data_10252_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10252
_Entry.PDB_ID 2CO9
_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 12 12 LYS HA H 12 4.317 4.096 0.221 1
1 6 . 1 1 1 A 12 12 LYS C C 12 176.329 177.057 -0.728 1
1 7 . 1 1 1 A 12 12 LYS CA C 12 56.223 57.364 -1.141 1
1 8 . 1 1 1 A 12 12 LYS CB C 12 33.117 32.540 0.577 1
1 12 . 1 1 1 A 13 13 LYS H H 13 8.394 8.115 0.279 1
1 13 . 1 1 1 A 13 13 LYS HA H 13 4.273 4.142 0.131 1
1 18 . 1 1 1 A 13 13 LYS C C 13 175.990 175.742 0.248 1
1 19 . 1 1 1 A 13 13 LYS CA C 13 56.222 57.799 -1.577 1
1 20 . 1 1 1 A 13 13 LYS CB C 13 33.223 33.251 -0.028 1
1 24 . 1 1 1 A 13 13 LYS N N 13 123.900 125.145 -1.245 1
1 25 . 1 1 1 A 14 14 ASP H H 14 8.625 8.762 -0.137 1
1 26 . 1 1 1 A 14 14 ASP HA H 14 4.902 5.195 -0.293 1
1 29 . 1 1 1 A 14 14 ASP CA C 14 51.958 50.878 1.080 1
1 30 . 1 1 1 A 14 14 ASP CB C 14 41.422 43.168 -1.746 1
1 31 . 1 1 1 A 14 14 ASP N N 14 124.861 124.081 0.780 1
1 32 . 1 1 1 A 15 15 PRO HA H 15 4.442 4.583 -0.141 1
1 39 . 1 1 1 A 15 15 PRO C C 15 176.634 176.091 0.543 1
1 40 . 1 1 1 A 15 15 PRO CA C 15 63.606 62.272 1.334 1
1 41 . 1 1 1 A 15 15 PRO CB C 15 32.323 32.783 -0.460 1
1 44 . 1 1 1 A 16 16 ASN H H 16 8.414 8.443 -0.029 1
1 45 . 1 1 1 A 16 16 ASN HA H 16 4.683 5.043 -0.360 1
1 50 . 1 1 1 A 16 16 ASN C C 16 174.365 174.106 0.259 1
1 51 . 1 1 1 A 16 16 ASN CA C 16 52.946 52.097 0.849 1
1 52 . 1 1 1 A 16 16 ASN CB C 16 39.266 40.019 -0.753 1
1 53 . 1 1 1 A 16 16 ASN N N 16 116.873 118.868 -1.995 1
1 55 . 1 1 1 A 17 17 GLU H H 17 7.712 8.396 -0.684 1
1 56 . 1 1 1 A 17 17 GLU HA H 17 3.233 2.920 0.313 1
1 61 . 1 1 1 A 17 17 GLU C C 17 174.415 174.855 -0.440 1
1 62 . 1 1 1 A 17 17 GLU CA C 17 54.423 56.567 -2.144 1
1 63 . 1 1 1 A 17 17 GLU CB C 17 29.911 28.489 1.422 1
1 65 . 1 1 1 A 17 17 GLU N N 17 122.673 119.939 2.734 1
1 66 . 1 1 1 A 18 18 PRO HA H 18 4.384 4.557 -0.173 1
1 73 . 1 1 1 A 18 18 PRO CA C 18 62.896 62.751 0.145 1
1 74 . 1 1 1 A 18 18 PRO CB C 18 31.963 32.564 -0.601 1
1 77 . 1 1 1 A 19 19 GLN H H 19 8.654 8.391 0.263 1
1 78 . 1 1 1 A 19 19 GLN HA H 19 4.293 4.537 -0.244 1
1 85 . 1 1 1 A 19 19 GLN C C 19 175.384 174.638 0.746 1
1 86 . 1 1 1 A 19 19 GLN CA C 19 55.057 54.626 0.431 1
1 87 . 1 1 1 A 19 19 GLN CB C 19 29.793 31.748 -1.955 1
1 89 . 1 1 1 A 19 19 GLN N N 19 122.106 119.848 2.258 1
1 91 . 1 1 1 A 20 20 LYS H H 20 8.383 7.980 0.403 1
1 92 . 1 1 1 A 20 20 LYS HA H 20 3.393 2.776 0.617 1
1 101 . 1 1 1 A 20 20 LYS C C 20 174.706 174.853 -0.147 1
1 102 . 1 1 1 A 20 20 LYS CA C 20 54.951 53.880 1.071 1
1 103 . 1 1 1 A 20 20 LYS CB C 20 31.802 32.764 -0.962 1
1 107 . 1 1 1 A 20 20 LYS N N 20 124.861 123.535 1.326 1
1 108 . 1 1 1 A 21 21 PRO HA H 21 4.500 4.421 0.079 1
1 115 . 1 1 1 A 21 21 PRO C C 21 176.741 176.584 0.157 1
1 116 . 1 1 1 A 21 21 PRO CA C 21 62.396 62.650 -0.254 1
1 117 . 1 1 1 A 21 21 PRO CB C 21 32.392 31.795 0.597 1
1 120 . 1 1 1 A 22 22 VAL H H 22 7.850 8.143 -0.293 1
1 121 . 1 1 1 A 22 22 VAL HA H 22 4.303 4.265 0.038 1
1 129 . 1 1 1 A 22 22 VAL C C 22 175.615 175.477 0.138 1
1 130 . 1 1 1 A 22 22 VAL CA C 22 60.967 60.810 0.157 1
1 131 . 1 1 1 A 22 22 VAL CB C 22 32.342 32.969 -0.627 1
1 134 . 1 1 1 A 22 22 VAL N N 22 115.924 118.158 -2.234 1
1 135 . 1 1 1 A 23 23 SER H H 23 8.125 8.500 -0.375 1
1 136 . 1 1 1 A 23 23 SER HA H 23 4.433 4.514 -0.081 1
1 139 . 1 1 1 A 23 23 SER C C 23 173.516 175.526 -2.010 1
1 140 . 1 1 1 A 23 23 SER CA C 23 57.590 58.631 -1.041 1
1 141 . 1 1 1 A 23 23 SER CB C 23 65.578 64.444 1.134 1
1 142 . 1 1 1 A 23 23 SER N N 23 116.922 118.247 -1.325 1
1 143 . 1 1 1 A 24 24 ALA H H 24 8.707 8.906 -0.199 1
1 144 . 1 1 1 A 24 24 ALA HA H 24 4.046 4.101 -0.055 1
1 148 . 1 1 1 A 24 24 ALA C C 24 178.727 179.217 -0.490 1
1 149 . 1 1 1 A 24 24 ALA CA C 24 55.971 55.112 0.859 1
1 150 . 1 1 1 A 24 24 ALA CB C 24 18.505 18.766 -0.261 1
1 151 . 1 1 1 A 24 24 ALA N N 24 123.025 126.164 -3.139 1
1 152 . 1 1 1 A 25 25 TYR H H 25 8.119 8.155 -0.036 1
1 153 . 1 1 1 A 25 25 TYR HA H 25 2.678 2.050 0.628 1
1 160 . 1 1 1 A 25 25 TYR C C 25 176.253 177.508 -1.255 1
1 161 . 1 1 1 A 25 25 TYR CA C 25 60.281 60.768 -0.487 1
1 162 . 1 1 1 A 25 25 TYR CB C 25 37.951 37.940 0.011 1
1 167 . 1 1 1 A 25 25 TYR N N 25 115.954 119.135 -3.181 1
1 168 . 1 1 1 A 26 26 ALA H H 26 7.742 7.908 -0.166 1
1 169 . 1 1 1 A 26 26 ALA HA H 26 3.758 3.560 0.198 1
1 173 . 1 1 1 A 26 26 ALA C C 26 181.489 179.411 2.078 1
1 174 . 1 1 1 A 26 26 ALA CA C 26 54.859 54.748 0.111 1
1 175 . 1 1 1 A 26 26 ALA CB C 26 18.029 17.991 0.038 1
1 176 . 1 1 1 A 26 26 ALA N N 26 121.384 121.274 0.110 1
1 177 . 1 1 1 A 27 27 LEU H H 27 7.991 8.323 -0.332 1
1 178 . 1 1 1 A 27 27 LEU HA H 27 4.023 3.998 0.025 1
1 188 . 1 1 1 A 27 27 LEU C C 27 178.625 177.797 0.828 1
1 189 . 1 1 1 A 27 27 LEU CA C 27 57.876 57.736 0.140 1
1 190 . 1 1 1 A 27 27 LEU CB C 27 42.103 41.599 0.504 1
1 194 . 1 1 1 A 27 27 LEU N N 27 120.626 118.775 1.851 1
1 195 . 1 1 1 A 28 28 PHE H H 28 7.706 7.400 0.306 1
1 196 . 1 1 1 A 28 28 PHE HA H 28 3.653 4.034 -0.381 1
1 204 . 1 1 1 A 28 28 PHE C C 28 178.640 177.317 1.323 1
1 205 . 1 1 1 A 28 28 PHE CA C 28 61.653 59.328 2.325 1
1 206 . 1 1 1 A 28 28 PHE CB C 28 39.060 39.550 -0.490 1
1 212 . 1 1 1 A 28 28 PHE N N 28 122.656 119.233 3.423 1
1 213 . 1 1 1 A 29 29 PHE H H 29 9.246 8.302 0.944 1
1 214 . 1 1 1 A 29 29 PHE HA H 29 3.483 3.920 -0.437 1
1 222 . 1 1 1 A 29 29 PHE C C 29 177.478 177.641 -0.163 1
1 223 . 1 1 1 A 29 29 PHE CA C 29 61.126 61.097 0.029 1
1 224 . 1 1 1 A 29 29 PHE CB C 29 38.837 38.793 0.044 1
1 230 . 1 1 1 A 29 29 PHE N N 29 123.986 119.551 4.435 1
1 231 . 1 1 1 A 30 30 ARG H H 30 8.044 8.149 -0.105 1
1 232 . 1 1 1 A 30 30 ARG HA H 30 4.046 4.176 -0.130 1
1 239 . 1 1 1 A 30 30 ARG C C 30 179.156 177.175 1.981 1
1 240 . 1 1 1 A 30 30 ARG CA C 30 59.542 57.811 1.731 1
1 241 . 1 1 1 A 30 30 ARG CB C 30 30.053 28.883 1.170 1
1 244 . 1 1 1 A 30 30 ARG N N 30 119.141 118.202 0.939 1
1 245 . 1 1 1 A 31 31 ASP H H 31 7.712 7.944 -0.232 1
1 246 . 1 1 1 A 31 31 ASP HA H 31 4.523 4.691 -0.168 1
1 249 . 1 1 1 A 31 31 ASP C C 31 177.850 178.306 -0.456 1
1 250 . 1 1 1 A 31 31 ASP CA C 31 56.516 55.923 0.593 1
1 251 . 1 1 1 A 31 31 ASP CB C 31 40.664 41.381 -0.717 1
1 252 . 1 1 1 A 31 31 ASP N N 31 118.527 119.061 -0.534 1
1 253 . 1 1 1 A 32 32 THR H H 32 7.704 7.166 0.538 1
1 254 . 1 1 1 A 32 32 THR HA H 32 3.953 3.803 0.150 1
1 259 . 1 1 1 A 32 32 THR C C 32 175.637 175.653 -0.016 1
1 260 . 1 1 1 A 32 32 THR CA C 32 65.030 66.226 -1.196 1
1 261 . 1 1 1 A 32 32 THR CB C 32 69.195 68.639 0.556 1
1 263 . 1 1 1 A 32 32 THR N N 32 115.935 116.704 -0.769 1
1 264 . 1 1 1 A 33 33 GLN H H 33 8.361 7.915 0.446 1
1 265 . 1 1 1 A 33 33 GLN HA H 33 3.373 3.667 -0.294 1
1 272 . 1 1 1 A 33 33 GLN C C 33 176.526 177.932 -1.406 1
1 273 . 1 1 1 A 33 33 GLN CA C 33 60.000 58.864 1.136 1
1 274 . 1 1 1 A 33 33 GLN CB C 33 26.827 28.291 -1.464 1
1 276 . 1 1 1 A 33 33 GLN N N 33 120.539 119.539 1.000 1
1 278 . 1 1 1 A 34 34 ALA H H 34 8.053 8.012 0.041 1
1 279 . 1 1 1 A 34 34 ALA HA H 34 3.964 3.996 -0.032 1
1 283 . 1 1 1 A 34 34 ALA C C 34 180.762 179.910 0.852 1
1 284 . 1 1 1 A 34 34 ALA CA C 34 55.338 54.952 0.386 1
1 285 . 1 1 1 A 34 34 ALA CB C 34 17.724 18.363 -0.639 1
1 286 . 1 1 1 A 34 34 ALA N N 34 120.505 120.435 0.070 1
1 287 . 1 1 1 A 35 35 ALA H H 35 7.763 7.999 -0.236 1
1 288 . 1 1 1 A 35 35 ALA HA H 35 4.135 4.045 0.090 1
1 292 . 1 1 1 A 35 35 ALA C C 35 180.801 180.005 0.796 1
1 293 . 1 1 1 A 35 35 ALA CA C 35 54.635 54.753 -0.118 1
1 294 . 1 1 1 A 35 35 ALA CB C 35 17.888 18.337 -0.449 1
1 295 . 1 1 1 A 35 35 ALA N N 35 122.109 120.681 1.428 1
1 296 . 1 1 1 A 36 36 ILE H H 36 7.673 7.866 -0.193 1
1 297 . 1 1 1 A 36 36 ILE HA H 36 3.753 3.696 0.057 1
1 307 . 1 1 1 A 36 36 ILE C C 36 179.213 177.777 1.436 1
1 308 . 1 1 1 A 36 36 ILE CA C 36 62.955 64.694 -1.739 1
1 309 . 1 1 1 A 36 36 ILE CB C 36 36.388 37.696 -1.308 1
1 313 . 1 1 1 A 36 36 ILE N N 36 118.252 118.712 -0.460 1
1 314 . 1 1 1 A 37 37 LYS H H 37 8.444 8.448 -0.004 1
1 315 . 1 1 1 A 37 37 LYS HA H 37 3.982 3.868 0.114 1
1 324 . 1 1 1 A 37 37 LYS C C 37 178.872 179.208 -0.336 1
1 325 . 1 1 1 A 37 37 LYS CA C 37 58.715 59.901 -1.186 1
1 326 . 1 1 1 A 37 37 LYS CB C 37 31.802 32.000 -0.198 1
1 330 . 1 1 1 A 37 37 LYS N N 37 121.415 119.870 1.545 1
1 331 . 1 1 1 A 38 38 GLY H H 38 7.873 8.218 -0.345 1
1 332 . 1 1 1 A 38 38 GLY HA2 H 38 3.849 3.790 0.059 1
1 333 . 1 1 1 A 38 38 GLY HA3 H 38 3.849 3.790 0.059 1
1 334 . 1 1 1 A 38 38 GLY C C 38 175.341 176.216 -0.875 1
1 335 . 1 1 1 A 38 38 GLY CA C 38 46.490 47.428 -0.938 1
1 336 . 1 1 1 A 38 38 GLY N N 38 104.723 107.044 -2.321 1
1 337 . 1 1 1 A 39 39 GLN H H 39 7.288 7.866 -0.578 1
1 338 . 1 1 1 A 39 39 GLN HA H 39 4.313 4.197 0.116 1
1 345 . 1 1 1 A 39 39 GLN C C 39 175.814 175.998 -0.184 1
1 346 . 1 1 1 A 39 39 GLN CA C 39 56.482 57.451 -0.969 1
1 347 . 1 1 1 A 39 39 GLN CB C 39 30.074 29.301 0.773 1
1 349 . 1 1 1 A 39 39 GLN N N 39 117.295 119.901 -2.606 1
1 351 . 1 1 1 A 40 40 ASN H H 40 7.780 8.060 -0.280 1
1 352 . 1 1 1 A 40 40 ASN HA H 40 5.159 5.187 -0.028 1
1 357 . 1 1 1 A 40 40 ASN C C 40 172.428 173.392 -0.964 1
1 358 . 1 1 1 A 40 40 ASN CA C 40 50.877 50.367 0.510 1
1 359 . 1 1 1 A 40 40 ASN CB C 40 39.595 38.795 0.800 1
1 360 . 1 1 1 A 40 40 ASN N N 40 115.989 117.346 -1.357 1
1 362 . 1 1 1 A 41 41 PRO HA H 41 4.523 4.360 0.163 1
1 369 . 1 1 1 A 41 41 PRO C C 41 177.550 177.373 0.177 1
1 370 . 1 1 1 A 41 41 PRO CA C 41 64.837 63.966 0.871 1
1 371 . 1 1 1 A 41 41 PRO CB C 41 32.073 31.646 0.427 1
1 374 . 1 1 1 A 42 42 ASN H H 42 8.363 8.346 0.017 1
1 375 . 1 1 1 A 42 42 ASN HA H 42 4.853 4.661 0.192 1
1 380 . 1 1 1 A 42 42 ASN C C 42 175.387 175.541 -0.154 1
1 381 . 1 1 1 A 42 42 ASN CA C 42 52.753 53.790 -1.037 1
1 382 . 1 1 1 A 42 42 ASN CB C 42 38.879 39.492 -0.613 1
1 383 . 1 1 1 A 42 42 ASN N N 42 114.677 115.860 -1.183 1
1 385 . 1 1 1 A 43 43 ALA H H 43 7.533 7.279 0.254 1
1 386 . 1 1 1 A 43 43 ALA HA H 43 4.443 4.352 0.091 1
1 390 . 1 1 1 A 43 43 ALA C C 43 178.490 176.730 1.760 1
1 391 . 1 1 1 A 43 43 ALA CA C 43 52.647 51.874 0.773 1
1 392 . 1 1 1 A 43 43 ALA CB C 43 19.314 19.944 -0.630 1
1 393 . 1 1 1 A 43 43 ALA N N 43 124.307 121.619 2.688 1
1 394 . 1 1 1 A 44 44 THR H H 44 8.698 8.602 0.096 1
1 395 . 1 1 1 A 44 44 THR HA H 44 4.482 4.469 0.013 1
1 400 . 1 1 1 A 44 44 THR C C 44 175.408 175.689 -0.281 1
1 401 . 1 1 1 A 44 44 THR CA C 44 60.791 60.858 -0.067 1
1 402 . 1 1 1 A 44 44 THR CB C 44 71.516 70.108 1.408 1
1 404 . 1 1 1 A 44 44 THR N N 44 114.309 116.253 -1.944 1
1 405 . 1 1 1 A 45 45 PHE HA H 45 4.303 4.160 0.143 1
1 410 . 1 1 1 A 45 45 PHE CA C 45 61.982 60.747 1.235 1
1 411 . 1 1 1 A 45 45 PHE CB C 45 38.942 38.596 0.346 1
1 414 . 1 1 1 A 46 46 GLY HA2 H 46 3.962 3.712 0.250 1
1 415 . 1 1 1 A 46 46 GLY HA3 H 46 3.745 3.737 0.008 1
1 416 . 1 1 1 A 46 46 GLY C C 46 176.621 176.269 0.352 1
1 417 . 1 1 1 A 46 46 GLY CA C 46 46.930 47.289 -0.359 1
1 418 . 1 1 1 A 47 47 GLU H H 47 7.692 8.228 -0.536 1
1 419 . 1 1 1 A 47 47 GLU HA H 47 4.053 4.124 -0.071 1
1 424 . 1 1 1 A 47 47 GLU C C 47 179.472 178.941 0.531 1
1 425 . 1 1 1 A 47 47 GLU CA C 47 59.296 59.274 0.022 1
1 426 . 1 1 1 A 47 47 GLU CB C 47 29.769 29.455 0.314 1
1 428 . 1 1 1 A 47 47 GLU N N 47 123.040 121.728 1.312 1
1 429 . 1 1 1 A 48 48 VAL H H 48 8.504 8.003 0.501 1
1 430 . 1 1 1 A 48 48 VAL HA H 48 3.413 3.661 -0.248 1
1 438 . 1 1 1 A 48 48 VAL C C 48 177.640 178.245 -0.605 1
1 439 . 1 1 1 A 48 48 VAL CA C 48 67.159 66.499 0.660 1
1 440 . 1 1 1 A 48 48 VAL CB C 48 31.820 31.641 0.179 1
1 443 . 1 1 1 A 48 48 VAL N N 48 120.194 120.817 -0.623 1
1 444 . 1 1 1 A 49 49 SER H H 49 8.442 8.168 0.274 1
1 445 . 1 1 1 A 49 49 SER HA H 49 4.093 4.448 -0.355 1
1 448 . 1 1 1 A 49 49 SER C C 49 176.016 176.729 -0.713 1
1 449 . 1 1 1 A 49 49 SER CA C 49 62.500 61.779 0.721 1
1 450 . 1 1 1 A 49 49 SER CB C 49 62.653 63.366 -0.713 1
1 451 . 1 1 1 A 49 49 SER N N 49 113.484 114.774 -1.290 1
1 452 . 1 1 1 A 50 50 LYS H H 50 7.474 8.076 -0.602 1
1 453 . 1 1 1 A 50 50 LYS HA H 50 4.132 4.110 0.022 1
1 462 . 1 1 1 A 50 50 LYS C C 50 179.463 178.693 0.770 1
1 463 . 1 1 1 A 50 50 LYS CA C 50 59.525 59.125 0.400 1
1 464 . 1 1 1 A 50 50 LYS CB C 50 32.606 32.313 0.293 1
1 468 . 1 1 1 A 50 50 LYS N N 50 120.865 121.490 -0.625 1
1 469 . 1 1 1 A 51 51 ILE H H 51 7.853 7.636 0.217 1
1 470 . 1 1 1 A 51 51 ILE HA H 51 3.793 3.889 -0.096 1
1 480 . 1 1 1 A 51 51 ILE C C 51 179.105 178.329 0.776 1
1 481 . 1 1 1 A 51 51 ILE CA C 51 65.488 64.429 1.059 1
1 482 . 1 1 1 A 51 51 ILE CB C 51 38.603 38.034 0.569 1
1 486 . 1 1 1 A 51 51 ILE N N 51 121.720 119.526 2.194 1
1 487 . 1 1 1 A 52 52 VAL H H 52 8.703 8.142 0.561 1
1 488 . 1 1 1 A 52 52 VAL HA H 52 3.659 3.675 -0.016 1
1 496 . 1 1 1 A 52 52 VAL C C 52 178.262 178.080 0.182 1
1 497 . 1 1 1 A 52 52 VAL CA C 52 67.388 66.904 0.484 1
1 498 . 1 1 1 A 52 52 VAL CB C 52 31.185 31.590 -0.405 1
1 501 . 1 1 1 A 52 52 VAL N N 52 121.006 120.439 0.567 1
1 502 . 1 1 1 A 53 53 ALA H H 53 8.343 8.570 -0.227 1
1 503 . 1 1 1 A 53 53 ALA HA H 53 4.412 4.248 0.164 1
1 507 . 1 1 1 A 53 53 ALA C C 53 180.884 179.931 0.953 1
1 508 . 1 1 1 A 53 53 ALA CA C 53 56.271 55.525 0.746 1
1 509 . 1 1 1 A 53 53 ALA CB C 53 17.888 18.496 -0.608 1
1 510 . 1 1 1 A 53 53 ALA N N 53 122.645 122.082 0.563 1
1 511 . 1 1 1 A 54 54 SER H H 54 7.905 8.128 -0.223 1
1 512 . 1 1 1 A 54 54 SER HA H 54 4.415 4.256 0.159 1
1 515 . 1 1 1 A 54 54 SER C C 54 177.818 176.995 0.823 1
1 516 . 1 1 1 A 54 54 SER CA C 54 61.635 61.786 -0.151 1
1 517 . 1 1 1 A 54 54 SER CB C 54 62.947 63.411 -0.464 1
1 518 . 1 1 1 A 54 54 SER N N 54 114.062 114.460 -0.398 1
1 519 . 1 1 1 A 55 55 MET H H 55 8.553 8.837 -0.284 1
1 520 . 1 1 1 A 55 55 MET HA H 55 4.194 4.177 0.017 1
1 528 . 1 1 1 A 55 55 MET C C 55 179.156 178.424 0.732 1
1 529 . 1 1 1 A 55 55 MET CA C 55 59.190 58.652 0.538 1
1 530 . 1 1 1 A 55 55 MET CB C 55 33.551 33.788 -0.237 1
1 533 . 1 1 1 A 55 55 MET N N 55 123.394 120.182 3.212 1
1 534 . 1 1 1 A 56 56 TRP H H 56 8.864 8.629 0.235 1
1 535 . 1 1 1 A 56 56 TRP HA H 56 3.899 3.772 0.127 1
1 544 . 1 1 1 A 56 56 TRP C C 56 178.213 178.184 0.029 1
1 545 . 1 1 1 A 56 56 TRP CA C 56 59.806 60.961 -1.155 1
1 546 . 1 1 1 A 56 56 TRP CB C 56 30.281 29.511 0.770 1
1 552 . 1 1 1 A 56 56 TRP N N 56 121.428 122.619 -1.191 1
1 554 . 1 1 1 A 57 57 ASP H H 57 8.061 8.414 -0.353 1
1 555 . 1 1 1 A 57 57 ASP HA H 57 4.253 4.332 -0.079 1
1 558 . 1 1 1 A 57 57 ASP C C 57 178.103 177.263 0.840 1
1 559 . 1 1 1 A 57 57 ASP CA C 57 57.186 56.608 0.578 1
1 560 . 1 1 1 A 57 57 ASP CB C 57 40.705 40.293 0.412 1
1 561 . 1 1 1 A 57 57 ASP N N 57 117.661 118.547 -0.886 1
1 562 . 1 1 1 A 58 58 GLY H H 58 7.481 7.937 -0.456 1
1 563 . 1 1 1 A 58 58 GLY HA2 H 58 4.202 3.983 0.219 1
1 564 . 1 1 1 A 58 58 GLY HA3 H 58 3.672 4.020 -0.348 1
1 565 . 1 1 1 A 58 58 GLY C C 58 174.062 173.205 0.857 1
1 566 . 1 1 1 A 58 58 GLY CA C 58 44.872 45.488 -0.616 1
1 567 . 1 1 1 A 58 58 GLY N N 58 103.794 106.831 -3.037 1
1 568 . 1 1 1 A 59 59 LEU H H 59 7.153 6.955 0.198 1
1 569 . 1 1 1 A 59 59 LEU HA H 59 4.123 4.350 -0.227 1
1 579 . 1 1 1 A 59 59 LEU C C 59 177.880 177.399 0.481 1
1 580 . 1 1 1 A 59 59 LEU CA C 59 55.114 53.813 1.301 1
1 581 . 1 1 1 A 59 59 LEU CB C 59 43.149 42.773 0.376 1
1 585 . 1 1 1 A 59 59 LEU N N 59 123.874 121.129 2.745 1
1 586 . 1 1 1 A 60 60 GLY H H 60 8.523 7.755 0.768 1
1 587 . 1 1 1 A 60 60 GLY HA2 H 60 4.091 4.022 0.069 1
1 588 . 1 1 1 A 60 60 GLY HA3 H 60 3.993 4.037 -0.044 1
1 589 . 1 1 1 A 60 60 GLY C C 60 174.634 175.048 -0.414 1
1 590 . 1 1 1 A 60 60 GLY CA C 60 44.995 45.372 -0.377 1
1 591 . 1 1 1 A 60 60 GLY N N 60 110.475 108.970 1.505 1
1 592 . 1 1 1 A 61 61 GLU H H 61 8.743 8.806 -0.063 1
1 593 . 1 1 1 A 61 61 GLU HA H 61 3.873 3.857 0.016 1
1 598 . 1 1 1 A 61 61 GLU C C 61 178.841 178.224 0.617 1
1 599 . 1 1 1 A 61 61 GLU CA C 61 59.577 59.331 0.246 1
1 600 . 1 1 1 A 61 61 GLU CB C 61 29.299 29.395 -0.096 1
1 602 . 1 1 1 A 61 61 GLU N N 61 122.609 121.489 1.120 1
1 603 . 1 1 1 A 62 62 GLU H H 62 9.063 7.978 1.085 1
1 604 . 1 1 1 A 62 62 GLU HA H 62 4.033 4.061 -0.028 1
1 609 . 1 1 1 A 62 62 GLU C C 62 179.086 178.825 0.261 1
1 610 . 1 1 1 A 62 62 GLU CA C 62 59.841 58.991 0.850 1
1 611 . 1 1 1 A 62 62 GLU CB C 62 28.660 28.938 -0.278 1
1 613 . 1 1 1 A 62 62 GLU N N 62 118.089 119.812 -1.723 1
1 614 . 1 1 1 A 63 63 GLN H H 63 7.563 7.834 -0.271 1
1 615 . 1 1 1 A 63 63 GLN HA H 63 4.282 4.084 0.198 1
1 622 . 1 1 1 A 63 63 GLN C C 63 179.406 178.987 0.419 1
1 623 . 1 1 1 A 63 63 GLN CA C 63 59.050 58.287 0.763 1
1 624 . 1 1 1 A 63 63 GLN CB C 63 29.089 28.462 0.627 1
1 626 . 1 1 1 A 63 63 GLN N N 63 118.216 118.617 -0.401 1
1 628 . 1 1 1 A 64 64 LYS H H 64 8.193 7.907 0.286 1
1 629 . 1 1 1 A 64 64 LYS HA H 64 3.933 4.060 -0.127 1
1 638 . 1 1 1 A 64 64 LYS C C 64 179.858 179.272 0.586 1
1 639 . 1 1 1 A 64 64 LYS CA C 64 60.774 59.202 1.572 1
1 640 . 1 1 1 A 64 64 LYS CB C 64 33.100 32.274 0.826 1
1 644 . 1 1 1 A 64 64 LYS N N 64 119.928 120.427 -0.499 1
1 645 . 1 1 1 A 65 65 GLN H H 65 8.459 8.132 0.327 1
1 646 . 1 1 1 A 65 65 GLN HA H 65 4.056 4.152 -0.096 1
1 653 . 1 1 1 A 65 65 GLN C C 65 177.751 178.272 -0.521 1
1 654 . 1 1 1 A 65 65 GLN CA C 65 58.891 58.608 0.283 1
1 655 . 1 1 1 A 65 65 GLN CB C 65 28.167 28.547 -0.380 1
1 657 . 1 1 1 A 65 65 GLN N N 65 117.874 118.146 -0.272 1
1 659 . 1 1 1 A 66 66 VAL H H 66 7.408 7.785 -0.377 1
1 660 . 1 1 1 A 66 66 VAL HA H 66 3.653 3.693 -0.040 1
1 668 . 1 1 1 A 66 66 VAL C C 66 178.900 177.572 1.328 1
1 669 . 1 1 1 A 66 66 VAL CA C 66 66.860 65.241 1.619 1
1 670 . 1 1 1 A 66 66 VAL CB C 66 31.784 30.934 0.850 1
1 673 . 1 1 1 A 66 66 VAL N N 66 119.348 120.160 -0.812 1
1 674 . 1 1 1 A 67 67 TYR H H 67 7.229 7.603 -0.374 1
1 675 . 1 1 1 A 67 67 TYR HA H 67 4.151 4.376 -0.225 1
1 682 . 1 1 1 A 67 67 TYR C C 67 178.776 178.663 0.113 1
1 683 . 1 1 1 A 67 67 TYR CA C 67 63.307 61.090 2.217 1
1 684 . 1 1 1 A 67 67 TYR CB C 67 39.308 38.318 0.990 1
1 689 . 1 1 1 A 67 67 TYR N N 67 117.638 121.004 -3.366 1
