.663 0.203 1
1 377 . 17 1 1 A 40 40 LEU CB C 40 43.074 41.499 1.575 1
1 381 . 17 1 1 A 40 40 LEU N N 40 120.555 120.583 -0.028 1
1 382 . 17 1 1 A 41 41 ALA H H 41 8.633 8.177 0.456 1
1 383 . 17 1 1 A 41 41 ALA HA H 41 4.032 3.919 0.113 1
1 387 . 17 1 1 A 41 41 ALA C C 41 179.722 179.247 0.475 1
1 388 . 17 1 1 A 41 41 ALA CA C 41 55.923 54.676 1.247 1
1 389 . 17 1 1 A 41 41 ALA CB C 41 17.836 18.488 -0.652 1
1 390 . 17 1 1 A 41 41 ALA N N 41 127.288 120.463 6.825 1
1 391 . 17 1 1 A 42 42 GLN H H 42 7.698 7.710 -0.012 1
1 392 . 17 1 1 A 42 42 GLN HA H 42 4.034 4.272 -0.238 1
1 399 . 17 1 1 A 42 42 GLN C C 42 178.848 178.114 0.734 1
1 400 . 17 1 1 A 42 42 GLN CA C 42 58.853 57.792 1.061 1
1 401 . 17 1 1 A 42 42 GLN CB C 42 28.276 29.497 -1.221 1
1 403 . 17 1 1 A 42 42 GLN N N 42 118.543 116.267 2.276 1
1 405 . 17 1 1 A 43 43 LYS H H 43 8.099 7.706 0.393 1
1 406 . 17 1 1 A 43 43 LYS HA H 43 4.172 4.086 0.086 1
1 415 . 17 1 1 A 43 43 LYS C C 43 178.581 177.908 0.673 1
1 416 . 17 1 1 A 43 43 LYS CA C 43 58.741 58.590 0.151 1
1 417 . 17 1 1 A 43 43 LYS CB C 43 34.128 32.546 1.582 1
1 421 . 17 1 1 A 43 43 LYS N N 43 116.650 119.505 -2.855 1
1 422 . 17 1 1 A 44 44 THR H H 44 8.053 7.651 0.402 1
1 423 . 17 1 1 A 44 44 THR HA H 44 4.517 4.526 -0.009 1
1 428 . 17 1 1 A 44 44 THR C C 44 176.104 176.052 0.052 1
1 429 . 17 1 1 A 44 44 THR CA C 44 63.114 62.090 1.024 1
1 430 . 17 1 1 A 44 44 THR CB C 44 72.379 71.554 0.825 1
1 432 . 17 1 1 A 44 44 THR N N 44 105.200 108.102 -2.902 1
1 433 . 17 1 1 A 45 45 GLY H H 45 8.327 8.210 0.117 1
1 434 . 17 1 1 A 45 45 GLY HA2 H 45 3.882 3.937 -0.055 1
1 435 . 17 1 1 A 45 45 GLY HA3 H 45 4.257 3.938 0.319 1
1 436 . 17 1 1 A 45 45 GLY C C 45 174.283 174.113 0.170 1
1 437 . 17 1 1 A 45 45 GLY CA C 45 45.950 45.000 0.950 1
1 438 . 17 1 1 A 45 45 GLY N N 45 111.805 111.221 0.584 1
1 439 . 17 1 1 A 46 46 LEU H H 46 7.710 7.521 0.189 1
1 440 . 17 1 1 A 46 46 LEU HA H 46 4.692 4.460 0.232 1
1 450 . 17 1 1 A 46 46 LEU C C 46 176.249 177.388 -1.139 1
1 451 . 17 1 1 A 46 46 LEU CA C 46 53.293 54.528 -1.235 1
1 452 . 17 1 1 A 46 46 LEU CB C 46 44.084 42.480 1.604 1
1 456 . 17 1 1 A 46 46 LEU N N 46 121.162 122.412 -1.250 1
1 457 . 17 1 1 A 47 47 THR H H 47 7.718 8.626 -0.908 1
1 458 . 17 1 1 A 47 47 THR HA H 47 4.379 4.688 -0.309 1
1 463 . 17 1 1 A 47 47 THR C C 47 175.594 175.563 0.031 1
1 464 . 17 1 1 A 47 47 THR CA C 47 60.475 60.434 0.041 1
1 465 . 17 1 1 A 47 47 THR CB C 47 71.045 71.583 -0.538 1
1 467 . 17 1 1 A 47 47 THR N N 47 107.953 113.052 -5.099 1
1 468 . 17 1 1 A 48 48 LYS H H 48 8.750 8.962 -0.212 1
1 469 . 17 1 1 A 48 48 LYS HA H 48 3.788 3.937 -0.149 1
1 478 . 17 1 1 A 48 48 LYS C C 48 178.119 177.922 0.197 1
1 479 . 17 1 1 A 48 48 LYS CA C 48 60.816 60.326 0.490 1
1 480 . 17 1 1 A 48 48 LYS CB C 48 32.050 32.038 0.012 1
1 484 . 17 1 1 A 48 48 LYS N N 48 120.566 122.510 -1.944 1
1 485 . 17 1 1 A 49 49 ARG H H 49 8.274 7.657 0.617 1
1 486 . 17 1 1 A 49 49 ARG HA H 49 4.214 4.126 0.088 1
1 492 . 17 1 1 A 49 49 ARG C C 49 178.216 178.768 -0.552 1
1 493 . 17 1 1 A 49 49 ARG CA C 49 59.170 58.884 0.286 1
1 494 . 17 1 1 A 49 49 ARG CB C 49 30.181 29.726 0.455 1
1 497 . 17 1 1 A 49 49 ARG N N 49 116.915 119.522 -2.607 1
1 498 . 17 1 1 A 50 50 VAL H H 50 7.310 7.580 -0.270 1
1 499 . 17 1 1 A 50 50 VAL HA H 50 3.730 3.715 0.015 1
1 507 . 17 1 1 A 50 50 VAL C C 50 179.406 178.509 0.897 1
1 508 . 17 1 1 A 50 50 VAL CA C 50 66.576 66.831 -0.255 1
1 509 . 17 1 1 A 50 50 VAL CB C 50 31.655 31.625 0.030 1
1 512 . 17 1 1 A 50 50 VAL N N 50 119.540 119.270 0.270 1
1 513 . 17 1 1 A 51 51 LEU H H 51 8.115 7.951 0.164 1
1 514 . 17 1 1 A 51 51 LEU HA H 51 4.133 3.966 0.167 1
1 524 . 17 1 1 A 51 51 LEU C C 51 178.726 179.004 -0.278 1
1 525 . 17 1 1 A 51 51 LEU CA C 51 58.465 58.478 -0.013 1
1 526 . 17 1 1 A 51 51 LEU CB C 51 43.173 41.814 1.359 1
1 530 . 17 1 1 A 51 51 LEU N N 51 120.715 119.677 1.038 1
1 531 . 17 1 1 A 52 52 GLN H H 52 8.981 8.308 0.673 1
1 532 . 17 1 1 A 52 52 GLN HA H 52 4.131 4.007 0.124 1
1 539 . 17 1 1 A 52 52 GLN C C 52 179.600 178.796 0.804 1
1 540 . 17 1 1 A 52 52 GLN CA C 52 60.226 58.846 1.380 1
1 541 . 17 1 1 A 52 52 GLN CB C 52 29.018 28.381 0.637 1
1 543 . 17 1 1 A 52 52 GLN N N 52 118.651 116.627 2.024 1
1 545 . 17 1 1 A 53 53 VAL H H 53 8.057 8.455 -0.398 1
1 546 . 17 1 1 A 53 53 VAL HA H 53 3.723 3.682 0.041 1
1 554 . 17 1 1 A 53 53 VAL C C 53 177.755 178.292 -0.537 1
1 555 . 17 1 1 A 53 53 VAL CA C 53 66.646 66.850 -0.204 1
1 556 . 17 1 1 A 53 53 VAL CB C 53 32.196 31.668 0.528 1
1 559 . 17 1 1 A 53 53 VAL N N 53 120.778 120.115 0.663 1
1 560 . 17 1 1 A 54 54 TRP H H 54 8.377 8.354 0.023 1
1 561 . 17 1 1 A 54 54 TRP HA H 54 4.036 4.173 -0.137 1
1 570 . 17 1 1 A 54 54 TRP C C 54 180.110 177.966 2.144 1
1 571 . 17 1 1 A 54 54 TRP CA C 54 63.543 61.100 2.443 1
1 572 . 17 1 1 A 54 54 TRP CB C 54 28.771 29.723 -0.952 1
1 578 . 17 1 1 A 54 54 TRP N N 54 122.326 121.303 1.023 1
1 580 . 17 1 1 A 55 55 PHE H H 55 9.196 8.825 0.371 1
1 581 . 17 1 1 A 55 55 PHE HA H 55 3.808 4.072 -0.264 1
1 589 . 17 1 1 A 55 55 PHE C C 55 177.973 178.322 -0.349 1
1 590 . 17 1 1 A 55 55 PHE CA C 55 63.557 62.049 1.508 1
1 591 . 17 1 1 A 55 55 PHE CB C 55 39.139 38.898 0.241 1
1 597 . 17 1 1 A 55 55 PHE N N 55 118.085 117.934 0.151 1
1 598 . 17 1 1 A 56 56 GLN H H 56 8.289 8.472 -0.183 1
1 599 . 17 1 1 A 56 56 GLN HA H 56 3.992 3.963 0.029 1
1 606 . 17 1 1 A 56 56 GLN C C 56 179.212 178.980 0.232 1
1 607 . 17 1 1 A 56 56 GLN CA C 56 59.699 59.283 0.416 1
1 608 . 17 1 1 A 56 56 GLN CB C 56 28.236 28.256 -0.020 1
1 610 . 17 1 1 A 56 56 GLN N N 56 119.990 117.483 2.507 1
1 612 . 17 1 1 A 57 57 ASN H H 57 8.244 8.289 -0.045 1
1 613 . 17 1 1 A 57 57 ASN HA H 57 4.341 4.361 -0.020 1
1 618 . 17 1 1 A 57 57 ASN C C 57 177.124 177.767 -0.643 1
1 619 . 17 1 1 A 57 57 ASN CA C 57 55.820 56.132 -0.312 1
1 620 . 17 1 1 A 57 57 ASN CB C 57 38.025 37.689 0.336 1
1 621 . 17 1 1 A 57 57 ASN N N 57 119.713 117.935 1.778 1
1 623 . 17 1 1 A 58 58 ALA H H 58 8.224 7.681 0.543 1
1 624 . 17 1 1 A 58 58 ALA HA H 58 3.323 3.617 -0.294 1
1 628 . 17 1 1 A 58 58 ALA C C 58 180.814 180.105 0.709 1
1 629 . 17 1 1 A 58 58 ALA CA C 58 54.712 54.967 -0.255 1
1 630 . 17 1 1 A 58 58 ALA CB C 58 16.697 17.313 -0.616 1
1 631 . 17 1 1 A 58 58 ALA N N 58 125.439 122.734 2.705 1
1 632 . 17 1 1 A 59 59 ARG H H 59 8.404 7.760 0.644 1
1 633 . 17 1 1 A 59 59 ARG HA H 59 4.009 4.239 -0.230 1
1 640 . 17 1 1 A 59 59 ARG C C 59 178.678 178.737 -0.059 1
1 641 . 17 1 1 A 59 59 ARG CA C 59 60.969 59.814 1.155 1
1 642 . 17 1 1 A 59 59 ARG CB C 59 31.491 30.027 1.464 1
1 645 . 17 1 1 A 59 59 ARG N N 59 118.829 117.932 0.897 1
1 646 . 17 1 1 A 60 60 ALA H H 60 7.711 7.620 0.091 1
1 647 . 17 1 1 A 60 60 ALA HA H 60 4.162 4.098 0.064 1
1 651 . 17 1 1 A 60 60 ALA C C 60 180.086 179.333 0.753 1
1 652 . 17 1 1 A 60 60 ALA CA C 60 55.116 54.900 0.216 1
1 653 . 17 1 1 A 60 60 ALA CB C 60 17.993 18.497 -0.504 1
1 654 . 17 1 1 A 60 60 ALA N N 60 122.099 121.470 0.629 1
1 655 . 17 1 1 A 61 61 LYS H H 61 7.845 7.865 -0.020 1
1 656 . 17 1 1 A 61 61 LYS HA H 61 3.912 4.012 -0.100 1
1 665 . 17 1 1 A 61 61 LYS C C 61 177.876 178.482 -0.606 1
1 666 . 17 1 1 A 61 61 LYS CA C 61 58.699 59.639 -0.940 1
1 667 . 17 1 1 A 61 61 LYS CB C 61 32.412 32.338 0.074 1
1 671 . 17 1 1 A 61 61 LYS N N 61 118.453 118.505 -0.052 1
1 672 . 17 1 1 A 62 62 PHE H H 62 7.986 7.961 0.025 1
1 673 . 17 1 1 A 62 62 PHE HA H 62 4.249 4.149 0.100 1
1 681 . 17 1 1 A 62 62 PHE C C 62 177.148 177.291 -0.143 1
1 682 . 17 1 1 A 62 62 PHE CA C 62 60.592 61.846 -1.254 1
1 683 . 17 1 1 A 62 62 PHE CB C 62 39.439 39.256 0.183 1
1 689 . 17 1 1 A 62 62 PHE N N 62 120.207 120.690 -0.483 1
1 690 . 17 1 1 A 63 63 ARG H H 63 8.034 8.596 -0.562 1
1 691 . 17 1 1 A 63 63 ARG HA H 63 4.071 4.176 -0.105 1
1 698 . 17 1 1 A 63 63 ARG C C 63 177.342 178.593 -1.251 1
1 699 . 17 1 1 A 63 63 ARG CA C 63 58.068 59.963 -1.895 1
1 700 . 17 1 1 A 63 63 ARG CB C 63 30.282 30.123 0.159 1
1 703 . 17 1 1 A 63 63 ARG N N 63 119.257 117.197 2.060 1
1 704 . 17 1 1 A 64 64 ARG H H 64 7.956 7.757 0.199 1
1 705 . 17 1 1 A 64 64 ARG HA H 64 4.096 4.011 0.085 1
1 712 . 17 1 1 A 64 64 ARG C C 64 177.366 178.291 -0.925 1
1 713 . 17 1 1 A 64 64 ARG CA C 64 57.971 59.321 -1.350 1
1 714 . 17 1 1 A 64 64 ARG CB C 64 30.419 30.038 0.381 1
1 717 . 17 1 1 A 64 64 ARG N N 64 119.492 119.120 0.372 1
1 718 . 17 1 1 A 65 65 ASN H H 65 8.042 7.793 0.249 1
1 719 . 17 1 1 A 65 65 ASN HA H 65 4.537 4.300 0.237 1
1 724 . 17 1 1 A 65 65 ASN C C 65 176.152 176.989 -0.837 1
1 725 . 17 1 1 A 65 65 ASN CA C 65 54.348 56.276 -1.928 1
1 726 . 17 1 1 A 65 65 ASN CB C 65 38.466 39.261 -0.795 1
1 727 . 17 1 1 A 65 65 ASN N N 65 117.555 117.645 -0.090 1
1 729 . 17 1 1 A 66 66 LEU H H 66 7.777 7.815 -0.038 1
1 730 . 17 1 1 A 66 66 LEU HA H 66 4.140 3.997 0.143 1
1 740 . 17 1 1 A 66 66 LEU C C 66 177.779 178.429 -0.650 1
1 741 . 17 1 1 A 66 66 LEU CA C 66 56.138 58.348 -2.210 1
1 742 . 17 1 1 A 66 66 LEU CB C 66 42.160 42.041 0.119 1
1 746 . 17 1 1 A 66 66 LEU N N 66 121.103 120.423 0.680 1
1 747 . 17 1 1 A 67 67 LEU H H 67 7.861 7.867 -0.006 1
1 748 . 17 1 1 A 67 67 LEU HA H 67 4.252 3.984 0.268 1
1 758 . 17 1 1 A 67 67 LEU C C 67 177.245 177.594 -0.349 1
1 759 . 17 1 1 A 67 67 LEU CA C 67 55.445 57.928 -2.483 1
1 760 . 17 1 1 A 67 67 LEU CB C 67 42.122 41.121 1.001 1
1 764 . 17 1 1 A 67 67 LEU N N 67 120.121 118.129 1.992 1
1 765 . 17 1 1 A 68 68 ARG H H 68 7.963 7.704 0.259 1
1 766 . 17 1 1 A 68 68 ARG HA H 68 4.265 4.153 0.112 1
1 773 . 17 1 1 A 68 68 ARG C C 68 175.934 176.094 -0.160 1
1 774 . 17 1 1 A 68 68 ARG CA C 68 56.208 56.115 0.093 1
1 775 . 17 1 1 A 68 68 ARG CB C 68 30.839 31.058 -0.219 1
1 778 . 17 1 1 A 68 68 ARG N N 68 120.189 120.187 0.002 1
1 779 . 17 1 1 A 69 69 GLN H H 69 8.303 8.767 -0.464 1
1 780 . 17 1 1 A 69 69 GLN HA H 69 4.320 4.440 -0.120 1
1 787 . 17 1 1 A 69 69 GLN C C 69 175.740 175.638 0.102 1
1 788 . 17 1 1 A 69 69 GLN CA C 69 55.891 55.093 0.798 1
1 789 . 17 1 1 A 69 69 GLN CB C 69 29.556 26.911 2.645 1
1 791 . 17 1 1 A 69 69 GLN N N 69 121.097 123.712 -2.615 1
1 793 . 17 1 1 A 70 70 GLU H H 70 8.391 8.396 -0.005 1
1 794 . 17 1 1 A 70 70 GLU HA H 70 4.290 4.522 -0.232 1
1 799 . 17 1 1 A 70 70 GLU C C 70 175.254 174.944 0.310 1
1 800 . 17 1 1 A 70 70 GLU CA C 70 56.490 56.211 0.279 1
1 801 . 17 1 1 A 70 70 GLU CB C 70 30.636 29.301 1.335 1
1 803 . 17 1 1 A 70 70 GLU N N 70 122.138 122.746 -0.608 1
1 804 . 17 1 1 A 71 71 ASN H H 71 8.095 7.722 0.373 1
1 805 . 17 1 1 A 71 71 ASN HA H 71 4.462 5.099 -0.637 1
1 810 . 17 1 1 A 71 71 ASN C C 71 179.333 173.409 5.924 1
1 811 . 17 1 1 A 71 71 ASN CA C 71 55.009 52.623 2.386 1
1 812 . 17 1 1 A 71 71 ASN CB C 71 41.051 42.132 -1.081 1
1 813 . 17 1 1 A 71 71 ASN N N 71 124.912 116.461 8.451 1
1 815 . 17 1 1 A 72 72 GLY HA2 H 72 3.944 4.167 -0.223 1
1 816 . 17 1 1 A 72 72 GLY HA3 H 72 3.872 4.168 -0.296 1
1 817 . 17 1 1 A 72 72 GLY C C 72 175.060 174.967 0.093 1
1 818 . 17 1 1 A 72 72 GLY CA C 72 45.579 45.118 0.461 1
1 819 . 17 1 1 A 73 73 GLY H H 73 8.416 8.382 0.034 1
1 820 . 17 1 1 A 73 73 GLY HA2 H 73 3.947 3.993 -0.046 1
1 821 . 17 1 1 A 73 73 GLY HA3 H 73 3.947 3.993 -0.046 1
1 822 . 17 1 1 A 73 73 GLY C C 73 174.356 174.772 -0.416 1
1 823 . 17 1 1 A 73 73 GLY CA C 73 45.280 45.175 0.105 1
1 824 . 17 1 1 A 73 73 GLY N N 73 108.960 113.977 -5.017 1
1 825 . 17 1 1 A 74 74 VAL H H 74 8.059 8.157 -0.098 1
1 826 . 17 1 1 A 74 74 VAL HA H 74 4.181 3.808 0.373 1
1 834 . 17 1 1 A 74 74 VAL C C 74 176.419 175.833 0.586 1
1 835 . 17 1 1 A 74 74 VAL CA C 74 62.309 63.079 -0.770 1
1 836 . 17 1 1 A 74 74 VAL CB C 74 32.843 30.083 2.760 1
1 839 . 17 1 1 A 74 74 VAL N N 74 118.980 122.007 -3.027 1
1 840 . 17 1 1 A 75 75 SER H H 75 8.430 7.810 0.620 1
1 841 . 17 1 1 A 75 75 SER HA H 75 4.493 4.210 0.283 1
1 844 . 17 1 1 A 75 75 SER C C 75 174.525 174.625 -0.100 1
1 845 . 17 1 1 A 75 75 SER CA C 75 58.349 59.764 -1.415 1
1 846 . 17 1 1 A 75 75 SER CB C 75 63.880 63.277 0.603 1
1 847 . 17 1 1 A 75 75 SER N N 75 119.288 118.153 1.135 1
1 848 . 17 1 1 A 76 76 GLY H H 76 8.206 8.338 -0.132 1
1 849 . 17 1 1 A 76 76 GLY C C 76 171.757 172.402 -0.645 1
1 850 . 17 1 1 A 76 76 GLY CA C 76 44.642 45.674 -1.032 1
1 851 . 17 1 1 A 76 76 GLY N N 76 110.769 113.421 -2.652 1
1 852 . 17 1 1 A 79 79 SER HA H 79 4.474 4.855 -0.381 1
1 855 . 17 1 1 A 79 79 SER C C 79 173.918 174.586 -0.668 1
1 856 . 17 1 1 A 79 79 SER CA C 79 58.430 57.279 1.151 1
1 857 . 17 1 1 A 79 79 SER CB C 79 64.045 65.508 -1.463 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.959 4.023 -0.064 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.959 4.024 -0.065 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.210 173.639 0.571 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.270 45.374 -0.104 1
1 5 . 18 1 1 A 8 8 LYS H H 8 7.993 7.819 0.174 1
1 6 . 18 1 1 A 8 8 LYS C C 8 176.347 175.473 0.874 1
1 7 . 18 1 1 A 8 8 LYS CA C 8 62.168 55.450 6.718 1
1 8 . 18 1 1 A 8 8 LYS CB C 8 32.974 35.195 -2.221 1
1 9 . 18 1 1 A 8 8 LYS N N 8 118.865 120.204 -1.339 1
1 10 . 18 1 1 A 12 12 THR HA H 12 4.227 5.027 -0.800 1
1 15 . 18 1 1 A 12 12 THR CA C 12 61.902 60.713 1.189 1
1 16 . 18 1 1 A 12 12 THR CB C 12 69.926 70.361 -0.435 1
1 18 . 18 1 1 A 13 13 SER HA H 13 4.401 4.761 -0.360 1
1 21 . 18 1 1 A 13 13 SER C C 13 173.627 174.464 -0.837 1