1 690 . 1 1 1 A 68 68 LYS H H 68 8.554 7.972 0.582 1
1 691 . 1 1 1 A 68 68 LYS HA H 68 4.195 4.411 -0.216 1
1 698 . 1 1 1 A 68 68 LYS C C 68 179.468 179.507 -0.039 1
1 699 . 1 1 1 A 68 68 LYS CA C 68 60.703 59.116 1.587 1
1 700 . 1 1 1 A 68 68 LYS CB C 68 32.154 32.580 -0.426 1
1 704 . 1 1 1 A 68 68 LYS N N 68 121.795 120.587 1.208 1
1 705 . 1 1 1 A 69 69 LYS H H 69 8.883 7.878 1.005 1
1 706 . 1 1 1 A 69 69 LYS HA H 69 4.171 4.120 0.051 1
1 715 . 1 1 1 A 69 69 LYS C C 69 180.214 179.003 1.211 1
1 716 . 1 1 1 A 69 69 LYS CA C 69 59.824 59.384 0.440 1
1 717 . 1 1 1 A 69 69 LYS CB C 69 32.072 31.937 0.135 1
1 721 . 1 1 1 A 69 69 LYS N N 69 120.539 120.093 0.446 1
1 722 . 1 1 1 A 70 70 LYS H H 70 7.791 7.775 0.016 1
1 723 . 1 1 1 A 70 70 LYS HA H 70 4.211 4.201 0.010 1
1 732 . 1 1 1 A 70 70 LYS C C 70 179.985 179.133 0.852 1
1 733 . 1 1 1 A 70 70 LYS CA C 70 60.017 58.968 1.049 1
1 734 . 1 1 1 A 70 70 LYS CB C 70 33.200 32.334 0.866 1
1 738 . 1 1 1 A 70 70 LYS N N 70 119.946 119.082 0.864 1
1 739 . 1 1 1 A 71 71 THR H H 71 8.002 7.755 0.247 1
1 740 . 1 1 1 A 71 71 THR HA H 71 4.301 3.821 0.480 1
1 745 . 1 1 1 A 71 71 THR C C 71 176.462 176.665 -0.203 1
1 746 . 1 1 1 A 71 71 THR CA C 71 66.402 67.061 -0.659 1
1 747 . 1 1 1 A 71 71 THR CB C 71 68.949 68.512 0.437 1
1 749 . 1 1 1 A 71 71 THR N N 71 116.183 117.483 -1.300 1
1 750 . 1 1 1 A 72 72 GLU H H 72 8.295 8.186 0.109 1
1 751 . 1 1 1 A 72 72 GLU HA H 72 4.143 4.100 0.043 1
1 756 . 1 1 1 A 72 72 GLU C C 72 179.498 178.379 1.119 1
1 757 . 1 1 1 A 72 72 GLU CA C 72 59.665 58.968 0.697 1
1 758 . 1 1 1 A 72 72 GLU CB C 72 29.400 29.151 0.249 1
1 760 . 1 1 1 A 72 72 GLU N N 72 123.438 119.652 3.786 1
1 761 . 1 1 1 A 73 73 ALA H H 73 8.063 8.161 -0.098 1
1 762 . 1 1 1 A 73 73 ALA HA H 73 4.262 4.190 0.072 1
1 766 . 1 1 1 A 73 73 ALA C C 73 180.639 179.626 1.013 1
1 767 . 1 1 1 A 73 73 ALA CA C 73 55.268 54.728 0.540 1
1 768 . 1 1 1 A 73 73 ALA CB C 73 17.824 18.531 -0.707 1
1 769 . 1 1 1 A 73 73 ALA N N 73 122.231 121.703 0.528 1
1 770 . 1 1 1 A 74 74 ALA H H 74 8.093 8.047 0.046 1
1 771 . 1 1 1 A 74 74 ALA HA H 74 4.320 4.116 0.204 1
1 775 . 1 1 1 A 74 74 ALA C C 74 181.394 179.525 1.869 1
1 776 . 1 1 1 A 74 74 ALA CA C 74 54.904 55.229 -0.325 1
1 777 . 1 1 1 A 74 74 ALA CB C 74 18.313 18.676 -0.363 1
1 778 . 1 1 1 A 74 74 ALA N N 74 121.882 120.380 1.502 1
1 779 . 1 1 1 A 75 75 LYS H H 75 8.661 8.415 0.246 1
1 780 . 1 1 1 A 75 75 LYS HA H 75 4.053 4.203 -0.150 1
1 786 . 1 1 1 A 75 75 LYS C C 75 178.096 179.097 -1.001 1
1 787 . 1 1 1 A 75 75 LYS CA C 75 60.510 59.453 1.057 1
1 788 . 1 1 1 A 75 75 LYS CB C 75 32.236 32.446 -0.210 1
1 792 . 1 1 1 A 75 75 LYS N N 75 121.652 117.200 4.452 1
1 793 . 1 1 1 A 76 76 LYS H H 76 7.855 7.818 0.037 1
1 794 . 1 1 1 A 76 76 LYS HA H 76 4.110 4.026 0.084 1
1 799 . 1 1 1 A 76 76 LYS C C 76 179.822 178.875 0.947 1
1 800 . 1 1 1 A 76 76 LYS CA C 76 59.993 59.717 0.276 1
1 801 . 1 1 1 A 76 76 LYS CB C 76 32.401 32.275 0.126 1
1 805 . 1 1 1 A 76 76 LYS N N 76 119.219 119.706 -0.487 1
1 806 . 1 1 1 A 77 77 GLU H H 77 7.880 8.001 -0.121 1
1 807 . 1 1 1 A 77 77 GLU HA H 77 4.233 4.093 0.140 1
1 812 . 1 1 1 A 77 77 GLU C C 77 178.358 178.064 0.294 1
1 813 . 1 1 1 A 77 77 GLU CA C 77 58.980 59.192 -0.212 1
1 814 . 1 1 1 A 77 77 GLU CB C 77 29.235 29.419 -0.184 1
1 816 . 1 1 1 A 77 77 GLU N N 77 119.640 117.980 1.660 1
1 817 . 1 1 1 A 78 78 TYR H H 78 8.391 8.375 0.016 1
1 818 . 1 1 1 A 78 78 TYR HA H 78 4.413 4.085 0.328 1
1 825 . 1 1 1 A 78 78 TYR C C 78 176.737 177.066 -0.329 1
1 826 . 1 1 1 A 78 78 TYR CA C 78 60.809 61.330 -0.521 1
1 827 . 1 1 1 A 78 78 TYR CB C 78 38.239 38.951 -0.712 1
1 832 . 1 1 1 A 78 78 TYR N N 78 121.464 121.902 -0.438 1
1 833 . 1 1 1 A 79 79 LEU H H 79 8.203 8.034 0.169 1
1 834 . 1 1 1 A 79 79 LEU HA H 79 3.764 3.576 0.188 1
1 844 . 1 1 1 A 79 79 LEU C C 79 180.728 179.050 1.678 1
1 845 . 1 1 1 A 79 79 LEU CA C 79 58.170 57.586 0.584 1
1 846 . 1 1 1 A 79 79 LEU CB C 79 41.445 41.033 0.412 1
1 850 . 1 1 1 A 79 79 LEU N N 79 118.433 119.399 -0.966 1
1 851 . 1 1 1 A 80 80 LYS H H 80 7.523 7.895 -0.372 1
1 852 . 1 1 1 A 80 80 LYS HA H 80 4.134 3.943 0.191 1
1 861 . 1 1 1 A 80 80 LYS C C 80 179.804 179.967 -0.163 1
1 862 . 1 1 1 A 80 80 LYS CA C 80 59.630 60.263 -0.633 1
1 863 . 1 1 1 A 80 80 LYS CB C 80 32.400 32.318 0.082 1
1 867 . 1 1 1 A 80 80 LYS N N 80 120.723 118.270 2.453 1
1 868 . 1 1 1 A 81 81 GLN H H 81 8.473 8.329 0.144 1
1 869 . 1 1 1 A 81 81 GLN HA H 81 4.144 4.049 0.095 1
1 876 . 1 1 1 A 81 81 GLN C C 81 179.906 178.668 1.238 1
1 877 . 1 1 1 A 81 81 GLN CA C 81 58.628 58.717 -0.089 1
1 878 . 1 1 1 A 81 81 GLN CB C 81 28.273 28.134 0.139 1
1 880 . 1 1 1 A 81 81 GLN N N 81 120.899 118.780 2.119 1
1 882 . 1 1 1 A 82 82 LEU H H 82 9.233 7.810 1.423 1
1 883 . 1 1 1 A 82 82 LEU HA H 82 3.963 4.184 -0.221 1
1 893 . 1 1 1 A 82 82 LEU C C 82 178.293 178.218 0.075 1
1 894 . 1 1 1 A 82 82 LEU CA C 82 57.959 57.858 0.101 1
1 895 . 1 1 1 A 82 82 LEU CB C 82 42.044 41.312 0.732 1
1 899 . 1 1 1 A 82 82 LEU N N 82 123.463 121.633 1.830 1
1 900 . 1 1 1 A 83 83 ALA H H 83 7.732 8.022 -0.290 1
1 901 . 1 1 1 A 83 83 ALA HA H 83 4.223 4.054 0.169 1
1 905 . 1 1 1 A 83 83 ALA C C 83 180.853 179.297 1.556 1
1 906 . 1 1 1 A 83 83 ALA CA C 83 54.944 54.366 0.578 1
1 907 . 1 1 1 A 83 83 ALA CB C 83 17.765 18.333 -0.568 1
1 908 . 1 1 1 A 83 83 ALA N N 83 120.956 120.346 0.610 1
1 909 . 1 1 1 A 84 84 ALA H H 84 7.716 7.364 0.352 1
1 910 . 1 1 1 A 84 84 ALA HA H 84 4.135 4.291 -0.156 1
1 914 . 1 1 1 A 84 84 ALA C C 84 180.256 178.934 1.322 1
1 915 . 1 1 1 A 84 84 ALA CA C 84 55.234 54.636 0.598 1
1 916 . 1 1 1 A 84 84 ALA CB C 84 17.806 19.284 -1.478 1
1 917 . 1 1 1 A 84 84 ALA N N 84 121.082 119.409 1.673 1
1 918 . 1 1 1 A 85 85 TYR H H 85 8.453 8.208 0.245 1
1 919 . 1 1 1 A 85 85 TYR HA H 85 4.310 4.084 0.226 1
1 926 . 1 1 1 A 85 85 TYR C C 85 178.538 177.674 0.864 1
1 927 . 1 1 1 A 85 85 TYR CA C 85 60.862 62.023 -1.161 1
1 928 . 1 1 1 A 85 85 TYR CB C 85 38.444 39.104 -0.660 1
1 933 . 1 1 1 A 85 85 TYR N N 85 121.359 119.995 1.364 1
1 934 . 1 1 1 A 86 86 ARG H H 86 8.734 7.756 0.978 1
1 935 . 1 1 1 A 86 86 ARG HA H 86 3.713 3.816 -0.103 1
1 942 . 1 1 1 A 86 86 ARG C C 86 178.962 179.079 -0.117 1
1 943 . 1 1 1 A 86 86 ARG CA C 86 59.454 59.315 0.139 1
1 944 . 1 1 1 A 86 86 ARG CB C 86 29.605 30.054 -0.449 1
1 947 . 1 1 1 A 86 86 ARG N N 86 119.740 118.796 0.944 1
1 948 . 1 1 1 A 87 87 ALA H H 87 7.853 8.222 -0.369 1
1 949 . 1 1 1 A 87 87 ALA HA H 87 4.195 4.045 0.150 1
1 953 . 1 1 1 A 87 87 ALA C C 87 179.605 179.596 0.009 1
1 954 . 1 1 1 A 87 87 ALA CA C 87 54.353 54.670 -0.317 1
1 955 . 1 1 1 A 87 87 ALA CB C 87 17.971 18.483 -0.512 1
1 956 . 1 1 1 A 87 87 ALA N N 87 120.667 122.070 -1.403 1
1 957 . 1 1 1 A 88 88 SER H H 88 7.763 7.658 0.105 1
1 958 . 1 1 1 A 88 88 SER HA H 88 4.347 4.351 -0.004 1
1 961 . 1 1 1 A 88 88 SER C C 88 175.219 176.826 -1.607 1
1 962 . 1 1 1 A 88 88 SER CA C 88 60.158 61.141 -0.983 1
1 963 . 1 1 1 A 88 88 SER CB C 88 63.440 63.172 0.268 1
1 964 . 1 1 1 A 88 88 SER N N 88 114.332 112.701 1.631 1
1 965 . 1 1 1 A 89 89 LEU H H 89 7.344 7.926 -0.582 1
1 966 . 1 1 1 A 89 89 LEU HA H 89 4.163 3.961 0.202 1
1 976 . 1 1 1 A 89 89 LEU C C 89 178.335 178.675 -0.340 1
1 977 . 1 1 1 A 89 89 LEU CA C 89 56.059 57.842 -1.783 1
1 978 . 1 1 1 A 89 89 LEU CB C 89 42.062 41.561 0.501 1
1 982 . 1 1 1 A 89 89 LEU N N 89 121.862 121.633 0.229 1
1 983 . 1 1 1 A 90 90 VAL H H 90 7.533 8.008 -0.475 1
1 984 . 1 1 1 A 90 90 VAL HA H 90 4.063 4.085 -0.022 1
1 992 . 1 1 1 A 90 90 VAL C C 90 176.743 175.552 1.191 1
1 993 . 1 1 1 A 90 90 VAL CA C 90 63.183 63.753 -0.570 1
1 994 . 1 1 1 A 90 90 VAL CB C 90 32.318 31.484 0.834 1
1 997 . 1 1 1 A 90 90 VAL N N 90 117.748 115.886 1.862 1
1 998 . 1 1 1 A 91 91 SER H H 91 8.059 7.407 0.652 1
1 999 . 1 1 1 A 91 91 SER HA H 91 4.415 4.844 -0.429 1
1 1002 . 1 1 1 A 91 91 SER C C 91 174.854 173.631 1.223 1
1 1003 . 1 1 1 A 91 91 SER CA C 91 58.861 57.101 1.760 1
1 1004 . 1 1 1 A 91 91 SER CB C 91 63.810 64.936 -1.126 1
1 1005 . 1 1 1 A 91 91 SER N N 91 117.663 118.016 -0.353 1
1 1006 . 1 1 1 A 92 92 LYS H H 92 8.158 8.626 -0.468 1
1 1007 . 1 1 1 A 92 92 LYS HA H 92 4.329 4.032 0.297 1
1 1010 . 1 1 1 A 92 92 LYS C C 92 176.528 175.098 1.430 1
1 1011 . 1 1 1 A 92 92 LYS CA C 92 56.551 56.737 -0.186 1
1 1012 . 1 1 1 A 92 92 LYS CB C 92 32.771 31.249 1.522 1
1 1016 . 1 1 1 A 92 92 LYS N N 92 122.827 124.864 -2.037 1
1 1017 . 1 1 1 A 93 93 SER H H 93 8.186 8.067 0.119 1
1 1018 . 1 1 1 A 93 93 SER HA H 93 4.444 4.752 -0.308 1
1 1021 . 1 1 1 A 93 93 SER C C 93 174.271 173.015 1.256 1
1 1022 . 1 1 1 A 93 93 SER CA C 93 58.504 57.218 1.286 1
1 1023 . 1 1 1 A 93 93 SER CB C 93 63.933 66.269 -2.336 1
1 1024 . 1 1 1 A 93 93 SER N N 93 116.068 118.285 -2.217 1
1 1025 . 1 1 1 A 94 94 TYR H H 94 8.146 9.324 -1.178 1
1 1026 . 1 1 1 A 94 94 TYR HA H 94 4.658 4.503 0.155 1
1 1033 . 1 1 1 A 94 94 TYR C C 94 176.011 175.335 0.676 1
1 1034 . 1 1 1 A 94 94 TYR CA C 94 58.135 59.686 -1.551 1
1 1035 . 1 1 1 A 94 94 TYR CB C 94 38.855 37.995 0.860 1
1 1040 . 1 1 1 A 94 94 TYR N N 94 122.150 121.669 0.481 1
1 1041 . 1 1 1 A 95 95 THR H H 95 8.024 8.507 -0.483 1
1 1042 . 1 1 1 A 95 95 THR HA H 95 4.333 4.021 0.312 1
1 1047 . 1 1 1 A 95 95 THR C C 95 174.054 173.884 0.170 1
1 1048 . 1 1 1 A 95 95 THR CA C 95 61.740 62.114 -0.374 1
1 1049 . 1 1 1 A 95 95 THR CB C 95 69.977 67.536 2.441 1
1 1051 . 1 1 1 A 95 95 THR N N 95 115.298 113.718 1.580 1
1 1052 . 1 1 1 A 96 96 ASP H H 96 8.288 8.137 0.151 1
1 1053 . 1 1 1 A 96 96 ASP HA H 96 4.663 4.794 -0.131 1
1 1056 . 1 1 1 A 96 96 ASP C C 96 176.252 176.214 0.038 1
1 1057 . 1 1 1 A 96 96 ASP CA C 96 54.494 53.940 0.554 1
1 1058 . 1 1 1 A 96 96 ASP CB C 96 41.404 42.878 -1.474 1
1 1059 . 1 1 1 A 96 96 ASP N N 96 122.969 121.963 1.006 1
1 1060 . 1 1 1 A 97 97 SER H H 97 8.272 8.097 0.175 1
1 1061 . 1 1 1 A 97 97 SER HA H 97 4.500 4.181 0.319 1
1 1063 . 1 1 1 A 97 97 SER C C 97 174.845 173.939 0.906 1
1 1064 . 1 1 1 A 97 97 SER CA C 97 58.522 59.144 -0.622 1
1 1065 . 1 1 1 A 97 97 SER CB C 97 63.656 61.903 1.753 1
1 1066 . 1 1 1 A 97 97 SER N N 97 116.137 111.956 4.181 1
1 1067 . 1 1 1 A 98 98 GLY H H 98 8.289 8.349 -0.060 1
1 1068 . 1 1 1 A 98 98 GLY HA2 H 98 4.123 4.167 -0.044 1
1 1069 . 1 1 1 A 98 98 GLY HA3 H 98 4.123 4.172 -0.049 1
1 1070 . 1 1 1 A 98 98 GLY C C 98 171.920 174.298 -2.378 1
1 1071 . 1 1 1 A 98 98 GLY CA C 98 44.748 45.454 -0.706 1
1 1072 . 1 1 1 A 98 98 GLY N N 98 110.751 112.344 -1.593 1
1 1073 . 1 1 1 A 99 99 PRO HA H 99 4.490 4.437 0.053 1
1 1080 . 1 1 1 A 99 99 PRO CA C 99 63.373 64.125 -0.752 1
1 1081 . 1 1 1 A 99 99 PRO CB C 99 32.247 31.914 0.333 1
1 1 . 2 1 1 A 12 12 LYS HA H 12 4.317 4.958 -0.641 1
1 6 . 2 1 1 A 12 12 LYS C C 12 176.329 174.271 2.058 1
1 7 . 2 1 1 A 12 12 LYS CA C 12 56.223 55.206 1.017 1
1 8 . 2 1 1 A 12 12 LYS CB C 12 33.117 35.616 -2.499 1
1 12 . 2 1 1 A 13 13 LYS H H 13 8.394 8.617 -0.223 1
1 13 . 2 1 1 A 13 13 LYS HA H 13 4.273 4.529 -0.256 1
1 18 . 2 1 1 A 13 13 LYS C C 13 175.990 175.834 0.156 1
1 19 . 2 1 1 A 13 13 LYS CA C 13 56.222 54.877 1.345 1
1 20 . 2 1 1 A 13 13 LYS CB C 13 33.223 32.598 0.625 1
1 24 . 2 1 1 A 13 13 LYS N N 13 123.900 124.861 -0.961 1
1 25 . 2 1 1 A 14 14 ASP H H 14 8.625 8.146 0.479 1
1 26 . 2 1 1 A 14 14 ASP HA H 14 4.902 4.251 0.651 1
1 29 . 2 1 1 A 14 14 ASP CA C 14 51.958 54.878 -2.920 1
1 30 . 2 1 1 A 14 14 ASP CB C 14 41.422 39.529 1.893 1
1 31 . 2 1 1 A 14 14 ASP N N 14 124.861 118.501 6.360 1
1 32 . 2 1 1 A 15 15 PRO HA H 15 4.442 4.716 -0.274 1
1 39 . 2 1 1 A 15 15 PRO C C 15 176.634 176.429 0.205 1
1 40 . 2 1 1 A 15 15 PRO CA C 15 63.606 62.876 0.730 1
1 41 . 2 1 1 A 15 15 PRO CB C 15 32.323 33.333 -1.010 1
1 44 . 2 1 1 A 16 16 ASN H H 16 8.414 8.524 -0.110 1
1 45 . 2 1 1 A 16 16 ASN HA H 16 4.683 4.883 -0.200 1
1 50 . 2 1 1 A 16 16 ASN C C 16 174.365 175.190 -0.825 1
1 51 . 2 1 1 A 16 16 ASN CA C 16 52.946 53.874 -0.928 1
1 52 . 2 1 1 A 16 16 ASN CB C 16 39.266 41.543 -2.277 1
1 53 . 2 1 1 A 16 16 ASN N N 16 116.873 117.265 -0.392 1
1 55 . 2 1 1 A 17 17 GLU H H 17 7.712 7.741 -0.029 1
1 56 . 2 1 1 A 17 17 GLU HA H 17 3.233 3.624 -0.391 1
1 61 . 2 1 1 A 17 17 GLU C C 17 174.415 175.007 -0.592 1
1 62 . 2 1 1 A 17 17 GLU CA C 17 54.423 54.836 -0.413 1
1 63 . 2 1 1 A 17 17 GLU CB C 17 29.911 30.387 -0.476 1
1 65 . 2 1 1 A 17 17 GLU N N 17 122.673 120.081 2.592 1
1 66 . 2 1 1 A 18 18 PRO HA H 18 4.384 4.506 -0.122 1
1 73 . 2 1 1 A 18 18 PRO CA C 18 62.896 62.905 -0.009 1
1 74 . 2 1 1 A 18 18 PRO CB C 18 31.963 32.277 -0.314 1
1 77 . 2 1 1 A 19 19 GLN H H 19 8.654 8.569 0.085 1
1 78 . 2 1 1 A 19 19 GLN HA H 19 4.293 4.483 -0.190 1
1 85 . 2 1 1 A 19 19 GLN C C 19 175.384 175.460 -0.076 1
1 86 . 2 1 1 A 19 19 GLN CA C 19 55.057 55.531 -0.474 1
1 87 . 2 1 1 A 19 19 GLN CB C 19 29.793 29.022 0.771 1
1 89 . 2 1 1 A 19 19 GLN N N 19 122.106 121.881 0.225 1
1 91 . 2 1 1 A 20 20 LYS H H 20 8.383 7.994 0.389 1
1 92 . 2 1 1 A 20 20 LYS HA H 20 3.393 2.489 0.904 1
1 101 . 2 1 1 A 20 20 LYS C C 20 174.706 174.740 -0.034 1
1 102 . 2 1 1 A 20 20 LYS CA C 20 54.951 53.898 1.053 1
1 103 . 2 1 1 A 20 20 LYS CB C 20 31.802 32.459 -0.657 1
1 107 . 2 1 1 A 20 20 LYS N N 20 124.861 126.184 -1.323 1
1 108 . 2 1 1 A 21 21 PRO HA H 21 4.500 4.458 0.042 1
1 115 . 2 1 1 A 21 21 PRO C C 21 176.741 176.429 0.312 1
1 116 . 2 1 1 A 21 21 PRO CA C 21 62.396 62.549 -0.153 1
1 117 . 2 1 1 A 21 21 PRO CB C 21 32.392 31.884 0.508 1
1 120 . 2 1 1 A 22 22 VAL H H 22 7.850 8.102 -0.252 1
1 121 . 2 1 1 A 22 22 VAL HA H 22 4.303 4.330 -0.027 1
1 129 . 2 1 1 A 22 22 VAL C C 22 175.615 175.559 0.056 1
1 130 . 2 1 1 A 22 22 VAL CA C 22 60.967 59.960 1.007 1
1 131 . 2 1 1 A 22 22 VAL CB C 22 32.342 33.696 -1.354 1
1 134 . 2 1 1 A 22 22 VAL N N 22 115.924 117.087 -1.163 1
1 135 . 2 1 1 A 23 23 SER H H 23 8.125 8.402 -0.277 1
1 136 . 2 1 1 A 23 23 SER HA H 23 4.433 4.529 -0.096 1
1 139 . 2 1 1 A 23 23 SER C C 23 173.516 175.283 -1.767 1
1 140 . 2 1 1 A 23 23 SER CA C 23 57.590 58.135 -0.545 1
1 141 . 2 1 1 A 23 23 SER CB C 23 65.578 63.913 1.665 1
1 142 . 2 1 1 A 23 23 SER N N 23 116.922 117.848 -0.926 1
1 143 . 2 1 1 A 24 24 ALA H H 24 8.707 8.794 -0.087 1
1 144 . 2 1 1 A 24 24 ALA HA H 24 4.046 4.341 -0.295 1
1 148 . 2 1 1 A 24 24 ALA C C 24 178.727 178.824 -0.097 1
1 149 . 2 1 1 A 24 24 ALA CA C 24 55.971 55.016 0.955 1
1 150 . 2 1 1 A 24 24 ALA CB C 24 18.505 18.671 -0.166 1
1 151 . 2 1 1 A 24 24 ALA N N 24 123.025 127.243 -4.218 1
1 152 . 2 1 1 A 25 25 TYR H H 25 8.119 8.021 0.098 1
1 153 . 2 1 1 A 25 25 TYR HA H 25 2.678 2.375 0.303 1
1 160 . 2 1 1 A 25 25 TYR C C 25 176.253 177.314 -1.061 1
1 161 . 2 1 1 A 25 25 TYR CA C 25 60.281 60.324 -0.043 1
1 162 . 2 1 1 A 25 25 TYR CB C 25 37.951 37.991 -0.040 1
1 167 . 2 1 1 A 25 25 TYR N N 25 115.954 118.863 -2.909 1
1 168 . 2 1 1 A 26 26 ALA H H 26 7.742 7.678 0.064 1
1 169 . 2 1 1 A 26 26 ALA HA H 26 3.758 3.714 0.044 1
1 173 . 2 1 1 A 26 26 ALA C C 26 181.489 179.397 2.092 1
1 174 . 2 1 1 A 26 26 ALA CA C 26 54.859 54.411 0.448 1
1 175 . 2 1 1 A 26 26 ALA CB C 26 18.029 18.372 -0.343 1
1 176 . 2 1 1 A 26 26 ALA N N 26 121.384 121.292 0.092 1
1 177 . 2 1 1 A 27 27 LEU H H 27 7.991 7.877 0.114 1
1 178 . 2 1 1 A 27 27 LEU HA H 27 4.023 4.002 0.021 1
1 188 . 2 1 1 A 27 27 LEU C C 27 178.625 177.987 0.638 1
1 189 . 2 1 1 A 27 27 LEU CA C 27 57.876 57.682 0.194 1
1 190 . 2 1 1 A 27 27 LEU CB C 27 42.103 41.666 0.437 1
1 194 . 2 1 1 A 27 27 LEU N N 27 120.626 118.978 1.648 1
1 195 . 2 1 1 A 28 28 PHE H H 28 7.706 7.785 -0.079 1
1 196 . 2 1 1 A 28 28 PHE HA H 28 3.653 4.015 -0.362 1
1 204 . 2 1 1 A 28 28 PHE C C 28 178.640 177.446 1.194 1
1 205 . 2 1 1 A 28 28 PHE CA C 28 61.653 59.523 2.130 1
1 206 . 2 1 1 A 28 28 PHE CB C 28 39.060 39.550 -0.490 1
1 212 . 2 1 1 A 28 28 PHE N N 28 122.656 119.600 3.056 1
1 213 . 2 1 1 A 29 29 PHE H H 29 9.246 8.204 1.042 1
1 214 . 2 1 1 A 29 29 PHE HA H 29 3.483 3.811 -0.328 1
1 222 . 2 1 1 A 29 29 PHE C C 29 177.478 177.581 -0.103 1
1 223 . 2 1 1 A 29 29 PHE CA C 29 61.126 60.800 0.326 1
1 224 . 2 1 1 A 29 29 PHE CB C 29 38.837 38.774 0.063 1
1 230 . 2 1 1 A 29 29 PHE N N 29 123.986 119.503 4.483 1
1 231 . 2 1 1 A 30 30 ARG H H 30 8.044 8.030 0.014 1
1 232 . 2 1 1 A 30 30 ARG HA H 30 4.046 4.119 -0.073 1
1 239 . 2 1 1 A 30 30 ARG C C 30 179.156 177.122 2.034 1
1 240 . 2 1 1 A 30 30 ARG CA C 30 59.542 58.058 1.484 1
1 241 . 2 1 1 A 30 30 ARG CB C 30 30.053 29.538 0.515 1
1 244 . 2 1 1 A 30 30 ARG N N 30 119.141 118.241 0.900 1
1 245 . 2 1 1 A 31 31 ASP H H 31 7.712 8.003 -0.291 1
1 246 . 2 1 1 A 31 31 ASP HA H 31 4.523 4.547 -0.024 1
1 249 . 2 1 1 A 31 31 ASP C C 31 177.850 177.677 0.173 1
1 250 . 2 1 1 A 31 31 ASP CA C 31 56.516 56.422 0.094 1
1 251 . 2 1 1 A 31 31 ASP CB C 31 40.664 40.995 -0.331 1
1 252 . 2 1 1 A 31 31 ASP N N 31 118.527 119.119 -0.592 1
1 253 . 2 1 1 A 32 32 THR H H 32 7.704 7.135 0.569 1
1 254 . 2 1 1 A 32 32 THR HA H 32 3.953 3.946 0.007 1
1 259 . 2 1 1 A 32 32 THR C C 32 175.637 175.724 -0.087 1
1 260 . 2 1 1 A 32 32 THR CA C 32 65.030 65.243 -0.213 1
1 261 . 2 1 1 A 32 32 THR CB C 32 69.195 68.683 0.512 1
1 263 . 2 1 1 A 32 32 THR N N 32 115.935 114.490 1.445 1
1 264 . 2 1 1 A 33 33 GLN H H 33 8.361 7.781 0.580 1
1 265 . 2 1 1 A 33 33 GLN HA H 33 3.373 3.610 -0.237 1
1 272 . 2 1 1 A 33 33 GLN C C 33 176.526 177.715 -1.189 1
1 273 . 2 1 1 A 33 33 GLN CA C 33 60.000 58.862 1.138 1
1 274 . 2 1 1 A 33 33 GLN CB C 33 26.827 28.084 -1.257 1
1 276 . 2 1 1 A 33 33 GLN N N 33 120.539 119.237 1.302 1
1 278 . 2 1 1 A 34 34 ALA H H 34 8.053 8.038 0.015 1
1 279 . 2 1 1 A 34 34 ALA HA H 34 3.964 3.973 -0.009 1
1 283 . 2 1 1 A 34 34 ALA C C 34 180.762 179.974 0.788 1
1 284 . 2 1 1 A 34 34 ALA CA C 34 55.338 55.018 0.320 1
1 285 . 2 1 1 A 34 34 ALA CB C 34 17.724 18.590 -0.866 1
1 286 . 2 1 1 A 34 34 ALA N N 34 120.505 120.555 -0.050 1
1 287 . 2 1 1 A 35 35 ALA H H 35 7.763 8.072 -0.309 1
1 288 . 2 1 1 A 35 35 ALA HA H 35 4.135 4.106 0.029 1
1 292 . 2 1 1 A 35 35 ALA C C 35 180.801 180.083 0.718 1
1 293 . 2 1 1 A 35 35 ALA CA C 35 54.635 55.092 -0.457 1
1 294 . 2 1 1 A 35 35 ALA CB C 35 17.888 18.239 -0.351 1
1 295 . 2 1 1 A 35 35 ALA N N 35 122.109 119.919 2.190 1
1 296 . 2 1 1 A 36 36 ILE H H 36 7.673 7.845 -0.172 1
1 297 . 2 1 1 A 36 36 ILE HA H 36 3.753 3.630 0.123 1
1 307 . 2 1 1 A 36 36 ILE C C 36 179.213 177.950 1.263 1
1 308 . 2 1 1 A 36 36 ILE CA C 36 62.955 64.853 -1.898 1
1 309 . 2 1 1 A 36 36 ILE CB C 36 36.388 37.435 -1.047 1
1 313 . 2 1 1 A 36 36 ILE N N 36 118.252 119.094 -0.842 1
1 314 . 2 1 1 A 37 37 LYS H H 37 8.444 8.588 -0.144 1
1 315 . 2 1 1 A 37 37 LYS HA H 37 3.982 3.940 0.042 1
1 324 . 2 1 1 A 37 37 LYS C C 37 178.872 179.381 -0.509 1
1 325 . 2 1 1 A 37 37 LYS CA C 37 58.715 59.771 -1.056 1
1 326 . 2 1 1 A 37 37 LYS CB C 37 31.802 32.047 -0.245 1
1 330 . 2 1 1 A 37 37 LYS N N 37 121.415 119.384 2.031 1
1 331 . 2 1 1 A 38 38 GLY H H 38 7.873 8.373 -0.500 1
1 332 . 2 1 1 A 38 38 GLY HA2 H 38 3.849 3.805 0.044 1
1 333 . 2 1 1 A 38 38 GLY HA3 H 38 3.849 3.810 0.039 1
1 334 . 2 1 1 A 38 38 GLY C C 38 175.341 176.156 -0.815 1
1 335 . 2 1 1 A 38 38 GLY CA C 38 46.490 47.352 -0.862 1
1 336 . 2 1 1 A 38 38 GLY N N 38 104.723 106.823 -2.100 1
1 337 . 2 1 1 A 39 39 GLN H H 39 7.288 7.744 -0.456 1
1 338 . 2 1 1 A 39 39 GLN HA H 39 4.313 4.230 0.083 1
1 345 . 2 1 1 A 39 39 GLN C C 39 175.814 175.903 -0.089 1
1 346 . 2 1 1 A 39 39 GLN CA C 39 56.482 57.211 -0.729 1
1 347 . 2 1 1 A 39 39 GLN CB C 39 30.074 29.233 0.841 1
1 349 . 2 1 1 A 39 39 GLN N N 39 117.295 119.609 -2.314 1
1 351 . 2 1 1 A 40 40 ASN H H 40 7.780 7.780 0.000 1
1 352 . 2 1 1 A 40 40 ASN HA H 40 5.159 5.201 -0.042 1
1 357 . 2 1 1 A 40 40 ASN C C 40 172.428 173.409 -0.981 1
1 358 . 2 1 1 A 40 40 ASN CA C 40 50.877 50.377 0.500 1
1 359 . 2 1 1 A 40 40 ASN CB C 40 39.595 38.793 0.802 1
1 360 . 2 1 1 A 40 40 ASN N N 40 115.989 117.353 -1.364 1
1 362 . 2 1 1 A 41 41 PRO HA H 41 4.523 4.378 0.145 1
1 369 . 2 1 1 A 41 41 PRO C C 41 177.550 177.732 -0.182 1
1 370 . 2 1 1 A 41 41 PRO CA C 41 64.837 63.988 0.849 1
1 371 . 2 1 1 A 41 41 PRO CB C 41 32.073 31.655 0.418 1
1 374 . 2 1 1 A 42 42 ASN H H 42 8.363 8.294 0.069 1
1 375 . 2 1 1 A 42 42 ASN HA H 42 4.853 4.633 0.220 1
1 380 . 2 1 1 A 42 42 ASN C C 42 175.387 176.390 -1.003 1
1 381 . 2 1 1 A 42 42 ASN CA C 42 52.753 55.397 -2.644 1
1 382 . 2 1 1 A 42 42 ASN CB C 42 38.879 38.641 0.238 1
1 383 . 2 1 1 A 42 42 ASN N N 42 114.677 115.433 -0.756 1
1 385 . 2 1 1 A 43 43 ALA H H 43 7.533 7.200 0.333 1
1 386 . 2 1 1 A 43 43 ALA HA H 43 4.443 4.221 0.222 1
1 390 . 2 1 1 A 43 43 ALA C C 43 178.490 177.787 0.703 1
1 391 . 2 1 1 A 43 43 ALA CA C 43 52.647 53.078 -0.431 1
1 392 . 2 1 1 A 43 43 ALA CB C 43 19.314 19.157 0.157 1
1 393 . 2 1 1 A 43 43 ALA N N 43 124.307 121.513 2.794 1
1 394 . 2 1 1 A 44 44 THR H H 44 8.698 8.700 -0.002 1
1 395 . 2 1 1 A 44 44 THR HA H 44 4.482 4.826 -0.344 1
1 400 . 2 1 1 A 44 44 THR C C 44 175.408 174.661 0.747 1
1 401 . 2 1 1 A 44 44 THR CA C 44 60.791 60.359 0.432 1
1 402 . 2 1 1 A 44 44 THR CB C 44 71.516 68.724 2.792 1
1 404 . 2 1 1 A 44 44 THR N N 44 114.309 111.600 2.709 1
1 405 . 2 1 1 A 45 45 PHE HA H 45 4.303 4.438 -0.135 1
1 410 . 2 1 1 A 45 45 PHE CA C 45 61.982 60.146 1.836 1
1 411 . 2 1 1 A 45 45 PHE CB C 45 38.942 38.765 0.177 1
1 414 . 2 1 1 A 46 46 GLY HA2 H 46 3.962 3.792 0.170 1
1 415 . 2 1 1 A 46 46 GLY HA3 H 46 3.745 3.901 -0.156 1
1 416 . 2 1 1 A 46 46 GLY C C 46 176.621 176.663 -0.042 1
1 417 . 2 1 1 A 46 46 GLY CA C 46 46.930 47.136 -0.206 1
1 418 . 2 1 1 A 47 47 GLU H H 47 7.692 7.978 -0.286 1
1 419 . 2 1 1 A 47 47 GLU HA H 47 4.053 4.161 -0.108 1
1 424 . 2 1 1 A 47 47 GLU C C 47 179.472 178.896 0.576 1
1 425 . 2 1 1 A 47 47 GLU CA C 47 59.296 59.249 0.047 1
1 426 . 2 1 1 A 47 47 GLU CB C 47 29.769 30.186 -0.417 1
1 428 . 2 1 1 A 47 47 GLU N N 47 123.040 121.686 1.354 1
1 429 . 2 1 1 A 48 48 VAL H H 48 8.504 7.994 0.510 1
1 430 . 2 1 1 A 48 48 VAL HA H 48 3.413 3.636 -0.223 1
1 438 . 2 1 1 A 48 48 VAL C C 48 177.640 178.229 -0.589 1
1 439 . 2 1 1 A 48 48 VAL CA C 48 67.159 66.000 1.159 1
1 440 . 2 1 1 A 48 48 VAL CB C 48 31.820 31.645 0.175 1
1 443 . 2 1 1 A 48 48 VAL N N 48 120.194 120.773 -0.579 1
1 444 . 2 1 1 A 49 49 SER H H 49 8.442 8.321 0.121 1
1 445 . 2 1 1 A 49 49 SER HA H 49 4.093 4.261 -0.168 1
1 448 . 2 1 1 A 49 49 SER C C 49 176.016 176.469 -0.453 1
1 449 . 2 1 1 A 49 49 SER CA C 49 62.500 61.602 0.898 1
1 450 . 2 1 1 A 49 49 SER CB C 49 62.653 63.169 -0.516 1
1 451 . 2 1 1 A 49 49 SER N N 49 113.484 116.990 -3.506 1
1 452 . 2 1 1 A 50 50 LYS H H 50 7.474 7.604 -0.130 1
1 453 . 2 1 1 A 50 50 LYS HA H 50 4.132 4.039 0.093 1
1 462 . 2 1 1 A 50 50 LYS C C 50 179.463 179.403 0.060 1
1 463 . 2 1 1 A 50 50 LYS CA C 50 59.525 59.332 0.193 1
1 464 . 2 1 1 A 50 50 LYS CB C 50 32.606 32.251 0.355 1
1 468 . 2 1 1 A 50 50 LYS N N 50 120.865 121.146 -0.281 1
1 469 . 2 1 1 A 51 51 ILE H H 51 7.853 7.454 0.399 1
1 470 . 2 1 1 A 51 51 ILE HA H 51 3.793 3.797 -0.004 1
1 480 . 2 1 1 A 51 51 ILE C C 51 179.105 177.938 1.167 1
1 481 . 2 1 1 A 51 51 ILE CA C 51 65.488 64.645 0.843 1
1 482 . 2 1 1 A 51 51 ILE CB C 51 38.603 38.053 0.550 1
1 486 . 2 1 1 A 51 51 ILE N N 51 121.720 120.287 1.433 1
1 487 . 2 1 1 A 52 52 VAL H H 52 8.703 7.544 1.159 1
1 488 . 2 1 1 A 52 52 VAL HA H 52 3.659 3.622 0.037 1
1 496 . 2 1 1 A 52 52 VAL C C 52 178.262 178.143 0.119 1
1 497 . 2 1 1 A 52 52 VAL CA C 52 67.388 66.790 0.598 1
1 498 . 2 1 1 A 52 52 VAL CB C 52 31.185 31.492 -0.307 1
1 501 . 2 1 1 A 52 52 VAL N N 52 121.006 119.902 1.104 1
1 502 . 2 1 1 A 53 53 ALA H H 53 8.343 8.691 -0.348 1
1 503 . 2 1 1 A 53 53 ALA HA H 53 4.412 4.433 -0.021 1
1 507 . 2 1 1 A 53 53 ALA C C 53 180.884 180.002 0.882 1
1 508 . 2 1 1 A 53 53 ALA CA C 53 56.271 55.730 0.541 1
1 509 . 2 1 1 A 53 53 ALA CB C 53 17.888 18.622 -0.734 1
1 510 . 2 1 1 A 53 53 ALA N N 53 122.645 122.251 0.394 1
1 511 . 2 1 1 A 54 54 SER H H 54 7.905 8.029 -0.124 1
1 512 . 2 1 1 A 54 54 SER HA H 54 4.415 4.201 0.214 1
1 515 . 2 1 1 A 54 54 SER C C 54 177.818 176.895 0.923 1
1 516 . 2 1 1 A 54 54 SER CA C 54 61.635 61.894 -0.259 1
1 517 . 2 1 1 A 54 54 SER CB C 54 62.947 63.180 -0.233 1
1 518 . 2 1 1 A 54 54 SER N N 54 114.062 114.252 -0.190 1
1 519 . 2 1 1 A 55 55 MET H H 55 8.553 8.507 0.046 1
1 520 . 2 1 1 A 55 55 MET HA H 55 4.194 4.180 0.014 1
1 528 . 2 1 1 A 55 55 MET C C 55 179.156 178.594 0.562 1
1 529 . 2 1 1 A 55 55 MET CA C 55 59.190 58.816 0.374 1
1 530 . 2 1 1 A 55 55 MET CB C 55 33.551 33.365 0.186 1
1 533 . 2 1 1 A 55 55 MET N N 55 123.394 119.876 3.518 1
1 534 . 2 1 1 A 56 56 TRP H H 56 8.864 8.887 -0.023 1
1 535 . 2 1 1 A 56 56 TRP HA H 56 3.899 3.836 0.063 1
1 544 . 2 1 1 A 56 56 TRP C C 56 178.213 178.013 0.200 1
1 545 . 2 1 1 A 56 56 TRP CA C 56 59.806 61.474 -1.668 1
1 546 . 2 1 1 A 56 56 TRP CB C 56 30.281 29.692 0.589 1
1 552 . 2 1 1 A 56 56 TRP N N 56 121.428 122.809 -1.381 1
1 554 . 2 1 1 A 57 57 ASP H H 57 8.061 8.490 -0.429 1
1 555 . 2 1 1 A 57 57 ASP HA H 57 4.253 4.315 -0.062 1
1 558 . 2 1 1 A 57 57 ASP C C 57 178.103 177.933 0.170 1
1 559 . 2 1 1 A 57 57 ASP CA C 57 57.186 56.665 0.521 1
1 560 . 2 1 1 A 57 57 ASP CB C 57 40.705 40.438 0.267 1
1 561 . 2 1 1 A 57 57 ASP N N 57 117.661 118.948 -1.287 1
1 562 . 2 1 1 A 58 58 GLY H H 58 7.481 7.983 -0.502 1
1 563 . 2 1 1 A 58 58 GLY HA2 H 58 4.202 3.927 0.275 1
1 564 . 2 1 1 A 58 58 GLY HA3 H 58 3.672 3.958 -0.286 1
1 565 . 2 1 1 A 58 58 GLY C C 58 174.062 174.063 -0.001 1
1 566 . 2 1 1 A 58 58 GLY CA C 58 44.872 45.170 -0.298 1
1 567 . 2 1 1 A 58 58 GLY N N 58 103.794 107.331 -3.537 1
1 568 . 2 1 1 A 59 59 LEU H H 59 7.153 7.186 -0.033 1
1 569 . 2 1 1 A 59 59 LEU HA H 59 4.123 4.033 0.090 1
1 579 . 2 1 1 A 59 59 LEU C C 59 177.880 177.309 0.571 1
1 580 . 2 1 1 A 59 59 LEU CA C 59 55.114 55.295 -0.181 1
1 581 . 2 1 1 A 59 59 LEU CB C 59 43.149 41.939 1.210 1
1 585 . 2 1 1 A 59 59 LEU N N 59 123.874 121.072 2.802 1
1 586 . 2 1 1 A 60 60 GLY H H 60 8.523 8.416 0.107 1
1 587 . 2 1 1 A 60 60 GLY HA2 H 60 4.091 3.987 0.104 1
1 588 . 2 1 1 A 60 60 GLY HA3 H 60 3.993 4.001 -0.008 1
1 589 . 2 1 1 A 60 60 GLY C C 60 174.634 174.761 -0.127 1
1 590 . 2 1 1 A 60 60 GLY CA C 60 44.995 45.169 -0.174 1
1 591 . 2 1 1 A 60 60 GLY N N 60 110.475 109.409 1.066 1
1 592 . 2 1 1 A 61 61 GLU H H 61 8.743 8.622 0.121 1
1 593 . 2 1 1 A 61 61 GLU HA H 61 3.873 3.826 0.047 1
1 598 . 2 1 1 A 61 61 GLU C C 61 178.841 178.461 0.380 1
1 599 . 2 1 1 A 61 61 GLU CA C 61 59.577 59.484 0.093 1
1 600 . 2 1 1 A 61 61 GLU CB C 61 29.299 29.391 -0.092 1
1 602 . 2 1 1 A 61 61 GLU N N 61 122.609 121.394 1.215 1
1 603 . 2 1 1 A 62 62 GLU H H 62 9.063 8.078 0.985 1
1 604 . 2 1 1 A 62 62 GLU HA H 62 4.033 4.342 -0.309 1
1 609 . 2 1 1 A 62 62 GLU C C 62 179.086 178.354 0.732 1
1 610 . 2 1 1 A 62 62 GLU CA C 62 59.841 59.090 0.751 1
1 611 . 2 1 1 A 62 62 GLU CB C 62 28.660 29.253 -0.593 1
1 613 . 2 1 1 A 62 62 GLU N N 62 118.089 119.183 -1.094 1
1 614 . 2 1 1 A 63 63 GLN H H 63 7.563 8.049 -0.486 1
1 615 . 2 1 1 A 63 63 GLN HA H 63 4.282 4.033 0.249 1
1 622 . 2 1 1 A 63 63 GLN C C 63 179.406 178.611 0.795 1
1 623 . 2 1 1 A 63 63 GLN CA C 63 59.050 57.992 1.058 1
1 624 . 2 1 1 A 63 63 GLN CB C 63 29.089 28.439 0.650 1
1 626 . 2 1 1 A 63 63 GLN N N 63 118.216 118.554 -0.338 1
1 628 . 2 1 1 A 64 64 LYS H H 64 8.193 8.050 0.143 1
1 629 . 2 1 1 A 64 64 LYS HA H 64 3.933 3.858 0.075 1
1 638 . 2 1 1 A 64 64 LYS C C 64 179.858 179.162 0.696 1
1 639 . 2 1 1 A 64 64 LYS CA C 64 60.774 59.329 1.445 1
1 640 . 2 1 1 A 64 64 LYS CB C 64 33.100 32.060 1.040 1
1 644 . 2 1 1 A 64 64 LYS N N 64 119.928 120.593 -0.665 1
1 645 . 2 1 1 A 65 65 GLN H H 65 8.459 8.154 0.305 1
1 646 . 2 1 1 A 65 65 GLN HA H 65 4.056 4.151 -0.095 1
1 653 . 2 1 1 A 65 65 GLN C C 65 177.751 178.123 -0.372 1
1 654 . 2 1 1 A 65 65 GLN CA C 65 58.891 58.614 0.277 1
1 655 . 2 1 1 A 65 65 GLN CB C 65 28.167 28.455 -0.288 1
1 657 . 2 1 1 A 65 65 GLN N N 65 117.874 118.179 -0.305 1
1 659 . 2 1 1 A 66 66 VAL H H 66 7.408 7.716 -0.308 1
1 660 . 2 1 1 A 66 66 VAL HA H 66 3.653 3.711 -0.058 1
1 668 . 2 1 1 A 66 66 VAL C C 66 178.900 177.433 1.467 1
1 669 . 2 1 1 A 66 66 VAL CA C 66 66.860 65.374 1.486 1
1 670 . 2 1 1 A 66 66 VAL CB C 66 31.784 31.277 0.507 1
1 673 . 2 1 1 A 66 66 VAL N N 66 119.348 120.222 -0.874 1
1 674 . 2 1 1 A 67 67 TYR H H 67 7.229 7.567 -0.338 1
1 675 . 2 1 1 A 67 67 TYR HA H 67 4.151 4.432 -0.281 1
1 682 . 2 1 1 A 67 67 TYR C C 67 178.776 178.512 0.264 1
1 683 . 2 1 1 A 67 67 TYR CA C 67 63.307 60.677 2.630 1
1 684 . 2 1 1 A 67 67 TYR CB C 67 39.308 38.103 1.205 1
1 689 . 2 1 1 A 67 67 TYR N N 67 117.638 120.873 -3.235 1
1 690 . 2 1 1 A 68 68 LYS H H 68 8.554 8.410 0.144 1
1 691 . 2 1 1 A 68 68 LYS HA H 68 4.195 4.159 0.036 1
1 698 . 2 1 1 A 68 68 LYS C C 68 179.468 179.724 -0.256 1
1 699 . 2 1 1 A 68 68 LYS CA C 68 60.703 59.304 1.399 1
1 700 . 2 1 1 A 68 68 LYS CB C 68 32.154 32.053 0.101 1
1 704 . 2 1 1 A 68 68 LYS N N 68 121.795 119.659 2.136 1
1 705 . 2 1 1 A 69 69 LYS H H 69 8.883 7.793 1.090 1
1 706 . 2 1 1 A 69 69 LYS HA H 69 4.171 4.128 0.043 1
1 715 . 2 1 1 A 69 69 LYS C C 69 180.214 179.597 0.617 1
1 716 . 2 1 1 A 69 69 LYS CA C 69 59.824 59.722 0.102 1
1 717 . 2 1 1 A 69 69 LYS CB C 69 32.072 31.997 0.075 1
1 721 . 2 1 1 A 69 69 LYS N N 69 120.539 119.904 0.635 1
1 722 . 2 1 1 A 70 70 LYS H H 70 7.791 7.836 -0.045 1
1 723 . 2 1 1 A 70 70 LYS HA H 70 4.211 4.094 0.117 1
1 732 . 2 1 1 A 70 70 LYS C C 70 179.985 179.143 0.842 1
1 733 . 2 1 1 A 70 70 LYS CA C 70 60.017 59.201 0.816 1
1 734 . 2 1 1 A 70 70 LYS CB C 70 33.200 32.246 0.954 1
1 738 . 2 1 1 A 70 70 LYS N N 70 119.946 119.584 0.362 1
1 739 . 2 1 1 A 71 71 THR H H 71 8.002 7.908 0.094 1
1 740 . 2 1 1 A 71 71 THR HA H 71 4.301 3.946 0.355 1
1 745 . 2 1 1 A 71 71 THR C C 71 176.462 176.910 -0.448 1
1 746 . 2 1 1 A 71 71 THR CA C 71 66.402 67.311 -0.909 1
1 747 . 2 1 1 A 71 71 THR CB C 71 68.949 68.348 0.601 1
1 749 . 2 1 1 A 71 71 THR N N 71 116.183 117.747 -1.564 1
1 750 . 2 1 1 A 72 72 GLU H H 72 8.295 8.153 0.142 1
1 751 . 2 1 1 A 72 72 GLU HA H 72 4.143 4.112 0.031 1
1 756 . 2 1 1 A 72 72 GLU C C 72 179.498 178.369 1.129 1
1 757 . 2 1 1 A 72 72 GLU CA C 72 59.665 59.151 0.514 1
1 758 . 2 1 1 A 72 72 GLU CB C 72 29.400 29.179 0.221 1
1 760 . 2 1 1 A 72 72 GLU N N 72 123.438 119.404 4.034 1
1 761 . 2 1 1 A 73 73 ALA H H 73 8.063 7.713 0.350 1
1 762 . 2 1 1 A 73 73 ALA HA H 73 4.262 4.205 0.057 1
1 766 . 2 1 1 A 73 73 ALA C C 73 180.639 178.883 1.756 1
1 767 . 2 1 1 A 73 73 ALA CA C 73 55.268 53.802 1.466 1
1 768 . 2 1 1 A 73 73 ALA CB C 73 17.824 18.494 -0.670 1
1 769 . 2 1 1 A 73 73 ALA N N 73 122.231 121.768 0.463 1
1 770 . 2 1 1 A 74 74 ALA H H 74 8.093 8.052 0.041 1
1 771 . 2 1 1 A 74 74 ALA HA H 74 4.320 4.307 0.013 1
1 775 . 2 1 1 A 74 74 ALA C C 74 181.394 179.586 1.808 1
1 776 . 2 1 1 A 74 74 ALA CA C 74 54.904 54.249 0.655 1
1 777 . 2 1 1 A 74 74 ALA CB C 74 18.313 19.138 -0.825 1
1 778 . 2 1 1 A 74 74 ALA N N 74 121.882 119.507 2.375 1
1 779 . 2 1 1 A 75 75 LYS H H 75 8.661 7.941 0.720 1
1 780 . 2 1 1 A 75 75 LYS HA H 75 4.053 4.094 -0.041 1
1 786 . 2 1 1 A 75 75 LYS C C 75 178.096 178.525 -0.429 1
1 787 . 2 1 1 A 75 75 LYS CA C 75 60.510 59.577 0.933 1
1 788 . 2 1 1 A 75 75 LYS CB C 75 32.236 32.122 0.114 1
1 792 . 2 1 1 A 75 75 LYS N N 75 121.652 118.397 3.255 1
1 793 . 2 1 1 A 76 76 LYS H H 76 7.855 7.729 0.126 1
1 794 . 2 1 1 A 76 76 LYS HA H 76 4.110 3.983 0.127 1
1 799 . 2 1 1 A 76 76 LYS C C 76 179.822 178.782 1.040 1
1 800 . 2 1 1 A 76 76 LYS CA C 76 59.993 59.876 0.117 1
1 801 . 2 1 1 A 76 76 LYS CB C 76 32.401 32.350 0.051 1
1 805 . 2 1 1 A 76 76 LYS N N 76 119.219 119.207 0.012 1
1 806 . 2 1 1 A 77 77 GLU H H 77 7.880 8.240 -0.360 1
1 807 . 2 1 1 A 77 77 GLU HA H 77 4.233 4.073 0.160 1
1 812 . 2 1 1 A 77 77 GLU C C 77 178.358 178.146 0.212 1
1 813 . 2 1 1 A 77 77 GLU CA C 77 58.980 59.271 -0.291 1
1 814 . 2 1 1 A 77 77 GLU CB C 77 29.235 29.313 -0.078 1
1 816 . 2 1 1 A 77 77 GLU N N 77 119.640 117.699 1.941 1
1 817 . 2 1 1 A 78 78 TYR H H 78 8.391 8.264 0.127 1
1 818 . 2 1 1 A 78 78 TYR HA H 78 4.413 4.049 0.364 1
1 825 . 2 1 1 A 78 78 TYR C C 78 176.737 176.947 -0.210 1
1 826 . 2 1 1 A 78 78 TYR CA C 78 60.809 61.747 -0.938 1
1 827 . 2 1 1 A 78 78 TYR CB C 78 38.239 38.904 -0.665 1
1 832 . 2 1 1 A 78 78 TYR N N 78 121.464 121.927 -0.463 1
1 833 . 2 1 1 A 79 79 LEU H H 79 8.203 7.816 0.387 1
1 834 . 2 1 1 A 79 79 LEU HA H 79 3.764 3.671 0.093 1
1 844 . 2 1 1 A 79 79 LEU C C 79 180.728 179.103 1.625 1
1 845 . 2 1 1 A 79 79 LEU CA C 79 58.170 57.676 0.494 1
1 846 . 2 1 1 A 79 79 LEU CB C 79 41.445 41.561 -0.116 1
1 850 . 2 1 1 A 79 79 LEU N N 79 118.433 119.626 -1.193 1
1 851 . 2 1 1 A 80 80 LYS H H 80 7.523 8.233 -0.710 1
1 852 . 2 1 1 A 80 80 LYS HA H 80 4.134 3.873 0.261 1
1 861 . 2 1 1 A 80 80 LYS C C 80 179.804 179.853 -0.049 1
1 862 . 2 1 1 A 80 80 LYS CA C 80 59.630 60.370 -0.740 1
1 863 . 2 1 1 A 80 80 LYS CB C 80 32.400 32.406 -0.006 1
1 867 . 2 1 1 A 80 80 LYS N N 80 120.723 117.524 3.199 1
1 868 . 2 1 1 A 81 81 GLN H H 81 8.473 8.145 0.328 1
1 869 . 2 1 1 A 81 81 GLN HA H 81 4.144 3.905 0.239 1
1 876 . 2 1 1 A 81 81 GLN C C 81 179.906 178.286 1.620 1
1 877 . 2 1 1 A 81 81 GLN CA C 81 58.628 59.028 -0.400 1
1 878 . 2 1 1 A 81 81 GLN CB C 81 28.273 28.139 0.134 1
1 880 . 2 1 1 A 81 81 GLN N N 81 120.899 118.755 2.144 1
1 882 . 2 1 1 A 82 82 LEU H H 82 9.233 7.823 1.410 1
1 883 . 2 1 1 A 82 82 LEU HA H 82 3.963 4.114 -0.151 1
1 893 . 2 1 1 A 82 82 LEU C C 82 178.293 178.367 -0.074 1
1 894 . 2 1 1 A 82 82 LEU CA C 82 57.959 57.928 0.031 1
1 895 . 2 1 1 A 82 82 LEU CB C 82 42.044 40.999 1.045 1
1 899 . 2 1 1 A 82 82 LEU N N 82 123.463 122.071 1.392 1
1 900 . 2 1 1 A 83 83 ALA H H 83 7.732 7.948 -0.216 1
1 901 . 2 1 1 A 83 83 ALA HA H 83 4.223 4.016 0.207 1
1 905 . 2 1 1 A 83 83 ALA C C 83 180.853 179.244 1.609 1
1 906 . 2 1 1 A 83 83 ALA CA C 83 54.944 54.452 0.492 1
1 907 . 2 1 1 A 83 83 ALA CB C 83 17.765 18.369 -0.604 1
1 908 . 2 1 1 A 83 83 ALA N N 83 120.956 119.694 1.262 1
1 909 . 2 1 1 A 84 84 ALA H H 84 7.716 7.766 -0.050 1
1 910 . 2 1 1 A 84 84 ALA HA H 84 4.135 4.248 -0.113 1
1 914 . 2 1 1 A 84 84 ALA C C 84 180.256 178.981 1.275 1
1 915 . 2 1 1 A 84 84 ALA CA C 84 55.234 54.571 0.663 1
1 916 . 2 1 1 A 84 84 ALA CB C 84 17.806 19.088 -1.282 1
1 917 . 2 1 1 A 84 84 ALA N N 84 121.082 119.575 1.507 1
1 918 . 2 1 1 A 85 85 TYR H H 85 8.453 8.300 0.153 1
1 919 . 2 1 1 A 85 85 TYR HA H 85 4.310 3.954 0.356 1
1 926 . 2 1 1 A 85 85 TYR C C 85 178.538 177.480 1.058 1
1 927 . 2 1 1 A 85 85 TYR CA C 85 60.862 62.198 -1.336 1
1 928 . 2 1 1 A 85 85 TYR CB C 85 38.444 38.769 -0.325 1
1 933 . 2 1 1 A 85 85 TYR N N 85 121.359 120.208 1.151 1
1 934 . 2 1 1 A 86 86 ARG H H 86 8.734 7.666 1.068 1
1 935 . 2 1 1 A 86 86 ARG HA H 86 3.713 3.475 0.238 1
1 942 . 2 1 1 A 86 86 ARG C C 86 178.962 179.132 -0.170 1
1 943 . 2 1 1 A 86 86 ARG CA C 86 59.454 59.376 0.078 1
1 944 . 2 1 1 A 86 86 ARG CB C 86 29.605 29.710 -0.105 1
1 947 . 2 1 1 A 86 86 ARG N N 86 119.740 118.012 1.728 1
1 948 . 2 1 1 A 87 87 ALA H H 87 7.853 8.330 -0.477 1
1 949 . 2 1 1 A 87 87 ALA HA H 87 4.195 4.014 0.181 1
1 953 . 2 1 1 A 87 87 ALA C C 87 179.605 180.025 -0.420 1
1 954 . 2 1 1 A 87 87 ALA CA C 87 54.353 54.939 -0.586 1
1 955 . 2 1 1 A 87 87 ALA CB C 87 17.971 18.195 -0.224 1
1 956 . 2 1 1 A 87 87 ALA N N 87 120.667 122.061 -1.394 1
1 957 . 2 1 1 A 88 88 SER H H 88 7.763 7.618 0.145 1
1 958 . 2 1 1 A 88 88 SER HA H 88 4.347 4.238 0.109 1
1 961 . 2 1 1 A 88 88 SER C C 88 175.219 176.822 -1.603 1
1 962 . 2 1 1 A 88 88 SER CA C 88 60.158 61.021 -0.863 1
1 963 . 2 1 1 A 88 88 SER CB C 88 63.440 63.065 0.375 1
1 964 . 2 1 1 A 88 88 SER N N 88 114.332 112.968 1.364 1
1 965 . 2 1 1 A 89 89 LEU H H 89 7.344 7.870 -0.526 1
1 966 . 2 1 1 A 89 89 LEU HA H 89 4.163 4.126 0.037 1
1 976 . 2 1 1 A 89 89 LEU C C 89 178.335 177.053 1.282 1
1 977 . 2 1 1 A 89 89 LEU CA C 89 56.059 57.594 -1.535 1
1 978 . 2 1 1 A 89 89 LEU CB C 89 42.062 42.086 -0.024 1
1 982 . 2 1 1 A 89 89 LEU N N 89 121.862 119.909 1.953 1
1 983 . 2 1 1 A 90 90 VAL H H 90 7.533 7.460 0.073 1