1 22 . 18 1 1 A 13 13 SER CA C 13 57.513 56.517 0.996 1
1 23 . 18 1 1 A 13 13 SER CB C 13 63.880 62.969 0.911 1
1 24 . 18 1 1 A 14 14 PHE H H 14 8.197 7.767 0.430 1
1 25 . 18 1 1 A 14 14 PHE HA H 14 4.701 4.691 0.010 1
1 33 . 18 1 1 A 14 14 PHE C C 14 176.177 175.554 0.623 1
1 34 . 18 1 1 A 14 14 PHE CA C 14 57.539 57.950 -0.411 1
1 35 . 18 1 1 A 14 14 PHE CB C 14 41.041 40.537 0.504 1
1 41 . 18 1 1 A 14 14 PHE N N 14 121.084 122.578 -1.494 1
1 42 . 18 1 1 A 15 15 LYS H H 15 8.548 8.958 -0.410 1
1 43 . 18 1 1 A 15 15 LYS HA H 15 4.449 4.449 0.000 1
1 51 . 18 1 1 A 15 15 LYS C C 15 178.532 177.597 0.935 1
1 52 . 18 1 1 A 15 15 LYS CA C 15 55.291 55.243 0.048 1
1 53 . 18 1 1 A 15 15 LYS CB C 15 33.993 33.369 0.624 1
1 57 . 18 1 1 A 15 15 LYS N N 15 120.600 120.372 0.228 1
1 58 . 18 1 1 A 16 16 HIS HA H 16 4.238 4.496 -0.258 1
1 62 . 18 1 1 A 16 16 HIS CA C 16 60.805 58.260 2.545 1
1 63 . 18 1 1 A 16 16 HIS CB C 16 30.416 29.629 0.787 1
1 65 . 18 1 1 A 17 17 HIS HA H 17 4.218 4.262 -0.044 1
1 69 . 18 1 1 A 17 17 HIS C C 17 177.731 177.659 0.072 1
1 70 . 18 1 1 A 17 17 HIS CA C 17 58.994 59.383 -0.389 1
1 71 . 18 1 1 A 17 17 HIS CB C 17 29.627 29.965 -0.338 1
1 73 . 18 1 1 A 18 18 GLN H H 18 6.563 8.046 -1.483 1
1 74 . 18 1 1 A 18 18 GLN HA H 18 3.747 3.986 -0.239 1
1 81 . 18 1 1 A 18 18 GLN C C 18 177.051 177.972 -0.921 1
1 82 . 18 1 1 A 18 18 GLN CA C 18 58.148 58.433 -0.285 1
1 83 . 18 1 1 A 18 18 GLN CB C 18 27.752 28.521 -0.769 1
1 85 . 18 1 1 A 18 18 GLN N N 18 119.371 116.859 2.512 1
1 87 . 18 1 1 A 19 19 LEU H H 19 7.532 8.195 -0.663 1
1 88 . 18 1 1 A 19 19 LEU HA H 19 3.570 3.617 -0.047 1
1 98 . 18 1 1 A 19 19 LEU C C 19 178.362 178.842 -0.480 1
1 99 . 18 1 1 A 19 19 LEU CA C 19 57.464 57.636 -0.172 1
1 100 . 18 1 1 A 19 19 LEU CB C 19 42.092 41.420 0.672 1
1 104 . 18 1 1 A 19 19 LEU N N 19 118.862 120.238 -1.376 1
1 105 . 18 1 1 A 20 20 ARG H H 20 8.168 7.729 0.439 1
1 106 . 18 1 1 A 20 20 ARG HA H 20 3.899 3.963 -0.064 1
1 113 . 18 1 1 A 20 20 ARG C C 20 179.358 178.252 1.106 1
1 114 . 18 1 1 A 20 20 ARG CA C 20 59.641 59.145 0.496 1
1 115 . 18 1 1 A 20 20 ARG CB C 20 29.869 30.054 -0.185 1
1 118 . 18 1 1 A 20 20 ARG N N 20 118.228 119.603 -1.375 1
1 119 . 18 1 1 A 21 21 THR H H 21 7.592 7.711 -0.119 1
1 120 . 18 1 1 A 21 21 THR HA H 21 3.854 3.934 -0.080 1
1 125 . 18 1 1 A 21 21 THR C C 21 176.662 176.966 -0.304 1
1 126 . 18 1 1 A 21 21 THR CA C 21 66.646 66.974 -0.328 1
1 127 . 18 1 1 A 21 21 THR CB C 21 68.271 68.428 -0.157 1
1 129 . 18 1 1 A 21 21 THR N N 21 117.730 116.441 1.289 1
1 130 . 18 1 1 A 22 22 MET H H 22 7.910 7.950 -0.040 1
1 131 . 18 1 1 A 22 22 MET HA H 22 3.537 4.155 -0.618 1
1 139 . 18 1 1 A 22 22 MET C C 22 177.099 178.770 -1.671 1
1 140 . 18 1 1 A 22 22 MET CA C 22 61.053 58.796 2.257 1
1 141 . 18 1 1 A 22 22 MET CB C 22 31.655 32.290 -0.635 1
1 144 . 18 1 1 A 22 22 MET N N 22 121.373 118.052 3.321 1
1 145 . 18 1 1 A 23 23 LYS H H 23 8.663 8.174 0.489 1
1 146 . 18 1 1 A 23 23 LYS HA H 23 4.037 4.227 -0.190 1
1 155 . 18 1 1 A 23 23 LYS C C 23 180.183 179.298 0.885 1
1 156 . 18 1 1 A 23 23 LYS CA C 23 60.743 60.208 0.535 1
1 157 . 18 1 1 A 23 23 LYS CB C 23 32.386 32.485 -0.099 1
1 161 . 18 1 1 A 23 23 LYS N N 23 117.749 120.562 -2.813 1
1 162 . 18 1 1 A 24 24 SER H H 24 8.182 7.862 0.320 1
1 163 . 18 1 1 A 24 24 SER HA H 24 4.291 4.291 0.000 1
1 166 . 18 1 1 A 24 24 SER C C 24 176.298 176.259 0.039 1
1 167 . 18 1 1 A 24 24 SER CA C 24 61.850 62.516 -0.666 1
1 168 . 18 1 1 A 24 24 SER CB C 24 62.661 63.611 -0.950 1
1 169 . 18 1 1 A 24 24 SER N N 24 115.784 115.828 -0.044 1
1 170 . 18 1 1 A 25 25 TYR H H 25 7.860 8.352 -0.492 1
1 171 . 18 1 1 A 25 25 TYR HA H 25 4.168 4.377 -0.209 1
1 178 . 18 1 1 A 25 25 TYR C C 25 177.731 177.824 -0.093 1
1 179 . 18 1 1 A 25 25 TYR CA C 25 62.168 61.848 0.320 1
1 180 . 18 1 1 A 25 25 TYR CB C 25 38.810 38.623 0.187 1
1 185 . 18 1 1 A 25 25 TYR N N 25 122.606 122.919 -0.313 1
1 186 . 18 1 1 A 26 26 PHE H H 26 9.057 8.539 0.518 1
1 187 . 18 1 1 A 26 26 PHE HA H 26 4.587 4.422 0.165 1
1 195 . 18 1 1 A 26 26 PHE C C 26 174.987 178.111 -3.124 1
1 196 . 18 1 1 A 26 26 PHE CA C 26 61.043 61.754 -0.711 1
1 197 . 18 1 1 A 26 26 PHE CB C 26 39.600 39.494 0.106 1
1 203 . 18 1 1 A 26 26 PHE N N 26 121.419 121.101 0.318 1
1 204 . 18 1 1 A 27 27 ALA H H 27 7.459 7.860 -0.401 1
1 205 . 18 1 1 A 27 27 ALA HA H 27 4.051 3.895 0.156 1
1 209 . 18 1 1 A 27 27 ALA C C 27 178.775 180.049 -1.274 1
1 210 . 18 1 1 A 27 27 ALA CA C 27 54.233 54.881 -0.648 1
1 211 . 18 1 1 A 27 27 ALA CB C 27 18.405 18.634 -0.229 1
1 212 . 18 1 1 A 27 27 ALA N N 27 114.718 120.885 -6.167 1
1 213 . 18 1 1 A 28 28 ILE H H 28 7.405 7.560 -0.155 1
1 214 . 18 1 1 A 28 28 ILE HA H 28 3.985 3.777 0.208 1
1 224 . 18 1 1 A 28 28 ILE C C 28 176.055 175.774 0.281 1
1 225 . 18 1 1 A 28 28 ILE CA C 28 61.603 63.477 -1.874 1
1 226 . 18 1 1 A 28 28 ILE CB C 28 39.090 38.088 1.002 1
1 230 . 18 1 1 A 28 28 ILE N N 28 115.025 115.667 -0.642 1
1 231 . 18 1 1 A 29 29 ASN H H 29 8.087 7.862 0.225 1
1 232 . 18 1 1 A 29 29 ASN HA H 29 4.511 4.785 -0.274 1
1 237 . 18 1 1 A 29 29 ASN C C 29 172.947 174.560 -1.613 1
1 238 . 18 1 1 A 29 29 ASN CA C 29 52.594 52.089 0.505 1
1 239 . 18 1 1 A 29 29 ASN CB C 29 39.402 41.031 -1.629 1
1 240 . 18 1 1 A 29 29 ASN N N 29 119.219 116.230 2.989 1
1 242 . 18 1 1 A 30 30 HIS H H 30 8.408 8.594 -0.186 1
1 243 . 18 1 1 A 30 30 HIS HA H 30 4.499 4.730 -0.231 1
1 247 . 18 1 1 A 30 30 HIS C C 30 175.472 175.462 0.010 1
1 248 . 18 1 1 A 30 30 HIS CA C 30 55.538 57.832 -2.294 1
1 249 . 18 1 1 A 30 30 HIS CB C 30 31.578 30.442 1.136 1
1 251 . 18 1 1 A 30 30 HIS N N 30 120.962 122.202 -1.240 1
1 252 . 18 1 1 A 31 31 ASN H H 31 7.931 8.066 -0.135 1
1 253 . 18 1 1 A 31 31 ASN HA H 31 5.099 5.147 -0.048 1
1 258 . 18 1 1 A 31 31 ASN C C 31 170.762 172.588 -1.826 1
1 259 . 18 1 1 A 31 31 ASN CA C 31 51.130 50.760 0.370 1
1 260 . 18 1 1 A 31 31 ASN CB C 31 40.625 39.259 1.366 1
1 261 . 18 1 1 A 31 31 ASN N N 31 114.800 117.026 -2.226 1
1 263 . 18 1 1 A 32 32 PRO HA H 32 4.565 4.673 -0.108 1
1 270 . 18 1 1 A 32 32 PRO C C 32 176.832 176.797 0.035 1
1 271 . 18 1 1 A 32 32 PRO CA C 32 63.120 62.625 0.495 1
1 272 . 18 1 1 A 32 32 PRO CB C 32 31.715 32.044 -0.329 1
1 275 . 18 1 1 A 33 33 ASP H H 33 8.758 8.615 0.143 1
1 276 . 18 1 1 A 33 33 ASP HA H 33 4.526 4.849 -0.323 1
1 279 . 18 1 1 A 33 33 ASP C C 33 175.667 177.413 -1.746 1
1 280 . 18 1 1 A 33 33 ASP CA C 33 51.908 53.318 -1.410 1
1 281 . 18 1 1 A 33 33 ASP CB C 33 41.113 41.866 -0.753 1
1 282 . 18 1 1 A 33 33 ASP N N 33 123.573 121.343 2.230 1
1 283 . 18 1 1 A 34 34 ALA H H 34 8.274 8.961 -0.687 1
1 284 . 18 1 1 A 34 34 ALA HA H 34 3.914 4.011 -0.097 1
1 288 . 18 1 1 A 34 34 ALA C C 34 180.742 179.341 1.401 1
1 289 . 18 1 1 A 34 34 ALA CA C 34 56.073 55.648 0.425 1
1 290 . 18 1 1 A 34 34 ALA CB C 34 18.510 18.480 0.030 1
1 291 . 18 1 1 A 34 34 ALA N N 34 119.222 123.495 -4.273 1
1 292 . 18 1 1 A 35 35 LYS H H 35 7.931 8.329 -0.398 1
1 293 . 18 1 1 A 35 35 LYS HA H 35 4.019 3.927 0.092 1
1 302 . 18 1 1 A 35 35 LYS C C 35 179.430 178.625 0.805 1
1 303 . 18 1 1 A 35 35 LYS CA C 35 59.485 59.831 -0.346 1
1 304 . 18 1 1 A 35 35 LYS CB C 35 31.535 32.388 -0.853 1
1 308 . 18 1 1 A 35 35 LYS N N 35 119.343 118.382 0.961 1
1 309 . 18 1 1 A 36 36 ASP H H 36 8.611 7.965 0.646 1
1 310 . 18 1 1 A 36 36 ASP HA H 36 4.408 4.460 -0.052 1
1 313 . 18 1 1 A 36 36 ASP C C 36 179.479 178.860 0.619 1
1 314 . 18 1 1 A 36 36 ASP CA C 36 57.090 57.027 0.063 1
1 315 . 18 1 1 A 36 36 ASP CB C 36 39.930 40.620 -0.690 1
1 316 . 18 1 1 A 36 36 ASP N N 36 123.478 119.615 3.863 1
1 317 . 18 1 1 A 37 37 LEU H H 37 8.743 8.271 0.472 1
1 318 . 18 1 1 A 37 37 LEU HA H 37 3.805 3.763 0.042 1
1 328 . 18 1 1 A 37 37 LEU C C 37 178.799 179.190 -0.391 1
1 329 . 18 1 1 A 37 37 LEU CA C 37 58.148 57.916 0.232 1
1 330 . 18 1 1 A 37 37 LEU CB C 37 42.233 41.577 0.656 1
1 334 . 18 1 1 A 37 37 LEU N N 37 120.010 120.655 -0.645 1
1 335 . 18 1 1 A 38 38 LYS H H 38 7.756 8.609 -0.853 1
1 336 . 18 1 1 A 38 38 LYS HA H 38 3.956 3.973 -0.017 1
1 343 . 18 1 1 A 38 38 LYS C C 38 179.090 178.531 0.559 1
1 344 . 18 1 1 A 38 38 LYS CA C 38 59.950 59.027 0.923 1
1 345 . 18 1 1 A 38 38 LYS CB C 38 32.315 31.849 0.466 1
1 349 . 18 1 1 A 38 38 LYS N N 38 120.326 117.963 2.363 1
1 350 . 18 1 1 A 39 39 GLN H H 39 7.634 8.081 -0.447 1
1 351 . 18 1 1 A 39 39 GLN HA H 39 4.156 4.018 0.138 1
1 358 . 18 1 1 A 39 39 GLN C C 39 178.896 179.235 -0.339 1
1 359 . 18 1 1 A 39 39 GLN CA C 39 58.888 58.498 0.390 1
1 360 . 18 1 1 A 39 39 GLN CB C 39 28.441 28.403 0.038 1
1 362 . 18 1 1 A 39 39 GLN N N 39 119.272 119.108 0.164 1
1 364 . 18 1 1 A 40 40 LEU H H 40 8.541 8.327 0.214 1
1 365 . 18 1 1 A 40 40 LEU HA H 40 3.848 3.918 -0.070 1
1 375 . 18 1 1 A 40 40 LEU C C 40 180.256 178.879 1.377 1
1 376 . 18 1 1 A 40 40 LEU CA C 40 57.866 57.754 0.112 1
1 377 . 18 1 1 A 40 40 LEU CB C 40 43.074 41.553 1.521 1
1 381 . 18 1 1 A 40 40 LEU N N 40 120.555 120.285 0.270 1
1 382 . 18 1 1 A 41 41 ALA H H 41 8.633 8.158 0.475 1
1 383 . 18 1 1 A 41 41 ALA HA H 41 4.032 3.921 0.111 1
1 387 . 18 1 1 A 41 41 ALA C C 41 179.722 179.399 0.323 1
1 388 . 18 1 1 A 41 41 ALA CA C 41 55.923 54.821 1.102 1
1 389 . 18 1 1 A 41 41 ALA CB C 41 17.836 18.256 -0.420 1
1 390 . 18 1 1 A 41 41 ALA N N 41 127.288 120.144 7.144 1
1 391 . 18 1 1 A 42 42 GLN H H 42 7.698 7.285 0.413 1
1 392 . 18 1 1 A 42 42 GLN HA H 42 4.034 4.179 -0.145 1
1 399 . 18 1 1 A 42 42 GLN C C 42 178.848 178.138 0.710 1
1 400 . 18 1 1 A 42 42 GLN CA C 42 58.853 57.837 1.016 1
1 401 . 18 1 1 A 42 42 GLN CB C 42 28.276 29.096 -0.820 1
1 403 . 18 1 1 A 42 42 GLN N N 42 118.543 116.385 2.158 1
1 405 . 18 1 1 A 43 43 LYS H H 43 8.099 7.577 0.522 1
1 406 . 18 1 1 A 43 43 LYS HA H 43 4.172 4.073 0.099 1
1 415 . 18 1 1 A 43 43 LYS C C 43 178.581 178.102 0.479 1
1 416 . 18 1 1 A 43 43 LYS CA C 43 58.741 58.680 0.061 1
1 417 . 18 1 1 A 43 43 LYS CB C 43 34.128 32.258 1.870 1
1 421 . 18 1 1 A 43 43 LYS N N 43 116.650 118.992 -2.342 1
1 422 . 18 1 1 A 44 44 THR H H 44 8.053 7.754 0.299 1
1 423 . 18 1 1 A 44 44 THR HA H 44 4.517 4.518 -0.001 1
1 428 . 18 1 1 A 44 44 THR C C 44 176.104 175.986 0.118 1
1 429 . 18 1 1 A 44 44 THR CA C 44 63.114 62.202 0.912 1
1 430 . 18 1 1 A 44 44 THR CB C 44 72.379 71.618 0.761 1
1 432 . 18 1 1 A 44 44 THR N N 44 105.200 107.566 -2.366 1
1 433 . 18 1 1 A 45 45 GLY H H 45 8.327 8.169 0.158 1
1 434 . 18 1 1 A 45 45 GLY HA2 H 45 3.882 3.930 -0.048 1
1 435 . 18 1 1 A 45 45 GLY HA3 H 45 4.257 3.931 0.326 1
1 436 . 18 1 1 A 45 45 GLY C C 45 174.283 174.169 0.114 1
1 437 . 18 1 1 A 45 45 GLY CA C 45 45.950 44.986 0.964 1
1 438 . 18 1 1 A 45 45 GLY N N 45 111.805 111.171 0.634 1
1 439 . 18 1 1 A 46 46 LEU H H 46 7.710 7.546 0.164 1
1 440 . 18 1 1 A 46 46 LEU HA H 46 4.692 4.502 0.190 1
1 450 . 18 1 1 A 46 46 LEU C C 46 176.249 175.801 0.448 1
1 451 . 18 1 1 A 46 46 LEU CA C 46 53.293 54.468 -1.175 1
1 452 . 18 1 1 A 46 46 LEU CB C 46 44.084 42.722 1.362 1
1 456 . 18 1 1 A 46 46 LEU N N 46 121.162 122.328 -1.166 1
1 457 . 18 1 1 A 47 47 THR H H 47 7.718 8.305 -0.587 1
1 458 . 18 1 1 A 47 47 THR HA H 47 4.379 4.693 -0.314 1
1 463 . 18 1 1 A 47 47 THR C C 47 175.594 175.198 0.396 1
1 464 . 18 1 1 A 47 47 THR CA C 47 60.475 59.806 0.669 1
1 465 . 18 1 1 A 47 47 THR CB C 47 71.045 70.379 0.666 1
1 467 . 18 1 1 A 47 47 THR N N 47 107.953 114.548 -6.595 1
1 468 . 18 1 1 A 48 48 LYS H H 48 8.750 8.949 -0.199 1
1 469 . 18 1 1 A 48 48 LYS HA H 48 3.788 3.882 -0.094 1
1 478 . 18 1 1 A 48 48 LYS C C 48 178.119 178.148 -0.029 1
1 479 . 18 1 1 A 48 48 LYS CA C 48 60.816 60.170 0.646 1
1 480 . 18 1 1 A 48 48 LYS CB C 48 32.050 32.330 -0.280 1
1 484 . 18 1 1 A 48 48 LYS N N 48 120.566 127.320 -6.754 1
1 485 . 18 1 1 A 49 49 ARG H H 49 8.274 7.770 0.504 1
1 486 . 18 1 1 A 49 49 ARG HA H 49 4.214 4.096 0.118 1
1 492 . 18 1 1 A 49 49 ARG C C 49 178.216 178.696 -0.480 1
1 493 . 18 1 1 A 49 49 ARG CA C 49 59.170 59.017 0.153 1
1 494 . 18 1 1 A 49 49 ARG CB C 49 30.181 30.076 0.105 1
1 497 . 18 1 1 A 49 49 ARG N N 49 116.915 119.234 -2.319 1
1 498 . 18 1 1 A 50 50 VAL H H 50 7.310 8.067 -0.757 1
1 499 . 18 1 1 A 50 50 VAL HA H 50 3.730 3.752 -0.022 1
1 507 . 18 1 1 A 50 50 VAL C C 50 179.406 178.608 0.798 1
1 508 . 18 1 1 A 50 50 VAL CA C 50 66.576 66.384 0.192 1
1 509 . 18 1 1 A 50 50 VAL CB C 50 31.655 31.678 -0.023 1
1 512 . 18 1 1 A 50 50 VAL N N 50 119.540 119.459 0.081 1
1 513 . 18 1 1 A 51 51 LEU H H 51 8.115 8.022 0.093 1
1 514 . 18 1 1 A 51 51 LEU HA H 51 4.133 4.127 0.006 1
1 524 . 18 1 1 A 51 51 LEU C C 51 178.726 179.051 -0.325 1
1 525 . 18 1 1 A 51 51 LEU CA C 51 58.465 58.200 0.265 1
1 526 . 18 1 1 A 51 51 LEU CB C 51 43.173 41.187 1.986 1
1 530 . 18 1 1 A 51 51 LEU N N 51 120.715 119.601 1.114 1
1 531 . 18 1 1 A 52 52 GLN H H 52 8.981 8.563 0.418 1
1 532 . 18 1 1 A 52 52 GLN HA H 52 4.131 4.037 0.094 1
1 539 . 18 1 1 A 52 52 GLN C C 52 179.600 178.732 0.868 1
1 540 . 18 1 1 A 52 52 GLN CA C 52 60.226 58.797 1.429 1
1 541 . 18 1 1 A 52 52 GLN CB C 52 29.018 28.418 0.600 1
1 543 . 18 1 1 A 52 52 GLN N N 52 118.651 117.712 0.939 1
1 545 . 18 1 1 A 53 53 VAL H H 53 8.057 8.139 -0.082 1
1 546 . 18 1 1 A 53 53 VAL HA H 53 3.723 3.736 -0.013 1
1 554 . 18 1 1 A 53 53 VAL C C 53 177.755 178.341 -0.586 1
1 555 . 18 1 1 A 53 53 VAL CA C 53 66.646 66.857 -0.211 1