1 984 . 2 1 1 A 90 90 VAL HA H 90 4.063 4.044 0.019 1
1 992 . 2 1 1 A 90 90 VAL C C 90 176.743 176.180 0.563 1
1 993 . 2 1 1 A 90 90 VAL CA C 90 63.183 61.639 1.544 1
1 994 . 2 1 1 A 90 90 VAL CB C 90 32.318 33.277 -0.959 1
1 997 . 2 1 1 A 90 90 VAL N N 90 117.748 117.901 -0.153 1
1 998 . 2 1 1 A 91 91 SER H H 91 8.059 8.827 -0.768 1
1 999 . 2 1 1 A 91 91 SER HA H 91 4.415 4.238 0.177 1
1 1002 . 2 1 1 A 91 91 SER C C 91 174.854 174.970 -0.116 1
1 1003 . 2 1 1 A 91 91 SER CA C 91 58.861 62.143 -3.282 1
1 1004 . 2 1 1 A 91 91 SER CB C 91 63.810 63.386 0.424 1
1 1005 . 2 1 1 A 91 91 SER N N 91 117.663 117.378 0.285 1
1 1006 . 2 1 1 A 92 92 LYS H H 92 8.158 8.077 0.081 1
1 1007 . 2 1 1 A 92 92 LYS HA H 92 4.329 3.997 0.332 1
1 1010 . 2 1 1 A 92 92 LYS C C 92 176.528 175.999 0.529 1
1 1011 . 2 1 1 A 92 92 LYS CA C 92 56.551 57.174 -0.623 1
1 1012 . 2 1 1 A 92 92 LYS CB C 92 32.771 30.878 1.893 1
1 1016 . 2 1 1 A 92 92 LYS N N 92 122.827 120.338 2.489 1
1 1017 . 2 1 1 A 93 93 SER H H 93 8.186 8.403 -0.217 1
1 1018 . 2 1 1 A 93 93 SER HA H 93 4.444 4.681 -0.237 1
1 1021 . 2 1 1 A 93 93 SER C C 93 174.271 173.430 0.841 1
1 1022 . 2 1 1 A 93 93 SER CA C 93 58.504 57.677 0.827 1
1 1023 . 2 1 1 A 93 93 SER CB C 93 63.933 63.006 0.927 1
1 1024 . 2 1 1 A 93 93 SER N N 93 116.068 121.182 -5.114 1
1 1025 . 2 1 1 A 94 94 TYR H H 94 8.146 8.358 -0.212 1
1 1026 . 2 1 1 A 94 94 TYR HA H 94 4.658 4.689 -0.031 1
1 1033 . 2 1 1 A 94 94 TYR C C 94 176.011 175.022 0.989 1
1 1034 . 2 1 1 A 94 94 TYR CA C 94 58.135 59.261 -1.126 1
1 1035 . 2 1 1 A 94 94 TYR CB C 94 38.855 40.706 -1.851 1
1 1040 . 2 1 1 A 94 94 TYR N N 94 122.150 129.072 -6.922 1
1 1041 . 2 1 1 A 95 95 THR H H 95 8.024 8.059 -0.035 1
1 1042 . 2 1 1 A 95 95 THR HA H 95 4.333 4.776 -0.443 1
1 1047 . 2 1 1 A 95 95 THR C C 95 174.054 173.687 0.367 1
1 1048 . 2 1 1 A 95 95 THR CA C 95 61.740 59.774 1.966 1
1 1049 . 2 1 1 A 95 95 THR CB C 95 69.977 72.301 -2.324 1
1 1051 . 2 1 1 A 95 95 THR N N 95 115.298 111.300 3.998 1
1 1052 . 2 1 1 A 96 96 ASP H H 96 8.288 9.166 -0.878 1
1 1053 . 2 1 1 A 96 96 ASP HA H 96 4.663 4.806 -0.143 1
1 1056 . 2 1 1 A 96 96 ASP C C 96 176.252 175.957 0.295 1
1 1057 . 2 1 1 A 96 96 ASP CA C 96 54.494 55.745 -1.251 1
1 1058 . 2 1 1 A 96 96 ASP CB C 96 41.404 43.031 -1.627 1
1 1059 . 2 1 1 A 96 96 ASP N N 96 122.969 122.073 0.896 1
1 1060 . 2 1 1 A 97 97 SER H H 97 8.272 8.209 0.063 1
1 1061 . 2 1 1 A 97 97 SER HA H 97 4.500 4.296 0.204 1
1 1063 . 2 1 1 A 97 97 SER C C 97 174.845 173.053 1.792 1
1 1064 . 2 1 1 A 97 97 SER CA C 97 58.522 59.055 -0.533 1
1 1065 . 2 1 1 A 97 97 SER CB C 97 63.656 62.162 1.494 1
1 1066 . 2 1 1 A 97 97 SER N N 97 116.137 113.410 2.727 1
1 1067 . 2 1 1 A 98 98 GLY H H 98 8.289 8.733 -0.444 1
1 1068 . 2 1 1 A 98 98 GLY HA2 H 98 4.123 4.277 -0.154 1
1 1069 . 2 1 1 A 98 98 GLY HA3 H 98 4.123 4.278 -0.155 1
1 1070 . 2 1 1 A 98 98 GLY C C 98 171.920 172.324 -0.404 1
1 1071 . 2 1 1 A 98 98 GLY CA C 98 44.748 45.136 -0.388 1
1 1072 . 2 1 1 A 98 98 GLY N N 98 110.751 111.666 -0.915 1
1 1073 . 2 1 1 A 99 99 PRO HA H 99 4.490 4.628 -0.138 1
1 1080 . 2 1 1 A 99 99 PRO CA C 99 63.373 62.735 0.638 1
1 1081 . 2 1 1 A 99 99 PRO CB C 99 32.247 32.076 0.171 1
1 1 . 3 1 1 A 12 12 LYS HA H 12 4.317 4.721 -0.404 1
1 6 . 3 1 1 A 12 12 LYS C C 12 176.329 174.635 1.694 1
1 7 . 3 1 1 A 12 12 LYS CA C 12 56.223 56.026 0.197 1
1 8 . 3 1 1 A 12 12 LYS CB C 12 33.117 34.584 -1.467 1
1 12 . 3 1 1 A 13 13 LYS H H 13 8.394 8.743 -0.349 1
1 13 . 3 1 1 A 13 13 LYS HA H 13 4.273 4.803 -0.530 1
1 18 . 3 1 1 A 13 13 LYS C C 13 175.990 175.525 0.465 1
1 19 . 3 1 1 A 13 13 LYS CA C 13 56.222 54.817 1.405 1
1 20 . 3 1 1 A 13 13 LYS CB C 13 33.223 34.442 -1.219 1
1 24 . 3 1 1 A 13 13 LYS N N 13 123.900 126.091 -2.191 1
1 25 . 3 1 1 A 14 14 ASP H H 14 8.625 8.560 0.065 1
1 26 . 3 1 1 A 14 14 ASP HA H 14 4.902 4.710 0.192 1
1 29 . 3 1 1 A 14 14 ASP CA C 14 51.958 53.047 -1.089 1
1 30 . 3 1 1 A 14 14 ASP CB C 14 41.422 40.170 1.252 1
1 31 . 3 1 1 A 14 14 ASP N N 14 124.861 125.017 -0.156 1
1 32 . 3 1 1 A 15 15 PRO HA H 15 4.442 4.577 -0.135 1
1 39 . 3 1 1 A 15 15 PRO C C 15 176.634 175.108 1.526 1
1 40 . 3 1 1 A 15 15 PRO CA C 15 63.606 62.473 1.133 1
1 41 . 3 1 1 A 15 15 PRO CB C 15 32.323 32.909 -0.586 1
1 44 . 3 1 1 A 16 16 ASN H H 16 8.414 8.728 -0.314 1
1 45 . 3 1 1 A 16 16 ASN HA H 16 4.683 5.140 -0.457 1
1 50 . 3 1 1 A 16 16 ASN C C 16 174.365 172.806 1.559 1
1 51 . 3 1 1 A 16 16 ASN CA C 16 52.946 51.648 1.298 1
1 52 . 3 1 1 A 16 16 ASN CB C 16 39.266 41.416 -2.150 1
1 53 . 3 1 1 A 16 16 ASN N N 16 116.873 118.348 -1.475 1
1 55 . 3 1 1 A 17 17 GLU H H 17 7.712 7.831 -0.119 1
1 56 . 3 1 1 A 17 17 GLU HA H 17 3.233 2.835 0.398 1
1 61 . 3 1 1 A 17 17 GLU C C 17 174.415 175.001 -0.586 1
1 62 . 3 1 1 A 17 17 GLU CA C 17 54.423 54.056 0.367 1
1 63 . 3 1 1 A 17 17 GLU CB C 17 29.911 30.159 -0.248 1
1 65 . 3 1 1 A 17 17 GLU N N 17 122.673 120.268 2.405 1
1 66 . 3 1 1 A 18 18 PRO HA H 18 4.384 4.600 -0.216 1
1 73 . 3 1 1 A 18 18 PRO CA C 18 62.896 62.870 0.026 1
1 74 . 3 1 1 A 18 18 PRO CB C 18 31.963 32.435 -0.472 1
1 77 . 3 1 1 A 19 19 GLN H H 19 8.654 8.423 0.231 1
1 78 . 3 1 1 A 19 19 GLN HA H 19 4.293 4.602 -0.309 1
1 85 . 3 1 1 A 19 19 GLN C C 19 175.384 174.636 0.748 1
1 86 . 3 1 1 A 19 19 GLN CA C 19 55.057 54.461 0.596 1
1 87 . 3 1 1 A 19 19 GLN CB C 19 29.793 31.492 -1.699 1
1 89 . 3 1 1 A 19 19 GLN N N 19 122.106 120.111 1.995 1
1 91 . 3 1 1 A 20 20 LYS H H 20 8.383 8.068 0.315 1
1 92 . 3 1 1 A 20 20 LYS HA H 20 3.393 2.767 0.626 1
1 101 . 3 1 1 A 20 20 LYS C C 20 174.706 174.862 -0.156 1
1 102 . 3 1 1 A 20 20 LYS CA C 20 54.951 53.996 0.955 1
1 103 . 3 1 1 A 20 20 LYS CB C 20 31.802 32.715 -0.913 1
1 107 . 3 1 1 A 20 20 LYS N N 20 124.861 124.537 0.324 1
1 108 . 3 1 1 A 21 21 PRO HA H 21 4.500 4.441 0.059 1
1 115 . 3 1 1 A 21 21 PRO C C 21 176.741 176.592 0.149 1
1 116 . 3 1 1 A 21 21 PRO CA C 21 62.396 62.619 -0.223 1
1 117 . 3 1 1 A 21 21 PRO CB C 21 32.392 31.893 0.499 1
1 120 . 3 1 1 A 22 22 VAL H H 22 7.850 8.137 -0.287 1
1 121 . 3 1 1 A 22 22 VAL HA H 22 4.303 4.340 -0.037 1
1 129 . 3 1 1 A 22 22 VAL C C 22 175.615 175.644 -0.029 1
1 130 . 3 1 1 A 22 22 VAL CA C 22 60.967 60.458 0.509 1
1 131 . 3 1 1 A 22 22 VAL CB C 22 32.342 33.020 -0.678 1
1 134 . 3 1 1 A 22 22 VAL N N 22 115.924 117.406 -1.482 1
1 135 . 3 1 1 A 23 23 SER H H 23 8.125 8.340 -0.215 1
1 136 . 3 1 1 A 23 23 SER HA H 23 4.433 4.552 -0.119 1
1 139 . 3 1 1 A 23 23 SER C C 23 173.516 175.493 -1.977 1
1 140 . 3 1 1 A 23 23 SER CA C 23 57.590 58.476 -0.886 1
1 141 . 3 1 1 A 23 23 SER CB C 23 65.578 63.927 1.651 1
1 142 . 3 1 1 A 23 23 SER N N 23 116.922 118.190 -1.268 1
1 143 . 3 1 1 A 24 24 ALA H H 24 8.707 9.008 -0.301 1
1 144 . 3 1 1 A 24 24 ALA HA H 24 4.046 4.110 -0.064 1
1 148 . 3 1 1 A 24 24 ALA C C 24 178.727 179.114 -0.387 1
1 149 . 3 1 1 A 24 24 ALA CA C 24 55.971 55.470 0.501 1
1 150 . 3 1 1 A 24 24 ALA CB C 24 18.505 18.707 -0.202 1
1 151 . 3 1 1 A 24 24 ALA N N 24 123.025 129.246 -6.221 1
1 152 . 3 1 1 A 25 25 TYR H H 25 8.119 8.023 0.096 1
1 153 . 3 1 1 A 25 25 TYR HA H 25 2.678 2.294 0.384 1
1 160 . 3 1 1 A 25 25 TYR C C 25 176.253 177.625 -1.372 1
1 161 . 3 1 1 A 25 25 TYR CA C 25 60.281 60.804 -0.523 1
1 162 . 3 1 1 A 25 25 TYR CB C 25 37.951 37.870 0.081 1
1 167 . 3 1 1 A 25 25 TYR N N 25 115.954 119.232 -3.278 1
1 168 . 3 1 1 A 26 26 ALA H H 26 7.742 7.962 -0.220 1
1 169 . 3 1 1 A 26 26 ALA HA H 26 3.758 3.652 0.106 1
1 173 . 3 1 1 A 26 26 ALA C C 26 181.489 179.914 1.575 1
1 174 . 3 1 1 A 26 26 ALA CA C 26 54.859 54.710 0.149 1
1 175 . 3 1 1 A 26 26 ALA CB C 26 18.029 18.047 -0.018 1
1 176 . 3 1 1 A 26 26 ALA N N 26 121.384 121.424 -0.040 1
1 177 . 3 1 1 A 27 27 LEU H H 27 7.991 8.233 -0.242 1
1 178 . 3 1 1 A 27 27 LEU HA H 27 4.023 4.035 -0.012 1
1 188 . 3 1 1 A 27 27 LEU C C 27 178.625 177.401 1.224 1
1 189 . 3 1 1 A 27 27 LEU CA C 27 57.876 57.664 0.212 1
1 190 . 3 1 1 A 27 27 LEU CB C 27 42.103 41.311 0.792 1
1 194 . 3 1 1 A 27 27 LEU N N 27 120.626 118.613 2.013 1
1 195 . 3 1 1 A 28 28 PHE H H 28 7.706 7.428 0.278 1
1 196 . 3 1 1 A 28 28 PHE HA H 28 3.653 4.144 -0.491 1
1 204 . 3 1 1 A 28 28 PHE C C 28 178.640 177.360 1.280 1
1 205 . 3 1 1 A 28 28 PHE CA C 28 61.653 59.401 2.252 1
1 206 . 3 1 1 A 28 28 PHE CB C 28 39.060 39.557 -0.497 1
1 212 . 3 1 1 A 28 28 PHE N N 28 122.656 119.568 3.088 1
1 213 . 3 1 1 A 29 29 PHE H H 29 9.246 8.000 1.246 1
1 214 . 3 1 1 A 29 29 PHE HA H 29 3.483 3.856 -0.373 1
1 222 . 3 1 1 A 29 29 PHE C C 29 177.478 177.549 -0.071 1
1 223 . 3 1 1 A 29 29 PHE CA C 29 61.126 61.148 -0.022 1
1 224 . 3 1 1 A 29 29 PHE CB C 29 38.837 38.686 0.151 1
1 230 . 3 1 1 A 29 29 PHE N N 29 123.986 119.417 4.569 1
1 231 . 3 1 1 A 30 30 ARG H H 30 8.044 8.054 -0.010 1
1 232 . 3 1 1 A 30 30 ARG HA H 30 4.046 4.230 -0.184 1
1 239 . 3 1 1 A 30 30 ARG C C 30 179.156 177.068 2.088 1
1 240 . 3 1 1 A 30 30 ARG CA C 30 59.542 57.813 1.729 1
1 241 . 3 1 1 A 30 30 ARG CB C 30 30.053 29.319 0.734 1
1 244 . 3 1 1 A 30 30 ARG N N 30 119.141 118.206 0.935 1
1 245 . 3 1 1 A 31 31 ASP H H 31 7.712 7.988 -0.276 1
1 246 . 3 1 1 A 31 31 ASP HA H 31 4.523 4.590 -0.067 1
1 249 . 3 1 1 A 31 31 ASP C C 31 177.850 178.429 -0.579 1
1 250 . 3 1 1 A 31 31 ASP CA C 31 56.516 56.244 0.272 1
1 251 . 3 1 1 A 31 31 ASP CB C 31 40.664 41.313 -0.649 1
1 252 . 3 1 1 A 31 31 ASP N N 31 118.527 119.101 -0.574 1
1 253 . 3 1 1 A 32 32 THR H H 32 7.704 7.243 0.461 1
1 254 . 3 1 1 A 32 32 THR HA H 32 3.953 3.842 0.111 1
1 259 . 3 1 1 A 32 32 THR C C 32 175.637 175.674 -0.037 1
1 260 . 3 1 1 A 32 32 THR CA C 32 65.030 66.216 -1.186 1
1 261 . 3 1 1 A 32 32 THR CB C 32 69.195 68.558 0.637 1
1 263 . 3 1 1 A 32 32 THR N N 32 115.935 116.023 -0.088 1
1 264 . 3 1 1 A 33 33 GLN H H 33 8.361 7.775 0.586 1
1 265 . 3 1 1 A 33 33 GLN HA H 33 3.373 3.718 -0.345 1
1 272 . 3 1 1 A 33 33 GLN C C 33 176.526 177.947 -1.421 1
1 273 . 3 1 1 A 33 33 GLN CA C 33 60.000 58.974 1.026 1
1 274 . 3 1 1 A 33 33 GLN CB C 33 26.827 28.438 -1.611 1
1 276 . 3 1 1 A 33 33 GLN N N 33 120.539 119.641 0.898 1
1 278 . 3 1 1 A 34 34 ALA H H 34 8.053 8.129 -0.076 1
1 279 . 3 1 1 A 34 34 ALA HA H 34 3.964 4.012 -0.048 1
1 283 . 3 1 1 A 34 34 ALA C C 34 180.762 179.716 1.046 1
1 284 . 3 1 1 A 34 34 ALA CA C 34 55.338 55.079 0.259 1
1 285 . 3 1 1 A 34 34 ALA CB C 34 17.724 18.521 -0.797 1
1 286 . 3 1 1 A 34 34 ALA N N 34 120.505 120.787 -0.282 1
1 287 . 3 1 1 A 35 35 ALA H H 35 7.763 8.015 -0.252 1
1 288 . 3 1 1 A 35 35 ALA HA H 35 4.135 4.060 0.075 1
1 292 . 3 1 1 A 35 35 ALA C C 35 180.801 179.539 1.262 1
1 293 . 3 1 1 A 35 35 ALA CA C 35 54.635 55.015 -0.380 1
1 294 . 3 1 1 A 35 35 ALA CB C 35 17.888 18.558 -0.670 1
1 295 . 3 1 1 A 35 35 ALA N N 35 122.109 120.848 1.261 1
1 296 . 3 1 1 A 36 36 ILE H H 36 7.673 7.910 -0.237 1
1 297 . 3 1 1 A 36 36 ILE HA H 36 3.753 3.633 0.120 1
1 307 . 3 1 1 A 36 36 ILE C C 36 179.213 177.780 1.433 1
1 308 . 3 1 1 A 36 36 ILE CA C 36 62.955 65.287 -2.332 1
1 309 . 3 1 1 A 36 36 ILE CB C 36 36.388 38.082 -1.694 1
1 313 . 3 1 1 A 36 36 ILE N N 36 118.252 118.964 -0.712 1
1 314 . 3 1 1 A 37 37 LYS H H 37 8.444 8.239 0.205 1
1 315 . 3 1 1 A 37 37 LYS HA H 37 3.982 4.212 -0.230 1
1 324 . 3 1 1 A 37 37 LYS C C 37 178.872 179.383 -0.511 1
1 325 . 3 1 1 A 37 37 LYS CA C 37 58.715 59.740 -1.025 1
1 326 . 3 1 1 A 37 37 LYS CB C 37 31.802 32.284 -0.482 1
1 330 . 3 1 1 A 37 37 LYS N N 37 121.415 119.383 2.032 1
1 331 . 3 1 1 A 38 38 GLY H H 38 7.873 8.057 -0.184 1
1 332 . 3 1 1 A 38 38 GLY HA2 H 38 3.849 3.852 -0.003 1
1 333 . 3 1 1 A 38 38 GLY HA3 H 38 3.849 3.855 -0.006 1
1 334 . 3 1 1 A 38 38 GLY C C 38 175.341 175.227 0.114 1
1 335 . 3 1 1 A 38 38 GLY CA C 38 46.490 47.234 -0.744 1
1 336 . 3 1 1 A 38 38 GLY N N 38 104.723 107.145 -2.422 1
1 337 . 3 1 1 A 39 39 GLN H H 39 7.288 7.494 -0.206 1
1 338 . 3 1 1 A 39 39 GLN HA H 39 4.313 4.388 -0.075 1
1 345 . 3 1 1 A 39 39 GLN C C 39 175.814 175.864 -0.050 1
1 346 . 3 1 1 A 39 39 GLN CA C 39 56.482 56.176 0.306 1
1 347 . 3 1 1 A 39 39 GLN CB C 39 30.074 30.165 -0.091 1
1 349 . 3 1 1 A 39 39 GLN N N 39 117.295 118.052 -0.757 1
1 351 . 3 1 1 A 40 40 ASN H H 40 7.780 8.191 -0.411 1
1 352 . 3 1 1 A 40 40 ASN HA H 40 5.159 5.220 -0.061 1
1 357 . 3 1 1 A 40 40 ASN C C 40 172.428 173.588 -1.160 1
1 358 . 3 1 1 A 40 40 ASN CA C 40 50.877 50.255 0.622 1
1 359 . 3 1 1 A 40 40 ASN CB C 40 39.595 38.934 0.661 1
1 360 . 3 1 1 A 40 40 ASN N N 40 115.989 117.465 -1.476 1
1 362 . 3 1 1 A 41 41 PRO HA H 41 4.523 4.341 0.182 1
1 369 . 3 1 1 A 41 41 PRO C C 41 177.550 178.443 -0.893 1
1 370 . 3 1 1 A 41 41 PRO CA C 41 64.837 64.709 0.128 1
1 371 . 3 1 1 A 41 41 PRO CB C 41 32.073 31.979 0.094 1
1 374 . 3 1 1 A 42 42 ASN H H 42 8.363 8.927 -0.564 1
1 375 . 3 1 1 A 42 42 ASN HA H 42 4.853 4.506 0.347 1
1 380 . 3 1 1 A 42 42 ASN C C 42 175.387 176.739 -1.352 1
1 381 . 3 1 1 A 42 42 ASN CA C 42 52.753 55.675 -2.922 1
1 382 . 3 1 1 A 42 42 ASN CB C 42 38.879 38.121 0.758 1
1 383 . 3 1 1 A 42 42 ASN N N 42 114.677 116.293 -1.616 1
1 385 . 3 1 1 A 43 43 ALA H H 43 7.533 7.559 -0.026 1
1 386 . 3 1 1 A 43 43 ALA HA H 43 4.443 4.325 0.118 1
1 390 . 3 1 1 A 43 43 ALA C C 43 178.490 177.554 0.936 1
1 391 . 3 1 1 A 43 43 ALA CA C 43 52.647 52.456 0.191 1
1 392 . 3 1 1 A 43 43 ALA CB C 43 19.314 18.953 0.361 1
1 393 . 3 1 1 A 43 43 ALA N N 43 124.307 122.262 2.045 1
1 394 . 3 1 1 A 44 44 THR H H 44 8.698 8.684 0.014 1
1 395 . 3 1 1 A 44 44 THR HA H 44 4.482 4.824 -0.342 1
1 400 . 3 1 1 A 44 44 THR C C 44 175.408 175.312 0.096 1
1 401 . 3 1 1 A 44 44 THR CA C 44 60.791 60.945 -0.154 1
1 402 . 3 1 1 A 44 44 THR CB C 44 71.516 70.972 0.544 1
1 404 . 3 1 1 A 44 44 THR N N 44 114.309 115.714 -1.405 1
1 405 . 3 1 1 A 45 45 PHE HA H 45 4.303 4.164 0.139 1
1 410 . 3 1 1 A 45 45 PHE CA C 45 61.982 61.741 0.241 1
1 411 . 3 1 1 A 45 45 PHE CB C 45 38.942 40.056 -1.114 1
1 414 . 3 1 1 A 46 46 GLY HA2 H 46 3.962 3.402 0.560 1
1 415 . 3 1 1 A 46 46 GLY HA3 H 46 3.745 3.602 0.143 1
1 416 . 3 1 1 A 46 46 GLY C C 46 176.621 175.801 0.820 1
1 417 . 3 1 1 A 46 46 GLY CA C 46 46.930 47.080 -0.150 1
1 418 . 3 1 1 A 47 47 GLU H H 47 7.692 8.045 -0.353 1
1 419 . 3 1 1 A 47 47 GLU HA H 47 4.053 4.012 0.041 1
1 424 . 3 1 1 A 47 47 GLU C C 47 179.472 179.112 0.360 1
1 425 . 3 1 1 A 47 47 GLU CA C 47 59.296 59.538 -0.242 1
1 426 . 3 1 1 A 47 47 GLU CB C 47 29.769 29.483 0.286 1
1 428 . 3 1 1 A 47 47 GLU N N 47 123.040 121.747 1.293 1
1 429 . 3 1 1 A 48 48 VAL H H 48 8.504 8.015 0.489 1
1 430 . 3 1 1 A 48 48 VAL HA H 48 3.413 3.527 -0.114 1
1 438 . 3 1 1 A 48 48 VAL C C 48 177.640 178.204 -0.564 1
1 439 . 3 1 1 A 48 48 VAL CA C 48 67.159 66.624 0.535 1
1 440 . 3 1 1 A 48 48 VAL CB C 48 31.820 31.633 0.187 1
1 443 . 3 1 1 A 48 48 VAL N N 48 120.194 120.700 -0.506 1
1 444 . 3 1 1 A 49 49 SER H H 49 8.442 8.209 0.233 1
1 445 . 3 1 1 A 49 49 SER HA H 49 4.093 4.145 -0.052 1
1 448 . 3 1 1 A 49 49 SER C C 49 176.016 176.445 -0.429 1
1 449 . 3 1 1 A 49 49 SER CA C 49 62.500 61.303 1.197 1
1 450 . 3 1 1 A 49 49 SER CB C 49 62.653 62.410 0.243 1
1 451 . 3 1 1 A 49 49 SER N N 49 113.484 114.105 -0.621 1
1 452 . 3 1 1 A 50 50 LYS H H 50 7.474 7.732 -0.258 1
1 453 . 3 1 1 A 50 50 LYS HA H 50 4.132 4.030 0.102 1
1 462 . 3 1 1 A 50 50 LYS C C 50 179.463 178.720 0.743 1
1 463 . 3 1 1 A 50 50 LYS CA C 50 59.525 58.979 0.546 1
1 464 . 3 1 1 A 50 50 LYS CB C 50 32.606 32.176 0.430 1
1 468 . 3 1 1 A 50 50 LYS N N 50 120.865 121.034 -0.169 1
1 469 . 3 1 1 A 51 51 ILE H H 51 7.853 7.563 0.290 1
1 470 . 3 1 1 A 51 51 ILE HA H 51 3.793 3.829 -0.036 1
1 480 . 3 1 1 A 51 51 ILE C C 51 179.105 178.206 0.899 1
1 481 . 3 1 1 A 51 51 ILE CA C 51 65.488 64.482 1.006 1
1 482 . 3 1 1 A 51 51 ILE CB C 51 38.603 37.637 0.966 1
1 486 . 3 1 1 A 51 51 ILE N N 51 121.720 119.862 1.858 1
1 487 . 3 1 1 A 52 52 VAL H H 52 8.703 8.385 0.318 1
1 488 . 3 1 1 A 52 52 VAL HA H 52 3.659 3.615 0.044 1
1 496 . 3 1 1 A 52 52 VAL C C 52 178.262 178.075 0.187 1
1 497 . 3 1 1 A 52 52 VAL CA C 52 67.388 66.714 0.674 1
1 498 . 3 1 1 A 52 52 VAL CB C 52 31.185 31.447 -0.262 1
1 501 . 3 1 1 A 52 52 VAL N N 52 121.006 120.532 0.474 1
1 502 . 3 1 1 A 53 53 ALA H H 53 8.343 8.534 -0.191 1
1 503 . 3 1 1 A 53 53 ALA HA H 53 4.412 4.387 0.025 1
1 507 . 3 1 1 A 53 53 ALA C C 53 180.884 180.057 0.827 1
1 508 . 3 1 1 A 53 53 ALA CA C 53 56.271 55.930 0.341 1
1 509 . 3 1 1 A 53 53 ALA CB C 53 17.888 18.859 -0.971 1
1 510 . 3 1 1 A 53 53 ALA N N 53 122.645 122.423 0.222 1
1 511 . 3 1 1 A 54 54 SER H H 54 7.905 8.261 -0.356 1
1 512 . 3 1 1 A 54 54 SER HA H 54 4.415 4.200 0.215 1
1 515 . 3 1 1 A 54 54 SER C C 54 177.818 176.944 0.874 1
1 516 . 3 1 1 A 54 54 SER CA C 54 61.635 61.848 -0.213 1
1 517 . 3 1 1 A 54 54 SER CB C 54 62.947 63.172 -0.225 1
1 518 . 3 1 1 A 54 54 SER N N 54 114.062 114.479 -0.417 1
1 519 . 3 1 1 A 55 55 MET H H 55 8.553 8.446 0.107 1
1 520 . 3 1 1 A 55 55 MET HA H 55 4.194 4.152 0.042 1
1 528 . 3 1 1 A 55 55 MET C C 55 179.156 178.526 0.630 1
1 529 . 3 1 1 A 55 55 MET CA C 55 59.190 58.891 0.299 1
1 530 . 3 1 1 A 55 55 MET CB C 55 33.551 33.396 0.155 1
1 533 . 3 1 1 A 55 55 MET N N 55 123.394 119.834 3.560 1
1 534 . 3 1 1 A 56 56 TRP H H 56 8.864 8.908 -0.044 1
1 535 . 3 1 1 A 56 56 TRP HA H 56 3.899 3.743 0.156 1
1 544 . 3 1 1 A 56 56 TRP C C 56 178.213 178.221 -0.008 1
1 545 . 3 1 1 A 56 56 TRP CA C 56 59.806 61.082 -1.276 1
1 546 . 3 1 1 A 56 56 TRP CB C 56 30.281 29.334 0.947 1
1 552 . 3 1 1 A 56 56 TRP N N 56 121.428 122.584 -1.156 1
1 554 . 3 1 1 A 57 57 ASP H H 57 8.061 8.378 -0.317 1
1 555 . 3 1 1 A 57 57 ASP HA H 57 4.253 4.293 -0.040 1
1 558 . 3 1 1 A 57 57 ASP C C 57 178.103 177.931 0.172 1
1 559 . 3 1 1 A 57 57 ASP CA C 57 57.186 57.002 0.184 1
1 560 . 3 1 1 A 57 57 ASP CB C 57 40.705 40.258 0.447 1
1 561 . 3 1 1 A 57 57 ASP N N 57 117.661 118.993 -1.332 1
1 562 . 3 1 1 A 58 58 GLY H H 58 7.481 7.863 -0.382 1
1 563 . 3 1 1 A 58 58 GLY HA2 H 58 4.202 3.911 0.291 1
1 564 . 3 1 1 A 58 58 GLY HA3 H 58 3.672 3.937 -0.265 1
1 565 . 3 1 1 A 58 58 GLY C C 58 174.062 174.236 -0.174 1
1 566 . 3 1 1 A 58 58 GLY CA C 58 44.872 45.233 -0.361 1
1 567 . 3 1 1 A 58 58 GLY N N 58 103.794 106.992 -3.198 1
1 568 . 3 1 1 A 59 59 LEU H H 59 7.153 6.982 0.171 1
1 569 . 3 1 1 A 59 59 LEU HA H 59 4.123 3.991 0.132 1
1 579 . 3 1 1 A 59 59 LEU C C 59 177.880 177.341 0.539 1
1 580 . 3 1 1 A 59 59 LEU CA C 59 55.114 55.386 -0.272 1
1 581 . 3 1 1 A 59 59 LEU CB C 59 43.149 42.175 0.974 1
1 585 . 3 1 1 A 59 59 LEU N N 59 123.874 121.218 2.656 1
1 586 . 3 1 1 A 60 60 GLY H H 60 8.523 8.158 0.365 1
1 587 . 3 1 1 A 60 60 GLY HA2 H 60 4.091 3.977 0.114 1
1 588 . 3 1 1 A 60 60 GLY HA3 H 60 3.993 3.991 0.002 1
1 589 . 3 1 1 A 60 60 GLY C C 60 174.634 174.807 -0.173 1
1 590 . 3 1 1 A 60 60 GLY CA C 60 44.995 45.238 -0.243 1
1 591 . 3 1 1 A 60 60 GLY N N 60 110.475 109.435 1.040 1
1 592 . 3 1 1 A 61 61 GLU H H 61 8.743 8.580 0.163 1
1 593 . 3 1 1 A 61 61 GLU HA H 61 3.873 3.791 0.082 1
1 598 . 3 1 1 A 61 61 GLU C C 61 178.841 178.547 0.294 1
1 599 . 3 1 1 A 61 61 GLU CA C 61 59.577 59.437 0.140 1
1 600 . 3 1 1 A 61 61 GLU CB C 61 29.299 29.255 0.044 1
1 602 . 3 1 1 A 61 61 GLU N N 61 122.609 121.768 0.841 1
1 603 . 3 1 1 A 62 62 GLU H H 62 9.063 8.298 0.765 1
1 604 . 3 1 1 A 62 62 GLU HA H 62 4.033 4.383 -0.350 1
1 609 . 3 1 1 A 62 62 GLU C C 62 179.086 178.913 0.173 1
1 610 . 3 1 1 A 62 62 GLU CA C 62 59.841 59.489 0.352 1
1 611 . 3 1 1 A 62 62 GLU CB C 62 28.660 29.286 -0.626 1
1 613 . 3 1 1 A 62 62 GLU N N 62 118.089 119.137 -1.048 1
1 614 . 3 1 1 A 63 63 GLN H H 63 7.563 8.155 -0.592 1
1 615 . 3 1 1 A 63 63 GLN HA H 63 4.282 4.061 0.221 1
1 622 . 3 1 1 A 63 63 GLN C C 63 179.406 178.939 0.467 1
1 623 . 3 1 1 A 63 63 GLN CA C 63 59.050 58.301 0.749 1
1 624 . 3 1 1 A 63 63 GLN CB C 63 29.089 28.323 0.766 1
1 626 . 3 1 1 A 63 63 GLN N N 63 118.216 119.256 -1.040 1
1 628 . 3 1 1 A 64 64 LYS H H 64 8.193 7.883 0.310 1
1 629 . 3 1 1 A 64 64 LYS HA H 64 3.933 3.926 0.007 1
1 638 . 3 1 1 A 64 64 LYS C C 64 179.858 179.234 0.624 1
1 639 . 3 1 1 A 64 64 LYS CA C 64 60.774 59.283 1.491 1
1 640 . 3 1 1 A 64 64 LYS CB C 64 33.100 32.120 0.980 1
1 644 . 3 1 1 A 64 64 LYS N N 64 119.928 120.588 -0.660 1
1 645 . 3 1 1 A 65 65 GLN H H 65 8.459 8.260 0.199 1
1 646 . 3 1 1 A 65 65 GLN HA H 65 4.056 4.150 -0.094 1
1 653 . 3 1 1 A 65 65 GLN C C 65 177.751 178.220 -0.469 1
1 654 . 3 1 1 A 65 65 GLN CA C 65 58.891 58.605 0.286 1
1 655 . 3 1 1 A 65 65 GLN CB C 65 28.167 28.540 -0.373 1
1 657 . 3 1 1 A 65 65 GLN N N 65 117.874 118.141 -0.267 1
1 659 . 3 1 1 A 66 66 VAL H H 66 7.408 7.860 -0.452 1
1 660 . 3 1 1 A 66 66 VAL HA H 66 3.653 3.688 -0.035 1
1 668 . 3 1 1 A 66 66 VAL C C 66 178.900 177.526 1.374 1
1 669 . 3 1 1 A 66 66 VAL CA C 66 66.860 65.229 1.631 1
1 670 . 3 1 1 A 66 66 VAL CB C 66 31.784 30.830 0.954 1
1 673 . 3 1 1 A 66 66 VAL N N 66 119.348 120.200 -0.852 1
1 674 . 3 1 1 A 67 67 TYR H H 67 7.229 7.632 -0.403 1
1 675 . 3 1 1 A 67 67 TYR HA H 67 4.151 4.368 -0.217 1
1 682 . 3 1 1 A 67 67 TYR C C 67 178.776 178.595 0.181 1
1 683 . 3 1 1 A 67 67 TYR CA C 67 63.307 60.927 2.380 1
1 684 . 3 1 1 A 67 67 TYR CB C 67 39.308 38.276 1.032 1
1 689 . 3 1 1 A 67 67 TYR N N 67 117.638 121.002 -3.364 1
1 690 . 3 1 1 A 68 68 LYS H H 68 8.554 8.101 0.453 1
1 691 . 3 1 1 A 68 68 LYS HA H 68 4.195 4.475 -0.280 1
1 698 . 3 1 1 A 68 68 LYS C C 68 179.468 179.622 -0.154 1
1 699 . 3 1 1 A 68 68 LYS CA C 68 60.703 59.120 1.583 1
1 700 . 3 1 1 A 68 68 LYS CB C 68 32.154 32.565 -0.411 1
1 704 . 3 1 1 A 68 68 LYS N N 68 121.795 120.561 1.234 1
1 705 . 3 1 1 A 69 69 LYS H H 69 8.883 7.990 0.893 1
1 706 . 3 1 1 A 69 69 LYS HA H 69 4.171 4.164 0.007 1
1 715 . 3 1 1 A 69 69 LYS C C 69 180.214 178.180 2.034 1
1 716 . 3 1 1 A 69 69 LYS CA C 69 59.824 58.816 1.008 1
1 717 . 3 1 1 A 69 69 LYS CB C 69 32.072 32.310 -0.238 1
1 721 . 3 1 1 A 69 69 LYS N N 69 120.539 119.803 0.736 1
1 722 . 3 1 1 A 70 70 LYS H H 70 7.791 7.616 0.175 1
1 723 . 3 1 1 A 70 70 LYS HA H 70 4.211 4.192 0.019 1
1 732 . 3 1 1 A 70 70 LYS C C 70 179.985 179.287 0.698 1
1 733 . 3 1 1 A 70 70 LYS CA C 70 60.017 58.854 1.163 1
1 734 . 3 1 1 A 70 70 LYS CB C 70 33.200 32.231 0.969 1
1 738 . 3 1 1 A 70 70 LYS N N 70 119.946 118.346 1.600 1
1 739 . 3 1 1 A 71 71 THR H H 71 8.002 7.966 0.036 1
1 740 . 3 1 1 A 71 71 THR HA H 71 4.301 3.912 0.389 1
1 745 . 3 1 1 A 71 71 THR C C 71 176.462 176.551 -0.089 1
1 746 . 3 1 1 A 71 71 THR CA C 71 66.402 67.209 -0.807 1
1 747 . 3 1 1 A 71 71 THR CB C 71 68.949 68.609 0.340 1
1 749 . 3 1 1 A 71 71 THR N N 71 116.183 116.409 -0.226 1
1 750 . 3 1 1 A 72 72 GLU H H 72 8.295 8.174 0.121 1
1 751 . 3 1 1 A 72 72 GLU HA H 72 4.143 4.053 0.090 1
1 756 . 3 1 1 A 72 72 GLU C C 72 179.498 178.294 1.204 1
1 757 . 3 1 1 A 72 72 GLU CA C 72 59.665 59.310 0.355 1
1 758 . 3 1 1 A 72 72 GLU CB C 72 29.400 29.089 0.311 1
1 760 . 3 1 1 A 72 72 GLU N N 72 123.438 119.338 4.100 1
1 761 . 3 1 1 A 73 73 ALA H H 73 8.063 7.944 0.119 1
1 762 . 3 1 1 A 73 73 ALA HA H 73 4.262 4.210 0.052 1
1 766 . 3 1 1 A 73 73 ALA C C 73 180.639 178.482 2.157 1
1 767 . 3 1 1 A 73 73 ALA CA C 73 55.268 53.866 1.402 1
1 768 . 3 1 1 A 73 73 ALA CB C 73 17.824 18.191 -0.367 1
1 769 . 3 1 1 A 73 73 ALA N N 73 122.231 121.699 0.532 1
1 770 . 3 1 1 A 74 74 ALA H H 74 8.093 7.580 0.513 1
1 771 . 3 1 1 A 74 74 ALA HA H 74 4.320 4.276 0.044 1
1 775 . 3 1 1 A 74 74 ALA C C 74 181.394 179.636 1.758 1
1 776 . 3 1 1 A 74 74 ALA CA C 74 54.904 53.844 1.060 1
1 777 . 3 1 1 A 74 74 ALA CB C 74 18.313 19.189 -0.876 1
1 778 . 3 1 1 A 74 74 ALA N N 74 121.882 119.596 2.286 1
1 779 . 3 1 1 A 75 75 LYS H H 75 8.661 8.059 0.602 1
1 780 . 3 1 1 A 75 75 LYS HA H 75 4.053 4.199 -0.146 1
1 786 . 3 1 1 A 75 75 LYS C C 75 178.096 178.736 -0.640 1
1 787 . 3 1 1 A 75 75 LYS CA C 75 60.510 59.390 1.120 1
1 788 . 3 1 1 A 75 75 LYS CB C 75 32.236 32.411 -0.175 1
1 792 . 3 1 1 A 75 75 LYS N N 75 121.652 118.147 3.505 1
1 793 . 3 1 1 A 76 76 LYS H H 76 7.855 7.791 0.064 1
1 794 . 3 1 1 A 76 76 LYS HA H 76 4.110 3.924 0.186 1
1 799 . 3 1 1 A 76 76 LYS C C 76 179.822 179.251 0.571 1
1 800 . 3 1 1 A 76 76 LYS CA C 76 59.993 60.124 -0.131 1
1 801 . 3 1 1 A 76 76 LYS CB C 76 32.401 32.271 0.130 1
1 805 . 3 1 1 A 76 76 LYS N N 76 119.219 118.327 0.892 1
1 806 . 3 1 1 A 77 77 GLU H H 77 7.880 8.255 -0.375 1
1 807 . 3 1 1 A 77 77 GLU HA H 77 4.233 4.120 0.113 1
1 812 . 3 1 1 A 77 77 GLU C C 77 178.358 178.425 -0.067 1
1 813 . 3 1 1 A 77 77 GLU CA C 77 58.980 59.405 -0.425 1
1 814 . 3 1 1 A 77 77 GLU CB C 77 29.235 29.254 -0.019 1
1 816 . 3 1 1 A 77 77 GLU N N 77 119.640 118.252 1.388 1
1 817 . 3 1 1 A 78 78 TYR H H 78 8.391 7.986 0.405 1
1 818 . 3 1 1 A 78 78 TYR HA H 78 4.413 4.088 0.325 1
1 825 . 3 1 1 A 78 78 TYR C C 78 176.737 177.068 -0.331 1
1 826 . 3 1 1 A 78 78 TYR CA C 78 60.809 61.336 -0.527 1
1 827 . 3 1 1 A 78 78 TYR CB C 78 38.239 38.919 -0.680 1
1 832 . 3 1 1 A 78 78 TYR N N 78 121.464 122.258 -0.794 1
1 833 . 3 1 1 A 79 79 LEU H H 79 8.203 7.762 0.441 1
1 834 . 3 1 1 A 79 79 LEU HA H 79 3.764 3.535 0.229 1
1 844 . 3 1 1 A 79 79 LEU C C 79 180.728 178.978 1.750 1
1 845 . 3 1 1 A 79 79 LEU CA C 79 58.170 57.544 0.626 1
1 846 . 3 1 1 A 79 79 LEU CB C 79 41.445 41.752 -0.307 1
1 850 . 3 1 1 A 79 79 LEU N N 79 118.433 119.491 -1.058 1
1 851 . 3 1 1 A 80 80 LYS H H 80 7.523 7.740 -0.217 1
1 852 . 3 1 1 A 80 80 LYS HA H 80 4.134 3.886 0.248 1
1 861 . 3 1 1 A 80 80 LYS C C 80 179.804 179.857 -0.053 1
1 862 . 3 1 1 A 80 80 LYS CA C 80 59.630 60.200 -0.570 1
1 863 . 3 1 1 A 80 80 LYS CB C 80 32.400 32.345 0.055 1
1 867 . 3 1 1 A 80 80 LYS N N 80 120.723 117.327 3.396 1
1 868 . 3 1 1 A 81 81 GLN H H 81 8.473 8.360 0.113 1
1 869 . 3 1 1 A 81 81 GLN HA H 81 4.144 3.930 0.214 1
1 876 . 3 1 1 A 81 81 GLN C C 81 179.906 178.365 1.541 1
1 877 . 3 1 1 A 81 81 GLN CA C 81 58.628 59.155 -0.527 1
1 878 . 3 1 1 A 81 81 GLN CB C 81 28.273 28.102 0.171 1
1 880 . 3 1 1 A 81 81 GLN N N 81 120.899 119.059 1.840 1
1 882 . 3 1 1 A 82 82 LEU H H 82 9.233 7.854 1.379 1
1 883 . 3 1 1 A 82 82 LEU HA H 82 3.963 4.173 -0.210 1
1 893 . 3 1 1 A 82 82 LEU C C 82 178.293 178.393 -0.100 1
1 894 . 3 1 1 A 82 82 LEU CA C 82 57.959 58.131 -0.172 1
1 895 . 3 1 1 A 82 82 LEU CB C 82 42.044 41.206 0.838 1
1 899 . 3 1 1 A 82 82 LEU N N 82 123.463 122.191 1.272 1
1 900 . 3 1 1 A 83 83 ALA H H 83 7.732 7.910 -0.178 1
1 901 . 3 1 1 A 83 83 ALA HA H 83 4.223 3.955 0.268 1
1 905 . 3 1 1 A 83 83 ALA C C 83 180.853 179.572 1.281 1
1 906 . 3 1 1 A 83 83 ALA CA C 83 54.944 55.274 -0.330 1
1 907 . 3 1 1 A 83 83 ALA CB C 83 17.765 18.119 -0.354 1
1 908 . 3 1 1 A 83 83 ALA N N 83 120.956 120.491 0.465 1
1 909 . 3 1 1 A 84 84 ALA H H 84 7.716 7.794 -0.078 1
1 910 . 3 1 1 A 84 84 ALA HA H 84 4.135 4.153 -0.018 1
1 914 . 3 1 1 A 84 84 ALA C C 84 180.256 179.181 1.075 1
1 915 . 3 1 1 A 84 84 ALA CA C 84 55.234 54.944 0.290 1
1 916 . 3 1 1 A 84 84 ALA CB C 84 17.806 18.617 -0.811 1
1 917 . 3 1 1 A 84 84 ALA N N 84 121.082 119.963 1.119 1
1 918 . 3 1 1 A 85 85 TYR H H 85 8.453 8.260 0.193 1
1 919 . 3 1 1 A 85 85 TYR HA H 85 4.310 4.058 0.252 1
1 926 . 3 1 1 A 85 85 TYR C C 85 178.538 177.870 0.668 1
1 927 . 3 1 1 A 85 85 TYR CA C 85 60.862 61.925 -1.063 1
1 928 . 3 1 1 A 85 85 TYR CB C 85 38.444 39.010 -0.566 1
1 933 . 3 1 1 A 85 85 TYR N N 85 121.359 120.149 1.210 1
1 934 . 3 1 1 A 86 86 ARG H H 86 8.734 7.870 0.864 1
1 935 . 3 1 1 A 86 86 ARG HA H 86 3.713 3.683 0.030 1
1 942 . 3 1 1 A 86 86 ARG C C 86 178.962 178.671 0.291 1
1 943 . 3 1 1 A 86 86 ARG CA C 86 59.454 59.445 0.009 1
1 944 . 3 1 1 A 86 86 ARG CB C 86 29.605 29.911 -0.306 1
1 947 . 3 1 1 A 86 86 ARG N N 86 119.740 118.840 0.900 1
1 948 . 3 1 1 A 87 87 ALA H H 87 7.853 8.209 -0.356 1
1 949 . 3 1 1 A 87 87 ALA HA H 87 4.195 4.043 0.152 1
1 953 . 3 1 1 A 87 87 ALA C C 87 179.605 179.695 -0.090 1
1 954 . 3 1 1 A 87 87 ALA CA C 87 54.353 55.052 -0.699 1
1 955 . 3 1 1 A 87 87 ALA CB C 87 17.971 18.552 -0.581 1
1 956 . 3 1 1 A 87 87 ALA N N 87 120.667 122.256 -1.589 1
1 957 . 3 1 1 A 88 88 SER H H 88 7.763 7.482 0.281 1
1 958 . 3 1 1 A 88 88 SER HA H 88 4.347 4.206 0.141 1
1 961 . 3 1 1 A 88 88 SER C C 88 175.219 177.289 -2.070 1
1 962 . 3 1 1 A 88 88 SER CA C 88 60.158 61.376 -1.218 1
1 963 . 3 1 1 A 88 88 SER CB C 88 63.440 62.741 0.699 1
1 964 . 3 1 1 A 88 88 SER N N 88 114.332 113.730 0.602 1
1 965 . 3 1 1 A 89 89 LEU H H 89 7.344 7.671 -0.327 1
1 966 . 3 1 1 A 89 89 LEU HA H 89 4.163 3.899 0.264 1
1 976 . 3 1 1 A 89 89 LEU C C 89 178.335 177.275 1.060 1
1 977 . 3 1 1 A 89 89 LEU CA C 89 56.059 57.925 -1.866 1
1 978 . 3 1 1 A 89 89 LEU CB C 89 42.062 41.690 0.372 1
1 982 . 3 1 1 A 89 89 LEU N N 89 121.862 119.824 2.038 1
1 983 . 3 1 1 A 90 90 VAL H H 90 7.533 7.726 -0.193 1
1 984 . 3 1 1 A 90 90 VAL HA H 90 4.063 4.123 -0.060 1
1 992 . 3 1 1 A 90 90 VAL C C 90 176.743 175.310 1.433 1
1 993 . 3 1 1 A 90 90 VAL CA C 90 63.183 61.937 1.246 1
1 994 . 3 1 1 A 90 90 VAL CB C 90 32.318 32.641 -0.323 1
1 997 . 3 1 1 A 90 90 VAL N N 90 117.748 117.311 0.437 1
1 998 . 3 1 1 A 91 91 SER H H 91 8.059 8.832 -0.773 1
1 999 . 3 1 1 A 91 91 SER HA H 91 4.415 4.729 -0.314 1
1 1002 . 3 1 1 A 91 91 SER C C 91 174.854 174.264 0.590 1
1 1003 . 3 1 1 A 91 91 SER CA C 91 58.861 56.355 2.506 1
1 1004 . 3 1 1 A 91 91 SER CB C 91 63.810 65.330 -1.520 1
1 1005 . 3 1 1 A 91 91 SER N N 91 117.663 121.102 -3.439 1
1 1006 . 3 1 1 A 92 92 LYS H H 92 8.158 8.783 -0.625 1
1 1007 . 3 1 1 A 92 92 LYS HA H 92 4.329 4.183 0.146 1
1 1010 . 3 1 1 A 92 92 LYS C C 92 176.528 174.946 1.582 1
1 1011 . 3 1 1 A 92 92 LYS CA C 92 56.551 57.683 -1.132 1
1 1012 . 3 1 1 A 92 92 LYS CB C 92 32.771 31.832 0.939 1
1 1016 . 3 1 1 A 92 92 LYS N N 92 122.827 124.064 -1.237 1
1 1017 . 3 1 1 A 93 93 SER H H 93 8.186 8.634 -0.448 1
1 1018 . 3 1 1 A 93 93 SER HA H 93 4.444 4.999 -0.555 1
1 1021 . 3 1 1 A 93 93 SER C C 93 174.271 171.958 2.313 1
1 1022 . 3 1 1 A 93 93 SER CA C 93 58.504 56.723 1.781 1
1 1023 . 3 1 1 A 93 93 SER CB C 93 63.933 65.409 -1.476 1
1 1024 . 3 1 1 A 93 93 SER N N 93 116.068 119.855 -3.787 1
1 1025 . 3 1 1 A 94 94 TYR H H 94 8.146 8.676 -0.530 1
1 1026 . 3 1 1 A 94 94 TYR HA H 94 4.658 5.385 -0.727 1
1 1033 . 3 1 1 A 94 94 TYR C C 94 176.011 174.198 1.813 1
1 1034 . 3 1 1 A 94 94 TYR CA C 94 58.135 55.613 2.522 1
1 1035 . 3 1 1 A 94 94 TYR CB C 94 38.855 39.624 -0.769 1
1 1040 . 3 1 1 A 94 94 TYR N N 94 122.150 119.125 3.025 1
1 1041 . 3 1 1 A 95 95 THR H H 95 8.024 8.621 -0.597 1
1 1042 . 3 1 1 A 95 95 THR HA H 95 4.333 4.413 -0.080 1
1 1047 . 3 1 1 A 95 95 THR C C 95 174.054 173.821 0.233 1
1 1048 . 3 1 1 A 95 95 THR CA C 95 61.740 62.412 -0.672 1
1 1049 . 3 1 1 A 95 95 THR CB C 95 69.977 71.379 -1.402 1
1 1051 . 3 1 1 A 95 95 THR N N 95 115.298 118.548 -3.250 1
1 1052 . 3 1 1 A 96 96 ASP H H 96 8.288 8.093 0.195 1
1 1053 . 3 1 1 A 96 96 ASP HA H 96 4.663 4.614 0.049 1
1 1056 . 3 1 1 A 96 96 ASP C C 96 176.252 173.907 2.345 1
1 1057 . 3 1 1 A 96 96 ASP CA C 96 54.494 56.363 -1.869 1
1 1058 . 3 1 1 A 96 96 ASP CB C 96 41.404 39.680 1.724 1
1 1059 . 3 1 1 A 96 96 ASP N N 96 122.969 120.427 2.542 1
1 1060 . 3 1 1 A 97 97 SER H H 97 8.272 8.352 -0.080 1
1 1061 . 3 1 1 A 97 97 SER HA H 97 4.500 4.984 -0.484 1
1 1063 . 3 1 1 A 97 97 SER C C 97 174.845 172.860 1.985 1
1 1064 . 3 1 1 A 97 97 SER CA C 97 58.522 58.004 0.518 1
1 1065 . 3 1 1 A 97 97 SER CB C 97 63.656 65.459 -1.803 1
1 1066 . 3 1 1 A 97 97 SER N N 97 116.137 114.175 1.962 1
1 1067 . 3 1 1 A 98 98 GLY H H 98 8.289 8.644 -0.355 1
1 1068 . 3 1 1 A 98 98 GLY HA2 H 98 4.123 4.481 -0.358 1
1 1069 . 3 1 1 A 98 98 GLY HA3 H 98 4.123 4.482 -0.359 1
1 1070 . 3 1 1 A 98 98 GLY C C 98 171.920 173.642 -1.722 1
1 1071 . 3 1 1 A 98 98 GLY CA C 98 44.748 45.242 -0.494 1
1 1072 . 3 1 1 A 98 98 GLY N N 98 110.751 114.797 -4.046 1
1 1073 . 3 1 1 A 99 99 PRO HA H 99 4.490 4.270 0.220 1
1 1080 . 3 1 1 A 99 99 PRO CA C 99 63.373 64.809 -1.436 1
1 1081 . 3 1 1 A 99 99 PRO CB C 99 32.247 31.914 0.333 1
1 1 . 4 1 1 A 12 12 LYS HA H 12 4.317 4.618 -0.301 1
1 6 . 4 1 1 A 12 12 LYS C C 12 176.329 176.381 -0.052 1
1 7 . 4 1 1 A 12 12 LYS CA C 12 56.223 55.717 0.506 1
1 8 . 4 1 1 A 12 12 LYS CB C 12 33.117 33.434 -0.317 1
1 12 . 4 1 1 A 13 13 LYS H H 13 8.394 7.828 0.566 1
1 13 . 4 1 1 A 13 13 LYS HA H 13 4.273 3.887 0.386 1
1 18 . 4 1 1 A 13 13 LYS C C 13 175.990 175.833 0.157 1
1 19 . 4 1 1 A 13 13 LYS CA C 13 56.222 59.509 -3.287 1
1 20 . 4 1 1 A 13 13 LYS CB C 13 33.223 31.920 1.303 1
1 24 . 4 1 1 A 13 13 LYS N N 13 123.900 121.179 2.721 1
1 25 . 4 1 1 A 14 14 ASP H H 14 8.625 8.026 0.599 1
1 26 . 4 1 1 A 14 14 ASP HA H 14 4.902 4.348 0.554 1
1 29 . 4 1 1 A 14 14 ASP CA C 14 51.958 54.800 -2.842 1
1 30 . 4 1 1 A 14 14 ASP CB C 14 41.422 39.353 2.069 1
1 31 . 4 1 1 A 14 14 ASP N N 14 124.861 117.077 7.784 1
1 32 . 4 1 1 A 15 15 PRO HA H 15 4.442 4.394 0.048 1
1 39 . 4 1 1 A 15 15 PRO C C 15 176.634 178.298 -1.664 1
1 40 . 4 1 1 A 15 15 PRO CA C 15 63.606 63.997 -0.391 1
1 41 . 4 1 1 A 15 15 PRO CB C 15 32.323 31.987 0.336 1
1 44 . 4 1 1 A 16 16 ASN H H 16 8.414 8.533 -0.119 1
1 45 . 4 1 1 A 16 16 ASN HA H 16 4.683 4.492 0.191 1
1 50 . 4 1 1 A 16 16 ASN C C 16 174.365 176.320 -1.955 1
1 51 . 4 1 1 A 16 16 ASN CA C 16 52.946 56.466 -3.520 1
1 52 . 4 1 1 A 16 16 ASN CB C 16 39.266 38.595 0.671 1
1 53 . 4 1 1 A 16 16 ASN N N 16 116.873 117.561 -0.688 1
1 55 . 4 1 1 A 17 17 GLU H H 17 7.712 8.062 -0.350 1
1 56 . 4 1 1 A 17 17 GLU HA H 17 3.233 3.999 -0.766 1
1 61 . 4 1 1 A 17 17 GLU C C 17 174.415 174.682 -0.267 1
1 62 . 4 1 1 A 17 17 GLU CA C 17 54.423 55.074 -0.651 1
1 63 . 4 1 1 A 17 17 GLU CB C 17 29.911 29.101 0.810 1
1 65 . 4 1 1 A 17 17 GLU N N 17 122.673 118.235 4.438 1
1 66 . 4 1 1 A 18 18 PRO HA H 18 4.384 4.452 -0.068 1
1 73 . 4 1 1 A 18 18 PRO CA C 18 62.896 62.589 0.307 1
1 74 . 4 1 1 A 18 18 PRO CB C 18 31.963 31.974 -0.011 1
1 77 . 4 1 1 A 19 19 GLN H H 19 8.654 8.480 0.174 1
1 78 . 4 1 1 A 19 19 GLN HA H 19 4.293 4.536 -0.243 1
1 85 . 4 1 1 A 19 19 GLN C C 19 175.384 175.326 0.058 1
1 86 . 4 1 1 A 19 19 GLN CA C 19 55.057 55.705 -0.648 1
1 87 . 4 1 1 A 19 19 GLN CB C 19 29.793 29.406 0.387 1
1 89 . 4 1 1 A 19 19 GLN N N 19 122.106 120.933 1.173 1
1 91 . 4 1 1 A 20 20 LYS H H 20 8.383 8.377 0.006 1
1 92 . 4 1 1 A 20 20 LYS HA H 20 3.393 3.011 0.382 1
1 101 . 4 1 1 A 20 20 LYS C C 20 174.706 175.058 -0.352 1
1 102 . 4 1 1 A 20 20 LYS CA C 20 54.951 53.639 1.312 1
1 103 . 4 1 1 A 20 20 LYS CB C 20 31.802 32.023 -0.221 1
1 107 . 4 1 1 A 20 20 LYS N N 20 124.861 126.127 -1.266 1
1 108 . 4 1 1 A 21 21 PRO HA H 21 4.500 4.578 -0.078 1
1 115 . 4 1 1 A 21 21 PRO C C 21 176.741 176.219 0.522 1
1 116 . 4 1 1 A 21 21 PRO CA C 21 62.396 62.352 0.044 1
1 117 . 4 1 1 A 21 21 PRO CB C 21 32.392 32.392 0.000 1
1 120 . 4 1 1 A 22 22 VAL H H 22 7.850 8.199 -0.349 1
1 121 . 4 1 1 A 22 22 VAL HA H 22 4.303 4.701 -0.398 1
1 129 . 4 1 1 A 22 22 VAL C C 22 175.615 174.965 0.650 1
1 130 . 4 1 1 A 22 22 VAL CA C 22 60.967 59.144 1.823 1
1 131 . 4 1 1 A 22 22 VAL CB C 22 32.342 35.196 -2.854 1
1 134 . 4 1 1 A 22 22 VAL N N 22 115.924 115.551 0.373 1
1 135 . 4 1 1 A 23 23 SER H H 23 8.125 8.513 -0.388 1
1 136 . 4 1 1 A 23 23 SER HA H 23 4.433 4.350 0.083 1
1 139 . 4 1 1 A 23 23 SER C C 23 173.516 175.768 -2.252 1
1 140 . 4 1 1 A 23 23 SER CA C 23 57.590 58.569 -0.979 1
1 141 . 4 1 1 A 23 23 SER CB C 23 65.578 63.804 1.774 1
1 142 . 4 1 1 A 23 23 SER N N 23 116.922 118.715 -1.793 1
1 143 . 4 1 1 A 24 24 ALA H H 24 8.707 8.997 -0.290 1
1 144 . 4 1 1 A 24 24 ALA HA H 24 4.046 4.236 -0.190 1
1 148 . 4 1 1 A 24 24 ALA C C 24 178.727 179.060 -0.333 1
1 149 . 4 1 1 A 24 24 ALA CA C 24 55.971 55.324 0.647 1
1 150 . 4 1 1 A 24 24 ALA CB C 24 18.505 18.639 -0.134 1
1 151 . 4 1 1 A 24 24 ALA N N 24 123.025 129.152 -6.127 1
1 152 . 4 1 1 A 25 25 TYR H H 25 8.119 8.105 0.014 1
1 153 . 4 1 1 A 25 25 TYR HA H 25 2.678 2.217 0.461 1
1 160 . 4 1 1 A 25 25 TYR C C 25 176.253 177.371 -1.118 1
1 161 . 4 1 1 A 25 25 TYR CA C 25 60.281 60.589 -0.308 1
1 162 . 4 1 1 A 25 25 TYR CB C 25 37.951 37.920 0.031 1
1 167 . 4 1 1 A 25 25 TYR N N 25 115.954 119.231 -3.277 1
1 168 . 4 1 1 A 26 26 ALA H H 26 7.742 7.600 0.142 1
1 169 . 4 1 1 A 26 26 ALA HA H 26 3.758 3.686 0.072 1