1 556 . 18 1 1 A 53 53 VAL CB C 53 32.196 31.601 0.595 1
1 559 . 18 1 1 A 53 53 VAL N N 53 120.778 120.097 0.681 1
1 560 . 18 1 1 A 54 54 TRP H H 54 8.377 8.023 0.354 1
1 561 . 18 1 1 A 54 54 TRP HA H 54 4.036 4.214 -0.178 1
1 570 . 18 1 1 A 54 54 TRP C C 54 180.110 178.068 2.042 1
1 571 . 18 1 1 A 54 54 TRP CA C 54 63.543 61.154 2.389 1
1 572 . 18 1 1 A 54 54 TRP CB C 54 28.771 29.829 -1.058 1
1 578 . 18 1 1 A 54 54 TRP N N 54 122.326 121.620 0.706 1
1 580 . 18 1 1 A 55 55 PHE H H 55 9.196 8.729 0.467 1
1 581 . 18 1 1 A 55 55 PHE HA H 55 3.808 4.238 -0.430 1
1 589 . 18 1 1 A 55 55 PHE C C 55 177.973 178.312 -0.339 1
1 590 . 18 1 1 A 55 55 PHE CA C 55 63.557 62.193 1.364 1
1 591 . 18 1 1 A 55 55 PHE CB C 55 39.139 38.709 0.430 1
1 597 . 18 1 1 A 55 55 PHE N N 55 118.085 118.011 0.074 1
1 598 . 18 1 1 A 56 56 GLN H H 56 8.289 8.350 -0.061 1
1 599 . 18 1 1 A 56 56 GLN HA H 56 3.992 3.926 0.066 1
1 606 . 18 1 1 A 56 56 GLN C C 56 179.212 179.231 -0.019 1
1 607 . 18 1 1 A 56 56 GLN CA C 56 59.699 59.523 0.176 1
1 608 . 18 1 1 A 56 56 GLN CB C 56 28.236 28.579 -0.343 1
1 610 . 18 1 1 A 56 56 GLN N N 56 119.990 117.778 2.212 1
1 612 . 18 1 1 A 57 57 ASN H H 57 8.244 8.262 -0.018 1
1 613 . 18 1 1 A 57 57 ASN HA H 57 4.341 4.396 -0.055 1
1 618 . 18 1 1 A 57 57 ASN C C 57 177.124 177.947 -0.823 1
1 619 . 18 1 1 A 57 57 ASN CA C 57 55.820 56.222 -0.402 1
1 620 . 18 1 1 A 57 57 ASN CB C 57 38.025 37.879 0.146 1
1 621 . 18 1 1 A 57 57 ASN N N 57 119.713 117.949 1.764 1
1 623 . 18 1 1 A 58 58 ALA H H 58 8.224 7.925 0.299 1
1 624 . 18 1 1 A 58 58 ALA HA H 58 3.323 3.554 -0.231 1
1 628 . 18 1 1 A 58 58 ALA C C 58 180.814 179.892 0.922 1
1 629 . 18 1 1 A 58 58 ALA CA C 58 54.712 54.813 -0.101 1
1 630 . 18 1 1 A 58 58 ALA CB C 58 16.697 17.660 -0.963 1
1 631 . 18 1 1 A 58 58 ALA N N 58 125.439 122.500 2.939 1
1 632 . 18 1 1 A 59 59 ARG H H 59 8.404 7.682 0.722 1
1 633 . 18 1 1 A 59 59 ARG HA H 59 4.009 4.163 -0.154 1
1 640 . 18 1 1 A 59 59 ARG C C 59 178.678 178.852 -0.174 1
1 641 . 18 1 1 A 59 59 ARG CA C 59 60.969 59.720 1.249 1
1 642 . 18 1 1 A 59 59 ARG CB C 59 31.491 30.034 1.457 1
1 645 . 18 1 1 A 59 59 ARG N N 59 118.829 117.973 0.856 1
1 646 . 18 1 1 A 60 60 ALA H H 60 7.711 8.036 -0.325 1
1 647 . 18 1 1 A 60 60 ALA HA H 60 4.162 4.069 0.093 1
1 651 . 18 1 1 A 60 60 ALA C C 60 180.086 179.199 0.887 1
1 652 . 18 1 1 A 60 60 ALA CA C 60 55.116 54.971 0.145 1
1 653 . 18 1 1 A 60 60 ALA CB C 60 17.993 18.355 -0.362 1
1 654 . 18 1 1 A 60 60 ALA N N 60 122.099 121.669 0.430 1
1 655 . 18 1 1 A 61 61 LYS H H 61 7.845 8.090 -0.245 1
1 656 . 18 1 1 A 61 61 LYS HA H 61 3.912 4.010 -0.098 1
1 665 . 18 1 1 A 61 61 LYS C C 61 177.876 178.791 -0.915 1
1 666 . 18 1 1 A 61 61 LYS CA C 61 58.699 59.217 -0.518 1
1 667 . 18 1 1 A 61 61 LYS CB C 61 32.412 32.355 0.057 1
1 671 . 18 1 1 A 61 61 LYS N N 61 118.453 118.316 0.137 1
1 672 . 18 1 1 A 62 62 PHE H H 62 7.986 8.536 -0.550 1
1 673 . 18 1 1 A 62 62 PHE HA H 62 4.249 4.069 0.180 1
1 681 . 18 1 1 A 62 62 PHE C C 62 177.148 177.224 -0.076 1
1 682 . 18 1 1 A 62 62 PHE CA C 62 60.592 60.824 -0.232 1
1 683 . 18 1 1 A 62 62 PHE CB C 62 39.439 39.551 -0.112 1
1 689 . 18 1 1 A 62 62 PHE N N 62 120.207 120.641 -0.434 1
1 690 . 18 1 1 A 63 63 ARG H H 63 8.034 8.198 -0.164 1
1 691 . 18 1 1 A 63 63 ARG HA H 63 4.071 4.422 -0.351 1
1 698 . 18 1 1 A 63 63 ARG C C 63 177.342 177.722 -0.380 1
1 699 . 18 1 1 A 63 63 ARG CA C 63 58.068 58.197 -0.129 1
1 700 . 18 1 1 A 63 63 ARG CB C 63 30.282 30.023 0.259 1
1 703 . 18 1 1 A 63 63 ARG N N 63 119.257 118.096 1.161 1
1 704 . 18 1 1 A 64 64 ARG H H 64 7.956 8.125 -0.169 1
1 705 . 18 1 1 A 64 64 ARG HA H 64 4.096 4.140 -0.044 1
1 712 . 18 1 1 A 64 64 ARG C C 64 177.366 178.399 -1.033 1
1 713 . 18 1 1 A 64 64 ARG CA C 64 57.971 58.833 -0.862 1
1 714 . 18 1 1 A 64 64 ARG CB C 64 30.419 29.876 0.543 1
1 717 . 18 1 1 A 64 64 ARG N N 64 119.492 120.411 -0.919 1
1 718 . 18 1 1 A 65 65 ASN H H 65 8.042 7.606 0.436 1
1 719 . 18 1 1 A 65 65 ASN HA H 65 4.537 4.411 0.126 1
1 724 . 18 1 1 A 65 65 ASN C C 65 176.152 176.396 -0.244 1
1 725 . 18 1 1 A 65 65 ASN CA C 65 54.348 55.321 -0.973 1
1 726 . 18 1 1 A 65 65 ASN CB C 65 38.466 38.121 0.345 1
1 727 . 18 1 1 A 65 65 ASN N N 65 117.555 118.029 -0.474 1
1 729 . 18 1 1 A 66 66 LEU H H 66 7.777 7.638 0.139 1
1 730 . 18 1 1 A 66 66 LEU HA H 66 4.140 4.305 -0.165 1
1 740 . 18 1 1 A 66 66 LEU C C 66 177.779 178.538 -0.759 1
1 741 . 18 1 1 A 66 66 LEU CA C 66 56.138 56.081 0.057 1
1 742 . 18 1 1 A 66 66 LEU CB C 66 42.160 42.375 -0.215 1
1 746 . 18 1 1 A 66 66 LEU N N 66 121.103 116.689 4.414 1
1 747 . 18 1 1 A 67 67 LEU H H 67 7.861 7.763 0.098 1
1 748 . 18 1 1 A 67 67 LEU HA H 67 4.252 4.245 0.007 1
1 758 . 18 1 1 A 67 67 LEU C C 67 177.245 177.096 0.149 1
1 759 . 18 1 1 A 67 67 LEU CA C 67 55.445 57.535 -2.090 1
1 760 . 18 1 1 A 67 67 LEU CB C 67 42.122 41.701 0.421 1
1 764 . 18 1 1 A 67 67 LEU N N 67 120.121 113.721 6.400 1
1 765 . 18 1 1 A 68 68 ARG H H 68 7.963 7.199 0.764 1
1 766 . 18 1 1 A 68 68 ARG HA H 68 4.265 4.255 0.010 1
1 773 . 18 1 1 A 68 68 ARG C C 68 175.934 177.167 -1.233 1
1 774 . 18 1 1 A 68 68 ARG CA C 68 56.208 56.526 -0.318 1
1 775 . 18 1 1 A 68 68 ARG CB C 68 30.839 30.699 0.140 1
1 778 . 18 1 1 A 68 68 ARG N N 68 120.189 120.615 -0.426 1
1 779 . 18 1 1 A 69 69 GLN H H 69 8.303 8.902 -0.599 1
1 780 . 18 1 1 A 69 69 GLN HA H 69 4.320 4.015 0.305 1
1 787 . 18 1 1 A 69 69 GLN C C 69 175.740 176.303 -0.563 1
1 788 . 18 1 1 A 69 69 GLN CA C 69 55.891 58.958 -3.067 1
1 789 . 18 1 1 A 69 69 GLN CB C 69 29.556 28.222 1.334 1
1 791 . 18 1 1 A 69 69 GLN N N 69 121.097 120.734 0.363 1
1 793 . 18 1 1 A 70 70 GLU H H 70 8.391 8.059 0.332 1
1 794 . 18 1 1 A 70 70 GLU HA H 70 4.290 3.938 0.352 1
1 799 . 18 1 1 A 70 70 GLU C C 70 175.254 176.324 -1.070 1
1 800 . 18 1 1 A 70 70 GLU CA C 70 56.490 57.575 -1.085 1
1 801 . 18 1 1 A 70 70 GLU CB C 70 30.636 28.519 2.117 1
1 803 . 18 1 1 A 70 70 GLU N N 70 122.138 119.852 2.286 1
1 804 . 18 1 1 A 71 71 ASN H H 71 8.095 7.891 0.204 1
1 805 . 18 1 1 A 71 71 ASN HA H 71 4.462 4.558 -0.096 1
1 810 . 18 1 1 A 71 71 ASN C C 71 179.333 175.176 4.157 1
1 811 . 18 1 1 A 71 71 ASN CA C 71 55.009 54.456 0.553 1
1 812 . 18 1 1 A 71 71 ASN CB C 71 41.051 39.232 1.819 1
1 813 . 18 1 1 A 71 71 ASN N N 71 124.912 118.677 6.235 1
1 815 . 18 1 1 A 72 72 GLY HA2 H 72 3.944 4.063 -0.119 1
1 816 . 18 1 1 A 72 72 GLY HA3 H 72 3.872 4.063 -0.191 1
1 817 . 18 1 1 A 72 72 GLY C C 72 175.060 175.396 -0.336 1
1 818 . 18 1 1 A 72 72 GLY CA C 72 45.579 46.182 -0.603 1
1 819 . 18 1 1 A 73 73 GLY H H 73 8.416 7.954 0.462 1
1 820 . 18 1 1 A 73 73 GLY HA2 H 73 3.947 3.752 0.195 1
1 821 . 18 1 1 A 73 73 GLY HA3 H 73 3.947 3.753 0.194 1
1 822 . 18 1 1 A 73 73 GLY C C 73 174.356 174.441 -0.085 1
1 823 . 18 1 1 A 73 73 GLY CA C 73 45.280 46.896 -1.616 1
1 824 . 18 1 1 A 73 73 GLY N N 73 108.960 108.916 0.044 1
1 825 . 18 1 1 A 74 74 VAL H H 74 8.059 7.719 0.340 1
1 826 . 18 1 1 A 74 74 VAL HA H 74 4.181 3.997 0.184 1
1 834 . 18 1 1 A 74 74 VAL C C 74 176.419 177.311 -0.892 1
1 835 . 18 1 1 A 74 74 VAL CA C 74 62.309 62.453 -0.144 1
1 836 . 18 1 1 A 74 74 VAL CB C 74 32.843 32.423 0.420 1
1 839 . 18 1 1 A 74 74 VAL N N 74 118.980 121.682 -2.702 1
1 840 . 18 1 1 A 75 75 SER H H 75 8.430 8.842 -0.412 1
1 841 . 18 1 1 A 75 75 SER HA H 75 4.493 4.087 0.406 1
1 844 . 18 1 1 A 75 75 SER C C 75 174.525 174.804 -0.279 1
1 845 . 18 1 1 A 75 75 SER CA C 75 58.349 60.791 -2.442 1
1 846 . 18 1 1 A 75 75 SER CB C 75 63.880 63.763 0.117 1
1 847 . 18 1 1 A 75 75 SER N N 75 119.288 121.426 -2.138 1
1 848 . 18 1 1 A 76 76 GLY H H 76 8.206 7.904 0.302 1
1 849 . 18 1 1 A 76 76 GLY C C 76 171.757 174.476 -2.719 1
1 850 . 18 1 1 A 76 76 GLY CA C 76 44.642 46.037 -1.395 1
1 851 . 18 1 1 A 76 76 GLY N N 76 110.769 107.713 3.056 1
1 852 . 18 1 1 A 79 79 SER HA H 79 4.474 4.147 0.327 1
1 855 . 18 1 1 A 79 79 SER C C 79 173.918 174.310 -0.392 1
1 856 . 18 1 1 A 79 79 SER CA C 79 58.430 61.732 -3.302 1
1 857 . 18 1 1 A 79 79 SER CB C 79 64.045 62.968 1.077 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.959 4.068 -0.109 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.959 4.070 -0.111 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.210 172.885 1.325 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.270 43.722 1.548 1
1 5 . 19 1 1 A 8 8 LYS H H 8 7.993 8.383 -0.390 1
1 6 . 19 1 1 A 8 8 LYS C C 8 176.347 175.478 0.869 1
1 7 . 19 1 1 A 8 8 LYS CA C 8 62.168 54.846 7.322 1
1 8 . 19 1 1 A 8 8 LYS CB C 8 32.974 35.901 -2.927 1
1 9 . 19 1 1 A 8 8 LYS N N 8 118.865 119.865 -1.000 1
1 10 . 19 1 1 A 12 12 THR HA H 12 4.227 4.589 -0.362 1
1 15 . 19 1 1 A 12 12 THR CA C 12 61.902 60.775 1.127 1
1 16 . 19 1 1 A 12 12 THR CB C 12 69.926 70.592 -0.666 1
1 18 . 19 1 1 A 13 13 SER HA H 13 4.401 4.232 0.169 1
1 21 . 19 1 1 A 13 13 SER C C 13 173.627 173.195 0.432 1
1 22 . 19 1 1 A 13 13 SER CA C 13 57.513 58.938 -1.425 1
1 23 . 19 1 1 A 13 13 SER CB C 13 63.880 64.240 -0.360 1
1 24 . 19 1 1 A 14 14 PHE H H 14 8.197 8.800 -0.603 1
1 25 . 19 1 1 A 14 14 PHE HA H 14 4.701 5.074 -0.373 1
1 33 . 19 1 1 A 14 14 PHE C C 14 176.177 174.577 1.600 1
1 34 . 19 1 1 A 14 14 PHE CA C 14 57.539 56.712 0.827 1
1 35 . 19 1 1 A 14 14 PHE CB C 14 41.041 43.897 -2.856 1
1 41 . 19 1 1 A 14 14 PHE N N 14 121.084 119.072 2.012 1
1 42 . 19 1 1 A 15 15 LYS H H 15 8.548 8.625 -0.077 1
1 43 . 19 1 1 A 15 15 LYS HA H 15 4.449 4.618 -0.169 1
1 51 . 19 1 1 A 15 15 LYS C C 15 178.532 177.302 1.230 1
1 52 . 19 1 1 A 15 15 LYS CA C 15 55.291 54.287 1.004 1
1 53 . 19 1 1 A 15 15 LYS CB C 15 33.993 34.896 -0.903 1
1 57 . 19 1 1 A 15 15 LYS N N 15 120.600 119.817 0.783 1
1 58 . 19 1 1 A 16 16 HIS HA H 16 4.238 4.303 -0.065 1
1 62 . 19 1 1 A 16 16 HIS CA C 16 60.805 58.171 2.634 1
1 63 . 19 1 1 A 16 16 HIS CB C 16 30.416 29.031 1.385 1
1 65 . 19 1 1 A 17 17 HIS HA H 17 4.218 4.341 -0.123 1
1 69 . 19 1 1 A 17 17 HIS C C 17 177.731 177.926 -0.195 1
1 70 . 19 1 1 A 17 17 HIS CA C 17 58.994 59.072 -0.078 1
1 71 . 19 1 1 A 17 17 HIS CB C 17 29.627 29.859 -0.232 1
1 73 . 19 1 1 A 18 18 GLN H H 18 6.563 8.189 -1.626 1
1 74 . 19 1 1 A 18 18 GLN HA H 18 3.747 3.948 -0.201 1
1 81 . 19 1 1 A 18 18 GLN C C 18 177.051 178.074 -1.023 1
1 82 . 19 1 1 A 18 18 GLN CA C 18 58.148 58.417 -0.269 1
1 83 . 19 1 1 A 18 18 GLN CB C 18 27.752 28.600 -0.848 1
1 85 . 19 1 1 A 18 18 GLN N N 18 119.371 117.115 2.256 1
1 87 . 19 1 1 A 19 19 LEU H H 19 7.532 7.831 -0.299 1
1 88 . 19 1 1 A 19 19 LEU HA H 19 3.570 3.637 -0.067 1
1 98 . 19 1 1 A 19 19 LEU C C 19 178.362 178.763 -0.401 1
1 99 . 19 1 1 A 19 19 LEU CA C 19 57.464 57.709 -0.245 1
1 100 . 19 1 1 A 19 19 LEU CB C 19 42.092 41.096 0.996 1
1 104 . 19 1 1 A 19 19 LEU N N 19 118.862 120.644 -1.782 1
1 105 . 19 1 1 A 20 20 ARG H H 20 8.168 8.269 -0.101 1
1 106 . 19 1 1 A 20 20 ARG HA H 20 3.899 3.930 -0.031 1
1 113 . 19 1 1 A 20 20 ARG C C 20 179.358 178.440 0.918 1
1 114 . 19 1 1 A 20 20 ARG CA C 20 59.641 59.222 0.419 1
1 115 . 19 1 1 A 20 20 ARG CB C 20 29.869 30.034 -0.165 1
1 118 . 19 1 1 A 20 20 ARG N N 20 118.228 120.153 -1.925 1
1 119 . 19 1 1 A 21 21 THR H H 21 7.592 7.335 0.257 1
1 120 . 19 1 1 A 21 21 THR HA H 21 3.854 4.080 -0.226 1
1 125 . 19 1 1 A 21 21 THR C C 21 176.662 176.655 0.007 1
1 126 . 19 1 1 A 21 21 THR CA C 21 66.646 66.481 0.165 1
1 127 . 19 1 1 A 21 21 THR CB C 21 68.271 68.842 -0.571 1
1 129 . 19 1 1 A 21 21 THR N N 21 117.730 116.367 1.363 1
1 130 . 19 1 1 A 22 22 MET H H 22 7.910 7.728 0.182 1
1 131 . 19 1 1 A 22 22 MET HA H 22 3.537 4.063 -0.526 1
1 139 . 19 1 1 A 22 22 MET C C 22 177.099 178.642 -1.543 1
1 140 . 19 1 1 A 22 22 MET CA C 22 61.053 58.935 2.118 1
1 141 . 19 1 1 A 22 22 MET CB C 22 31.655 32.219 -0.564 1
1 144 . 19 1 1 A 22 22 MET N N 22 121.373 118.132 3.241 1
1 145 . 19 1 1 A 23 23 LYS H H 23 8.663 8.275 0.388 1
1 146 . 19 1 1 A 23 23 LYS HA H 23 4.037 4.217 -0.180 1
1 155 . 19 1 1 A 23 23 LYS C C 23 180.183 179.001 1.182 1
1 156 . 19 1 1 A 23 23 LYS CA C 23 60.743 60.249 0.494 1
1 157 . 19 1 1 A 23 23 LYS CB C 23 32.386 32.538 -0.152 1
1 161 . 19 1 1 A 23 23 LYS N N 23 117.749 119.884 -2.135 1
1 162 . 19 1 1 A 24 24 SER H H 24 8.182 7.719 0.463 1
1 163 . 19 1 1 A 24 24 SER HA H 24 4.291 4.198 0.093 1
1 166 . 19 1 1 A 24 24 SER C C 24 176.298 176.863 -0.565 1
1 167 . 19 1 1 A 24 24 SER CA C 24 61.850 61.203 0.647 1
1 168 . 19 1 1 A 24 24 SER CB C 24 62.661 63.172 -0.511 1
1 169 . 19 1 1 A 24 24 SER N N 24 115.784 114.318 1.466 1
1 170 . 19 1 1 A 25 25 TYR H H 25 7.860 7.825 0.035 1
1 171 . 19 1 1 A 25 25 TYR HA H 25 4.168 4.413 -0.245 1
1 178 . 19 1 1 A 25 25 TYR C C 25 177.731 177.932 -0.201 1
1 179 . 19 1 1 A 25 25 TYR CA C 25 62.168 61.703 0.465 1
1 180 . 19 1 1 A 25 25 TYR CB C 25 38.810 38.757 0.053 1
1 185 . 19 1 1 A 25 25 TYR N N 25 122.606 122.927 -0.321 1
1 186 . 19 1 1 A 26 26 PHE H H 26 9.057 8.615 0.442 1
1 187 . 19 1 1 A 26 26 PHE HA H 26 4.587 4.583 0.004 1
1 195 . 19 1 1 A 26 26 PHE C C 26 174.987 177.921 -2.934 1
1 196 . 19 1 1 A 26 26 PHE CA C 26 61.043 61.722 -0.679 1
1 197 . 19 1 1 A 26 26 PHE CB C 26 39.600 39.604 -0.004 1
1 203 . 19 1 1 A 26 26 PHE N N 26 121.419 121.155 0.264 1
1 204 . 19 1 1 A 27 27 ALA H H 27 7.459 7.801 -0.342 1
1 205 . 19 1 1 A 27 27 ALA HA H 27 4.051 4.059 -0.008 1
1 209 . 19 1 1 A 27 27 ALA C C 27 178.775 180.180 -1.405 1