1 173 . 4 1 1 A 26 26 ALA C C 26 181.489 179.789 1.700 1
1 174 . 4 1 1 A 26 26 ALA CA C 26 54.859 54.224 0.635 1
1 175 . 4 1 1 A 26 26 ALA CB C 26 18.029 18.515 -0.486 1
1 176 . 4 1 1 A 26 26 ALA N N 26 121.384 121.161 0.223 1
1 177 . 4 1 1 A 27 27 LEU H H 27 7.991 8.028 -0.037 1
1 178 . 4 1 1 A 27 27 LEU HA H 27 4.023 4.001 0.022 1
1 188 . 4 1 1 A 27 27 LEU C C 27 178.625 177.526 1.099 1
1 189 . 4 1 1 A 27 27 LEU CA C 27 57.876 57.482 0.394 1
1 190 . 4 1 1 A 27 27 LEU CB C 27 42.103 41.490 0.613 1
1 194 . 4 1 1 A 27 27 LEU N N 27 120.626 119.271 1.355 1
1 195 . 4 1 1 A 28 28 PHE H H 28 7.706 7.325 0.381 1
1 196 . 4 1 1 A 28 28 PHE HA H 28 3.653 4.057 -0.404 1
1 204 . 4 1 1 A 28 28 PHE C C 28 178.640 177.465 1.175 1
1 205 . 4 1 1 A 28 28 PHE CA C 28 61.653 59.516 2.137 1
1 206 . 4 1 1 A 28 28 PHE CB C 28 39.060 39.607 -0.547 1
1 212 . 4 1 1 A 28 28 PHE N N 28 122.656 119.838 2.818 1
1 213 . 4 1 1 A 29 29 PHE H H 29 9.246 7.911 1.335 1
1 214 . 4 1 1 A 29 29 PHE HA H 29 3.483 3.758 -0.275 1
1 222 . 4 1 1 A 29 29 PHE C C 29 177.478 177.591 -0.113 1
1 223 . 4 1 1 A 29 29 PHE CA C 29 61.126 60.550 0.576 1
1 224 . 4 1 1 A 29 29 PHE CB C 29 38.837 38.613 0.224 1
1 230 . 4 1 1 A 29 29 PHE N N 29 123.986 119.428 4.558 1
1 231 . 4 1 1 A 30 30 ARG H H 30 8.044 8.100 -0.056 1
1 232 . 4 1 1 A 30 30 ARG HA H 30 4.046 4.175 -0.129 1
1 239 . 4 1 1 A 30 30 ARG C C 30 179.156 177.774 1.382 1
1 240 . 4 1 1 A 30 30 ARG CA C 30 59.542 58.328 1.214 1
1 241 . 4 1 1 A 30 30 ARG CB C 30 30.053 29.607 0.446 1
1 244 . 4 1 1 A 30 30 ARG N N 30 119.141 118.384 0.757 1
1 245 . 4 1 1 A 31 31 ASP H H 31 7.712 7.989 -0.277 1
1 246 . 4 1 1 A 31 31 ASP HA H 31 4.523 4.425 0.098 1
1 249 . 4 1 1 A 31 31 ASP C C 31 177.850 177.685 0.165 1
1 250 . 4 1 1 A 31 31 ASP CA C 31 56.516 56.499 0.017 1
1 251 . 4 1 1 A 31 31 ASP CB C 31 40.664 40.861 -0.197 1
1 252 . 4 1 1 A 31 31 ASP N N 31 118.527 120.582 -2.055 1
1 253 . 4 1 1 A 32 32 THR H H 32 7.704 6.919 0.785 1
1 254 . 4 1 1 A 32 32 THR HA H 32 3.953 4.005 -0.052 1
1 259 . 4 1 1 A 32 32 THR C C 32 175.637 175.742 -0.105 1
1 260 . 4 1 1 A 32 32 THR CA C 32 65.030 65.084 -0.054 1
1 261 . 4 1 1 A 32 32 THR CB C 32 69.195 68.831 0.364 1
1 263 . 4 1 1 A 32 32 THR N N 32 115.935 114.016 1.919 1
1 264 . 4 1 1 A 33 33 GLN H H 33 8.361 8.104 0.257 1
1 265 . 4 1 1 A 33 33 GLN HA H 33 3.373 3.602 -0.229 1
1 272 . 4 1 1 A 33 33 GLN C C 33 176.526 177.959 -1.433 1
1 273 . 4 1 1 A 33 33 GLN CA C 33 60.000 58.807 1.193 1
1 274 . 4 1 1 A 33 33 GLN CB C 33 26.827 28.030 -1.203 1
1 276 . 4 1 1 A 33 33 GLN N N 33 120.539 119.624 0.915 1
1 278 . 4 1 1 A 34 34 ALA H H 34 8.053 7.872 0.181 1
1 279 . 4 1 1 A 34 34 ALA HA H 34 3.964 4.034 -0.070 1
1 283 . 4 1 1 A 34 34 ALA C C 34 180.762 179.876 0.886 1
1 284 . 4 1 1 A 34 34 ALA CA C 34 55.338 55.008 0.330 1
1 285 . 4 1 1 A 34 34 ALA CB C 34 17.724 17.971 -0.247 1
1 286 . 4 1 1 A 34 34 ALA N N 34 120.505 120.605 -0.100 1
1 287 . 4 1 1 A 35 35 ALA H H 35 7.763 8.048 -0.285 1
1 288 . 4 1 1 A 35 35 ALA HA H 35 4.135 4.052 0.083 1
1 292 . 4 1 1 A 35 35 ALA C C 35 180.801 179.593 1.208 1
1 293 . 4 1 1 A 35 35 ALA CA C 35 54.635 55.074 -0.439 1
1 294 . 4 1 1 A 35 35 ALA CB C 35 17.888 18.578 -0.690 1
1 295 . 4 1 1 A 35 35 ALA N N 35 122.109 120.659 1.450 1
1 296 . 4 1 1 A 36 36 ILE H H 36 7.673 8.085 -0.412 1
1 297 . 4 1 1 A 36 36 ILE HA H 36 3.753 3.616 0.137 1
1 307 . 4 1 1 A 36 36 ILE C C 36 179.213 177.650 1.563 1
1 308 . 4 1 1 A 36 36 ILE CA C 36 62.955 65.138 -2.183 1
1 309 . 4 1 1 A 36 36 ILE CB C 36 36.388 37.970 -1.582 1
1 313 . 4 1 1 A 36 36 ILE N N 36 118.252 119.239 -0.987 1
1 314 . 4 1 1 A 37 37 LYS H H 37 8.444 8.127 0.317 1
1 315 . 4 1 1 A 37 37 LYS HA H 37 3.982 4.102 -0.120 1
1 324 . 4 1 1 A 37 37 LYS C C 37 178.872 179.430 -0.558 1
1 325 . 4 1 1 A 37 37 LYS CA C 37 58.715 59.697 -0.982 1
1 326 . 4 1 1 A 37 37 LYS CB C 37 31.802 32.134 -0.332 1
1 330 . 4 1 1 A 37 37 LYS N N 37 121.415 119.385 2.030 1
1 331 . 4 1 1 A 38 38 GLY H H 38 7.873 8.068 -0.195 1
1 332 . 4 1 1 A 38 38 GLY HA2 H 38 3.849 3.830 0.019 1
1 333 . 4 1 1 A 38 38 GLY HA3 H 38 3.849 3.831 0.018 1
1 334 . 4 1 1 A 38 38 GLY C C 38 175.341 175.453 -0.112 1
1 335 . 4 1 1 A 38 38 GLY CA C 38 46.490 47.211 -0.721 1
1 336 . 4 1 1 A 38 38 GLY N N 38 104.723 107.100 -2.377 1
1 337 . 4 1 1 A 39 39 GLN H H 39 7.288 7.488 -0.200 1
1 338 . 4 1 1 A 39 39 GLN HA H 39 4.313 4.332 -0.019 1
1 345 . 4 1 1 A 39 39 GLN C C 39 175.814 175.862 -0.048 1
1 346 . 4 1 1 A 39 39 GLN CA C 39 56.482 56.260 0.222 1
1 347 . 4 1 1 A 39 39 GLN CB C 39 30.074 30.050 0.024 1
1 349 . 4 1 1 A 39 39 GLN N N 39 117.295 118.112 -0.817 1
1 351 . 4 1 1 A 40 40 ASN H H 40 7.780 8.074 -0.294 1
1 352 . 4 1 1 A 40 40 ASN HA H 40 5.159 5.189 -0.030 1
1 357 . 4 1 1 A 40 40 ASN C C 40 172.428 173.526 -1.098 1
1 358 . 4 1 1 A 40 40 ASN CA C 40 50.877 50.213 0.664 1
1 359 . 4 1 1 A 40 40 ASN CB C 40 39.595 38.800 0.795 1
1 360 . 4 1 1 A 40 40 ASN N N 40 115.989 117.534 -1.545 1
1 362 . 4 1 1 A 41 41 PRO HA H 41 4.523 4.297 0.226 1
1 369 . 4 1 1 A 41 41 PRO C C 41 177.550 177.803 -0.253 1
1 370 . 4 1 1 A 41 41 PRO CA C 41 64.837 64.403 0.434 1
1 371 . 4 1 1 A 41 41 PRO CB C 41 32.073 31.906 0.167 1
1 374 . 4 1 1 A 42 42 ASN H H 42 8.363 8.300 0.063 1
1 375 . 4 1 1 A 42 42 ASN HA H 42 4.853 4.509 0.344 1
1 380 . 4 1 1 A 42 42 ASN C C 42 175.387 176.295 -0.908 1
1 381 . 4 1 1 A 42 42 ASN CA C 42 52.753 55.763 -3.010 1
1 382 . 4 1 1 A 42 42 ASN CB C 42 38.879 38.355 0.524 1
1 383 . 4 1 1 A 42 42 ASN N N 42 114.677 114.979 -0.302 1
1 385 . 4 1 1 A 43 43 ALA H H 43 7.533 7.263 0.270 1
1 386 . 4 1 1 A 43 43 ALA HA H 43 4.443 4.260 0.183 1
1 390 . 4 1 1 A 43 43 ALA C C 43 178.490 177.267 1.223 1
1 391 . 4 1 1 A 43 43 ALA CA C 43 52.647 51.776 0.871 1
1 392 . 4 1 1 A 43 43 ALA CB C 43 19.314 18.950 0.364 1
1 393 . 4 1 1 A 43 43 ALA N N 43 124.307 121.528 2.779 1
1 394 . 4 1 1 A 44 44 THR H H 44 8.698 8.567 0.131 1
1 395 . 4 1 1 A 44 44 THR HA H 44 4.482 4.492 -0.010 1
1 400 . 4 1 1 A 44 44 THR C C 44 175.408 176.091 -0.683 1
1 401 . 4 1 1 A 44 44 THR CA C 44 60.791 61.106 -0.315 1
1 402 . 4 1 1 A 44 44 THR CB C 44 71.516 70.986 0.530 1
1 404 . 4 1 1 A 44 44 THR N N 44 114.309 116.997 -2.688 1
1 405 . 4 1 1 A 45 45 PHE HA H 45 4.303 4.169 0.134 1
1 410 . 4 1 1 A 45 45 PHE CA C 45 61.982 60.807 1.175 1
1 411 . 4 1 1 A 45 45 PHE CB C 45 38.942 38.750 0.192 1
1 414 . 4 1 1 A 46 46 GLY HA2 H 46 3.962 3.788 0.174 1
1 415 . 4 1 1 A 46 46 GLY HA3 H 46 3.745 3.810 -0.065 1
1 416 . 4 1 1 A 46 46 GLY C C 46 176.621 176.589 0.032 1
1 417 . 4 1 1 A 46 46 GLY CA C 46 46.930 47.223 -0.293 1
1 418 . 4 1 1 A 47 47 GLU H H 47 7.692 8.322 -0.630 1
1 419 . 4 1 1 A 47 47 GLU HA H 47 4.053 4.168 -0.115 1
1 424 . 4 1 1 A 47 47 GLU C C 47 179.472 179.065 0.407 1
1 425 . 4 1 1 A 47 47 GLU CA C 47 59.296 59.295 0.001 1
1 426 . 4 1 1 A 47 47 GLU CB C 47 29.769 30.005 -0.236 1
1 428 . 4 1 1 A 47 47 GLU N N 47 123.040 121.888 1.152 1
1 429 . 4 1 1 A 48 48 VAL H H 48 8.504 8.170 0.334 1
1 430 . 4 1 1 A 48 48 VAL HA H 48 3.413 3.562 -0.149 1
1 438 . 4 1 1 A 48 48 VAL C C 48 177.640 178.355 -0.715 1
1 439 . 4 1 1 A 48 48 VAL CA C 48 67.159 66.583 0.576 1
1 440 . 4 1 1 A 48 48 VAL CB C 48 31.820 31.640 0.180 1
1 443 . 4 1 1 A 48 48 VAL N N 48 120.194 120.645 -0.451 1
1 444 . 4 1 1 A 49 49 SER H H 49 8.442 8.397 0.045 1
1 445 . 4 1 1 A 49 49 SER HA H 49 4.093 4.427 -0.334 1
1 448 . 4 1 1 A 49 49 SER C C 49 176.016 176.515 -0.499 1
1 449 . 4 1 1 A 49 49 SER CA C 49 62.500 61.765 0.735 1
1 450 . 4 1 1 A 49 49 SER CB C 49 62.653 62.694 -0.041 1
1 451 . 4 1 1 A 49 49 SER N N 49 113.484 114.351 -0.867 1
1 452 . 4 1 1 A 50 50 LYS H H 50 7.474 7.674 -0.200 1
1 453 . 4 1 1 A 50 50 LYS HA H 50 4.132 4.133 -0.001 1
1 462 . 4 1 1 A 50 50 LYS C C 50 179.463 178.798 0.665 1
1 463 . 4 1 1 A 50 50 LYS CA C 50 59.525 59.242 0.283 1
1 464 . 4 1 1 A 50 50 LYS CB C 50 32.606 32.321 0.285 1
1 468 . 4 1 1 A 50 50 LYS N N 50 120.865 121.292 -0.427 1
1 469 . 4 1 1 A 51 51 ILE H H 51 7.853 7.694 0.159 1
1 470 . 4 1 1 A 51 51 ILE HA H 51 3.793 3.842 -0.049 1
1 480 . 4 1 1 A 51 51 ILE C C 51 179.105 178.103 1.002 1
1 481 . 4 1 1 A 51 51 ILE CA C 51 65.488 64.541 0.947 1
1 482 . 4 1 1 A 51 51 ILE CB C 51 38.603 38.063 0.540 1
1 486 . 4 1 1 A 51 51 ILE N N 51 121.720 120.036 1.684 1
1 487 . 4 1 1 A 52 52 VAL H H 52 8.703 8.163 0.540 1
1 488 . 4 1 1 A 52 52 VAL HA H 52 3.659 3.627 0.032 1
1 496 . 4 1 1 A 52 52 VAL C C 52 178.262 178.192 0.070 1
1 497 . 4 1 1 A 52 52 VAL CA C 52 67.388 66.914 0.474 1
1 498 . 4 1 1 A 52 52 VAL CB C 52 31.185 31.590 -0.405 1
1 501 . 4 1 1 A 52 52 VAL N N 52 121.006 120.154 0.852 1
1 502 . 4 1 1 A 53 53 ALA H H 53 8.343 8.635 -0.292 1
1 503 . 4 1 1 A 53 53 ALA HA H 53 4.412 4.229 0.183 1
1 507 . 4 1 1 A 53 53 ALA C C 53 180.884 180.032 0.852 1
1 508 . 4 1 1 A 53 53 ALA CA C 53 56.271 55.391 0.880 1
1 509 . 4 1 1 A 53 53 ALA CB C 53 17.888 18.314 -0.426 1
1 510 . 4 1 1 A 53 53 ALA N N 53 122.645 121.980 0.665 1
1 511 . 4 1 1 A 54 54 SER H H 54 7.905 8.422 -0.517 1
1 512 . 4 1 1 A 54 54 SER HA H 54 4.415 4.288 0.127 1
1 515 . 4 1 1 A 54 54 SER C C 54 177.818 177.493 0.325 1
1 516 . 4 1 1 A 54 54 SER CA C 54 61.635 61.466 0.169 1
1 517 . 4 1 1 A 54 54 SER CB C 54 62.947 62.667 0.280 1
1 518 . 4 1 1 A 54 54 SER N N 54 114.062 113.138 0.924 1
1 519 . 4 1 1 A 55 55 MET H H 55 8.553 8.822 -0.269 1
1 520 . 4 1 1 A 55 55 MET HA H 55 4.194 4.368 -0.174 1
1 528 . 4 1 1 A 55 55 MET C C 55 179.156 178.575 0.581 1
1 529 . 4 1 1 A 55 55 MET CA C 55 59.190 58.563 0.627 1
1 530 . 4 1 1 A 55 55 MET CB C 55 33.551 33.597 -0.046 1
1 533 . 4 1 1 A 55 55 MET N N 55 123.394 119.128 4.266 1
1 534 . 4 1 1 A 56 56 TRP H H 56 8.864 9.083 -0.219 1
1 535 . 4 1 1 A 56 56 TRP HA H 56 3.899 3.912 -0.013 1
1 544 . 4 1 1 A 56 56 TRP C C 56 178.213 178.548 -0.335 1
1 545 . 4 1 1 A 56 56 TRP CA C 56 59.806 61.577 -1.771 1
1 546 . 4 1 1 A 56 56 TRP CB C 56 30.281 29.686 0.595 1
1 552 . 4 1 1 A 56 56 TRP N N 56 121.428 122.832 -1.404 1
1 554 . 4 1 1 A 57 57 ASP H H 57 8.061 7.948 0.113 1
1 555 . 4 1 1 A 57 57 ASP HA H 57 4.253 4.340 -0.087 1
1 558 . 4 1 1 A 57 57 ASP C C 57 178.103 177.473 0.630 1
1 559 . 4 1 1 A 57 57 ASP CA C 57 57.186 57.456 -0.270 1
1 560 . 4 1 1 A 57 57 ASP CB C 57 40.705 40.797 -0.092 1
1 561 . 4 1 1 A 57 57 ASP N N 57 117.661 118.983 -1.322 1
1 562 . 4 1 1 A 58 58 GLY H H 58 7.481 7.808 -0.327 1
1 563 . 4 1 1 A 58 58 GLY HA2 H 58 4.202 3.928 0.274 1
1 564 . 4 1 1 A 58 58 GLY HA3 H 58 3.672 3.969 -0.297 1
1 565 . 4 1 1 A 58 58 GLY C C 58 174.062 172.953 1.109 1
1 566 . 4 1 1 A 58 58 GLY CA C 58 44.872 45.368 -0.496 1
1 567 . 4 1 1 A 58 58 GLY N N 58 103.794 106.107 -2.313 1
1 568 . 4 1 1 A 59 59 LEU H H 59 7.153 7.464 -0.311 1
1 569 . 4 1 1 A 59 59 LEU HA H 59 4.123 4.283 -0.160 1
1 579 . 4 1 1 A 59 59 LEU C C 59 177.880 177.276 0.604 1
1 580 . 4 1 1 A 59 59 LEU CA C 59 55.114 53.921 1.193 1
1 581 . 4 1 1 A 59 59 LEU CB C 59 43.149 42.668 0.481 1
1 585 . 4 1 1 A 59 59 LEU N N 59 123.874 122.309 1.565 1
1 586 . 4 1 1 A 60 60 GLY H H 60 8.523 8.162 0.361 1
1 587 . 4 1 1 A 60 60 GLY HA2 H 60 4.091 3.986 0.105 1
1 588 . 4 1 1 A 60 60 GLY HA3 H 60 3.993 3.995 -0.002 1
1 589 . 4 1 1 A 60 60 GLY C C 60 174.634 175.320 -0.686 1
1 590 . 4 1 1 A 60 60 GLY CA C 60 44.995 45.371 -0.376 1
1 591 . 4 1 1 A 60 60 GLY N N 60 110.475 108.039 2.436 1
1 592 . 4 1 1 A 61 61 GLU H H 61 8.743 8.773 -0.030 1
1 593 . 4 1 1 A 61 61 GLU HA H 61 3.873 3.773 0.100 1
1 598 . 4 1 1 A 61 61 GLU C C 61 178.841 178.190 0.651 1
1 599 . 4 1 1 A 61 61 GLU CA C 61 59.577 59.887 -0.310 1
1 600 . 4 1 1 A 61 61 GLU CB C 61 29.299 29.536 -0.237 1
1 602 . 4 1 1 A 61 61 GLU N N 61 122.609 124.082 -1.473 1
1 603 . 4 1 1 A 62 62 GLU H H 62 9.063 8.426 0.637 1
1 604 . 4 1 1 A 62 62 GLU HA H 62 4.033 4.056 -0.023 1
1 609 . 4 1 1 A 62 62 GLU C C 62 179.086 179.348 -0.262 1
1 610 . 4 1 1 A 62 62 GLU CA C 62 59.841 59.271 0.570 1
1 611 . 4 1 1 A 62 62 GLU CB C 62 28.660 29.206 -0.546 1
1 613 . 4 1 1 A 62 62 GLU N N 62 118.089 118.958 -0.869 1
1 614 . 4 1 1 A 63 63 GLN H H 63 7.563 8.227 -0.664 1
1 615 . 4 1 1 A 63 63 GLN HA H 63 4.282 3.978 0.304 1
1 622 . 4 1 1 A 63 63 GLN C C 63 179.406 179.002 0.404 1
1 623 . 4 1 1 A 63 63 GLN CA C 63 59.050 58.220 0.830 1
1 624 . 4 1 1 A 63 63 GLN CB C 63 29.089 28.372 0.717 1
1 626 . 4 1 1 A 63 63 GLN N N 63 118.216 119.512 -1.296 1
1 628 . 4 1 1 A 64 64 LYS H H 64 8.193 7.874 0.319 1
1 629 . 4 1 1 A 64 64 LYS HA H 64 3.933 4.115 -0.182 1
1 638 . 4 1 1 A 64 64 LYS C C 64 179.858 178.998 0.860 1
1 639 . 4 1 1 A 64 64 LYS CA C 64 60.774 59.488 1.286 1
1 640 . 4 1 1 A 64 64 LYS CB C 64 33.100 32.245 0.855 1
1 644 . 4 1 1 A 64 64 LYS N N 64 119.928 120.527 -0.599 1
1 645 . 4 1 1 A 65 65 GLN H H 65 8.459 8.213 0.246 1
1 646 . 4 1 1 A 65 65 GLN HA H 65 4.056 4.142 -0.086 1
1 653 . 4 1 1 A 65 65 GLN C C 65 177.751 178.272 -0.521 1
1 654 . 4 1 1 A 65 65 GLN CA C 65 58.891 58.603 0.288 1
1 655 . 4 1 1 A 65 65 GLN CB C 65 28.167 28.444 -0.277 1
1 657 . 4 1 1 A 65 65 GLN N N 65 117.874 117.891 -0.017 1
1 659 . 4 1 1 A 66 66 VAL H H 66 7.408 7.761 -0.353 1
1 660 . 4 1 1 A 66 66 VAL HA H 66 3.653 3.699 -0.046 1
1 668 . 4 1 1 A 66 66 VAL C C 66 178.900 177.503 1.397 1
1 669 . 4 1 1 A 66 66 VAL CA C 66 66.860 65.568 1.292 1
1 670 . 4 1 1 A 66 66 VAL CB C 66 31.784 30.969 0.815 1
1 673 . 4 1 1 A 66 66 VAL N N 66 119.348 119.414 -0.066 1
1 674 . 4 1 1 A 67 67 TYR H H 67 7.229 7.959 -0.730 1
1 675 . 4 1 1 A 67 67 TYR HA H 67 4.151 4.463 -0.312 1
1 682 . 4 1 1 A 67 67 TYR C C 67 178.776 178.472 0.304 1
1 683 . 4 1 1 A 67 67 TYR CA C 67 63.307 61.031 2.276 1
1 684 . 4 1 1 A 67 67 TYR CB C 67 39.308 38.449 0.859 1
1 689 . 4 1 1 A 67 67 TYR N N 67 117.638 121.048 -3.410 1
1 690 . 4 1 1 A 68 68 LYS H H 68 8.554 8.189 0.365 1
1 691 . 4 1 1 A 68 68 LYS HA H 68 4.195 4.361 -0.166 1
1 698 . 4 1 1 A 68 68 LYS C C 68 179.468 179.444 0.024 1
1 699 . 4 1 1 A 68 68 LYS CA C 68 60.703 59.014 1.689 1
1 700 . 4 1 1 A 68 68 LYS CB C 68 32.154 32.677 -0.523 1
1 704 . 4 1 1 A 68 68 LYS N N 68 121.795 120.434 1.361 1
1 705 . 4 1 1 A 69 69 LYS H H 69 8.883 7.917 0.966 1
1 706 . 4 1 1 A 69 69 LYS HA H 69 4.171 4.019 0.152 1
1 715 . 4 1 1 A 69 69 LYS C C 69 180.214 179.468 0.746 1
1 716 . 4 1 1 A 69 69 LYS CA C 69 59.824 59.960 -0.136 1
1 717 . 4 1 1 A 69 69 LYS CB C 69 32.072 32.356 -0.284 1
1 721 . 4 1 1 A 69 69 LYS N N 69 120.539 119.421 1.118 1
1 722 . 4 1 1 A 70 70 LYS H H 70 7.791 7.708 0.083 1
1 723 . 4 1 1 A 70 70 LYS HA H 70 4.211 4.116 0.095 1
1 732 . 4 1 1 A 70 70 LYS C C 70 179.985 179.364 0.621 1
1 733 . 4 1 1 A 70 70 LYS CA C 70 60.017 59.471 0.546 1
1 734 . 4 1 1 A 70 70 LYS CB C 70 33.200 32.434 0.766 1
1 738 . 4 1 1 A 70 70 LYS N N 70 119.946 120.075 -0.129 1
1 739 . 4 1 1 A 71 71 THR H H 71 8.002 7.785 0.217 1
1 740 . 4 1 1 A 71 71 THR HA H 71 4.301 3.902 0.399 1
1 745 . 4 1 1 A 71 71 THR C C 71 176.462 176.641 -0.179 1
1 746 . 4 1 1 A 71 71 THR CA C 71 66.402 66.564 -0.162 1
1 747 . 4 1 1 A 71 71 THR CB C 71 68.949 68.511 0.438 1
1 749 . 4 1 1 A 71 71 THR N N 71 116.183 115.415 0.768 1
1 750 . 4 1 1 A 72 72 GLU H H 72 8.295 7.798 0.497 1
1 751 . 4 1 1 A 72 72 GLU HA H 72 4.143 4.058 0.085 1
1 756 . 4 1 1 A 72 72 GLU C C 72 179.498 179.261 0.237 1
1 757 . 4 1 1 A 72 72 GLU CA C 72 59.665 59.239 0.426 1
1 758 . 4 1 1 A 72 72 GLU CB C 72 29.400 29.854 -0.454 1
1 760 . 4 1 1 A 72 72 GLU N N 72 123.438 119.665 3.773 1
1 761 . 4 1 1 A 73 73 ALA H H 73 8.063 8.079 -0.016 1
1 762 . 4 1 1 A 73 73 ALA HA H 73 4.262 4.076 0.186 1
1 766 . 4 1 1 A 73 73 ALA C C 73 180.639 179.403 1.236 1
1 767 . 4 1 1 A 73 73 ALA CA C 73 55.268 54.801 0.467 1
1 768 . 4 1 1 A 73 73 ALA CB C 73 17.824 18.082 -0.258 1
1 769 . 4 1 1 A 73 73 ALA N N 73 122.231 122.984 -0.753 1
1 770 . 4 1 1 A 74 74 ALA H H 74 8.093 8.093 0.000 1
1 771 . 4 1 1 A 74 74 ALA HA H 74 4.320 4.282 0.038 1
1 775 . 4 1 1 A 74 74 ALA C C 74 181.394 179.739 1.655 1
1 776 . 4 1 1 A 74 74 ALA CA C 74 54.904 53.735 1.169 1
1 777 . 4 1 1 A 74 74 ALA CB C 74 18.313 19.274 -0.961 1
1 778 . 4 1 1 A 74 74 ALA N N 74 121.882 119.453 2.429 1
1 779 . 4 1 1 A 75 75 LYS H H 75 8.661 8.015 0.646 1
1 780 . 4 1 1 A 75 75 LYS HA H 75 4.053 4.127 -0.074 1
1 786 . 4 1 1 A 75 75 LYS C C 75 178.096 179.143 -1.047 1
1 787 . 4 1 1 A 75 75 LYS CA C 75 60.510 59.372 1.138 1
1 788 . 4 1 1 A 75 75 LYS CB C 75 32.236 32.418 -0.182 1
1 792 . 4 1 1 A 75 75 LYS N N 75 121.652 118.108 3.544 1
1 793 . 4 1 1 A 76 76 LYS H H 76 7.855 8.552 -0.697 1
1 794 . 4 1 1 A 76 76 LYS HA H 76 4.110 4.111 -0.001 1
1 799 . 4 1 1 A 76 76 LYS C C 76 179.822 178.182 1.640 1
1 800 . 4 1 1 A 76 76 LYS CA C 76 59.993 59.337 0.656 1
1 801 . 4 1 1 A 76 76 LYS CB C 76 32.401 32.268 0.133 1
1 805 . 4 1 1 A 76 76 LYS N N 76 119.219 118.338 0.881 1
1 806 . 4 1 1 A 77 77 GLU H H 77 7.880 8.264 -0.384 1
1 807 . 4 1 1 A 77 77 GLU HA H 77 4.233 4.106 0.127 1
1 812 . 4 1 1 A 77 77 GLU C C 77 178.358 178.339 0.019 1
1 813 . 4 1 1 A 77 77 GLU CA C 77 58.980 59.356 -0.376 1
1 814 . 4 1 1 A 77 77 GLU CB C 77 29.235 29.228 0.007 1
1 816 . 4 1 1 A 77 77 GLU N N 77 119.640 119.457 0.183 1
1 817 . 4 1 1 A 78 78 TYR H H 78 8.391 8.103 0.288 1
1 818 . 4 1 1 A 78 78 TYR HA H 78 4.413 4.080 0.333 1
1 825 . 4 1 1 A 78 78 TYR C C 78 176.737 177.141 -0.404 1
1 826 . 4 1 1 A 78 78 TYR CA C 78 60.809 61.281 -0.472 1
1 827 . 4 1 1 A 78 78 TYR CB C 78 38.239 38.602 -0.363 1
1 832 . 4 1 1 A 78 78 TYR N N 78 121.464 122.166 -0.702 1
1 833 . 4 1 1 A 79 79 LEU H H 79 8.203 8.404 -0.201 1
1 834 . 4 1 1 A 79 79 LEU HA H 79 3.764 3.695 0.069 1
1 844 . 4 1 1 A 79 79 LEU C C 79 180.728 179.096 1.632 1
1 845 . 4 1 1 A 79 79 LEU CA C 79 58.170 58.205 -0.035 1
1 846 . 4 1 1 A 79 79 LEU CB C 79 41.445 41.414 0.031 1
1 850 . 4 1 1 A 79 79 LEU N N 79 118.433 119.896 -1.463 1
1 851 . 4 1 1 A 80 80 LYS H H 80 7.523 7.924 -0.401 1
1 852 . 4 1 1 A 80 80 LYS HA H 80 4.134 3.934 0.200 1
1 861 . 4 1 1 A 80 80 LYS C C 80 179.804 179.835 -0.031 1
1 862 . 4 1 1 A 80 80 LYS CA C 80 59.630 60.032 -0.402 1
1 863 . 4 1 1 A 80 80 LYS CB C 80 32.400 32.444 -0.044 1
1 867 . 4 1 1 A 80 80 LYS N N 80 120.723 118.030 2.693 1
1 868 . 4 1 1 A 81 81 GLN H H 81 8.473 8.018 0.455 1
1 869 . 4 1 1 A 81 81 GLN HA H 81 4.144 3.918 0.226 1
1 876 . 4 1 1 A 81 81 GLN C C 81 179.906 178.266 1.640 1
1 877 . 4 1 1 A 81 81 GLN CA C 81 58.628 58.917 -0.289 1
1 878 . 4 1 1 A 81 81 GLN CB C 81 28.273 28.159 0.114 1
1 880 . 4 1 1 A 81 81 GLN N N 81 120.899 118.946 1.953 1
1 882 . 4 1 1 A 82 82 LEU H H 82 9.233 8.154 1.079 1
1 883 . 4 1 1 A 82 82 LEU HA H 82 3.963 3.930 0.033 1
1 893 . 4 1 1 A 82 82 LEU C C 82 178.293 178.273 0.020 1
1 894 . 4 1 1 A 82 82 LEU CA C 82 57.959 58.237 -0.278 1
1 895 . 4 1 1 A 82 82 LEU CB C 82 42.044 41.542 0.502 1
1 899 . 4 1 1 A 82 82 LEU N N 82 123.463 121.705 1.758 1
1 900 . 4 1 1 A 83 83 ALA H H 83 7.732 8.443 -0.711 1
1 901 . 4 1 1 A 83 83 ALA HA H 83 4.223 3.968 0.255 1
1 905 . 4 1 1 A 83 83 ALA C C 83 180.853 179.344 1.509 1
1 906 . 4 1 1 A 83 83 ALA CA C 83 54.944 54.952 -0.008 1
1 907 . 4 1 1 A 83 83 ALA CB C 83 17.765 18.376 -0.611 1
1 908 . 4 1 1 A 83 83 ALA N N 83 120.956 120.078 0.878 1
1 909 . 4 1 1 A 84 84 ALA H H 84 7.716 7.224 0.492 1
1 910 . 4 1 1 A 84 84 ALA HA H 84 4.135 4.277 -0.142 1
1 914 . 4 1 1 A 84 84 ALA C C 84 180.256 178.963 1.293 1
1 915 . 4 1 1 A 84 84 ALA CA C 84 55.234 54.504 0.730 1
1 916 . 4 1 1 A 84 84 ALA CB C 84 17.806 19.207 -1.401 1
1 917 . 4 1 1 A 84 84 ALA N N 84 121.082 119.588 1.494 1
1 918 . 4 1 1 A 85 85 TYR H H 85 8.453 8.683 -0.230 1
1 919 . 4 1 1 A 85 85 TYR HA H 85 4.310 4.056 0.254 1
1 926 . 4 1 1 A 85 85 TYR C C 85 178.538 177.427 1.111 1
1 927 . 4 1 1 A 85 85 TYR CA C 85 60.862 61.879 -1.017 1
1 928 . 4 1 1 A 85 85 TYR CB C 85 38.444 38.862 -0.418 1
1 933 . 4 1 1 A 85 85 TYR N N 85 121.359 120.090 1.269 1
1 934 . 4 1 1 A 86 86 ARG H H 86 8.734 8.040 0.694 1
1 935 . 4 1 1 A 86 86 ARG HA H 86 3.713 3.759 -0.046 1
1 942 . 4 1 1 A 86 86 ARG C C 86 178.962 178.449 0.513 1
1 943 . 4 1 1 A 86 86 ARG CA C 86 59.454 59.520 -0.066 1
1 944 . 4 1 1 A 86 86 ARG CB C 86 29.605 29.933 -0.328 1
1 947 . 4 1 1 A 86 86 ARG N N 86 119.740 118.262 1.478 1
1 948 . 4 1 1 A 87 87 ALA H H 87 7.853 8.371 -0.518 1
1 949 . 4 1 1 A 87 87 ALA HA H 87 4.195 4.025 0.170 1
1 953 . 4 1 1 A 87 87 ALA C C 87 179.605 179.833 -0.228 1
1 954 . 4 1 1 A 87 87 ALA CA C 87 54.353 55.230 -0.877 1
1 955 . 4 1 1 A 87 87 ALA CB C 87 17.971 18.813 -0.842 1
1 956 . 4 1 1 A 87 87 ALA N N 87 120.667 121.572 -0.905 1
1 957 . 4 1 1 A 88 88 SER H H 88 7.763 7.596 0.167 1
1 958 . 4 1 1 A 88 88 SER HA H 88 4.347 4.156 0.191 1
1 961 . 4 1 1 A 88 88 SER C C 88 175.219 176.880 -1.661 1
1 962 . 4 1 1 A 88 88 SER CA C 88 60.158 61.578 -1.420 1
1 963 . 4 1 1 A 88 88 SER CB C 88 63.440 63.124 0.316 1
1 964 . 4 1 1 A 88 88 SER N N 88 114.332 113.849 0.483 1
1 965 . 4 1 1 A 89 89 LEU H H 89 7.344 7.881 -0.537 1
1 966 . 4 1 1 A 89 89 LEU HA H 89 4.163 3.984 0.179 1
1 976 . 4 1 1 A 89 89 LEU C C 89 178.335 177.191 1.144 1
1 977 . 4 1 1 A 89 89 LEU CA C 89 56.059 57.766 -1.707 1
1 978 . 4 1 1 A 89 89 LEU CB C 89 42.062 41.733 0.329 1
1 982 . 4 1 1 A 89 89 LEU N N 89 121.862 119.842 2.020 1
1 983 . 4 1 1 A 90 90 VAL H H 90 7.533 7.861 -0.328 1
1 984 . 4 1 1 A 90 90 VAL HA H 90 4.063 4.091 -0.028 1
1 992 . 4 1 1 A 90 90 VAL C C 90 176.743 176.553 0.190 1
1 993 . 4 1 1 A 90 90 VAL CA C 90 63.183 60.904 2.279 1
1 994 . 4 1 1 A 90 90 VAL CB C 90 32.318 33.929 -1.611 1
1 997 . 4 1 1 A 90 90 VAL N N 90 117.748 117.978 -0.230 1
1 998 . 4 1 1 A 91 91 SER H H 91 8.059 8.449 -0.390 1
1 999 . 4 1 1 A 91 91 SER HA H 91 4.415 4.304 0.111 1
1 1002 . 4 1 1 A 91 91 SER C C 91 174.854 174.183 0.671 1
1 1003 . 4 1 1 A 91 91 SER CA C 91 58.861 60.343 -1.482 1
1 1004 . 4 1 1 A 91 91 SER CB C 91 63.810 63.353 0.457 1
1 1005 . 4 1 1 A 91 91 SER N N 91 117.663 115.190 2.473 1
1 1006 . 4 1 1 A 92 92 LYS H H 92 8.158 8.070 0.088 1
1 1007 . 4 1 1 A 92 92 LYS HA H 92 4.329 4.308 0.021 1
1 1010 . 4 1 1 A 92 92 LYS C C 92 176.528 174.399 2.129 1
1 1011 . 4 1 1 A 92 92 LYS CA C 92 56.551 58.139 -1.588 1
1 1012 . 4 1 1 A 92 92 LYS CB C 92 32.771 31.884 0.887 1
1 1016 . 4 1 1 A 92 92 LYS N N 92 122.827 120.466 2.361 1
1 1017 . 4 1 1 A 93 93 SER H H 93 8.186 8.604 -0.418 1
1 1018 . 4 1 1 A 93 93 SER HA H 93 4.444 4.954 -0.510 1
1 1021 . 4 1 1 A 93 93 SER C C 93 174.271 173.143 1.128 1
1 1022 . 4 1 1 A 93 93 SER CA C 93 58.504 58.115 0.389 1
1 1023 . 4 1 1 A 93 93 SER CB C 93 63.933 63.497 0.436 1
1 1024 . 4 1 1 A 93 93 SER N N 93 116.068 119.314 -3.246 1
1 1025 . 4 1 1 A 94 94 TYR H H 94 8.146 8.587 -0.441 1
1 1026 . 4 1 1 A 94 94 TYR HA H 94 4.658 4.749 -0.091 1
1 1033 . 4 1 1 A 94 94 TYR C C 94 176.011 175.548 0.463 1
1 1034 . 4 1 1 A 94 94 TYR CA C 94 58.135 58.924 -0.789 1
1 1035 . 4 1 1 A 94 94 TYR CB C 94 38.855 40.435 -1.580 1
1 1040 . 4 1 1 A 94 94 TYR N N 94 122.150 126.704 -4.554 1
1 1041 . 4 1 1 A 95 95 THR H H 95 8.024 7.884 0.140 1
1 1042 . 4 1 1 A 95 95 THR HA H 95 4.333 4.130 0.203 1
1 1047 . 4 1 1 A 95 95 THR C C 95 174.054 173.514 0.540 1
1 1048 . 4 1 1 A 95 95 THR CA C 95 61.740 64.557 -2.817 1
1 1049 . 4 1 1 A 95 95 THR CB C 95 69.977 69.421 0.556 1
1 1051 . 4 1 1 A 95 95 THR N N 95 115.298 113.747 1.551 1
1 1052 . 4 1 1 A 96 96 ASP H H 96 8.288 8.668 -0.380 1
1 1053 . 4 1 1 A 96 96 ASP HA H 96 4.663 5.080 -0.417 1
1 1056 . 4 1 1 A 96 96 ASP C C 96 176.252 174.524 1.728 1
1 1057 . 4 1 1 A 96 96 ASP CA C 96 54.494 52.827 1.667 1
1 1058 . 4 1 1 A 96 96 ASP CB C 96 41.404 41.493 -0.089 1
1 1059 . 4 1 1 A 96 96 ASP N N 96 122.969 129.117 -6.148 1
1 1060 . 4 1 1 A 97 97 SER H H 97 8.272 8.565 -0.293 1
1 1061 . 4 1 1 A 97 97 SER HA H 97 4.500 5.364 -0.864 1
1 1063 . 4 1 1 A 97 97 SER C C 97 174.845 173.460 1.385 1
1 1064 . 4 1 1 A 97 97 SER CA C 97 58.522 56.878 1.644 1
1 1065 . 4 1 1 A 97 97 SER CB C 97 63.656 66.243 -2.587 1
1 1066 . 4 1 1 A 97 97 SER N N 97 116.137 119.736 -3.599 1
1 1067 . 4 1 1 A 98 98 GLY H H 98 8.289 8.200 0.089 1
1 1068 . 4 1 1 A 98 98 GLY HA2 H 98 4.123 4.136 -0.013 1
1 1069 . 4 1 1 A 98 98 GLY HA3 H 98 4.123 4.139 -0.016 1
1 1070 . 4 1 1 A 98 98 GLY C C 98 171.920 171.212 0.708 1
1 1071 . 4 1 1 A 98 98 GLY CA C 98 44.748 45.551 -0.803 1
1 1072 . 4 1 1 A 98 98 GLY N N 98 110.751 112.059 -1.308 1
1 1073 . 4 1 1 A 99 99 PRO HA H 99 4.490 4.567 -0.077 1
1 1080 . 4 1 1 A 99 99 PRO CA C 99 63.373 62.782 0.591 1
1 1081 . 4 1 1 A 99 99 PRO CB C 99 32.247 32.017 0.230 1
1 1 . 5 1 1 A 12 12 LYS HA H 12 4.317 4.587 -0.270 1
1 6 . 5 1 1 A 12 12 LYS C C 12 176.329 176.543 -0.214 1
1 7 . 5 1 1 A 12 12 LYS CA C 12 56.223 57.161 -0.938 1
1 8 . 5 1 1 A 12 12 LYS CB C 12 33.117 35.212 -2.095 1
1 12 . 5 1 1 A 13 13 LYS H H 13 8.394 7.605 0.789 1
1 13 . 5 1 1 A 13 13 LYS HA H 13 4.273 4.653 -0.380 1
1 18 . 5 1 1 A 13 13 LYS C C 13 175.990 173.710 2.280 1
1 19 . 5 1 1 A 13 13 LYS CA C 13 56.222 55.841 0.381 1
1 20 . 5 1 1 A 13 13 LYS CB C 13 33.223 36.275 -3.052 1
1 24 . 5 1 1 A 13 13 LYS N N 13 123.900 117.318 6.582 1
1 25 . 5 1 1 A 14 14 ASP H H 14 8.625 8.724 -0.099 1
1 26 . 5 1 1 A 14 14 ASP HA H 14 4.902 5.385 -0.483 1
1 29 . 5 1 1 A 14 14 ASP CA C 14 51.958 51.477 0.481 1
1 30 . 5 1 1 A 14 14 ASP CB C 14 41.422 41.011 0.411 1
1 31 . 5 1 1 A 14 14 ASP N N 14 124.861 123.193 1.668 1
1 32 . 5 1 1 A 15 15 PRO HA H 15 4.442 4.556 -0.114 1
1 39 . 5 1 1 A 15 15 PRO C C 15 176.634 177.214 -0.580 1
1 40 . 5 1 1 A 15 15 PRO CA C 15 63.606 62.763 0.843 1
1 41 . 5 1 1 A 15 15 PRO CB C 15 32.323 31.681 0.642 1
1 44 . 5 1 1 A 16 16 ASN H H 16 8.414 8.811 -0.397 1
1 45 . 5 1 1 A 16 16 ASN HA H 16 4.683 4.493 0.190 1
1 50 . 5 1 1 A 16 16 ASN C C 16 174.365 176.251 -1.886 1
1 51 . 5 1 1 A 16 16 ASN CA C 16 52.946 56.319 -3.373 1
1 52 . 5 1 1 A 16 16 ASN CB C 16 39.266 39.286 -0.020 1
1 53 . 5 1 1 A 16 16 ASN N N 16 116.873 120.575 -3.702 1
1 55 . 5 1 1 A 17 17 GLU H H 17 7.712 7.703 0.009 1
1 56 . 5 1 1 A 17 17 GLU HA H 17 3.233 3.966 -0.733 1
1 61 . 5 1 1 A 17 17 GLU C C 17 174.415 175.079 -0.664 1
1 62 . 5 1 1 A 17 17 GLU CA C 17 54.423 54.812 -0.389 1
1 63 . 5 1 1 A 17 17 GLU CB C 17 29.911 30.630 -0.719 1
1 65 . 5 1 1 A 17 17 GLU N N 17 122.673 118.077 4.596 1
1 66 . 5 1 1 A 18 18 PRO HA H 18 4.384 4.526 -0.142 1
1 73 . 5 1 1 A 18 18 PRO CA C 18 62.896 62.572 0.324 1
1 74 . 5 1 1 A 18 18 PRO CB C 18 31.963 32.127 -0.164 1
1 77 . 5 1 1 A 19 19 GLN H H 19 8.654 8.536 0.118 1
1 78 . 5 1 1 A 19 19 GLN HA H 19 4.293 4.558 -0.265 1
1 85 . 5 1 1 A 19 19 GLN C C 19 175.384 174.903 0.481 1
1 86 . 5 1 1 A 19 19 GLN CA C 19 55.057 55.691 -0.634 1
1 87 . 5 1 1 A 19 19 GLN CB C 19 29.793 29.721 0.072 1
1 89 . 5 1 1 A 19 19 GLN N N 19 122.106 120.825 1.281 1
1 91 . 5 1 1 A 20 20 LYS H H 20 8.383 8.410 -0.027 1
1 92 . 5 1 1 A 20 20 LYS HA H 20 3.393 2.851 0.542 1
1 101 . 5 1 1 A 20 20 LYS C C 20 174.706 174.923 -0.217 1
1 102 . 5 1 1 A 20 20 LYS CA C 20 54.951 53.264 1.687 1
1 103 . 5 1 1 A 20 20 LYS CB C 20 31.802 32.729 -0.927 1
1 107 . 5 1 1 A 20 20 LYS N N 20 124.861 124.306 0.555 1
1 108 . 5 1 1 A 21 21 PRO HA H 21 4.500 4.472 0.028 1
1 115 . 5 1 1 A 21 21 PRO C C 21 176.741 176.594 0.147 1
1 116 . 5 1 1 A 21 21 PRO CA C 21 62.396 62.615 -0.219 1
1 117 . 5 1 1 A 21 21 PRO CB C 21 32.392 32.092 0.300 1
1 120 . 5 1 1 A 22 22 VAL H H 22 7.850 8.120 -0.270 1
1 121 . 5 1 1 A 22 22 VAL HA H 22 4.303 4.361 -0.058 1
1 129 . 5 1 1 A 22 22 VAL C C 22 175.615 175.676 -0.061 1
1 130 . 5 1 1 A 22 22 VAL CA C 22 60.967 59.808 1.159 1
1 131 . 5 1 1 A 22 22 VAL CB C 22 32.342 33.449 -1.107 1
1 134 . 5 1 1 A 22 22 VAL N N 22 115.924 117.035 -1.111 1
1 135 . 5 1 1 A 23 23 SER H H 23 8.125 8.592 -0.467 1
1 136 . 5 1 1 A 23 23 SER HA H 23 4.433 4.401 0.032 1
1 139 . 5 1 1 A 23 23 SER C C 23 173.516 175.410 -1.894 1
1 140 . 5 1 1 A 23 23 SER CA C 23 57.590 58.968 -1.378 1
1 141 . 5 1 1 A 23 23 SER CB C 23 65.578 64.396 1.182 1
1 142 . 5 1 1 A 23 23 SER N N 23 116.922 118.641 -1.719 1
1 143 . 5 1 1 A 24 24 ALA H H 24 8.707 9.026 -0.319 1
1 144 . 5 1 1 A 24 24 ALA HA H 24 4.046 4.306 -0.260 1
1 148 . 5 1 1 A 24 24 ALA C C 24 178.727 179.307 -0.580 1
1 149 . 5 1 1 A 24 24 ALA CA C 24 55.971 55.218 0.753 1
1 150 . 5 1 1 A 24 24 ALA CB C 24 18.505 18.703 -0.198 1
1 151 . 5 1 1 A 24 24 ALA N N 24 123.025 127.625 -4.600 1
1 152 . 5 1 1 A 25 25 TYR H H 25 8.119 8.047 0.072 1
1 153 . 5 1 1 A 25 25 TYR HA H 25 2.678 2.589 0.089 1
1 160 . 5 1 1 A 25 25 TYR C C 25 176.253 177.384 -1.131 1
1 161 . 5 1 1 A 25 25 TYR CA C 25 60.281 60.707 -0.426 1
1 162 . 5 1 1 A 25 25 TYR CB C 25 37.951 38.002 -0.051 1
1 167 . 5 1 1 A 25 25 TYR N N 25 115.954 119.149 -3.195 1
1 168 . 5 1 1 A 26 26 ALA H H 26 7.742 7.656 0.086 1
1 169 . 5 1 1 A 26 26 ALA HA H 26 3.758 3.745 0.013 1
1 173 . 5 1 1 A 26 26 ALA C C 26 181.489 179.587 1.902 1
1 174 . 5 1 1 A 26 26 ALA CA C 26 54.859 54.258 0.601 1
1 175 . 5 1 1 A 26 26 ALA CB C 26 18.029 18.638 -0.609 1
1 176 . 5 1 1 A 26 26 ALA N N 26 121.384 121.131 0.253 1
1 177 . 5 1 1 A 27 27 LEU H H 27 7.991 8.036 -0.045 1
1 178 . 5 1 1 A 27 27 LEU HA H 27 4.023 3.976 0.047 1
1 188 . 5 1 1 A 27 27 LEU C C 27 178.625 178.282 0.343 1
1 189 . 5 1 1 A 27 27 LEU CA C 27 57.876 57.672 0.204 1
1 190 . 5 1 1 A 27 27 LEU CB C 27 42.103 41.297 0.806 1
1 194 . 5 1 1 A 27 27 LEU N N 27 120.626 118.542 2.084 1
1 195 . 5 1 1 A 28 28 PHE H H 28 7.706 7.388 0.318 1
1 196 . 5 1 1 A 28 28 PHE HA H 28 3.653 3.980 -0.327 1
1 204 . 5 1 1 A 28 28 PHE C C 28 178.640 177.323 1.317 1
1 205 . 5 1 1 A 28 28 PHE CA C 28 61.653 59.620 2.033 1
1 206 . 5 1 1 A 28 28 PHE CB C 28 39.060 39.514 -0.454 1
1 212 . 5 1 1 A 28 28 PHE N N 28 122.656 119.142 3.514 1
1 213 . 5 1 1 A 29 29 PHE H H 29 9.246 7.850 1.396 1
1 214 . 5 1 1 A 29 29 PHE HA H 29 3.483 3.765 -0.282 1
1 222 . 5 1 1 A 29 29 PHE C C 29 177.478 177.673 -0.195 1
1 223 . 5 1 1 A 29 29 PHE CA C 29 61.126 60.929 0.197 1
1 224 . 5 1 1 A 29 29 PHE CB C 29 38.837 38.834 0.003 1
1 230 . 5 1 1 A 29 29 PHE N N 29 123.986 119.365 4.621 1
1 231 . 5 1 1 A 30 30 ARG H H 30 8.044 8.112 -0.068 1
1 232 . 5 1 1 A 30 30 ARG HA H 30 4.046 4.268 -0.222 1
1 239 . 5 1 1 A 30 30 ARG C C 30 179.156 176.910 2.246 1
1 240 . 5 1 1 A 30 30 ARG CA C 30 59.542 57.857 1.685 1
1 241 . 5 1 1 A 30 30 ARG CB C 30 30.053 29.041 1.012 1
1 244 . 5 1 1 A 30 30 ARG N N 30 119.141 118.131 1.010 1
1 245 . 5 1 1 A 31 31 ASP H H 31 7.712 7.998 -0.286 1
1 246 . 5 1 1 A 31 31 ASP HA H 31 4.523 4.607 -0.084 1
1 249 . 5 1 1 A 31 31 ASP C C 31 177.850 177.546 0.304 1
1 250 . 5 1 1 A 31 31 ASP CA C 31 56.516 56.210 0.306 1
1 251 . 5 1 1 A 31 31 ASP CB C 31 40.664 41.259 -0.595 1
1 252 . 5 1 1 A 31 31 ASP N N 31 118.527 118.697 -0.170 1
1 253 . 5 1 1 A 32 32 THR H H 32 7.704 7.092 0.612 1
1 254 . 5 1 1 A 32 32 THR HA H 32 3.953 3.893 0.060 1
1 259 . 5 1 1 A 32 32 THR C C 32 175.637 175.818 -0.181 1
1 260 . 5 1 1 A 32 32 THR CA C 32 65.030 65.365 -0.335 1
1 261 . 5 1 1 A 32 32 THR CB C 32 69.195 68.767 0.428 1
1 263 . 5 1 1 A 32 32 THR N N 32 115.935 115.106 0.829 1
1 264 . 5 1 1 A 33 33 GLN H H 33 8.361 8.049 0.312 1
1 265 . 5 1 1 A 33 33 GLN HA H 33 3.373 3.694 -0.321 1
1 272 . 5 1 1 A 33 33 GLN C C 33 176.526 177.895 -1.369 1
1 273 . 5 1 1 A 33 33 GLN CA C 33 60.000 58.965 1.035 1
1 274 . 5 1 1 A 33 33 GLN CB C 33 26.827 28.308 -1.481 1
1 276 . 5 1 1 A 33 33 GLN N N 33 120.539 119.655 0.884 1
1 278 . 5 1 1 A 34 34 ALA H H 34 8.053 8.002 0.051 1
1 279 . 5 1 1 A 34 34 ALA HA H 34 3.964 4.012 -0.048 1
1 283 . 5 1 1 A 34 34 ALA C C 34 180.762 179.881 0.881 1
1 284 . 5 1 1 A 34 34 ALA CA C 34 55.338 55.053 0.285 1
1 285 . 5 1 1 A 34 34 ALA CB C 34 17.724 18.448 -0.724 1
1 286 . 5 1 1 A 34 34 ALA N N 34 120.505 120.767 -0.262 1
1 287 . 5 1 1 A 35 35 ALA H H 35 7.763 8.151 -0.388 1
1 288 . 5 1 1 A 35 35 ALA HA H 35 4.135 4.074 0.061 1
1 292 . 5 1 1 A 35 35 ALA C C 35 180.801 180.038 0.763 1
1 293 . 5 1 1 A 35 35 ALA CA C 35 54.635 55.046 -0.411 1
1 294 . 5 1 1 A 35 35 ALA CB C 35 17.888 18.391 -0.503 1
1 295 . 5 1 1 A 35 35 ALA N N 35 122.109 120.466 1.643 1
1 296 . 5 1 1 A 36 36 ILE H H 36 7.673 7.793 -0.120 1
1 297 . 5 1 1 A 36 36 ILE HA H 36 3.753 3.608 0.145 1
1 307 . 5 1 1 A 36 36 ILE C C 36 179.213 177.667 1.546 1
1 308 . 5 1 1 A 36 36 ILE CA C 36 62.955 65.265 -2.310 1
1 309 . 5 1 1 A 36 36 ILE CB C 36 36.388 37.522 -1.134 1
1 313 . 5 1 1 A 36 36 ILE N N 36 118.252 119.383 -1.131 1
1 314 . 5 1 1 A 37 37 LYS H H 37 8.444 8.366 0.078 1
1 315 . 5 1 1 A 37 37 LYS HA H 37 3.982 4.194 -0.212 1
1 324 . 5 1 1 A 37 37 LYS C C 37 178.872 179.564 -0.692 1
1 325 . 5 1 1 A 37 37 LYS CA C 37 58.715 59.746 -1.031 1
1 326 . 5 1 1 A 37 37 LYS CB C 37 31.802 32.245 -0.443 1
1 330 . 5 1 1 A 37 37 LYS N N 37 121.415 119.462 1.953 1
1 331 . 5 1 1 A 38 38 GLY H H 38 7.873 8.134 -0.261 1
1 332 . 5 1 1 A 38 38 GLY HA2 H 38 3.849 3.833 0.016 1
1 333 . 5 1 1 A 38 38 GLY HA3 H 38 3.849 3.837 0.012 1
1 334 . 5 1 1 A 38 38 GLY C C 38 175.341 175.335 0.006 1
1 335 . 5 1 1 A 38 38 GLY CA C 38 46.490 47.296 -0.806 1
1 336 . 5 1 1 A 38 38 GLY N N 38 104.723 107.458 -2.735 1
1 337 . 5 1 1 A 39 39 GLN H H 39 7.288 7.592 -0.304 1
1 338 . 5 1 1 A 39 39 GLN HA H 39 4.313 4.370 -0.057 1
1 345 . 5 1 1 A 39 39 GLN C C 39 175.814 175.879 -0.065 1
1 346 . 5 1 1 A 39 39 GLN CA C 39 56.482 56.191 0.291 1
1 347 . 5 1 1 A 39 39 GLN CB C 39 30.074 30.074 0.000 1
1 349 . 5 1 1 A 39 39 GLN N N 39 117.295 118.129 -0.834 1
1 351 . 5 1 1 A 40 40 ASN H H 40 7.780 8.122 -0.342 1
1 352 . 5 1 1 A 40 40 ASN HA H 40 5.159 5.211 -0.052 1
1 357 . 5 1 1 A 40 40 ASN C C 40 172.428 173.639 -1.211 1
1 358 . 5 1 1 A 40 40 ASN CA C 40 50.877 50.280 0.597 1
1 359 . 5 1 1 A 40 40 ASN CB C 40 39.595 38.747 0.848 1
1 360 . 5 1 1 A 40 40 ASN N N 40 115.989 117.361 -1.372 1
1 362 . 5 1 1 A 41 41 PRO HA H 41 4.523 4.340 0.183 1
1 369 . 5 1 1 A 41 41 PRO C C 41 177.550 178.325 -0.775 1
1 370 . 5 1 1 A 41 41 PRO CA C 41 64.837 64.681 0.156 1
1 371 . 5 1 1 A 41 41 PRO CB C 41 32.073 32.007 0.066 1
1 374 . 5 1 1 A 42 42 ASN H H 42 8.363 8.646 -0.283 1
1 375 . 5 1 1 A 42 42 ASN HA H 42 4.853 4.460 0.393 1
1 380 . 5 1 1 A 42 42 ASN C C 42 175.387 176.795 -1.408 1
1 381 . 5 1 1 A 42 42 ASN CA C 42 52.753 56.017 -3.264 1
1 382 . 5 1 1 A 42 42 ASN CB C 42 38.879 38.038 0.841 1
1 383 . 5 1 1 A 42 42 ASN N N 42 114.677 116.728 -2.051 1
1 385 . 5 1 1 A 43 43 ALA H H 43 7.533 7.547 -0.014 1
1 386 . 5 1 1 A 43 43 ALA HA H 43 4.443 4.278 0.165 1
1 390 . 5 1 1 A 43 43 ALA C C 43 178.490 176.677 1.813 1
1 391 . 5 1 1 A 43 43 ALA CA C 43 52.647 53.026 -0.379 1
1 392 . 5 1 1 A 43 43 ALA CB C 43 19.314 19.161 0.153 1
1 393 . 5 1 1 A 43 43 ALA N N 43 124.307 122.168 2.139 1
1 394 . 5 1 1 A 44 44 THR H H 44 8.698 8.531 0.167 1
1 395 . 5 1 1 A 44 44 THR HA H 44 4.482 4.850 -0.368 1
1 400 . 5 1 1 A 44 44 THR C C 44 175.408 174.568 0.840 1
1 401 . 5 1 1 A 44 44 THR CA C 44 60.791 59.925 0.866 1
1 402 . 5 1 1 A 44 44 THR CB C 44 71.516 69.300 2.216 1
1 404 . 5 1 1 A 44 44 THR N N 44 114.309 109.715 4.594 1
1 405 . 5 1 1 A 45 45 PHE HA H 45 4.303 4.490 -0.187 1
1 410 . 5 1 1 A 45 45 PHE CA C 45 61.982 60.024 1.958 1
1 411 . 5 1 1 A 45 45 PHE CB C 45 38.942 38.767 0.175 1
1 414 . 5 1 1 A 46 46 GLY HA2 H 46 3.962 3.775 0.187 1
1 415 . 5 1 1 A 46 46 GLY HA3 H 46 3.745 3.853 -0.108 1
1 416 . 5 1 1 A 46 46 GLY C C 46 176.621 176.838 -0.217 1
1 417 . 5 1 1 A 46 46 GLY CA C 46 46.930 47.120 -0.190 1
1 418 . 5 1 1 A 47 47 GLU H H 47 7.692 8.088 -0.396 1
1 419 . 5 1 1 A 47 47 GLU HA H 47 4.053 4.275 -0.222 1
1 424 . 5 1 1 A 47 47 GLU C C 47 179.472 178.711 0.761 1
1 425 . 5 1 1 A 47 47 GLU CA C 47 59.296 58.556 0.740 1
1 426 . 5 1 1 A 47 47 GLU CB C 47 29.769 30.468 -0.699 1
1 428 . 5 1 1 A 47 47 GLU N N 47 123.040 121.466 1.574 1
1 429 . 5 1 1 A 48 48 VAL H H 48 8.504 8.034 0.470 1
1 430 . 5 1 1 A 48 48 VAL HA H 48 3.413 3.580 -0.167 1
1 438 . 5 1 1 A 48 48 VAL C C 48 177.640 178.197 -0.557 1
1 439 . 5 1 1 A 48 48 VAL CA C 48 67.159 66.678 0.481 1
1 440 . 5 1 1 A 48 48 VAL CB C 48 31.820 31.723 0.097 1
1 443 . 5 1 1 A 48 48 VAL N N 48 120.194 120.770 -0.576 1
1 444 . 5 1 1 A 49 49 SER H H 49 8.442 8.466 -0.024 1
1 445 . 5 1 1 A 49 49 SER HA H 49 4.093 4.145 -0.052 1
1 448 . 5 1 1 A 49 49 SER C C 49 176.016 176.577 -0.561 1
1 449 . 5 1 1 A 49 49 SER CA C 49 62.500 61.828 0.672 1