1 210 . 19 1 1 A 27 27 ALA CA C 27 54.233 54.752 -0.519 1
1 211 . 19 1 1 A 27 27 ALA CB C 27 18.405 18.814 -0.409 1
1 212 . 19 1 1 A 27 27 ALA N N 27 114.718 120.772 -6.054 1
1 213 . 19 1 1 A 28 28 ILE H H 28 7.405 7.650 -0.245 1
1 214 . 19 1 1 A 28 28 ILE HA H 28 3.985 3.818 0.167 1
1 224 . 19 1 1 A 28 28 ILE C C 28 176.055 175.754 0.301 1
1 225 . 19 1 1 A 28 28 ILE CA C 28 61.603 63.298 -1.695 1
1 226 . 19 1 1 A 28 28 ILE CB C 28 39.090 38.373 0.717 1
1 230 . 19 1 1 A 28 28 ILE N N 28 115.025 115.976 -0.951 1
1 231 . 19 1 1 A 29 29 ASN H H 29 8.087 7.722 0.365 1
1 232 . 19 1 1 A 29 29 ASN HA H 29 4.511 4.833 -0.322 1
1 237 . 19 1 1 A 29 29 ASN C C 29 172.947 174.511 -1.564 1
1 238 . 19 1 1 A 29 29 ASN CA C 29 52.594 52.068 0.526 1
1 239 . 19 1 1 A 29 29 ASN CB C 29 39.402 40.966 -1.564 1
1 240 . 19 1 1 A 29 29 ASN N N 29 119.219 116.251 2.968 1
1 242 . 19 1 1 A 30 30 HIS H H 30 8.408 8.447 -0.039 1
1 243 . 19 1 1 A 30 30 HIS HA H 30 4.499 4.662 -0.163 1
1 247 . 19 1 1 A 30 30 HIS C C 30 175.472 175.478 -0.006 1
1 248 . 19 1 1 A 30 30 HIS CA C 30 55.538 57.973 -2.435 1
1 249 . 19 1 1 A 30 30 HIS CB C 30 31.578 30.518 1.060 1
1 251 . 19 1 1 A 30 30 HIS N N 30 120.962 122.071 -1.109 1
1 252 . 19 1 1 A 31 31 ASN H H 31 7.931 8.019 -0.088 1
1 253 . 19 1 1 A 31 31 ASN HA H 31 5.099 5.098 0.001 1
1 258 . 19 1 1 A 31 31 ASN C C 31 170.762 172.405 -1.643 1
1 259 . 19 1 1 A 31 31 ASN CA C 31 51.130 50.709 0.421 1
1 260 . 19 1 1 A 31 31 ASN CB C 31 40.625 39.242 1.383 1
1 261 . 19 1 1 A 31 31 ASN N N 31 114.800 116.840 -2.040 1
1 263 . 19 1 1 A 32 32 PRO HA H 32 4.565 4.692 -0.127 1
1 270 . 19 1 1 A 32 32 PRO C C 32 176.832 175.436 1.396 1
1 271 . 19 1 1 A 32 32 PRO CA C 32 63.120 62.535 0.585 1
1 272 . 19 1 1 A 32 32 PRO CB C 32 31.715 32.345 -0.630 1
1 275 . 19 1 1 A 33 33 ASP H H 33 8.758 8.570 0.188 1
1 276 . 19 1 1 A 33 33 ASP HA H 33 4.526 4.985 -0.459 1
1 279 . 19 1 1 A 33 33 ASP C C 33 175.667 176.920 -1.253 1
1 280 . 19 1 1 A 33 33 ASP CA C 33 51.908 52.743 -0.835 1
1 281 . 19 1 1 A 33 33 ASP CB C 33 41.113 43.231 -2.118 1
1 282 . 19 1 1 A 33 33 ASP N N 33 123.573 121.439 2.134 1
1 283 . 19 1 1 A 34 34 ALA H H 34 8.274 8.850 -0.576 1
1 284 . 19 1 1 A 34 34 ALA HA H 34 3.914 3.945 -0.031 1
1 288 . 19 1 1 A 34 34 ALA C C 34 180.742 179.571 1.171 1
1 289 . 19 1 1 A 34 34 ALA CA C 34 56.073 55.714 0.359 1
1 290 . 19 1 1 A 34 34 ALA CB C 34 18.510 18.205 0.305 1
1 291 . 19 1 1 A 34 34 ALA N N 34 119.222 127.156 -7.934 1
1 292 . 19 1 1 A 35 35 LYS H H 35 7.931 8.125 -0.194 1
1 293 . 19 1 1 A 35 35 LYS HA H 35 4.019 3.884 0.135 1
1 302 . 19 1 1 A 35 35 LYS C C 35 179.430 178.656 0.774 1
1 303 . 19 1 1 A 35 35 LYS CA C 35 59.485 59.844 -0.359 1
1 304 . 19 1 1 A 35 35 LYS CB C 35 31.535 32.268 -0.733 1
1 308 . 19 1 1 A 35 35 LYS N N 35 119.343 118.381 0.962 1
1 309 . 19 1 1 A 36 36 ASP H H 36 8.611 8.093 0.518 1
1 310 . 19 1 1 A 36 36 ASP HA H 36 4.408 4.365 0.043 1
1 313 . 19 1 1 A 36 36 ASP C C 36 179.479 178.855 0.624 1
1 314 . 19 1 1 A 36 36 ASP CA C 36 57.090 57.171 -0.081 1
1 315 . 19 1 1 A 36 36 ASP CB C 36 39.930 40.142 -0.212 1
1 316 . 19 1 1 A 36 36 ASP N N 36 123.478 119.879 3.599 1
1 317 . 19 1 1 A 37 37 LEU H H 37 8.743 8.125 0.618 1
1 318 . 19 1 1 A 37 37 LEU HA H 37 3.805 3.868 -0.063 1
1 328 . 19 1 1 A 37 37 LEU C C 37 178.799 178.873 -0.074 1
1 329 . 19 1 1 A 37 37 LEU CA C 37 58.148 57.943 0.205 1
1 330 . 19 1 1 A 37 37 LEU CB C 37 42.233 41.356 0.877 1
1 334 . 19 1 1 A 37 37 LEU N N 37 120.010 120.886 -0.876 1
1 335 . 19 1 1 A 38 38 LYS H H 38 7.756 8.611 -0.855 1
1 336 . 19 1 1 A 38 38 LYS HA H 38 3.956 4.017 -0.061 1
1 343 . 19 1 1 A 38 38 LYS C C 38 179.090 178.375 0.715 1
1 344 . 19 1 1 A 38 38 LYS CA C 38 59.950 59.115 0.835 1
1 345 . 19 1 1 A 38 38 LYS CB C 38 32.315 32.077 0.238 1
1 349 . 19 1 1 A 38 38 LYS N N 38 120.326 117.727 2.599 1
1 350 . 19 1 1 A 39 39 GLN H H 39 7.634 7.523 0.111 1
1 351 . 19 1 1 A 39 39 GLN HA H 39 4.156 4.062 0.094 1
1 358 . 19 1 1 A 39 39 GLN C C 39 178.896 179.094 -0.198 1
1 359 . 19 1 1 A 39 39 GLN CA C 39 58.888 58.299 0.589 1
1 360 . 19 1 1 A 39 39 GLN CB C 39 28.441 28.428 0.013 1
1 362 . 19 1 1 A 39 39 GLN N N 39 119.272 118.976 0.296 1
1 364 . 19 1 1 A 40 40 LEU H H 40 8.541 8.189 0.352 1
1 365 . 19 1 1 A 40 40 LEU HA H 40 3.848 3.973 -0.125 1
1 375 . 19 1 1 A 40 40 LEU C C 40 180.256 179.045 1.211 1
1 376 . 19 1 1 A 40 40 LEU CA C 40 57.866 57.813 0.053 1
1 377 . 19 1 1 A 40 40 LEU CB C 40 43.074 41.423 1.651 1
1 381 . 19 1 1 A 40 40 LEU N N 40 120.555 119.991 0.564 1
1 382 . 19 1 1 A 41 41 ALA H H 41 8.633 8.374 0.259 1
1 383 . 19 1 1 A 41 41 ALA HA H 41 4.032 3.922 0.110 1
1 387 . 19 1 1 A 41 41 ALA C C 41 179.722 179.085 0.637 1
1 388 . 19 1 1 A 41 41 ALA CA C 41 55.923 54.572 1.351 1
1 389 . 19 1 1 A 41 41 ALA CB C 41 17.836 18.532 -0.696 1
1 390 . 19 1 1 A 41 41 ALA N N 41 127.288 120.635 6.653 1
1 391 . 19 1 1 A 42 42 GLN H H 42 7.698 7.415 0.283 1
1 392 . 19 1 1 A 42 42 GLN HA H 42 4.034 4.235 -0.201 1
1 399 . 19 1 1 A 42 42 GLN C C 42 178.848 177.950 0.898 1
1 400 . 19 1 1 A 42 42 GLN CA C 42 58.853 57.754 1.099 1
1 401 . 19 1 1 A 42 42 GLN CB C 42 28.276 29.459 -1.183 1
1 403 . 19 1 1 A 42 42 GLN N N 42 118.543 116.444 2.099 1
1 405 . 19 1 1 A 43 43 LYS H H 43 8.099 7.755 0.344 1
1 406 . 19 1 1 A 43 43 LYS HA H 43 4.172 4.060 0.112 1
1 415 . 19 1 1 A 43 43 LYS C C 43 178.581 177.676 0.905 1
1 416 . 19 1 1 A 43 43 LYS CA C 43 58.741 58.581 0.160 1
1 417 . 19 1 1 A 43 43 LYS CB C 43 34.128 32.364 1.764 1
1 421 . 19 1 1 A 43 43 LYS N N 43 116.650 119.329 -2.679 1
1 422 . 19 1 1 A 44 44 THR H H 44 8.053 7.684 0.369 1
1 423 . 19 1 1 A 44 44 THR HA H 44 4.517 4.524 -0.007 1
1 428 . 19 1 1 A 44 44 THR C C 44 176.104 175.882 0.222 1
1 429 . 19 1 1 A 44 44 THR CA C 44 63.114 62.214 0.900 1
1 430 . 19 1 1 A 44 44 THR CB C 44 72.379 71.422 0.957 1
1 432 . 19 1 1 A 44 44 THR N N 44 105.200 107.966 -2.766 1
1 433 . 19 1 1 A 45 45 GLY H H 45 8.327 8.182 0.145 1
1 434 . 19 1 1 A 45 45 GLY HA2 H 45 3.882 3.967 -0.085 1
1 435 . 19 1 1 A 45 45 GLY HA3 H 45 4.257 3.969 0.288 1
1 436 . 19 1 1 A 45 45 GLY C C 45 174.283 174.197 0.086 1
1 437 . 19 1 1 A 45 45 GLY CA C 45 45.950 44.999 0.951 1
1 438 . 19 1 1 A 45 45 GLY N N 45 111.805 111.371 0.434 1
1 439 . 19 1 1 A 46 46 LEU H H 46 7.710 7.535 0.175 1
1 440 . 19 1 1 A 46 46 LEU HA H 46 4.692 4.497 0.195 1
1 450 . 19 1 1 A 46 46 LEU C C 46 176.249 176.148 0.101 1
1 451 . 19 1 1 A 46 46 LEU CA C 46 53.293 54.578 -1.285 1
1 452 . 19 1 1 A 46 46 LEU CB C 46 44.084 42.510 1.574 1
1 456 . 19 1 1 A 46 46 LEU N N 46 121.162 122.441 -1.279 1
1 457 . 19 1 1 A 47 47 THR H H 47 7.718 8.397 -0.679 1
1 458 . 19 1 1 A 47 47 THR HA H 47 4.379 4.703 -0.324 1
1 463 . 19 1 1 A 47 47 THR C C 47 175.594 175.204 0.390 1
1 464 . 19 1 1 A 47 47 THR CA C 47 60.475 60.059 0.416 1
1 465 . 19 1 1 A 47 47 THR CB C 47 71.045 70.707 0.338 1
1 467 . 19 1 1 A 47 47 THR N N 47 107.953 114.719 -6.766 1
1 468 . 19 1 1 A 48 48 LYS H H 48 8.750 8.997 -0.247 1
1 469 . 19 1 1 A 48 48 LYS HA H 48 3.788 3.927 -0.139 1
1 478 . 19 1 1 A 48 48 LYS C C 48 178.119 178.175 -0.056 1
1 479 . 19 1 1 A 48 48 LYS CA C 48 60.816 60.188 0.628 1
1 480 . 19 1 1 A 48 48 LYS CB C 48 32.050 32.189 -0.139 1
1 484 . 19 1 1 A 48 48 LYS N N 48 120.566 127.110 -6.544 1
1 485 . 19 1 1 A 49 49 ARG H H 49 8.274 7.755 0.519 1
1 486 . 19 1 1 A 49 49 ARG HA H 49 4.214 4.129 0.085 1
1 492 . 19 1 1 A 49 49 ARG C C 49 178.216 178.702 -0.486 1
1 493 . 19 1 1 A 49 49 ARG CA C 49 59.170 58.903 0.267 1
1 494 . 19 1 1 A 49 49 ARG CB C 49 30.181 29.849 0.332 1
1 497 . 19 1 1 A 49 49 ARG N N 49 116.915 119.325 -2.410 1
1 498 . 19 1 1 A 50 50 VAL H H 50 7.310 8.025 -0.715 1
1 499 . 19 1 1 A 50 50 VAL HA H 50 3.730 3.694 0.036 1
1 507 . 19 1 1 A 50 50 VAL C C 50 179.406 178.175 1.231 1
1 508 . 19 1 1 A 50 50 VAL CA C 50 66.576 66.657 -0.081 1
1 509 . 19 1 1 A 50 50 VAL CB C 50 31.655 31.742 -0.087 1
1 512 . 19 1 1 A 50 50 VAL N N 50 119.540 119.457 0.083 1
1 513 . 19 1 1 A 51 51 LEU H H 51 8.115 8.313 -0.198 1
1 514 . 19 1 1 A 51 51 LEU HA H 51 4.133 3.945 0.188 1
1 524 . 19 1 1 A 51 51 LEU C C 51 178.726 179.058 -0.332 1
1 525 . 19 1 1 A 51 51 LEU CA C 51 58.465 58.276 0.189 1
1 526 . 19 1 1 A 51 51 LEU CB C 51 43.173 41.709 1.464 1
1 530 . 19 1 1 A 51 51 LEU N N 51 120.715 119.278 1.437 1
1 531 . 19 1 1 A 52 52 GLN H H 52 8.981 8.408 0.573 1
1 532 . 19 1 1 A 52 52 GLN HA H 52 4.131 4.047 0.084 1
1 539 . 19 1 1 A 52 52 GLN C C 52 179.600 178.575 1.025 1
1 540 . 19 1 1 A 52 52 GLN CA C 52 60.226 58.785 1.441 1
1 541 . 19 1 1 A 52 52 GLN CB C 52 29.018 28.590 0.428 1
1 543 . 19 1 1 A 52 52 GLN N N 52 118.651 116.765 1.886 1
1 545 . 19 1 1 A 53 53 VAL H H 53 8.057 8.343 -0.286 1
1 546 . 19 1 1 A 53 53 VAL HA H 53 3.723 3.728 -0.005 1
1 554 . 19 1 1 A 53 53 VAL C C 53 177.755 178.327 -0.572 1
1 555 . 19 1 1 A 53 53 VAL CA C 53 66.646 66.710 -0.064 1
1 556 . 19 1 1 A 53 53 VAL CB C 53 32.196 31.704 0.492 1
1 559 . 19 1 1 A 53 53 VAL N N 53 120.778 120.054 0.724 1
1 560 . 19 1 1 A 54 54 TRP H H 54 8.377 8.396 -0.019 1
1 561 . 19 1 1 A 54 54 TRP HA H 54 4.036 4.183 -0.147 1
1 570 . 19 1 1 A 54 54 TRP C C 54 180.110 178.085 2.025 1
1 571 . 19 1 1 A 54 54 TRP CA C 54 63.543 61.114 2.429 1
1 572 . 19 1 1 A 54 54 TRP CB C 54 28.771 29.746 -0.975 1
1 578 . 19 1 1 A 54 54 TRP N N 54 122.326 121.599 0.727 1
1 580 . 19 1 1 A 55 55 PHE H H 55 9.196 8.711 0.485 1
1 581 . 19 1 1 A 55 55 PHE HA H 55 3.808 4.106 -0.298 1
1 589 . 19 1 1 A 55 55 PHE C C 55 177.973 178.386 -0.413 1
1 590 . 19 1 1 A 55 55 PHE CA C 55 63.557 62.123 1.434 1
1 591 . 19 1 1 A 55 55 PHE CB C 55 39.139 38.862 0.277 1
1 597 . 19 1 1 A 55 55 PHE N N 55 118.085 118.032 0.053 1
1 598 . 19 1 1 A 56 56 GLN H H 56 8.289 8.432 -0.143 1
1 599 . 19 1 1 A 56 56 GLN HA H 56 3.992 3.981 0.011 1
1 606 . 19 1 1 A 56 56 GLN C C 56 179.212 179.001 0.211 1
1 607 . 19 1 1 A 56 56 GLN CA C 56 59.699 59.407 0.292 1
1 608 . 19 1 1 A 56 56 GLN CB C 56 28.236 28.497 -0.261 1
1 610 . 19 1 1 A 56 56 GLN N N 56 119.990 117.469 2.521 1
1 612 . 19 1 1 A 57 57 ASN H H 57 8.244 8.263 -0.019 1
1 613 . 19 1 1 A 57 57 ASN HA H 57 4.341 4.376 -0.035 1
1 618 . 19 1 1 A 57 57 ASN C C 57 177.124 177.985 -0.861 1
1 619 . 19 1 1 A 57 57 ASN CA C 57 55.820 56.158 -0.338 1
1 620 . 19 1 1 A 57 57 ASN CB C 57 38.025 37.619 0.406 1
1 621 . 19 1 1 A 57 57 ASN N N 57 119.713 118.043 1.670 1
1 623 . 19 1 1 A 58 58 ALA H H 58 8.224 7.774 0.450 1
1 624 . 19 1 1 A 58 58 ALA HA H 58 3.323 3.688 -0.365 1
1 628 . 19 1 1 A 58 58 ALA C C 58 180.814 179.854 0.960 1
1 629 . 19 1 1 A 58 58 ALA CA C 58 54.712 55.019 -0.307 1
1 630 . 19 1 1 A 58 58 ALA CB C 58 16.697 17.811 -1.114 1
1 631 . 19 1 1 A 58 58 ALA N N 58 125.439 122.853 2.586 1
1 632 . 19 1 1 A 59 59 ARG H H 59 8.404 7.853 0.551 1
1 633 . 19 1 1 A 59 59 ARG HA H 59 4.009 4.242 -0.233 1
1 640 . 19 1 1 A 59 59 ARG C C 59 178.678 179.051 -0.373 1
1 641 . 19 1 1 A 59 59 ARG CA C 59 60.969 59.769 1.200 1
1 642 . 19 1 1 A 59 59 ARG CB C 59 31.491 30.162 1.329 1
1 645 . 19 1 1 A 59 59 ARG N N 59 118.829 118.103 0.726 1
1 646 . 19 1 1 A 60 60 ALA H H 60 7.711 7.562 0.149 1
1 647 . 19 1 1 A 60 60 ALA HA H 60 4.162 4.118 0.044 1
1 651 . 19 1 1 A 60 60 ALA C C 60 180.086 179.233 0.853 1
1 652 . 19 1 1 A 60 60 ALA CA C 60 55.116 55.361 -0.245 1
1 653 . 19 1 1 A 60 60 ALA CB C 60 17.993 18.165 -0.172 1
1 654 . 19 1 1 A 60 60 ALA N N 60 122.099 121.564 0.535 1
1 655 . 19 1 1 A 61 61 LYS H H 61 7.845 7.770 0.075 1
1 656 . 19 1 1 A 61 61 LYS HA H 61 3.912 3.963 -0.051 1
1 665 . 19 1 1 A 61 61 LYS C C 61 177.876 178.407 -0.531 1
1 666 . 19 1 1 A 61 61 LYS CA C 61 58.699 59.606 -0.907 1
1 667 . 19 1 1 A 61 61 LYS CB C 61 32.412 32.308 0.104 1
1 671 . 19 1 1 A 61 61 LYS N N 61 118.453 118.759 -0.306 1
1 672 . 19 1 1 A 62 62 PHE H H 62 7.986 8.403 -0.417 1
1 673 . 19 1 1 A 62 62 PHE HA H 62 4.249 4.031 0.218 1
1 681 . 19 1 1 A 62 62 PHE C C 62 177.148 177.155 -0.007 1
1 682 . 19 1 1 A 62 62 PHE CA C 62 60.592 61.899 -1.307 1
1 683 . 19 1 1 A 62 62 PHE CB C 62 39.439 39.202 0.237 1
1 689 . 19 1 1 A 62 62 PHE N N 62 120.207 120.378 -0.171 1
1 690 . 19 1 1 A 63 63 ARG H H 63 8.034 8.255 -0.221 1
1 691 . 19 1 1 A 63 63 ARG HA H 63 4.071 3.525 0.546 1
1 698 . 19 1 1 A 63 63 ARG C C 63 177.342 178.525 -1.183 1
1 699 . 19 1 1 A 63 63 ARG CA C 63 58.068 59.487 -1.419 1
1 700 . 19 1 1 A 63 63 ARG CB C 63 30.282 29.782 0.500 1
1 703 . 19 1 1 A 63 63 ARG N N 63 119.257 117.248 2.009 1
1 704 . 19 1 1 A 64 64 ARG H H 64 7.956 7.863 0.093 1
1 705 . 19 1 1 A 64 64 ARG HA H 64 4.096 4.016 0.080 1
1 712 . 19 1 1 A 64 64 ARG C C 64 177.366 178.522 -1.156 1
1 713 . 19 1 1 A 64 64 ARG CA C 64 57.971 59.071 -1.100 1
1 714 . 19 1 1 A 64 64 ARG CB C 64 30.419 29.942 0.477 1
1 717 . 19 1 1 A 64 64 ARG N N 64 119.492 119.046 0.446 1
1 718 . 19 1 1 A 65 65 ASN H H 65 8.042 8.235 -0.193 1
1 719 . 19 1 1 A 65 65 ASN HA H 65 4.537 4.511 0.026 1
1 724 . 19 1 1 A 65 65 ASN C C 65 176.152 177.410 -1.258 1
1 725 . 19 1 1 A 65 65 ASN CA C 65 54.348 55.194 -0.846 1
1 726 . 19 1 1 A 65 65 ASN CB C 65 38.466 38.798 -0.332 1
1 727 . 19 1 1 A 65 65 ASN N N 65 117.555 118.416 -0.861 1
1 729 . 19 1 1 A 66 66 LEU H H 66 7.777 7.668 0.109 1
1 730 . 19 1 1 A 66 66 LEU HA H 66 4.140 4.120 0.020 1
1 740 . 19 1 1 A 66 66 LEU C C 66 177.779 178.490 -0.711 1
1 741 . 19 1 1 A 66 66 LEU CA C 66 56.138 56.785 -0.647 1
1 742 . 19 1 1 A 66 66 LEU CB C 66 42.160 42.316 -0.156 1
1 746 . 19 1 1 A 66 66 LEU N N 66 121.103 120.278 0.825 1
1 747 . 19 1 1 A 67 67 LEU H H 67 7.861 7.755 0.106 1
1 748 . 19 1 1 A 67 67 LEU HA H 67 4.252 4.150 0.102 1
1 758 . 19 1 1 A 67 67 LEU C C 67 177.245 177.036 0.209 1
1 759 . 19 1 1 A 67 67 LEU CA C 67 55.445 57.360 -1.915 1
1 760 . 19 1 1 A 67 67 LEU CB C 67 42.122 41.442 0.680 1
1 764 . 19 1 1 A 67 67 LEU N N 67 120.121 116.143 3.978 1
1 765 . 19 1 1 A 68 68 ARG H H 68 7.963 7.640 0.323 1
1 766 . 19 1 1 A 68 68 ARG HA H 68 4.265 4.277 -0.012 1
1 773 . 19 1 1 A 68 68 ARG C C 68 175.934 175.970 -0.036 1
1 774 . 19 1 1 A 68 68 ARG CA C 68 56.208 56.440 -0.232 1
1 775 . 19 1 1 A 68 68 ARG CB C 68 30.839 30.393 0.446 1
1 778 . 19 1 1 A 68 68 ARG N N 68 120.189 121.356 -1.167 1
1 779 . 19 1 1 A 69 69 GLN H H 69 8.303 8.399 -0.096 1
1 780 . 19 1 1 A 69 69 GLN HA H 69 4.320 4.159 0.161 1
1 787 . 19 1 1 A 69 69 GLN C C 69 175.740 175.489 0.251 1
1 788 . 19 1 1 A 69 69 GLN CA C 69 55.891 56.593 -0.702 1
1 789 . 19 1 1 A 69 69 GLN CB C 69 29.556 28.729 0.827 1
1 791 . 19 1 1 A 69 69 GLN N N 69 121.097 121.120 -0.023 1
1 793 . 19 1 1 A 70 70 GLU H H 70 8.391 8.676 -0.285 1
1 794 . 19 1 1 A 70 70 GLU HA H 70 4.290 4.767 -0.477 1
1 799 . 19 1 1 A 70 70 GLU C C 70 175.254 175.452 -0.198 1
1 800 . 19 1 1 A 70 70 GLU CA C 70 56.490 55.430 1.060 1
1 801 . 19 1 1 A 70 70 GLU CB C 70 30.636 32.156 -1.520 1
1 803 . 19 1 1 A 70 70 GLU N N 70 122.138 125.152 -3.014 1
1 804 . 19 1 1 A 71 71 ASN H H 71 8.095 8.736 -0.641 1
1 805 . 19 1 1 A 71 71 ASN HA H 71 4.462 4.837 -0.375 1
1 810 . 19 1 1 A 71 71 ASN C C 71 179.333 175.365 3.968 1
1 811 . 19 1 1 A 71 71 ASN CA C 71 55.009 52.503 2.506 1
1 812 . 19 1 1 A 71 71 ASN CB C 71 41.051 38.320 2.731 1
1 813 . 19 1 1 A 71 71 ASN N N 71 124.912 124.063 0.849 1
1 815 . 19 1 1 A 72 72 GLY HA2 H 72 3.944 3.985 -0.041 1
1 816 . 19 1 1 A 72 72 GLY HA3 H 72 3.872 3.987 -0.115 1
1 817 . 19 1 1 A 72 72 GLY C C 72 175.060 175.061 -0.001 1
1 818 . 19 1 1 A 72 72 GLY CA C 72 45.579 46.827 -1.248 1
1 819 . 19 1 1 A 73 73 GLY H H 73 8.416 8.053 0.363 1
1 820 . 19 1 1 A 73 73 GLY HA2 H 73 3.947 4.232 -0.285 1
1 821 . 19 1 1 A 73 73 GLY HA3 H 73 3.947 4.234 -0.287 1
1 822 . 19 1 1 A 73 73 GLY C C 73 174.356 174.175 0.181 1
1 823 . 19 1 1 A 73 73 GLY CA C 73 45.280 44.544 0.736 1
1 824 . 19 1 1 A 73 73 GLY N N 73 108.960 107.485 1.475 1
1 825 . 19 1 1 A 74 74 VAL H H 74 8.059 8.665 -0.606 1
1 826 . 19 1 1 A 74 74 VAL HA H 74 4.181 4.424 -0.243 1
1 834 . 19 1 1 A 74 74 VAL C C 74 176.419 175.758 0.661 1
1 835 . 19 1 1 A 74 74 VAL CA C 74 62.309 61.523 0.786 1
1 836 . 19 1 1 A 74 74 VAL CB C 74 32.843 33.530 -0.687 1
1 839 . 19 1 1 A 74 74 VAL N N 74 118.980 119.196 -0.216 1
1 840 . 19 1 1 A 75 75 SER H H 75 8.430 7.596 0.834 1
1 841 . 19 1 1 A 75 75 SER HA H 75 4.493 4.624 -0.131 1
1 844 . 19 1 1 A 75 75 SER C C 75 174.525 174.160 0.365 1
1 845 . 19 1 1 A 75 75 SER CA C 75 58.349 57.639 0.710 1
1 846 . 19 1 1 A 75 75 SER CB C 75 63.880 63.995 -0.115 1
1 847 . 19 1 1 A 75 75 SER N N 75 119.288 117.757 1.531 1
1 848 . 19 1 1 A 76 76 GLY H H 76 8.206 8.528 -0.322 1
1 849 . 19 1 1 A 76 76 GLY C C 76 171.757 171.869 -0.112 1
1 850 . 19 1 1 A 76 76 GLY CA C 76 44.642 45.465 -0.823 1
1 851 . 19 1 1 A 76 76 GLY N N 76 110.769 113.196 -2.427 1
1 852 . 19 1 1 A 79 79 SER HA H 79 4.474 4.215 0.259 1
1 855 . 19 1 1 A 79 79 SER C C 79 173.918 174.707 -0.789 1
1 856 . 19 1 1 A 79 79 SER CA C 79 58.430 59.660 -1.230 1
1 857 . 19 1 1 A 79 79 SER CB C 79 64.045 62.910 1.135 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.959 4.216 -0.257 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.959 4.224 -0.265 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.210 173.274 0.936 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.270 45.427 -0.157 1
1 5 . 20 1 1 A 8 8 LYS H H 8 7.993 8.468 -0.475 1
1 6 . 20 1 1 A 8 8 LYS C C 8 176.347 176.764 -0.417 1
1 7 . 20 1 1 A 8 8 LYS CA C 8 62.168 56.526 5.642 1
1 8 . 20 1 1 A 8 8 LYS CB C 8 32.974 33.204 -0.230 1
1 9 . 20 1 1 A 8 8 LYS N N 8 118.865 124.258 -5.393 1
1 10 . 20 1 1 A 12 12 THR HA H 12 4.227 4.984 -0.757 1
1 15 . 20 1 1 A 12 12 THR CA C 12 61.902 59.898 2.004 1
1 16 . 20 1 1 A 12 12 THR CB C 12 69.926 71.035 -1.109 1
1 18 . 20 1 1 A 13 13 SER HA H 13 4.401 4.263 0.138 1
1 21 . 20 1 1 A 13 13 SER C C 13 173.627 173.962 -0.335 1
1 22 . 20 1 1 A 13 13 SER CA C 13 57.513 58.283 -0.770 1
1 23 . 20 1 1 A 13 13 SER CB C 13 63.880 64.011 -0.131 1
1 24 . 20 1 1 A 14 14 PHE H H 14 8.197 8.768 -0.571 1
1 25 . 20 1 1 A 14 14 PHE HA H 14 4.701 4.845 -0.144 1
1 33 . 20 1 1 A 14 14 PHE C C 14 176.177 175.221 0.956 1
1 34 . 20 1 1 A 14 14 PHE CA C 14 57.539 56.238 1.301 1
1 35 . 20 1 1 A 14 14 PHE CB C 14 41.041 43.231 -2.190 1
1 41 . 20 1 1 A 14 14 PHE N N 14 121.084 122.496 -1.412 1
1 42 . 20 1 1 A 15 15 LYS H H 15 8.548 8.770 -0.222 1
1 43 . 20 1 1 A 15 15 LYS HA H 15 4.449 4.544 -0.095 1
1 51 . 20 1 1 A 15 15 LYS C C 15 178.532 178.174 0.358 1
1 52 . 20 1 1 A 15 15 LYS CA C 15 55.291 55.082 0.209 1
1 53 . 20 1 1 A 15 15 LYS CB C 15 33.993 33.561 0.432 1
1 57 . 20 1 1 A 15 15 LYS N N 15 120.600 120.352 0.248 1
1 58 . 20 1 1 A 16 16 HIS HA H 16 4.238 4.187 0.051 1
1 62 . 20 1 1 A 16 16 HIS CA C 16 60.805 59.019 1.786 1
1 63 . 20 1 1 A 16 16 HIS CB C 16 30.416 30.245 0.171 1
1 65 . 20 1 1 A 17 17 HIS HA H 17 4.218 4.092 0.126 1
1 69 . 20 1 1 A 17 17 HIS C C 17 177.731 176.571 1.160 1
1 70 . 20 1 1 A 17 17 HIS CA C 17 58.994 59.118 -0.124 1
1 71 . 20 1 1 A 17 17 HIS CB C 17 29.627 28.468 1.159 1
1 73 . 20 1 1 A 18 18 GLN H H 18 6.563 7.520 -0.957 1
1 74 . 20 1 1 A 18 18 GLN HA H 18 3.747 3.954 -0.207 1
1 81 . 20 1 1 A 18 18 GLN C C 18 177.051 178.342 -1.291 1
1 82 . 20 1 1 A 18 18 GLN CA C 18 58.148 58.439 -0.291 1
1 83 . 20 1 1 A 18 18 GLN CB C 18 27.752 28.320 -0.568 1
1 85 . 20 1 1 A 18 18 GLN N N 18 119.371 118.458 0.913 1
1 87 . 20 1 1 A 19 19 LEU H H 19 7.532 8.254 -0.722 1
1 88 . 20 1 1 A 19 19 LEU HA H 19 3.570 3.657 -0.087 1
1 98 . 20 1 1 A 19 19 LEU C C 19 178.362 179.037 -0.675 1
1 99 . 20 1 1 A 19 19 LEU CA C 19 57.464 57.763 -0.299 1
1 100 . 20 1 1 A 19 19 LEU CB C 19 42.092 41.008 1.084 1
1 104 . 20 1 1 A 19 19 LEU N N 19 118.862 120.313 -1.451 1
1 105 . 20 1 1 A 20 20 ARG H H 20 8.168 8.253 -0.085 1
1 106 . 20 1 1 A 20 20 ARG HA H 20 3.899 3.740 0.159 1
1 113 . 20 1 1 A 20 20 ARG C C 20 179.358 178.495 0.863 1
1 114 . 20 1 1 A 20 20 ARG CA C 20 59.641 59.417 0.224 1
1 115 . 20 1 1 A 20 20 ARG CB C 20 29.869 29.460 0.409 1
1 118 . 20 1 1 A 20 20 ARG N N 20 118.228 120.368 -2.140 1
1 119 . 20 1 1 A 21 21 THR H H 21 7.592 7.674 -0.082 1
1 120 . 20 1 1 A 21 21 THR HA H 21 3.854 4.023 -0.169 1
1 125 . 20 1 1 A 21 21 THR C C 21 176.662 176.688 -0.026 1
1 126 . 20 1 1 A 21 21 THR CA C 21 66.646 66.437 0.209 1
1 127 . 20 1 1 A 21 21 THR CB C 21 68.271 68.545 -0.274 1
1 129 . 20 1 1 A 21 21 THR N N 21 117.730 116.689 1.041 1
1 130 . 20 1 1 A 22 22 MET H H 22 7.910 7.926 -0.016 1
1 131 . 20 1 1 A 22 22 MET HA H 22 3.537 4.235 -0.698 1
1 139 . 20 1 1 A 22 22 MET C C 22 177.099 178.739 -1.640 1
1 140 . 20 1 1 A 22 22 MET CA C 22 61.053 58.486 2.567 1
1 141 . 20 1 1 A 22 22 MET CB C 22 31.655 32.711 -1.056 1
1 144 . 20 1 1 A 22 22 MET N N 22 121.373 118.846 2.527 1
1 145 . 20 1 1 A 23 23 LYS H H 23 8.663 8.211 0.452 1
1 146 . 20 1 1 A 23 23 LYS HA H 23 4.037 4.216 -0.179 1
1 155 . 20 1 1 A 23 23 LYS C C 23 180.183 179.451 0.732 1
1 156 . 20 1 1 A 23 23 LYS CA C 23 60.743 60.217 0.526 1
1 157 . 20 1 1 A 23 23 LYS CB C 23 32.386 32.544 -0.158 1
1 161 . 20 1 1 A 23 23 LYS N N 23 117.749 120.762 -3.013 1
1 162 . 20 1 1 A 24 24 SER H H 24 8.182 7.638 0.544 1
1 163 . 20 1 1 A 24 24 SER HA H 24 4.291 4.284 0.007 1
1 166 . 20 1 1 A 24 24 SER C C 24 176.298 176.844 -0.546 1
1 167 . 20 1 1 A 24 24 SER CA C 24 61.850 61.116 0.734 1
1 168 . 20 1 1 A 24 24 SER CB C 24 62.661 63.032 -0.371 1
1 169 . 20 1 1 A 24 24 SER N N 24 115.784 114.270 1.514 1
1 170 . 20 1 1 A 25 25 TYR H H 25 7.860 8.061 -0.201 1
1 171 . 20 1 1 A 25 25 TYR HA H 25 4.168 4.377 -0.209 1
1 178 . 20 1 1 A 25 25 TYR C C 25 177.731 177.964 -0.233 1
1 179 . 20 1 1 A 25 25 TYR CA C 25 62.168 61.846 0.322 1
1 180 . 20 1 1 A 25 25 TYR CB C 25 38.810 38.599 0.211 1
1 185 . 20 1 1 A 25 25 TYR N N 25 122.606 122.926 -0.320 1
1 186 . 20 1 1 A 26 26 PHE H H 26 9.057 8.831 0.226 1
1 187 . 20 1 1 A 26 26 PHE HA H 26 4.587 4.550 0.037 1
1 195 . 20 1 1 A 26 26 PHE C C 26 174.987 177.969 -2.982 1
1 196 . 20 1 1 A 26 26 PHE CA C 26 61.043 61.878 -0.835 1
1 197 . 20 1 1 A 26 26 PHE CB C 26 39.600 39.545 0.055 1
1 203 . 20 1 1 A 26 26 PHE N N 26 121.419 121.211 0.208 1
1 204 . 20 1 1 A 27 27 ALA H H 27 7.459 7.767 -0.308 1
1 205 . 20 1 1 A 27 27 ALA HA H 27 4.051 3.881 0.170 1
1 209 . 20 1 1 A 27 27 ALA C C 27 178.775 179.912 -1.137 1
1 210 . 20 1 1 A 27 27 ALA CA C 27 54.233 54.971 -0.738 1
1 211 . 20 1 1 A 27 27 ALA CB C 27 18.405 18.322 0.083 1
1 212 . 20 1 1 A 27 27 ALA N N 27 114.718 121.289 -6.571 1
1 213 . 20 1 1 A 28 28 ILE H H 28 7.405 7.449 -0.044 1
1 214 . 20 1 1 A 28 28 ILE HA H 28 3.985 3.725 0.260 1
1 224 . 20 1 1 A 28 28 ILE C C 28 176.055 176.256 -0.201 1
1 225 . 20 1 1 A 28 28 ILE CA C 28 61.603 64.080 -2.477 1
1 226 . 20 1 1 A 28 28 ILE CB C 28 39.090 37.988 1.102 1
1 230 . 20 1 1 A 28 28 ILE N N 28 115.025 116.275 -1.250 1
1 231 . 20 1 1 A 29 29 ASN H H 29 8.087 7.955 0.132 1
1 232 . 20 1 1 A 29 29 ASN HA H 29 4.511 4.766 -0.255 1
1 237 . 20 1 1 A 29 29 ASN C C 29 172.947 175.115 -2.168 1
1 238 . 20 1 1 A 29 29 ASN CA C 29 52.594 52.108 0.486 1
1 239 . 20 1 1 A 29 29 ASN CB C 29 39.402 40.017 -0.615 1
1 240 . 20 1 1 A 29 29 ASN N N 29 119.219 116.960 2.259 1
1 242 . 20 1 1 A 30 30 HIS H H 30 8.408 8.369 0.039 1
1 243 . 20 1 1 A 30 30 HIS HA H 30 4.499 4.456 0.043 1
1 247 . 20 1 1 A 30 30 HIS C C 30 175.472 175.625 -0.153 1
1 248 . 20 1 1 A 30 30 HIS CA C 30 55.538 58.322 -2.784 1
1 249 . 20 1 1 A 30 30 HIS CB C 30 31.578 29.610 1.968 1
1 251 . 20 1 1 A 30 30 HIS N N 30 120.962 122.973 -2.011 1
1 252 . 20 1 1 A 31 31 ASN H H 31 7.931 8.134 -0.203 1
1 253 . 20 1 1 A 31 31 ASN HA H 31 5.099 5.121 -0.022 1
1 258 . 20 1 1 A 31 31 ASN C C 31 170.762 172.541 -1.779 1
1 259 . 20 1 1 A 31 31 ASN CA C 31 51.130 50.756 0.374 1
1 260 . 20 1 1 A 31 31 ASN CB C 31 40.625 39.273 1.352 1
1 261 . 20 1 1 A 31 31 ASN N N 31 114.800 116.868 -2.068 1
1 263 . 20 1 1 A 32 32 PRO HA H 32 4.565 4.702 -0.137 1
1 270 . 20 1 1 A 32 32 PRO C C 32 176.832 176.809 0.023 1
1 271 . 20 1 1 A 32 32 PRO CA C 32 63.120 62.636 0.484 1
1 272 . 20 1 1 A 32 32 PRO CB C 32 31.715 32.029 -0.314 1
1 275 . 20 1 1 A 33 33 ASP H H 33 8.758 8.321 0.437 1
1 276 . 20 1 1 A 33 33 ASP HA H 33 4.526 4.919 -0.393 1
1 279 . 20 1 1 A 33 33 ASP C C 33 175.667 177.914 -2.247 1
1 280 . 20 1 1 A 33 33 ASP CA C 33 51.908 53.291 -1.383 1
1 281 . 20 1 1 A 33 33 ASP CB C 33 41.113 41.980 -0.867 1
1 282 . 20 1 1 A 33 33 ASP N N 33 123.573 121.219 2.354 1
1 283 . 20 1 1 A 34 34 ALA H H 34 8.274 8.761 -0.487 1
1 284 . 20 1 1 A 34 34 ALA HA H 34 3.914 3.976 -0.062 1
1 288 . 20 1 1 A 34 34 ALA C C 34 180.742 179.469 1.273 1
1 289 . 20 1 1 A 34 34 ALA CA C 34 56.073 55.629 0.444 1
1 290 . 20 1 1 A 34 34 ALA CB C 34 18.510 18.061 0.449 1
1 291 . 20 1 1 A 34 34 ALA N N 34 119.222 123.049 -3.827 1
1 292 . 20 1 1 A 35 35 LYS H H 35 7.931 8.049 -0.118 1
1 293 . 20 1 1 A 35 35 LYS HA H 35 4.019 3.877 0.142 1
1 302 . 20 1 1 A 35 35 LYS C C 35 179.430 178.508 0.922 1
1 303 . 20 1 1 A 35 35 LYS CA C 35 59.485 59.888 -0.403 1
1 304 . 20 1 1 A 35 35 LYS CB C 35 31.535 32.060 -0.525 1
1 308 . 20 1 1 A 35 35 LYS N N 35 119.343 118.248 1.095 1
1 309 . 20 1 1 A 36 36 ASP H H 36 8.611 8.133 0.478 1
1 310 . 20 1 1 A 36 36 ASP HA H 36 4.408 4.458 -0.050 1
1 313 . 20 1 1 A 36 36 ASP C C 36 179.479 178.905 0.574 1
1 314 . 20 1 1 A 36 36 ASP CA C 36 57.090 57.358 -0.268 1
1 315 . 20 1 1 A 36 36 ASP CB C 36 39.930 40.522 -0.592 1
1 316 . 20 1 1 A 36 36 ASP N N 36 123.478 119.865 3.613 1
1 317 . 20 1 1 A 37 37 LEU H H 37 8.743 8.419 0.324 1
1 318 . 20 1 1 A 37 37 LEU HA H 37 3.805 3.715 0.090 1
1 328 . 20 1 1 A 37 37 LEU C C 37 178.799 178.808 -0.009 1
1 329 . 20 1 1 A 37 37 LEU CA C 37 58.148 57.840 0.308 1
1 330 . 20 1 1 A 37 37 LEU CB C 37 42.233 41.701 0.532 1
1 334 . 20 1 1 A 37 37 LEU N N 37 120.010 120.953 -0.943 1
1 335 . 20 1 1 A 38 38 LYS H H 38 7.756 8.273 -0.517 1
1 336 . 20 1 1 A 38 38 LYS HA H 38 3.956 4.020 -0.064 1
1 343 . 20 1 1 A 38 38 LYS C C 38 179.090 178.647 0.443 1
1 344 . 20 1 1 A 38 38 LYS CA C 38 59.950 59.104 0.846 1
1 345 . 20 1 1 A 38 38 LYS CB C 38 32.315 32.223 0.092 1
1 349 . 20 1 1 A 38 38 LYS N N 38 120.326 118.027 2.299 1
1 350 . 20 1 1 A 39 39 GLN H H 39 7.634 7.491 0.143 1
1 351 . 20 1 1 A 39 39 GLN HA H 39 4.156 4.026 0.130 1
1 358 . 20 1 1 A 39 39 GLN C C 39 178.896 178.873 0.023 1
1 359 . 20 1 1 A 39 39 GLN CA C 39 58.888 58.692 0.196 1
1 360 . 20 1 1 A 39 39 GLN CB C 39 28.441 28.256 0.185 1
1 362 . 20 1 1 A 39 39 GLN N N 39 119.272 119.201 0.071 1
1 364 . 20 1 1 A 40 40 LEU H H 40 8.541 8.238 0.303 1
1 365 . 20 1 1 A 40 40 LEU HA H 40 3.848 3.917 -0.069 1
1 375 . 20 1 1 A 40 40 LEU C C 40 180.256 179.003 1.253 1
1 376 . 20 1 1 A 40 40 LEU CA C 40 57.866 57.874 -0.008 1
1 377 . 20 1 1 A 40 40 LEU CB C 40 43.074 41.282 1.792 1
1 381 . 20 1 1 A 40 40 LEU N N 40 120.555 119.572 0.983 1
1 382 . 20 1 1 A 41 41 ALA H H 41 8.633 8.206 0.427 1
1 383 . 20 1 1 A 41 41 ALA HA H 41 4.032 3.893 0.139 1
1 387 . 20 1 1 A 41 41 ALA C C 41 179.722 179.206 0.516 1
1 388 . 20 1 1 A 41 41 ALA CA C 41 55.923 54.878 1.045 1
1 389 . 20 1 1 A 41 41 ALA CB C 41 17.836 18.765 -0.929 1
1 390 . 20 1 1 A 41 41 ALA N N 41 127.288 120.801 6.487 1
1 391 . 20 1 1 A 42 42 GLN H H 42 7.698 7.455 0.243 1
1 392 . 20 1 1 A 42 42 GLN HA H 42 4.034 4.212 -0.178 1
1 399 . 20 1 1 A 42 42 GLN C C 42 178.848 178.148 0.700 1
1 400 . 20 1 1 A 42 42 GLN CA C 42 58.853 57.817 1.036 1
1 401 . 20 1 1 A 42 42 GLN CB C 42 28.276 29.086 -0.810 1
1 403 . 20 1 1 A 42 42 GLN N N 42 118.543 116.437 2.106 1
1 405 . 20 1 1 A 43 43 LYS H H 43 8.099 8.068 0.031 1
1 406 . 20 1 1 A 43 43 LYS HA H 43 4.172 4.095 0.077 1
1 415 . 20 1 1 A 43 43 LYS C C 43 178.581 177.961 0.620 1
1 416 . 20 1 1 A 43 43 LYS CA C 43 58.741 58.762 -0.021 1
1 417 . 20 1 1 A 43 43 LYS CB C 43 34.128 32.507 1.621 1
1 421 . 20 1 1 A 43 43 LYS N N 43 116.650 119.327 -2.677 1
1 422 . 20 1 1 A 44 44 THR H H 44 8.053 7.777 0.276 1
1 423 . 20 1 1 A 44 44 THR HA H 44 4.517 4.583 -0.066 1
1 428 . 20 1 1 A 44 44 THR C C 44 176.104 175.906 0.198 1
1 429 . 20 1 1 A 44 44 THR CA C 44 63.114 62.339 0.775 1
1 430 . 20 1 1 A 44 44 THR CB C 44 72.379 71.446 0.933 1
1 432 . 20 1 1 A 44 44 THR N N 44 105.200 107.814 -2.614 1
1 433 . 20 1 1 A 45 45 GLY H H 45 8.327 8.148 0.179 1
1 434 . 20 1 1 A 45 45 GLY HA2 H 45 3.882 4.006 -0.124 1
1 435 . 20 1 1 A 45 45 GLY HA3 H 45 4.257 4.023 0.234 1
1 436 . 20 1 1 A 45 45 GLY C C 45 174.283 174.504 -0.221 1
1 437 . 20 1 1 A 45 45 GLY CA C 45 45.950 45.022 0.928 1
1 438 . 20 1 1 A 45 45 GLY N N 45 111.805 111.228 0.577 1
1 439 . 20 1 1 A 46 46 LEU H H 46 7.710 7.541 0.169 1
1 440 . 20 1 1 A 46 46 LEU HA H 46 4.692 4.452 0.240 1
1 450 . 20 1 1 A 46 46 LEU C C 46 176.249 177.324 -1.075 1
1 451 . 20 1 1 A 46 46 LEU CA C 46 53.293 54.772 -1.479 1
1 452 . 20 1 1 A 46 46 LEU CB C 46 44.084 42.597 1.487 1
1 456 . 20 1 1 A 46 46 LEU N N 46 121.162 122.458 -1.296 1
1 457 . 20 1 1 A 47 47 THR H H 47 7.718 8.733 -1.015 1
1 458 . 20 1 1 A 47 47 THR HA H 47 4.379 4.697 -0.318 1
1 463 . 20 1 1 A 47 47 THR C C 47 175.594 175.563 0.031 1
1 464 . 20 1 1 A 47 47 THR CA C 47 60.475 60.472 0.003 1
1 465 . 20 1 1 A 47 47 THR CB C 47 71.045 71.396 -0.351 1
1 467 . 20 1 1 A 47 47 THR N N 47 107.953 113.829 -5.876 1
1 468 . 20 1 1 A 48 48 LYS H H 48 8.750 8.942 -0.192 1
1 469 . 20 1 1 A 48 48 LYS HA H 48 3.788 3.911 -0.123 1
1 478 . 20 1 1 A 48 48 LYS C C 48 178.119 177.739 0.380 1
1 479 . 20 1 1 A 48 48 LYS CA C 48 60.816 60.489 0.327 1
1 480 . 20 1 1 A 48 48 LYS CB C 48 32.050 32.120 -0.070 1
1 484 . 20 1 1 A 48 48 LYS N N 48 120.566 122.857 -2.291 1
1 485 . 20 1 1 A 49 49 ARG H H 49 8.274 7.634 0.640 1
1 486 . 20 1 1 A 49 49 ARG HA H 49 4.214 4.080 0.134 1
1 492 . 20 1 1 A 49 49 ARG C C 49 178.216 178.726 -0.510 1
1 493 . 20 1 1 A 49 49 ARG CA C 49 59.170 58.965 0.205 1
1 494 . 20 1 1 A 49 49 ARG CB C 49 30.181 29.725 0.456 1
1 497 . 20 1 1 A 49 49 ARG N N 49 116.915 119.794 -2.879 1
1 498 . 20 1 1 A 50 50 VAL H H 50 7.310 7.818 -0.508 1
1 499 . 20 1 1 A 50 50 VAL HA H 50 3.730 3.759 -0.029 1
1 507 . 20 1 1 A 50 50 VAL C C 50 179.406 178.666 0.740 1
1 508 . 20 1 1 A 50 50 VAL CA C 50 66.576 66.264 0.312 1
1 509 . 20 1 1 A 50 50 VAL CB C 50 31.655 31.722 -0.067 1
1 512 . 20 1 1 A 50 50 VAL N N 50 119.540 119.388 0.152 1
1 513 . 20 1 1 A 51 51 LEU H H 51 8.115 7.716 0.399 1
1 514 . 20 1 1 A 51 51 LEU HA H 51 4.133 4.098 0.035 1
1 524 . 20 1 1 A 51 51 LEU C C 51 178.726 178.948 -0.222 1
1 525 . 20 1 1 A 51 51 LEU CA C 51 58.465 58.168 0.297 1
1 526 . 20 1 1 A 51 51 LEU CB C 51 43.173 41.501 1.672 1
1 530 . 20 1 1 A 51 51 LEU N N 51 120.715 119.537 1.178 1
1 531 . 20 1 1 A 52 52 GLN H H 52 8.981 8.212 0.769 1
1 532 . 20 1 1 A 52 52 GLN HA H 52 4.131 4.003 0.128 1
1 539 . 20 1 1 A 52 52 GLN C C 52 179.600 178.756 0.844 1
1 540 . 20 1 1 A 52 52 GLN CA C 52 60.226 58.773 1.453 1
1 541 . 20 1 1 A 52 52 GLN CB C 52 29.018 28.390 0.628 1
1 543 . 20 1 1 A 52 52 GLN N N 52 118.651 117.234 1.417 1
1 545 . 20 1 1 A 53 53 VAL H H 53 8.057 8.295 -0.238 1
1 546 . 20 1 1 A 53 53 VAL HA H 53 3.723 3.678 0.045 1
1 554 . 20 1 1 A 53 53 VAL C C 53 177.755 178.333 -0.578 1
1 555 . 20 1 1 A 53 53 VAL CA C 53 66.646 66.808 -0.162 1
1 556 . 20 1 1 A 53 53 VAL CB C 53 32.196 31.641 0.555 1
1 559 . 20 1 1 A 53 53 VAL N N 53 120.778 120.149 0.629 1
1 560 . 20 1 1 A 54 54 TRP H H 54 8.377 8.075 0.302 1
1 561 . 20 1 1 A 54 54 TRP HA H 54 4.036 4.154 -0.118 1
1 570 . 20 1 1 A 54 54 TRP C C 54 180.110 177.965 2.145 1
1 571 . 20 1 1 A 54 54 TRP CA C 54 63.543 61.103 2.440 1
1 572 . 20 1 1 A 54 54 TRP CB C 54 28.771 29.757 -0.986 1
1 578 . 20 1 1 A 54 54 TRP N N 54 122.326 121.355 0.971 1
1 580 . 20 1 1 A 55 55 PHE H H 55 9.196 8.784 0.412 1
1 581 . 20 1 1 A 55 55 PHE HA H 55 3.808 4.186 -0.378 1
1 589 . 20 1 1 A 55 55 PHE C C 55 177.973 178.322 -0.349 1
1 590 . 20 1 1 A 55 55 PHE CA C 55 63.557 62.264 1.293 1
1 591 . 20 1 1 A 55 55 PHE CB C 55 39.139 38.878 0.261 1
1 597 . 20 1 1 A 55 55 PHE N N 55 118.085 117.997 0.088 1
1 598 . 20 1 1 A 56 56 GLN H H 56 8.289 8.416 -0.127 1
1 599 . 20 1 1 A 56 56 GLN HA H 56 3.992 3.938 0.054 1
1 606 . 20 1 1 A 56 56 GLN C C 56 179.212 179.014 0.198 1
1 607 . 20 1 1 A 56 56 GLN CA C 56 59.699 59.318 0.381 1
1 608 . 20 1 1 A 56 56 GLN CB C 56 28.236 28.348 -0.112 1
1 610 . 20 1 1 A 56 56 GLN N N 56 119.990 117.665 2.325 1
1 612 . 20 1 1 A 57 57 ASN H H 57 8.244 8.226 0.018 1
1 613 . 20 1 1 A 57 57 ASN HA H 57 4.341 4.364 -0.023 1
1 618 . 20 1 1 A 57 57 ASN C C 57 177.124 177.736 -0.612 1
1 619 . 20 1 1 A 57 57 ASN CA C 57 55.820 56.038 -0.218 1
1 620 . 20 1 1 A 57 57 ASN CB C 57 38.025 37.812 0.213 1
1 621 . 20 1 1 A 57 57 ASN N N 57 119.713 117.868 1.845 1
1 623 . 20 1 1 A 58 58 ALA H H 58 8.224 7.707 0.517 1
1 624 . 20 1 1 A 58 58 ALA HA H 58 3.323 3.653 -0.330 1
1 628 . 20 1 1 A 58 58 ALA C C 58 180.814 179.867 0.947 1
1 629 . 20 1 1 A 58 58 ALA CA C 58 54.712 54.950 -0.238 1
1 630 . 20 1 1 A 58 58 ALA CB C 58 16.697 17.395 -0.698 1
1 631 . 20 1 1 A 58 58 ALA N N 58 125.439 122.687 2.752 1
1 632 . 20 1 1 A 59 59 ARG H H 59 8.404 7.793 0.611 1
1 633 . 20 1 1 A 59 59 ARG HA H 59 4.009 4.116 -0.107 1
1 640 . 20 1 1 A 59 59 ARG C C 59 178.678 178.703 -0.025 1
1 641 . 20 1 1 A 59 59 ARG CA C 59 60.969 59.799 1.170 1
1 642 . 20 1 1 A 59 59 ARG CB C 59 31.491 29.971 1.520 1
1 645 . 20 1 1 A 59 59 ARG N N 59 118.829 117.668 1.161 1
1 646 . 20 1 1 A 60 60 ALA H H 60 7.711 7.577 0.134 1
1 647 . 20 1 1 A 60 60 ALA HA H 60 4.162 4.081 0.081 1
1 651 . 20 1 1 A 60 60 ALA C C 60 180.086 179.297 0.789 1
1 652 . 20 1 1 A 60 60 ALA CA C 60 55.116 54.897 0.219 1
1 653 . 20 1 1 A 60 60 ALA CB C 60 17.993 18.292 -0.299 1
1 654 . 20 1 1 A 60 60 ALA N N 60 122.099 121.615 0.484 1
1 655 . 20 1 1 A 61 61 LYS H H 61 7.845 7.838 0.007 1
1 656 . 20 1 1 A 61 61 LYS HA H 61 3.912 4.010 -0.098 1
1 665 . 20 1 1 A 61 61 LYS C C 61 177.876 178.340 -0.464 1
1 666 . 20 1 1 A 61 61 LYS CA C 61 58.699 59.564 -0.865 1
1 667 . 20 1 1 A 61 61 LYS CB C 61 32.412 32.299 0.113 1
1 671 . 20 1 1 A 61 61 LYS N N 61 118.453 118.746 -0.293 1
1 672 . 20 1 1 A 62 62 PHE H H 62 7.986 8.092 -0.106 1
1 673 . 20 1 1 A 62 62 PHE HA H 62 4.249 4.093 0.156 1
1 681 . 20 1 1 A 62 62 PHE C C 62 177.148 177.460 -0.312 1
1 682 . 20 1 1 A 62 62 PHE CA C 62 60.592 62.064 -1.472 1
1 683 . 20 1 1 A 62 62 PHE CB C 62 39.439 39.119 0.320 1
1 689 . 20 1 1 A 62 62 PHE N N 62 120.207 120.622 -0.415 1
1 690 . 20 1 1 A 63 63 ARG H H 63 8.034 8.195 -0.161 1
1 691 . 20 1 1 A 63 63 ARG HA H 63 4.071 4.119 -0.048 1
1 698 . 20 1 1 A 63 63 ARG C C 63 177.342 178.304 -0.962 1
1 699 . 20 1 1 A 63 63 ARG CA C 63 58.068 59.942 -1.874 1
1 700 . 20 1 1 A 63 63 ARG CB C 63 30.282 30.449 -0.167 1
1 703 . 20 1 1 A 63 63 ARG N N 63 119.257 118.639 0.618 1
1 704 . 20 1 1 A 64 64 ARG H H 64 7.956 8.173 -0.217 1
1 705 . 20 1 1 A 64 64 ARG HA H 64 4.096 4.025 0.071 1
1 712 . 20 1 1 A 64 64 ARG C C 64 177.366 178.442 -1.076 1
1 713 . 20 1 1 A 64 64 ARG CA C 64 57.971 59.305 -1.334 1
1 714 . 20 1 1 A 64 64 ARG CB C 64 30.419 30.011 0.408 1
1 717 . 20 1 1 A 64 64 ARG N N 64 119.492 119.860 -0.368 1
1 718 . 20 1 1 A 65 65 ASN H H 65 8.042 8.298 -0.256 1
1 719 . 20 1 1 A 65 65 ASN HA H 65 4.537 4.405 0.132 1
1 724 . 20 1 1 A 65 65 ASN C C 65 176.152 177.832 -1.680 1
1 725 . 20 1 1 A 65 65 ASN CA C 65 54.348 56.518 -2.170 1
1 726 . 20 1 1 A 65 65 ASN CB C 65 38.466 39.701 -1.235 1
1 727 . 20 1 1 A 65 65 ASN N N 65 117.555 118.096 -0.541 1
1 729 . 20 1 1 A 66 66 LEU H H 66 7.777 7.987 -0.210 1
1 730 . 20 1 1 A 66 66 LEU HA H 66 4.140 4.041 0.099 1
1 740 . 20 1 1 A 66 66 LEU C C 66 177.779 179.921 -2.142 1
1 741 . 20 1 1 A 66 66 LEU CA C 66 56.138 58.297 -2.159 1
1 742 . 20 1 1 A 66 66 LEU CB C 66 42.160 41.771 0.389 1
1 746 . 20 1 1 A 66 66 LEU N N 66 121.103 120.160 0.943 1
1 747 . 20 1 1 A 67 67 LEU H H 67 7.861 8.072 -0.211 1
1 748 . 20 1 1 A 67 67 LEU HA H 67 4.252 3.923 0.329 1
1 758 . 20 1 1 A 67 67 LEU C C 67 177.245 177.223 0.022 1
1 759 . 20 1 1 A 67 67 LEU CA C 67 55.445 57.911 -2.466 1
1 760 . 20 1 1 A 67 67 LEU CB C 67 42.122 41.481 0.641 1
1 764 . 20 1 1 A 67 67 LEU N N 67 120.121 118.655 1.466 1
1 765 . 20 1 1 A 68 68 ARG H H 68 7.963 7.439 0.524 1
1 766 . 20 1 1 A 68 68 ARG HA H 68 4.265 4.599 -0.334 1
1 773 . 20 1 1 A 68 68 ARG C C 68 175.934 176.092 -0.158 1
1 774 . 20 1 1 A 68 68 ARG CA C 68 56.208 55.608 0.600 1
1 775 . 20 1 1 A 68 68 ARG CB C 68 30.839 31.742 -0.903 1
1 778 . 20 1 1 A 68 68 ARG N N 68 120.189 116.774 3.415 1
1 779 . 20 1 1 A 69 69 GLN H H 69 8.303 8.629 -0.326 1
1 780 . 20 1 1 A 69 69 GLN HA H 69 4.320 4.779 -0.459 1
1 787 . 20 1 1 A 69 69 GLN C C 69 175.740 174.999 0.741 1
1 788 . 20 1 1 A 69 69 GLN CA C 69 55.891 55.300 0.591 1
1 789 . 20 1 1 A 69 69 GLN CB C 69 29.556 31.006 -1.450 1
1 791 . 20 1 1 A 69 69 GLN N N 69 121.097 120.953 0.144 1
1 793 . 20 1 1 A 70 70 GLU H H 70 8.391 8.713 -0.322 1
1 794 . 20 1 1 A 70 70 GLU HA H 70 4.290 4.778 -0.488 1
1 799 . 20 1 1 A 70 70 GLU C C 70 175.254 174.715 0.539 1
1 800 . 20 1 1 A 70 70 GLU CA C 70 56.490 55.089 1.401 1
1 801 . 20 1 1 A 70 70 GLU CB C 70 30.636 33.386 -2.750 1
1 803 . 20 1 1 A 70 70 GLU N N 70 122.138 122.706 -0.568 1
1 804 . 20 1 1 A 71 71 ASN H H 71 8.095 8.717 -0.622 1
1 805 . 20 1 1 A 71 71 ASN HA H 71 4.462 4.749 -0.287 1
1 810 . 20 1 1 A 71 71 ASN C C 71 179.333 175.775 3.558 1
1 811 . 20 1 1 A 71 71 ASN CA C 71 55.009 54.649 0.360 1
1 812 . 20 1 1 A 71 71 ASN CB C 71 41.051 37.682 3.369 1
1 813 . 20 1 1 A 71 71 ASN N N 71 124.912 124.330 0.582 1
1 815 . 20 1 1 A 72 72 GLY HA2 H 72 3.944 4.200 -0.256 1
1 816 . 20 1 1 A 72 72 GLY HA3 H 72 3.872 4.202 -0.330 1
1 817 . 20 1 1 A 72 72 GLY C C 72 175.060 173.066 1.994 1
1 818 . 20 1 1 A 72 72 GLY CA C 72 45.579 45.519 0.060 1
1 819 . 20 1 1 A 73 73 GLY H H 73 8.416 8.477 -0.061 1
1 820 . 20 1 1 A 73 73 GLY HA2 H 73 3.947 4.080 -0.133 1
1 821 . 20 1 1 A 73 73 GLY HA3 H 73 3.947 4.083 -0.136 1
1 822 . 20 1 1 A 73 73 GLY C C 73 174.356 174.026 0.330 1
1 823 . 20 1 1 A 73 73 GLY CA C 73 45.280 44.514 0.766 1
1 824 . 20 1 1 A 73 73 GLY N N 73 108.960 108.343 0.617 1
1 825 . 20 1 1 A 74 74 VAL H H 74 8.059 8.336 -0.277 1
1 826 . 20 1 1 A 74 74 VAL HA H 74 4.181 4.158 0.023 1
1 834 . 20 1 1 A 74 74 VAL C C 74 176.419 175.069 1.350 1
1 835 . 20 1 1 A 74 74 VAL CA C 74 62.309 63.027 -0.718 1
1 836 . 20 1 1 A 74 74 VAL CB C 74 32.843 31.212 1.631 1
1 839 . 20 1 1 A 74 74 VAL N N 74 118.980 121.682 -2.702 1
1 840 . 20 1 1 A 75 75 SER H H 75 8.430 8.805 -0.375 1
1 841 . 20 1 1 A 75 75 SER HA H 75 4.493 5.273 -0.780 1
1 844 . 20 1 1 A 75 75 SER C C 75 174.525 173.356 1.169 1
1 845 . 20 1 1 A 75 75 SER CA C 75 58.349 56.508 1.841 1
1 846 . 20 1 1 A 75 75 SER CB C 75 63.880 64.984 -1.104 1
1 847 . 20 1 1 A 75 75 SER N N 75 119.288 123.413 -4.125 1
1 848 . 20 1 1 A 76 76 GLY H H 76 8.206 8.198 0.008 1
1 849 . 20 1 1 A 76 76 GLY C C 76 171.757 171.651 0.106 1
1 850 . 20 1 1 A 76 76 GLY CA C 76 44.642 45.559 -0.917 1
1 851 . 20 1 1 A 76 76 GLY N N 76 110.769 112.388 -1.619 1
1 852 . 20 1 1 A 79 79 SER HA H 79 4.474 4.680 -0.206 1
1 855 . 20 1 1 A 79 79 SER C C 79 173.918 176.172 -2.254 1
1 856 . 20 1 1 A 79 79 SER CA C 79 58.430 58.028 0.402 1
1 857 . 20 1 1 A 79 79 SER CB C 79 64.045 64.272 -0.227 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 66 1.239 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.551 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 0.966 1
4 1 1 1 "RMS(OBS, PRED)" H 60 0.476 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.237 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.623 1
7 1 2 1 "RMS(OBS, PRED)" C 66 1.123 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.258 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 0.811 1
10 1 2 1 "RMS(OBS, PRED)" H 60 0.454 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.223 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.605 1
13 1 3 1 "RMS(OBS, PRED)" C 66 1.202 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.400 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 0.966 1
16 1 3 1 "RMS(OBS, PRED)" H 60 0.416 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.206 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.557 1
19 1 4 1 "RMS(OBS, PRED)" C 66 1.140 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.474 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 1.146 1
22 1 4 1 "RMS(OBS, PRED)" H 60 0.449 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.233 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.593 1
25 1 5 1 "RMS(OBS, PRED)" C 66 1.214 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.409 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 0.868 1
28 1 5 1 "RMS(OBS, PRED)" H 60 0.468 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.276 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.620 1
31 1 6 1 "RMS(OBS, PRED)" C 66 1.118 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.489 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 1.062 1
34 1 6 1 "RMS(OBS, PRED)" H 60 0.439 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.245 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.490 1
37 1 7 1 "RMS(OBS, PRED)" C 66 1.110 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.319 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 0.862 1
40 1 7 1 "RMS(OBS, PRED)" H 60 0.489 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.222 1
42 1 7 1 "RMS(OBS, PRED)" N 60 3.007 1
43 1 8 1 "RMS(OBS, PRED)" C 66 1.123 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.418 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 0.916 1
46 1 8 1 "RMS(OBS, PRED)" H 60 0.454 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.194 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.681 1
49 1 9 1 "RMS(OBS, PRED)" C 66 1.200 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.272 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 1.078 1
52 1 9 1 "RMS(OBS, PRED)" H 60 0.475 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.284 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.443 1
55 1 10 1 "RMS(OBS, PRED)" C 66 1.175 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.283 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 1.063 1
58 1 10 1 "RMS(OBS, PRED)" H 60 0.450 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.234 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.828 1
61 1 11 1 "RMS(OBS, PRED)" C 66 1.311 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.382 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.121 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.493 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.288 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.834 1
67 1 12 1 "RMS(OBS, PRED)" C 66 1.074 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.232 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 1.006 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.465 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.266 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.628 1
73 1 13 1 "RMS(OBS, PRED)" C 66 1.264 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.207 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 1.189 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.468 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.234 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.596 1
79 1 14 1 "RMS(OBS, PRED)" C 66 1.214 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.359 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 0.928 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.434 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.223 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.578 1
85 1 15 1 "RMS(OBS, PRED)" C 66 1.092 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.367 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 0.980 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.443 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.262 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.567 1
91 1 16 1 "RMS(OBS, PRED)" C 66 1.164 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.517 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 1.120 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.428 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.251 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.952 1
97 1 17 1 "RMS(OBS, PRED)" C 66 1.173 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.392 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 0.982 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.434 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.241 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.655 1
103 1 18 1 "RMS(OBS, PRED)" C 66 1.084 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.401 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 0.896 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.455 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.217 1
108 1 18 1 "RMS(OBS, PRED)" N 60 2.751 1
109 1 19 1 "RMS(OBS, PRED)" C 66 1.047 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.387 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.040 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.439 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.210 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.618 1
115 1 20 1 "RMS(OBS, PRED)" C 66 1.140 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.325 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 1.035 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.394 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.245 1
120 1 20 1 "RMS(OBS, PRED)" N 60 2.381 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.959 4.093 -0.134 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.959 4.096 -0.137 2
1 3 . 1 1 A 7 7 GLY C C 7 174.210 173.575 0.635 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.270 45.224 0.046 2
1 5 . 1 1 A 8 8 LYS H H 8 7.993 8.345 -0.352 2
1 6 . 1 1 A 8 8 LYS C C 8 176.347 175.979 0.368 2
1 7 . 1 1 A 8 8 LYS CA C 8 62.168 55.982 6.186 2
1 8 . 1 1 A 8 8 LYS CB C 8 32.974 34.342 -1.368 2
1 9 . 1 1 A 8 8 LYS N N 8 118.865 120.589 -1.724 2
1 10 . 1 1 A 12 12 THR HA H 12 4.227 4.720 -0.493 2
1 15 . 1 1 A 12 12 THR CA C 12 61.902 60.373 1.529 2
1 16 . 1 1 A 12 12 THR CB C 12 69.926 70.424 -0.498 2
1 18 . 1 1 A 13 13 SER HA H 13 4.401 4.669 -0.268 2
1 21 . 1 1 A 13 13 SER C C 13 173.627 173.404 0.223 2
1 22 . 1 1 A 13 13 SER CA C 13 57.513 57.760 -0.247 2
1 23 . 1 1 A 13 13 SER CB C 13 63.880 64.146 -0.266 2
1 24 . 1 1 A 14 14 PHE H H 14 8.197 8.758 -0.561 2
1 25 . 1 1 A 14 14 PHE HA H 14 4.701 4.854 -0.153 2
1 33 . 1 1 A 14 14 PHE C C 14 176.177 175.383 0.794 2
1 34 . 1 1 A 14 14 PHE CA C 14 57.539 57.155 0.384 2
1 35 . 1 1 A 14 14 PHE CB C 14 41.041 41.867 -0.826 2
1 41 . 1 1 A 14 14 PHE N N 14 121.084 123.744 -2.660 2
1 42 . 1 1 A 15 15 LYS H H 15 8.548 8.867 -0.319 2
1 43 . 1 1 A 15 15 LYS HA H 15 4.449 4.494 -0.045 2
1 51 . 1 1 A 15 15 LYS C C 15 178.532 177.811 0.721 2
1 52 . 1 1 A 15 15 LYS CA C 15 55.291 55.323 -0.032 2
1 53 . 1 1 A 15 15 LYS CB C 15 33.993 33.552 0.441 2
1 57 . 1 1 A 15 15 LYS N N 15 120.600 121.253 -0.653 2
1 58 . 1 1 A 16 16 HIS HA H 16 4.238 4.401 -0.163 2
1 62 . 1 1 A 16 16 HIS CA C 16 60.805 58.315 2.490 2
1 63 . 1 1 A 16 16 HIS CB C 16 30.416 29.706 0.710 2
1 65 . 1 1 A 17 17 HIS HA H 17 4.218 4.222 -0.004 2
1 69 . 1 1 A 17 17 HIS C C 17 177.731 177.424 0.307 2
1 70 . 1 1 A 17 17 HIS CA C 17 58.994 59.247 -0.253 2
1 71 . 1 1 A 17 17 HIS CB C 17 29.627 29.860 -0.233 2
1 73 . 1 1 A 18 18 GLN H H 18 6.563 8.087 -1.524 2
1 74 . 1 1 A 18 18 GLN HA H 18 3.747 3.958 -0.211 2
1 81 . 1 1 A 18 18 GLN C C 18 177.051 178.103 -1.052 2
1 82 . 1 1 A 18 18 GLN CA C 18 58.148 58.427 -0.279 2
1 83 . 1 1 A 18 18 GLN CB C 18 27.752 28.502 -0.750 2
1 85 . 1 1 A 18 18 GLN N N 18 119.371 117.303 2.068 2
1 87 . 1 1 A 19 19 LEU H H 19 7.532 7.989 -0.457 2
1 88 . 1 1 A 19 19 LEU HA H 19 3.570 3.617 -0.047 2
1 98 . 1 1 A 19 19 LEU C C 19 178.362 178.740 -0.378 2
1 99 . 1 1 A 19 19 LEU CA C 19 57.464 57.657 -0.193 2
1 100 . 1 1 A 19 19 LEU CB C 19 42.092 41.370 0.722 2
1 104 . 1 1 A 19 19 LEU N N 19 118.862 120.446 -1.584 2
1 105 . 1 1 A 20 20 ARG H H 20 8.168 8.047 0.121 2
1 106 . 1 1 A 20 20 ARG HA H 20 3.899 3.953 -0.054 2
1 113 . 1 1 A 20 20 ARG C C 20 179.358 178.497 0.861 2
1 114 . 1 1 A 20 20 ARG CA C 20 59.641 59.209 0.432 2
1 115 . 1 1 A 20 20 ARG CB C 20 29.869 29.989 -0.120 2
1 118 . 1 1 A 20 20 ARG N N 20 118.228 119.627 -1.399 2
1 119 . 1 1 A 21 21 THR H H 21 7.592 7.619 -0.027 2
1 120 . 1 1 A 21 21 THR HA H 21 3.854 3.968 -0.114 2
1 125 . 1 1 A 21 21 THR C C 21 176.662 176.811 -0.149 2
1 126 . 1 1 A 21 21 THR CA C 21 66.646 66.758 -0.112 2
1 127 . 1 1 A 21 21 THR CB C 21 68.271 68.505 -0.234 2
1 129 . 1 1 A 21 21 THR N N 21 117.730 116.316 1.414 2
1 130 . 1 1 A 22 22 MET H H 22 7.910 7.932 -0.022 2
1 131 . 1 1 A 22 22 MET HA H 22 3.537 4.153 -0.616 2
1 139 . 1 1 A 22 22 MET C C 22 177.099 178.677 -1.578 2
1 140 . 1 1 A 22 22 MET CA C 22 61.053 58.815 2.238 2
1 141 . 1 1 A 22 22 MET CB C 22 31.655 32.336 -0.681 2
1 144 . 1 1 A 22 22 MET N N 22 121.373 118.254 3.119 2
1 145 . 1 1 A 23 23 LYS H H 23 8.663 8.217 0.446 2
1 146 . 1 1 A 23 23 LYS HA H 23 4.037 4.243 -0.206 2
1 155 . 1 1 A 23 23 LYS C C 23 180.183 179.301 0.882 2
1 156 . 1 1 A 23 23 LYS CA C 23 60.743 60.182 0.561 2
1 157 . 1 1 A 23 23 LYS CB C 23 32.386 32.560 -0.174 2
1 161 . 1 1 A 23 23 LYS N N 23 117.749 120.145 -2.396 2
1 162 . 1 1 A 24 24 SER H H 24 8.182 7.872 0.310 2
1 163 . 1 1 A 24 24 SER HA H 24 4.291 4.278 0.013 2
1 166 . 1 1 A 24 24 SER C C 24 176.298 176.498 -0.200 2
1 167 . 1 1 A 24 24 SER CA C 24 61.850 61.801 0.049 2
1 168 . 1 1 A 24 24 SER CB C 24 62.661 63.252 -0.591 2
1 169 . 1 1 A 24 24 SER N N 24 115.784 115.150 0.634 2
1 170 . 1 1 A 25 25 TYR H H 25 7.860 8.085 -0.225 2
1 171 . 1 1 A 25 25 TYR HA H 25 4.168 4.377 -0.209 2
1 178 . 1 1 A 25 25 TYR C C 25 177.731 177.834 -0.103 2
1 179 . 1 1 A 25 25 TYR CA C 25 62.168 61.788 0.380 2
1 180 . 1 1 A 25 25 TYR CB C 25 38.810 38.677 0.133 2
1 185 . 1 1 A 25 25 TYR N N 25 122.606 123.004 -0.398 2
1 186 . 1 1 A 26 26 PHE H H 26 9.057 8.655 0.402 2
1 187 . 1 1 A 26 26 PHE HA H 26 4.587 4.510 0.077 2
1 195 . 1 1 A 26 26 PHE C C 26 174.987 177.983 -2.996 2
1 196 . 1 1 A 26 26 PHE CA C 26 61.043 61.767 -0.724 2
1 197 . 1 1 A 26 26 PHE CB C 26 39.600 39.516 0.084 2
1 203 . 1 1 A 26 26 PHE N N 26 121.419 121.188 0.231 2
1 204 . 1 1 A 27 27 ALA H H 27 7.459 7.944 -0.485 2
1 205 . 1 1 A 27 27 ALA HA H 27 4.051 3.955 0.096 2
1 209 . 1 1 A 27 27 ALA C C 27 178.775 180.040 -1.265 2
1 210 . 1 1 A 27 27 ALA CA C 27 54.233 54.863 -0.630 2
1 211 . 1 1 A 27 27 ALA CB C 27 18.405 18.592 -0.187 2
1 212 . 1 1 A 27 27 ALA N N 27 114.718 120.950 -6.232 2
1 213 . 1 1 A 28 28 ILE H H 28 7.405 7.562 -0.157 2
1 214 . 1 1 A 28 28 ILE HA H 28 3.985 3.803 0.182 2
1 224 . 1 1 A 28 28 ILE C C 28 176.055 175.992 0.063 2
1 225 . 1 1 A 28 28 ILE CA C 28 61.603 63.571 -1.968 2
1 226 . 1 1 A 28 28 ILE CB C 28 39.090 38.172 0.919 2
1 230 . 1 1 A 28 28 ILE N N 28 115.025 115.964 -0.939 2
1 231 . 1 1 A 29 29 ASN H H 29 8.087 7.872 0.215 2
1 232 . 1 1 A 29 29 ASN HA H 29 4.511 4.817 -0.306 2
1 237 . 1 1 A 29 29 ASN C C 29 172.947 174.826 -1.879 2
1 238 . 1 1 A 29 29 ASN CA C 29 52.594 52.230 0.364 2
1 239 . 1 1 A 29 29 ASN CB C 29 39.402 40.753 -1.351 2
1 240 . 1 1 A 29 29 ASN N N 29 119.219 116.458 2.761 2
1 242 . 1 1 A 30 30 HIS H H 30 8.408 8.540 -0.133 2
1 243 . 1 1 A 30 30 HIS HA H 30 4.499 4.652 -0.153 2
1 247 . 1 1 A 30 30 HIS C C 30 175.472 175.583 -0.111 2
1 248 . 1 1 A 30 30 HIS CA C 30 55.538 58.113 -2.575 2
1 249 . 1 1 A 30 30 HIS CB C 30 31.578 30.264 1.314 2
1 251 . 1 1 A 30 30 HIS N N 30 120.962 122.453 -1.491 2
1 252 . 1 1 A 31 31 ASN H H 31 7.931 7.971 -0.040 2
1 253 . 1 1 A 31 31 ASN HA H 31 5.099 5.091 0.008 2
1 258 . 1 1 A 31 31 ASN C C 31 170.762 172.730 -1.968 2
1 259 . 1 1 A 31 31 ASN CA C 31 51.130 50.743 0.387 2
1 260 . 1 1 A 31 31 ASN CB C 31 40.625 39.159 1.466 2
1 261 . 1 1 A 31 31 ASN N N 31 114.800 116.293 -1.493 2
1 263 . 1 1 A 32 32 PRO HA H 32 4.565 4.676 -0.111 2
1 270 . 1 1 A 32 32 PRO C C 32 176.832 176.186 0.646 2
1 271 . 1 1 A 32 32 PRO CA C 32 63.120 62.572 0.548 2
1 272 . 1 1 A 32 32 PRO CB C 32 31.715 32.157 -0.442 2
1 275 . 1 1 A 33 33 ASP H H 33 8.758 8.544 0.214 2
1 276 . 1 1 A 33 33 ASP HA H 33 4.526 4.882 -0.356 2
1 279 . 1 1 A 33 33 ASP C C 33 175.667 177.355 -1.688 2
1 280 . 1 1 A 33 33 ASP CA C 33 51.908 53.180 -1.272 2
1 281 . 1 1 A 33 33 ASP CB C 33 41.113 42.094 -0.981 2
1 282 . 1 1 A 33 33 ASP N N 33 123.573 121.363 2.210 2
1 283 . 1 1 A 34 34 ALA H H 34 8.274 8.910 -0.636 2
1 284 . 1 1 A 34 34 ALA HA H 34 3.914 3.964 -0.050 2
1 288 . 1 1 A 34 34 ALA C C 34 180.742 179.512 1.230 2
1 289 . 1 1 A 34 34 ALA CA C 34 56.073 55.715 0.358 2
1 290 . 1 1 A 34 34 ALA CB C 34 18.510 18.253 0.257 2
1 291 . 1 1 A 34 34 ALA N N 34 119.222 124.238 -5.016 2
1 292 . 1 1 A 35 35 LYS H H 35 7.931 8.183 -0.252 2
1 293 . 1 1 A 35 35 LYS HA H 35 4.019 3.897 0.122 2
1 302 . 1 1 A 35 35 LYS C C 35 179.430 178.569 0.861 2
1 303 . 1 1 A 35 35 LYS CA C 35 59.485 59.804 -0.319 2
1 304 . 1 1 A 35 35 LYS CB C 35 31.535 32.261 -0.726 2
1 308 . 1 1 A 35 35 LYS N N 35 119.343 118.248 1.095 2
1 309 . 1 1 A 36 36 ASP H H 36 8.611 8.075 0.536 2
1 310 . 1 1 A 36 36 ASP HA H 36 4.408 4.431 -0.023 2
1 313 . 1 1 A 36 36 ASP C C 36 179.479 178.821 0.658 2
1 314 . 1 1 A 36 36 ASP CA C 36 57.090 57.113 -0.023 2
1 315 . 1 1 A 36 36 ASP CB C 36 39.930 40.645 -0.715 2
1 316 . 1 1 A 36 36 ASP N N 36 123.478 119.691 3.787 2
1 317 . 1 1 A 37 37 LEU H H 37 8.743 8.315 0.428 2
1 318 . 1 1 A 37 37 LEU HA H 37 3.805 3.766 0.039 2
1 328 . 1 1 A 37 37 LEU C C 37 178.799 178.966 -0.168 2
1 329 . 1 1 A 37 37 LEU CA C 37 58.148 57.833 0.315 2
1 330 . 1 1 A 37 37 LEU CB C 37 42.233 41.593 0.640 2
1 334 . 1 1 A 37 37 LEU N N 37 120.010 120.593 -0.583 2
1 335 . 1 1 A 38 38 LYS H H 38 7.756 8.419 -0.663 2
1 336 . 1 1 A 38 38 LYS HA H 38 3.956 4.007 -0.051 2
1 343 . 1 1 A 38 38 LYS C C 38 179.090 178.463 0.627 2
1 344 . 1 1 A 38 38 LYS CA C 38 59.950 59.071 0.879 2
1 345 . 1 1 A 38 38 LYS CB C 38 32.315 32.057 0.258 2
1 349 . 1 1 A 38 38 LYS N N 38 120.326 117.839 2.487 2
1 350 . 1 1 A 39 39 GLN H H 39 7.634 7.635 -0.000 2
1 351 . 1 1 A 39 39 GLN HA H 39 4.156 4.031 0.125 2
1 358 . 1 1 A 39 39 GLN C C 39 178.896 179.034 -0.138 2
1 359 . 1 1 A 39 39 GLN CA C 39 58.888 58.554 0.334 2
1 360 . 1 1 A 39 39 GLN CB C 39 28.441 28.252 0.189 2
1 362 . 1 1 A 39 39 GLN N N 39 119.272 119.101 0.171 2
1 364 . 1 1 A 40 40 LEU H H 40 8.541 8.063 0.478 2
1 365 . 1 1 A 40 40 LEU HA H 40 3.848 3.997 -0.149 2
1 375 . 1 1 A 40 40 LEU C C 40 180.256 178.893 1.363 2
1 376 . 1 1 A 40 40 LEU CA C 40 57.866 57.697 0.169 2
1 377 . 1 1 A 40 40 LEU CB C 40 43.074 41.370 1.704 2
1 381 . 1 1 A 40 40 LEU N N 40 120.555 120.212 0.343 2
1 382 . 1 1 A 41 41 ALA H H 41 8.633 8.235 0.398 2
1 383 . 1 1 A 41 41 ALA HA H 41 4.032 3.948 0.084 2
1 387 . 1 1 A 41 41 ALA C C 41 179.722 179.236 0.486 2
1 388 . 1 1 A 41 41 ALA CA C 41 55.923 54.868 1.055 2
1 389 . 1 1 A 41 41 ALA CB C 41 17.836 18.425 -0.589 2
1 390 . 1 1 A 41 41 ALA N N 41 127.288 120.771 6.517 2
1 391 . 1 1 A 42 42 GLN H H 42 7.698 7.538 0.160 2
1 392 . 1 1 A 42 42 GLN HA H 42 4.034 4.245 -0.211 2
1 399 . 1 1 A 42 42 GLN C C 42 178.848 178.102 0.746 2
1 400 . 1 1 A 42 42 GLN CA C 42 58.853 57.816 1.037 2
1 401 . 1 1 A 42 42 GLN CB C 42 28.276 29.198 -0.922 2
1 403 . 1 1 A 42 42 GLN N N 42 118.543 116.584 1.959 2
1 405 . 1 1 A 43 43 LYS H H 43 8.099 7.712 0.387 2
1 406 . 1 1 A 43 43 LYS HA H 43 4.172 4.078 0.094 2
1 415 . 1 1 A 43 43 LYS C C 43 178.581 178.009 0.572 2
1 416 . 1 1 A 43 43 LYS CA C 43 58.741 58.757 -0.016 2
1 417 . 1 1 A 43 43 LYS CB C 43 34.128 32.379 1.749 2
1 421 . 1 1 A 43 43 LYS N N 43 116.650 119.267 -2.617 2
1 422 . 1 1 A 44 44 THR H H 44 8.053 7.771 0.282 2
1 423 . 1 1 A 44 44 THR HA H 44 4.517 4.530 -0.013 2
1 428 . 1 1 A 44 44 THR C C 44 176.104 175.938 0.166 2
1 429 . 1 1 A 44 44 THR CA C 44 63.114 62.220 0.894 2
1 430 . 1 1 A 44 44 THR CB C 44 72.379 71.373 1.006 2
1 432 . 1 1 A 44 44 THR N N 44 105.200 107.854 -2.654 2
1 433 . 1 1 A 45 45 GLY H H 45 8.327 8.140 0.187 2
1 434 . 1 1 A 45 45 GLY HA2 H 45 3.882 3.962 -0.080 2
1 435 . 1 1 A 45 45 GLY HA3 H 45 4.257 3.967 0.290 2
1 436 . 1 1 A 45 45 GLY C C 45 174.283 174.286 -0.003 2
1 437 . 1 1 A 45 45 GLY CA C 45 45.950 45.020 0.930 2
1 438 . 1 1 A 45 45 GLY N N 45 111.805 111.269 0.536 2
1 439 . 1 1 A 46 46 LEU H H 46 7.710 7.540 0.171 2
1 440 . 1 1 A 46 46 LEU HA H 46 4.692 4.457 0.236 2
1 450 . 1 1 A 46 46 LEU C C 46 176.249 176.438 -0.189 2
1 451 . 1 1 A 46 46 LEU CA C 46 53.293 54.659 -1.366 2
1 452 . 1 1 A 46 46 LEU CB C 46 44.084 42.571 1.513 2
1 456 . 1 1 A 46 46 LEU N N 46 121.162 122.447 -1.285 2
1 457 . 1 1 A 47 47 THR H H 47 7.718 8.446 -0.728 2
1 458 . 1 1 A 47 47 THR HA H 47 4.379 4.707 -0.328 2
1 463 . 1 1 A 47 47 THR C C 47 175.594 175.261 0.333 2
1 464 . 1 1 A 47 47 THR CA C 47 60.475 60.114 0.361 2
1 465 . 1 1 A 47 47 THR CB C 47 71.045 71.055 -0.010 2
1 467 . 1 1 A 47 47 THR N N 47 107.953 114.206 -6.253 2
1 468 . 1 1 A 48 48 LYS H H 48 8.750 8.970 -0.220 2
1 469 . 1 1 A 48 48 LYS HA H 48 3.788 3.912 -0.124 2
1 478 . 1 1 A 48 48 LYS C C 48 178.119 178.102 0.017 2
1 479 . 1 1 A 48 48 LYS CA C 48 60.816 60.201 0.615 2
1 480 . 1 1 A 48 48 LYS CB C 48 32.050 32.208 -0.158 2
1 484 . 1 1 A 48 48 LYS N N 48 120.566 125.543 -4.977 2
1 485 . 1 1 A 49 49 ARG H H 49 8.274 7.741 0.533 2
1 486 . 1 1 A 49 49 ARG HA H 49 4.214 4.114 0.101 2
1 492 . 1 1 A 49 49 ARG C C 49 178.216 178.669 -0.453 2
1 493 . 1 1 A 49 49 ARG CA C 49 59.170 58.967 0.203 2
1 494 . 1 1 A 49 49 ARG CB C 49 30.181 29.971 0.210 2
1 497 . 1 1 A 49 49 ARG N N 49 116.915 119.416 -2.501 2
1 498 . 1 1 A 50 50 VAL H H 50 7.310 7.903 -0.593 2
1 499 . 1 1 A 50 50 VAL HA H 50 3.730 3.714 0.016 2
1 507 . 1 1 A 50 50 VAL C C 50 179.406 178.371 1.035 2
1 508 . 1 1 A 50 50 VAL CA C 50 66.576 66.606 -0.030 2
1 509 . 1 1 A 50 50 VAL CB C 50 31.655 31.681 -0.026 2
1 512 . 1 1 A 50 50 VAL N N 50 119.540 119.500 0.040 2
1 513 . 1 1 A 51 51 LEU H H 51 8.115 8.099 0.016 2
1 514 . 1 1 A 51 51 LEU HA H 51 4.133 3.974 0.159 2
1 524 . 1 1 A 51 51 LEU C C 51 178.726 179.169 -0.443 2
1 525 . 1 1 A 51 51 LEU CA C 51 58.465 58.304 0.161 2
1 526 . 1 1 A 51 51 LEU CB C 51 43.173 41.526 1.647 2
1 530 . 1 1 A 51 51 LEU N N 51 120.715 119.206 1.509 2
1 531 . 1 1 A 52 52 GLN H H 52 8.981 8.351 0.630 2
1 532 . 1 1 A 52 52 GLN HA H 52 4.131 4.043 0.088 2
1 539 . 1 1 A 52 52 GLN C C 52 179.600 178.692 0.908 2
1 540 . 1 1 A 52 52 GLN CA C 52 60.226 58.757 1.469 2
1 541 . 1 1 A 52 52 GLN CB C 52 29.018 28.447 0.571 2
1 543 . 1 1 A 52 52 GLN N N 52 118.651 117.245 1.406 2
1 545 . 1 1 A 53 53 VAL H H 53 8.057 8.335 -0.278 2
1 546 . 1 1 A 53 53 VAL HA H 53 3.723 3.754 -0.031 2
1 554 . 1 1 A 53 53 VAL C C 53 177.755 178.343 -0.588 2
1 555 . 1 1 A 53 53 VAL CA C 53 66.646 66.782 -0.136 2
1 556 . 1 1 A 53 53 VAL CB C 53 32.196 31.687 0.509 2
1 559 . 1 1 A 53 53 VAL N N 53 120.778 120.125 0.653 2
1 560 . 1 1 A 54 54 TRP H H 54 8.377 8.320 0.057 2
1 561 . 1 1 A 54 54 TRP HA H 54 4.036 4.209 -0.173 2
1 570 . 1 1 A 54 54 TRP C C 54 180.110 178.038 2.072 2
1 571 . 1 1 A 54 54 TRP CA C 54 63.543 61.205 2.338 2
1 572 . 1 1 A 54 54 TRP CB C 54 28.771 29.784 -1.013 2
1 578 . 1 1 A 54 54 TRP N N 54 122.326 121.365 0.961 2
1 580 . 1 1 A 55 55 PHE H H 55 9.196 8.672 0.524 2
1 581 . 1 1 A 55 55 PHE HA H 55 3.808 4.143 -0.335 2
1 589 . 1 1 A 55 55 PHE C C 55 177.973 178.293 -0.320 2
1 590 . 1 1 A 55 55 PHE CA C 55 63.557 62.047 1.510 2
1 591 . 1 1 A 55 55 PHE CB C 55 39.139 38.877 0.262 2
1 597 . 1 1 A 55 55 PHE N N 55 118.085 117.992 0.093 2
1 598 . 1 1 A 56 56 GLN H H 56 8.289 8.458 -0.169 2
1 599 . 1 1 A 56 56 GLN HA H 56 3.992 3.957 0.035 2
1 606 . 1 1 A 56 56 GLN C C 56 179.212 178.929 0.283 2
1 607 . 1 1 A 56 56 GLN CA C 56 59.699 59.353 0.346 2
1 608 . 1 1 A 56 56 GLN CB C 56 28.236 28.301 -0.065 2
1 610 . 1 1 A 56 56 GLN N N 56 119.990 117.477 2.513 2
1 612 . 1 1 A 57 57 ASN H H 57 8.244 8.150 0.094 2
1 613 . 1 1 A 57 57 ASN HA H 57 4.341 4.398 -0.057 2
1 618 . 1 1 A 57 57 ASN C C 57 177.124 177.823 -0.699 2
1 619 . 1 1 A 57 57 ASN CA C 57 55.820 56.056 -0.236 2
1 620 . 1 1 A 57 57 ASN CB C 57 38.025 37.877 0.148 2
1 621 . 1 1 A 57 57 ASN N N 57 119.713 117.981 1.732 2
1 623 . 1 1 A 58 58 ALA H H 58 8.224 7.806 0.418 2
1 624 . 1 1 A 58 58 ALA HA H 58 3.323 3.601 -0.278 2
1 628 . 1 1 A 58 58 ALA C C 58 180.814 179.885 0.929 2
1 629 . 1 1 A 58 58 ALA CA C 58 54.712 54.893 -0.181 2
1 630 . 1 1 A 58 58 ALA CB C 58 16.697 17.554 -0.857 2
1 631 . 1 1 A 58 58 ALA N N 58 125.439 122.579 2.860 2
1 632 . 1 1 A 59 59 ARG H H 59 8.404 7.745 0.659 2
1 633 . 1 1 A 59 59 ARG HA H 59 4.009 4.181 -0.172 2
1 640 . 1 1 A 59 59 ARG C C 59 178.678 178.811 -0.133 2
1 641 . 1 1 A 59 59 ARG CA C 59 60.969 59.669 1.300 2
1 642 . 1 1 A 59 59 ARG CB C 59 31.491 29.988 1.503 2
1 645 . 1 1 A 59 59 ARG N N 59 118.829 117.824 1.005 2
1 646 . 1 1 A 60 60 ALA H H 60 7.711 7.798 -0.087 2
1 647 . 1 1 A 60 60 ALA HA H 60 4.162 4.075 0.087 2
1 651 . 1 1 A 60 60 ALA C C 60 180.086 179.285 0.801 2
1 652 . 1 1 A 60 60 ALA CA C 60 55.116 55.138 -0.022 2
1 653 . 1 1 A 60 60 ALA CB C 60 17.993 18.339 -0.346 2
1 654 . 1 1 A 60 60 ALA N N 60 122.099 121.803 0.296 2
1 655 . 1 1 A 61 61 LYS H H 61 7.845 7.827 0.018 2
1 656 . 1 1 A 61 61 LYS HA H 61 3.912 4.005 -0.093 2
1 665 . 1 1 A 61 61 LYS C C 61 177.876 178.434 -0.558 2
1 666 . 1 1 A 61 61 LYS CA C 61 58.699 59.481 -0.783 2
1 667 . 1 1 A 61 61 LYS CB C 61 32.412 32.202 0.210 2
1 671 . 1 1 A 61 61 LYS N N 61 118.453 118.646 -0.193 2
1 672 . 1 1 A 62 62 PHE H H 62 7.986 8.320 -0.334 2
1 673 . 1 1 A 62 62 PHE HA H 62 4.249 4.125 0.124 2
1 681 . 1 1 A 62 62 PHE C C 62 177.148 177.230 -0.082 2
1 682 . 1 1 A 62 62 PHE CA C 62 60.592 61.818 -1.226 2
1 683 . 1 1 A 62 62 PHE CB C 62 39.439 39.253 0.186 2
1 689 . 1 1 A 62 62 PHE N N 62 120.207 120.705 -0.498 2
1 690 . 1 1 A 63 63 ARG H H 63 8.034 8.092 -0.058 2
1 691 . 1 1 A 63 63 ARG HA H 63 4.071 4.011 0.060 2
1 698 . 1 1 A 63 63 ARG C C 63 177.342 178.563 -1.221 2
1 699 . 1 1 A 63 63 ARG CA C 63 58.068 59.504 -1.436 2
1 700 . 1 1 A 63 63 ARG CB C 63 30.282 30.037 0.245 2
1 703 . 1 1 A 63 63 ARG N N 63 119.257 117.616 1.641 2
1 704 . 1 1 A 64 64 ARG H H 64 7.956 7.955 0.001 2
1 705 . 1 1 A 64 64 ARG HA H 64 4.096 4.036 0.060 2
1 712 . 1 1 A 64 64 ARG C C 64 177.366 178.531 -1.165 2
1 713 . 1 1 A 64 64 ARG CA C 64 57.971 59.087 -1.116 2
1 714 . 1 1 A 64 64 ARG CB C 64 30.419 29.958 0.461 2
1 717 . 1 1 A 64 64 ARG N N 64 119.492 119.842 -0.350 2
1 718 . 1 1 A 65 65 ASN H H 65 8.042 7.985 0.057 2
1 719 . 1 1 A 65 65 ASN HA H 65 4.537 4.389 0.148 2
1 724 . 1 1 A 65 65 ASN C C 65 176.152 177.457 -1.305 2
1 725 . 1 1 A 65 65 ASN CA C 65 54.348 55.878 -1.530 2
1 726 . 1 1 A 65 65 ASN CB C 65 38.466 38.413 0.053 2
1 727 . 1 1 A 65 65 ASN N N 65 117.555 117.789 -0.234 2
1 729 . 1 1 A 66 66 LEU H H 66 7.777 7.729 0.048 2
1 730 . 1 1 A 66 66 LEU HA H 66 4.140 3.992 0.148 2
1 740 . 1 1 A 66 66 LEU C C 66 177.779 178.592 -0.813 2
1 741 . 1 1 A 66 66 LEU CA C 66 56.138 57.454 -1.316 2
1 742 . 1 1 A 66 66 LEU CB C 66 42.160 41.791 0.369 2
1 746 . 1 1 A 66 66 LEU N N 66 121.103 120.107 0.996 2
1 747 . 1 1 A 67 67 LEU H H 67 7.861 7.774 0.087 2
1 748 . 1 1 A 67 67 LEU HA H 67 4.252 4.157 0.095 2
1 758 . 1 1 A 67 67 LEU C C 67 177.245 176.816 0.429 2
1 759 . 1 1 A 67 67 LEU CA C 67 55.445 56.744 -1.299 2
1 760 . 1 1 A 67 67 LEU CB C 67 42.122 41.603 0.519 2
1 764 . 1 1 A 67 67 LEU N N 67 120.121 117.468 2.653 2
1 765 . 1 1 A 68 68 ARG H H 68 7.963 7.745 0.218 2
1 766 . 1 1 A 68 68 ARG HA H 68 4.265 4.181 0.084 2
1 773 . 1 1 A 68 68 ARG C C 68 175.934 176.043 -0.109 2
1 774 . 1 1 A 68 68 ARG CA C 68 56.208 56.271 -0.063 2
1 775 . 1 1 A 68 68 ARG CB C 68 30.839 29.950 0.889 2
1 778 . 1 1 A 68 68 ARG N N 68 120.189 118.869 1.320 2
1 779 . 1 1 A 69 69 GLN H H 69 8.303 8.360 -0.057 2
1 780 . 1 1 A 69 69 GLN HA H 69 4.320 4.277 0.043 2
1 787 . 1 1 A 69 69 GLN C C 69 175.740 175.414 0.326 2
1 788 . 1 1 A 69 69 GLN CA C 69 55.891 56.466 -0.575 2
1 789 . 1 1 A 69 69 GLN CB C 69 29.556 28.786 0.770 2
1 791 . 1 1 A 69 69 GLN N N 69 121.097 122.410 -1.313 2
1 793 . 1 1 A 70 70 GLU H H 70 8.391 8.145 0.246 2
1 794 . 1 1 A 70 70 GLU HA H 70 4.290 4.564 -0.274 2
1 799 . 1 1 A 70 70 GLU C C 70 175.254 175.416 -0.162 2
1 800 . 1 1 A 70 70 GLU CA C 70 56.490 55.925 0.565 2
1 801 . 1 1 A 70 70 GLU CB C 70 30.636 31.273 -0.637 2
1 803 . 1 1 A 70 70 GLU N N 70 122.138 122.373 -0.235 2
1 804 . 1 1 A 71 71 ASN H H 71 8.095 8.611 -0.516 2
1 805 . 1 1 A 71 71 ASN HA H 71 4.462 4.949 -0.487 2
1 810 . 1 1 A 71 71 ASN C C 71 179.333 174.929 4.404 2
1 811 . 1 1 A 71 71 ASN CA C 71 55.009 53.089 1.920 2
1 812 . 1 1 A 71 71 ASN CB C 71 41.051 39.939 1.112 2
1 813 . 1 1 A 71 71 ASN N N 71 124.912 122.254 2.658 2
1 815 . 1 1 A 72 72 GLY HA2 H 72 3.944 4.113 -0.169 2
1 816 . 1 1 A 72 72 GLY HA3 H 72 3.872 4.116 -0.244 2
1 817 . 1 1 A 72 72 GLY C C 72 175.060 173.845 1.215 2
1 818 . 1 1 A 72 72 GLY CA C 72 45.579 45.242 0.337 2
1 819 . 1 1 A 73 73 GLY H H 73 8.416 8.351 0.064 2
1 820 . 1 1 A 73 73 GLY HA2 H 73 3.947 4.086 -0.139 2
1 821 . 1 1 A 73 73 GLY HA3 H 73 3.947 4.089 -0.142 2
1 822 . 1 1 A 73 73 GLY C C 73 174.356 173.504 0.852 2
1 823 . 1 1 A 73 73 GLY CA C 73 45.280 45.591 -0.311 2
1 824 . 1 1 A 73 73 GLY N N 73 108.960 108.960 0.000 2
1 825 . 1 1 A 74 74 VAL H H 74 8.059 8.321 -0.262 2
1 826 . 1 1 A 74 74 VAL HA H 74 4.181 4.285 -0.104 2
1 834 . 1 1 A 74 74 VAL C C 74 176.419 175.600 0.819 2
1 835 . 1 1 A 74 74 VAL CA C 74 62.309 62.234 0.075 2
1 836 . 1 1 A 74 74 VAL CB C 74 32.843 32.495 0.348 2
1 839 . 1 1 A 74 74 VAL N N 74 118.980 121.968 -2.988 2
1 840 . 1 1 A 75 75 SER H H 75 8.430 8.500 -0.070 2
1 841 . 1 1 A 75 75 SER HA H 75 4.493 4.637 -0.144 2
1 844 . 1 1 A 75 75 SER C C 75 174.525 174.044 0.481 2
1 845 . 1 1 A 75 75 SER CA C 75 58.349 58.404 -0.055 2
1 846 . 1 1 A 75 75 SER CB C 75 63.880 64.383 -0.503 2
1 847 . 1 1 A 75 75 SER N N 75 119.288 120.612 -1.324 2
1 848 . 1 1 A 76 76 GLY H H 76 8.206 8.262 -0.056 2
1 849 . 1 1 A 76 76 GLY C C 76 171.757 173.157 -1.400 2
1 850 . 1 1 A 76 76 GLY CA C 76 44.642 45.153 -0.511 2
1 851 . 1 1 A 76 76 GLY N N 76 110.769 110.565 0.204 2
1 852 . 1 1 A 79 79 SER HA H 79 4.474 4.741 -0.267 2
1 855 . 1 1 A 79 79 SER C C 79 173.918 174.322 -0.404 2
1 856 . 1 1 A 79 79 SER CA C 79 58.430 58.146 0.284 2
1 857 . 1 1 A 79 79 SER CB C 79 64.045 64.867 -0.822 2
stop_
save_