1 450 . 5 1 1 A 49 49 SER CB C 49 62.653 62.858 -0.205 1
1 451 . 5 1 1 A 49 49 SER N N 49 113.484 115.766 -2.282 1
1 452 . 5 1 1 A 50 50 LYS H H 50 7.474 7.979 -0.505 1
1 453 . 5 1 1 A 50 50 LYS HA H 50 4.132 3.965 0.167 1
1 462 . 5 1 1 A 50 50 LYS C C 50 179.463 178.971 0.492 1
1 463 . 5 1 1 A 50 50 LYS CA C 50 59.525 59.370 0.155 1
1 464 . 5 1 1 A 50 50 LYS CB C 50 32.606 32.232 0.374 1
1 468 . 5 1 1 A 50 50 LYS N N 50 120.865 121.445 -0.580 1
1 469 . 5 1 1 A 51 51 ILE H H 51 7.853 7.705 0.148 1
1 470 . 5 1 1 A 51 51 ILE HA H 51 3.793 3.731 0.062 1
1 480 . 5 1 1 A 51 51 ILE C C 51 179.105 177.930 1.175 1
1 481 . 5 1 1 A 51 51 ILE CA C 51 65.488 65.076 0.412 1
1 482 . 5 1 1 A 51 51 ILE CB C 51 38.603 37.954 0.649 1
1 486 . 5 1 1 A 51 51 ILE N N 51 121.720 120.427 1.293 1
1 487 . 5 1 1 A 52 52 VAL H H 52 8.703 7.716 0.987 1
1 488 . 5 1 1 A 52 52 VAL HA H 52 3.659 3.602 0.057 1
1 496 . 5 1 1 A 52 52 VAL C C 52 178.262 178.018 0.244 1
1 497 . 5 1 1 A 52 52 VAL CA C 52 67.388 66.737 0.651 1
1 498 . 5 1 1 A 52 52 VAL CB C 52 31.185 31.348 -0.163 1
1 501 . 5 1 1 A 52 52 VAL N N 52 121.006 120.030 0.976 1
1 502 . 5 1 1 A 53 53 ALA H H 53 8.343 8.828 -0.485 1
1 503 . 5 1 1 A 53 53 ALA HA H 53 4.412 4.574 -0.162 1
1 507 . 5 1 1 A 53 53 ALA C C 53 180.884 180.263 0.621 1
1 508 . 5 1 1 A 53 53 ALA CA C 53 56.271 55.728 0.543 1
1 509 . 5 1 1 A 53 53 ALA CB C 53 17.888 18.677 -0.789 1
1 510 . 5 1 1 A 53 53 ALA N N 53 122.645 121.757 0.888 1
1 511 . 5 1 1 A 54 54 SER H H 54 7.905 7.665 0.240 1
1 512 . 5 1 1 A 54 54 SER HA H 54 4.415 4.226 0.189 1
1 515 . 5 1 1 A 54 54 SER C C 54 177.818 177.038 0.780 1
1 516 . 5 1 1 A 54 54 SER CA C 54 61.635 61.734 -0.099 1
1 517 . 5 1 1 A 54 54 SER CB C 54 62.947 63.369 -0.422 1
1 518 . 5 1 1 A 54 54 SER N N 54 114.062 113.898 0.164 1
1 519 . 5 1 1 A 55 55 MET H H 55 8.553 8.512 0.041 1
1 520 . 5 1 1 A 55 55 MET HA H 55 4.194 4.203 -0.009 1
1 528 . 5 1 1 A 55 55 MET C C 55 179.156 178.592 0.564 1
1 529 . 5 1 1 A 55 55 MET CA C 55 59.190 58.713 0.477 1
1 530 . 5 1 1 A 55 55 MET CB C 55 33.551 33.855 -0.304 1
1 533 . 5 1 1 A 55 55 MET N N 55 123.394 120.266 3.128 1
1 534 . 5 1 1 A 56 56 TRP H H 56 8.864 8.956 -0.092 1
1 535 . 5 1 1 A 56 56 TRP HA H 56 3.899 3.847 0.052 1
1 544 . 5 1 1 A 56 56 TRP C C 56 178.213 178.748 -0.535 1
1 545 . 5 1 1 A 56 56 TRP CA C 56 59.806 60.862 -1.056 1
1 546 . 5 1 1 A 56 56 TRP CB C 56 30.281 29.609 0.672 1
1 552 . 5 1 1 A 56 56 TRP N N 56 121.428 122.758 -1.330 1
1 554 . 5 1 1 A 57 57 ASP H H 57 8.061 8.028 0.033 1
1 555 . 5 1 1 A 57 57 ASP HA H 57 4.253 4.446 -0.193 1
1 558 . 5 1 1 A 57 57 ASP C C 57 178.103 177.475 0.628 1
1 559 . 5 1 1 A 57 57 ASP CA C 57 57.186 57.246 -0.060 1
1 560 . 5 1 1 A 57 57 ASP CB C 57 40.705 40.917 -0.212 1
1 561 . 5 1 1 A 57 57 ASP N N 57 117.661 119.021 -1.360 1
1 562 . 5 1 1 A 58 58 GLY H H 58 7.481 7.849 -0.368 1
1 563 . 5 1 1 A 58 58 GLY HA2 H 58 4.202 3.927 0.275 1
1 564 . 5 1 1 A 58 58 GLY HA3 H 58 3.672 3.962 -0.290 1
1 565 . 5 1 1 A 58 58 GLY C C 58 174.062 173.404 0.658 1
1 566 . 5 1 1 A 58 58 GLY CA C 58 44.872 45.372 -0.500 1
1 567 . 5 1 1 A 58 58 GLY N N 58 103.794 106.314 -2.520 1
1 568 . 5 1 1 A 59 59 LEU H H 59 7.153 7.114 0.039 1
1 569 . 5 1 1 A 59 59 LEU HA H 59 4.123 4.291 -0.168 1
1 579 . 5 1 1 A 59 59 LEU C C 59 177.880 177.368 0.512 1
1 580 . 5 1 1 A 59 59 LEU CA C 59 55.114 53.971 1.143 1
1 581 . 5 1 1 A 59 59 LEU CB C 59 43.149 42.132 1.017 1
1 585 . 5 1 1 A 59 59 LEU N N 59 123.874 120.419 3.455 1
1 586 . 5 1 1 A 60 60 GLY H H 60 8.523 7.654 0.869 1
1 587 . 5 1 1 A 60 60 GLY HA2 H 60 4.091 4.006 0.085 1
1 588 . 5 1 1 A 60 60 GLY HA3 H 60 3.993 4.017 -0.024 1
1 589 . 5 1 1 A 60 60 GLY C C 60 174.634 174.958 -0.324 1
1 590 . 5 1 1 A 60 60 GLY CA C 60 44.995 45.025 -0.030 1
1 591 . 5 1 1 A 60 60 GLY N N 60 110.475 107.978 2.497 1
1 592 . 5 1 1 A 61 61 GLU H H 61 8.743 8.703 0.040 1
1 593 . 5 1 1 A 61 61 GLU HA H 61 3.873 3.899 -0.026 1
1 598 . 5 1 1 A 61 61 GLU C C 61 178.841 178.387 0.454 1
1 599 . 5 1 1 A 61 61 GLU CA C 61 59.577 59.115 0.462 1
1 600 . 5 1 1 A 61 61 GLU CB C 61 29.299 29.416 -0.117 1
1 602 . 5 1 1 A 61 61 GLU N N 61 122.609 122.122 0.487 1
1 603 . 5 1 1 A 62 62 GLU H H 62 9.063 8.074 0.989 1
1 604 . 5 1 1 A 62 62 GLU HA H 62 4.033 4.076 -0.043 1
1 609 . 5 1 1 A 62 62 GLU C C 62 179.086 179.047 0.039 1
1 610 . 5 1 1 A 62 62 GLU CA C 62 59.841 59.046 0.795 1
1 611 . 5 1 1 A 62 62 GLU CB C 62 28.660 29.364 -0.704 1
1 613 . 5 1 1 A 62 62 GLU N N 62 118.089 119.130 -1.041 1
1 614 . 5 1 1 A 63 63 GLN H H 63 7.563 7.809 -0.246 1
1 615 . 5 1 1 A 63 63 GLN HA H 63 4.282 3.980 0.302 1
1 622 . 5 1 1 A 63 63 GLN C C 63 179.406 179.000 0.406 1
1 623 . 5 1 1 A 63 63 GLN CA C 63 59.050 58.202 0.848 1
1 624 . 5 1 1 A 63 63 GLN CB C 63 29.089 28.367 0.722 1
1 626 . 5 1 1 A 63 63 GLN N N 63 118.216 119.493 -1.277 1
1 628 . 5 1 1 A 64 64 LYS H H 64 8.193 7.820 0.373 1
1 629 . 5 1 1 A 64 64 LYS HA H 64 3.933 4.066 -0.133 1
1 638 . 5 1 1 A 64 64 LYS C C 64 179.858 179.209 0.649 1
1 639 . 5 1 1 A 64 64 LYS CA C 64 60.774 59.438 1.336 1
1 640 . 5 1 1 A 64 64 LYS CB C 64 33.100 32.060 1.040 1
1 644 . 5 1 1 A 64 64 LYS N N 64 119.928 120.559 -0.631 1
1 645 . 5 1 1 A 65 65 GLN H H 65 8.459 7.867 0.592 1
1 646 . 5 1 1 A 65 65 GLN HA H 65 4.056 4.163 -0.107 1
1 653 . 5 1 1 A 65 65 GLN C C 65 177.751 178.250 -0.499 1
1 654 . 5 1 1 A 65 65 GLN CA C 65 58.891 58.644 0.247 1
1 655 . 5 1 1 A 65 65 GLN CB C 65 28.167 28.462 -0.295 1
1 657 . 5 1 1 A 65 65 GLN N N 65 117.874 118.169 -0.295 1
1 659 . 5 1 1 A 66 66 VAL H H 66 7.408 7.828 -0.420 1
1 660 . 5 1 1 A 66 66 VAL HA H 66 3.653 3.698 -0.045 1
1 668 . 5 1 1 A 66 66 VAL C C 66 178.900 177.506 1.394 1
1 669 . 5 1 1 A 66 66 VAL CA C 66 66.860 65.222 1.638 1
1 670 . 5 1 1 A 66 66 VAL CB C 66 31.784 30.815 0.969 1
1 673 . 5 1 1 A 66 66 VAL N N 66 119.348 119.559 -0.211 1
1 674 . 5 1 1 A 67 67 TYR H H 67 7.229 7.731 -0.502 1
1 675 . 5 1 1 A 67 67 TYR HA H 67 4.151 4.360 -0.209 1
1 682 . 5 1 1 A 67 67 TYR C C 67 178.776 178.623 0.153 1
1 683 . 5 1 1 A 67 67 TYR CA C 67 63.307 61.088 2.219 1
1 684 . 5 1 1 A 67 67 TYR CB C 67 39.308 38.269 1.039 1
1 689 . 5 1 1 A 67 67 TYR N N 67 117.638 121.014 -3.376 1
1 690 . 5 1 1 A 68 68 LYS H H 68 8.554 8.129 0.425 1
1 691 . 5 1 1 A 68 68 LYS HA H 68 4.195 4.324 -0.129 1
1 698 . 5 1 1 A 68 68 LYS C C 68 179.468 179.312 0.156 1
1 699 . 5 1 1 A 68 68 LYS CA C 68 60.703 59.047 1.656 1
1 700 . 5 1 1 A 68 68 LYS CB C 68 32.154 32.674 -0.520 1
1 704 . 5 1 1 A 68 68 LYS N N 68 121.795 120.556 1.239 1
1 705 . 5 1 1 A 69 69 LYS H H 69 8.883 8.079 0.804 1
1 706 . 5 1 1 A 69 69 LYS HA H 69 4.171 4.140 0.031 1
1 715 . 5 1 1 A 69 69 LYS C C 69 180.214 179.134 1.080 1
1 716 . 5 1 1 A 69 69 LYS CA C 69 59.824 58.979 0.845 1
1 717 . 5 1 1 A 69 69 LYS CB C 69 32.072 31.969 0.103 1
1 721 . 5 1 1 A 69 69 LYS N N 69 120.539 119.832 0.707 1
1 722 . 5 1 1 A 70 70 LYS H H 70 7.791 7.892 -0.101 1
1 723 . 5 1 1 A 70 70 LYS HA H 70 4.211 4.146 0.065 1
1 732 . 5 1 1 A 70 70 LYS C C 70 179.985 179.004 0.981 1
1 733 . 5 1 1 A 70 70 LYS CA C 70 60.017 59.043 0.974 1
1 734 . 5 1 1 A 70 70 LYS CB C 70 33.200 32.621 0.579 1
1 738 . 5 1 1 A 70 70 LYS N N 70 119.946 119.192 0.754 1
1 739 . 5 1 1 A 71 71 THR H H 71 8.002 7.916 0.086 1
1 740 . 5 1 1 A 71 71 THR HA H 71 4.301 3.954 0.347 1
1 745 . 5 1 1 A 71 71 THR C C 71 176.462 176.520 -0.058 1
1 746 . 5 1 1 A 71 71 THR CA C 71 66.402 66.869 -0.467 1
1 747 . 5 1 1 A 71 71 THR CB C 71 68.949 68.822 0.127 1
1 749 . 5 1 1 A 71 71 THR N N 71 116.183 116.943 -0.760 1
1 750 . 5 1 1 A 72 72 GLU H H 72 8.295 7.623 0.672 1
1 751 . 5 1 1 A 72 72 GLU HA H 72 4.143 4.059 0.084 1
1 756 . 5 1 1 A 72 72 GLU C C 72 179.498 179.192 0.306 1
1 757 . 5 1 1 A 72 72 GLU CA C 72 59.665 59.104 0.561 1
1 758 . 5 1 1 A 72 72 GLU CB C 72 29.400 29.719 -0.319 1
1 760 . 5 1 1 A 72 72 GLU N N 72 123.438 119.787 3.651 1
1 761 . 5 1 1 A 73 73 ALA H H 73 8.063 7.766 0.297 1
1 762 . 5 1 1 A 73 73 ALA HA H 73 4.262 4.144 0.118 1
1 766 . 5 1 1 A 73 73 ALA C C 73 180.639 179.239 1.400 1
1 767 . 5 1 1 A 73 73 ALA CA C 73 55.268 54.380 0.888 1
1 768 . 5 1 1 A 73 73 ALA CB C 73 17.824 18.207 -0.383 1
1 769 . 5 1 1 A 73 73 ALA N N 73 122.231 123.015 -0.784 1
1 770 . 5 1 1 A 74 74 ALA H H 74 8.093 8.059 0.034 1
1 771 . 5 1 1 A 74 74 ALA HA H 74 4.320 4.622 -0.302 1
1 775 . 5 1 1 A 74 74 ALA C C 74 181.394 179.626 1.768 1
1 776 . 5 1 1 A 74 74 ALA CA C 74 54.904 54.347 0.557 1
1 777 . 5 1 1 A 74 74 ALA CB C 74 18.313 19.192 -0.879 1
1 778 . 5 1 1 A 74 74 ALA N N 74 121.882 119.462 2.420 1
1 779 . 5 1 1 A 75 75 LYS H H 75 8.661 8.157 0.504 1
1 780 . 5 1 1 A 75 75 LYS HA H 75 4.053 4.137 -0.084 1
1 786 . 5 1 1 A 75 75 LYS C C 75 178.096 178.349 -0.253 1
1 787 . 5 1 1 A 75 75 LYS CA C 75 60.510 59.624 0.886 1
1 788 . 5 1 1 A 75 75 LYS CB C 75 32.236 32.200 0.036 1
1 792 . 5 1 1 A 75 75 LYS N N 75 121.652 118.222 3.430 1
1 793 . 5 1 1 A 76 76 LYS H H 76 7.855 8.186 -0.331 1
1 794 . 5 1 1 A 76 76 LYS HA H 76 4.110 3.983 0.127 1
1 799 . 5 1 1 A 76 76 LYS C C 76 179.822 178.917 0.905 1
1 800 . 5 1 1 A 76 76 LYS CA C 76 59.993 59.820 0.173 1
1 801 . 5 1 1 A 76 76 LYS CB C 76 32.401 32.449 -0.048 1
1 805 . 5 1 1 A 76 76 LYS N N 76 119.219 119.235 -0.016 1
1 806 . 5 1 1 A 77 77 GLU H H 77 7.880 8.256 -0.376 1
1 807 . 5 1 1 A 77 77 GLU HA H 77 4.233 4.085 0.148 1
1 812 . 5 1 1 A 77 77 GLU C C 77 178.358 178.256 0.102 1
1 813 . 5 1 1 A 77 77 GLU CA C 77 58.980 59.229 -0.249 1
1 814 . 5 1 1 A 77 77 GLU CB C 77 29.235 29.088 0.147 1
1 816 . 5 1 1 A 77 77 GLU N N 77 119.640 118.170 1.470 1
1 817 . 5 1 1 A 78 78 TYR H H 78 8.391 8.106 0.285 1
1 818 . 5 1 1 A 78 78 TYR HA H 78 4.413 4.129 0.284 1
1 825 . 5 1 1 A 78 78 TYR C C 78 176.737 177.096 -0.359 1
1 826 . 5 1 1 A 78 78 TYR CA C 78 60.809 61.373 -0.564 1
1 827 . 5 1 1 A 78 78 TYR CB C 78 38.239 38.951 -0.712 1
1 832 . 5 1 1 A 78 78 TYR N N 78 121.464 121.951 -0.487 1
1 833 . 5 1 1 A 79 79 LEU H H 79 8.203 8.010 0.193 1
1 834 . 5 1 1 A 79 79 LEU HA H 79 3.764 3.606 0.158 1
1 844 . 5 1 1 A 79 79 LEU C C 79 180.728 179.204 1.524 1
1 845 . 5 1 1 A 79 79 LEU CA C 79 58.170 57.642 0.528 1
1 846 . 5 1 1 A 79 79 LEU CB C 79 41.445 41.242 0.203 1
1 850 . 5 1 1 A 79 79 LEU N N 79 118.433 119.198 -0.765 1
1 851 . 5 1 1 A 80 80 LYS H H 80 7.523 7.861 -0.338 1
1 852 . 5 1 1 A 80 80 LYS HA H 80 4.134 3.880 0.254 1
1 861 . 5 1 1 A 80 80 LYS C C 80 179.804 179.780 0.024 1
1 862 . 5 1 1 A 80 80 LYS CA C 80 59.630 60.370 -0.740 1
1 863 . 5 1 1 A 80 80 LYS CB C 80 32.400 32.192 0.208 1
1 867 . 5 1 1 A 80 80 LYS N N 80 120.723 118.069 2.654 1
1 868 . 5 1 1 A 81 81 GLN H H 81 8.473 7.934 0.539 1
1 869 . 5 1 1 A 81 81 GLN HA H 81 4.144 4.045 0.099 1
1 876 . 5 1 1 A 81 81 GLN C C 81 179.906 178.505 1.401 1
1 877 . 5 1 1 A 81 81 GLN CA C 81 58.628 58.722 -0.094 1
1 878 . 5 1 1 A 81 81 GLN CB C 81 28.273 28.267 0.006 1
1 880 . 5 1 1 A 81 81 GLN N N 81 120.899 119.191 1.708 1
1 882 . 5 1 1 A 82 82 LEU H H 82 9.233 7.695 1.538 1
1 883 . 5 1 1 A 82 82 LEU HA H 82 3.963 4.057 -0.094 1
1 893 . 5 1 1 A 82 82 LEU C C 82 178.293 178.293 0.000 1
1 894 . 5 1 1 A 82 82 LEU CA C 82 57.959 58.256 -0.297 1
1 895 . 5 1 1 A 82 82 LEU CB C 82 42.044 41.796 0.248 1
1 899 . 5 1 1 A 82 82 LEU N N 82 123.463 121.603 1.860 1
1 900 . 5 1 1 A 83 83 ALA H H 83 7.732 8.439 -0.707 1
1 901 . 5 1 1 A 83 83 ALA HA H 83 4.223 3.963 0.260 1
1 905 . 5 1 1 A 83 83 ALA C C 83 180.853 179.657 1.196 1
1 906 . 5 1 1 A 83 83 ALA CA C 83 54.944 55.317 -0.373 1
1 907 . 5 1 1 A 83 83 ALA CB C 83 17.765 18.311 -0.546 1
1 908 . 5 1 1 A 83 83 ALA N N 83 120.956 119.985 0.971 1
1 909 . 5 1 1 A 84 84 ALA H H 84 7.716 7.761 -0.045 1
1 910 . 5 1 1 A 84 84 ALA HA H 84 4.135 4.077 0.058 1
1 914 . 5 1 1 A 84 84 ALA C C 84 180.256 178.954 1.302 1
1 915 . 5 1 1 A 84 84 ALA CA C 84 55.234 54.972 0.262 1
1 916 . 5 1 1 A 84 84 ALA CB C 84 17.806 18.706 -0.900 1
1 917 . 5 1 1 A 84 84 ALA N N 84 121.082 119.957 1.125 1
1 918 . 5 1 1 A 85 85 TYR H H 85 8.453 8.455 -0.002 1
1 919 . 5 1 1 A 85 85 TYR HA H 85 4.310 3.974 0.336 1
1 926 . 5 1 1 A 85 85 TYR C C 85 178.538 177.645 0.893 1
1 927 . 5 1 1 A 85 85 TYR CA C 85 60.862 62.020 -1.158 1
1 928 . 5 1 1 A 85 85 TYR CB C 85 38.444 38.910 -0.466 1
1 933 . 5 1 1 A 85 85 TYR N N 85 121.359 119.823 1.536 1
1 934 . 5 1 1 A 86 86 ARG H H 86 8.734 7.836 0.898 1
1 935 . 5 1 1 A 86 86 ARG HA H 86 3.713 3.680 0.033 1
1 942 . 5 1 1 A 86 86 ARG C C 86 178.962 178.920 0.042 1
1 943 . 5 1 1 A 86 86 ARG CA C 86 59.454 59.161 0.293 1
1 944 . 5 1 1 A 86 86 ARG CB C 86 29.605 29.914 -0.309 1
1 947 . 5 1 1 A 86 86 ARG N N 86 119.740 118.847 0.893 1
1 948 . 5 1 1 A 87 87 ALA H H 87 7.853 8.140 -0.287 1
1 949 . 5 1 1 A 87 87 ALA HA H 87 4.195 3.996 0.199 1
1 953 . 5 1 1 A 87 87 ALA C C 87 179.605 180.167 -0.562 1
1 954 . 5 1 1 A 87 87 ALA CA C 87 54.353 54.942 -0.589 1
1 955 . 5 1 1 A 87 87 ALA CB C 87 17.971 18.313 -0.342 1
1 956 . 5 1 1 A 87 87 ALA N N 87 120.667 122.572 -1.905 1
1 957 . 5 1 1 A 88 88 SER H H 88 7.763 7.488 0.275 1
1 958 . 5 1 1 A 88 88 SER HA H 88 4.347 4.277 0.070 1
1 961 . 5 1 1 A 88 88 SER C C 88 175.219 176.516 -1.297 1
1 962 . 5 1 1 A 88 88 SER CA C 88 60.158 61.683 -1.525 1
1 963 . 5 1 1 A 88 88 SER CB C 88 63.440 63.287 0.153 1
1 964 . 5 1 1 A 88 88 SER N N 88 114.332 114.842 -0.510 1
1 965 . 5 1 1 A 89 89 LEU H H 89 7.344 7.890 -0.546 1
1 966 . 5 1 1 A 89 89 LEU HA H 89 4.163 4.055 0.108 1
1 976 . 5 1 1 A 89 89 LEU C C 89 178.335 177.196 1.139 1
1 977 . 5 1 1 A 89 89 LEU CA C 89 56.059 57.572 -1.513 1
1 978 . 5 1 1 A 89 89 LEU CB C 89 42.062 41.869 0.193 1
1 982 . 5 1 1 A 89 89 LEU N N 89 121.862 119.444 2.418 1
1 983 . 5 1 1 A 90 90 VAL H H 90 7.533 7.715 -0.182 1
1 984 . 5 1 1 A 90 90 VAL HA H 90 4.063 4.020 0.043 1
1 992 . 5 1 1 A 90 90 VAL C C 90 176.743 175.292 1.451 1
1 993 . 5 1 1 A 90 90 VAL CA C 90 63.183 61.353 1.830 1
1 994 . 5 1 1 A 90 90 VAL CB C 90 32.318 33.043 -0.725 1
1 997 . 5 1 1 A 90 90 VAL N N 90 117.748 117.355 0.393 1
1 998 . 5 1 1 A 91 91 SER H H 91 8.059 8.483 -0.424 1
1 999 . 5 1 1 A 91 91 SER HA H 91 4.415 4.809 -0.394 1
1 1002 . 5 1 1 A 91 91 SER C C 91 174.854 173.531 1.323 1
1 1003 . 5 1 1 A 91 91 SER CA C 91 58.861 57.278 1.583 1
1 1004 . 5 1 1 A 91 91 SER CB C 91 63.810 63.219 0.591 1
1 1005 . 5 1 1 A 91 91 SER N N 91 117.663 118.154 -0.491 1
1 1006 . 5 1 1 A 92 92 LYS H H 92 8.158 8.198 -0.040 1
1 1007 . 5 1 1 A 92 92 LYS HA H 92 4.329 4.404 -0.075 1
1 1010 . 5 1 1 A 92 92 LYS C C 92 176.528 175.671 0.857 1
1 1011 . 5 1 1 A 92 92 LYS CA C 92 56.551 57.328 -0.777 1
1 1012 . 5 1 1 A 92 92 LYS CB C 92 32.771 35.249 -2.478 1
1 1016 . 5 1 1 A 92 92 LYS N N 92 122.827 127.088 -4.261 1
1 1017 . 5 1 1 A 93 93 SER H H 93 8.186 7.719 0.467 1
1 1018 . 5 1 1 A 93 93 SER HA H 93 4.444 4.264 0.180 1
1 1021 . 5 1 1 A 93 93 SER C C 93 174.271 173.026 1.245 1
1 1022 . 5 1 1 A 93 93 SER CA C 93 58.504 57.050 1.454 1
1 1023 . 5 1 1 A 93 93 SER CB C 93 63.933 64.213 -0.280 1
1 1024 . 5 1 1 A 93 93 SER N N 93 116.068 114.992 1.076 1
1 1025 . 5 1 1 A 94 94 TYR H H 94 8.146 8.412 -0.266 1
1 1026 . 5 1 1 A 94 94 TYR HA H 94 4.658 5.132 -0.474 1
1 1033 . 5 1 1 A 94 94 TYR C C 94 176.011 175.363 0.648 1
1 1034 . 5 1 1 A 94 94 TYR CA C 94 58.135 56.565 1.570 1
1 1035 . 5 1 1 A 94 94 TYR CB C 94 38.855 43.684 -4.829 1
1 1040 . 5 1 1 A 94 94 TYR N N 94 122.150 120.209 1.941 1
1 1041 . 5 1 1 A 95 95 THR H H 95 8.024 8.857 -0.833 1
1 1042 . 5 1 1 A 95 95 THR HA H 95 4.333 4.461 -0.128 1
1 1047 . 5 1 1 A 95 95 THR C C 95 174.054 174.322 -0.268 1
1 1048 . 5 1 1 A 95 95 THR CA C 95 61.740 63.356 -1.616 1
1 1049 . 5 1 1 A 95 95 THR CB C 95 69.977 70.135 -0.158 1
1 1051 . 5 1 1 A 95 95 THR N N 95 115.298 114.491 0.807 1
1 1052 . 5 1 1 A 96 96 ASP H H 96 8.288 7.829 0.459 1
1 1053 . 5 1 1 A 96 96 ASP HA H 96 4.663 4.921 -0.258 1
1 1056 . 5 1 1 A 96 96 ASP C C 96 176.252 174.962 1.290 1
1 1057 . 5 1 1 A 96 96 ASP CA C 96 54.494 53.263 1.231 1
1 1058 . 5 1 1 A 96 96 ASP CB C 96 41.404 42.740 -1.336 1
1 1059 . 5 1 1 A 96 96 ASP N N 96 122.969 116.598 6.371 1
1 1060 . 5 1 1 A 97 97 SER H H 97 8.272 8.470 -0.198 1
1 1061 . 5 1 1 A 97 97 SER HA H 97 4.500 4.751 -0.251 1
1 1063 . 5 1 1 A 97 97 SER C C 97 174.845 175.075 -0.230 1
1 1064 . 5 1 1 A 97 97 SER CA C 97 58.522 58.482 0.040 1
1 1065 . 5 1 1 A 97 97 SER CB C 97 63.656 64.719 -1.063 1
1 1066 . 5 1 1 A 97 97 SER N N 97 116.137 113.804 2.333 1
1 1067 . 5 1 1 A 98 98 GLY H H 98 8.289 7.315 0.974 1
1 1068 . 5 1 1 A 98 98 GLY HA2 H 98 4.123 4.087 0.036 1
1 1069 . 5 1 1 A 98 98 GLY HA3 H 98 4.123 4.091 0.032 1
1 1070 . 5 1 1 A 98 98 GLY C C 98 171.920 172.360 -0.440 1
1 1071 . 5 1 1 A 98 98 GLY CA C 98 44.748 45.646 -0.898 1
1 1072 . 5 1 1 A 98 98 GLY N N 98 110.751 108.412 2.339 1
1 1073 . 5 1 1 A 99 99 PRO HA H 99 4.490 4.712 -0.222 1
1 1080 . 5 1 1 A 99 99 PRO CA C 99 63.373 62.611 0.762 1
1 1081 . 5 1 1 A 99 99 PRO CB C 99 32.247 33.432 -1.185 1
1 1 . 6 1 1 A 12 12 LYS HA H 12 4.317 4.454 -0.137 1
1 6 . 6 1 1 A 12 12 LYS C C 12 176.329 176.368 -0.039 1
1 7 . 6 1 1 A 12 12 LYS CA C 12 56.223 57.346 -1.123 1
1 8 . 6 1 1 A 12 12 LYS CB C 12 33.117 35.059 -1.942 1
1 12 . 6 1 1 A 13 13 LYS H H 13 8.394 8.010 0.384 1
1 13 . 6 1 1 A 13 13 LYS HA H 13 4.273 3.919 0.354 1
1 18 . 6 1 1 A 13 13 LYS C C 13 175.990 174.913 1.077 1
1 19 . 6 1 1 A 13 13 LYS CA C 13 56.222 58.584 -2.362 1
1 20 . 6 1 1 A 13 13 LYS CB C 13 33.223 31.408 1.815 1
1 24 . 6 1 1 A 13 13 LYS N N 13 123.900 117.715 6.185 1
1 25 . 6 1 1 A 14 14 ASP H H 14 8.625 7.879 0.746 1
1 26 . 6 1 1 A 14 14 ASP HA H 14 4.902 5.024 -0.122 1
1 29 . 6 1 1 A 14 14 ASP CA C 14 51.958 51.676 0.282 1
1 30 . 6 1 1 A 14 14 ASP CB C 14 41.422 43.011 -1.589 1
1 31 . 6 1 1 A 14 14 ASP N N 14 124.861 113.524 11.337 1
1 32 . 6 1 1 A 15 15 PRO HA H 15 4.442 4.722 -0.280 1
1 39 . 6 1 1 A 15 15 PRO C C 15 176.634 175.824 0.810 1
1 40 . 6 1 1 A 15 15 PRO CA C 15 63.606 62.681 0.925 1
1 41 . 6 1 1 A 15 15 PRO CB C 15 32.323 33.578 -1.255 1
1 44 . 6 1 1 A 16 16 ASN H H 16 8.414 8.351 0.063 1
1 45 . 6 1 1 A 16 16 ASN HA H 16 4.683 4.881 -0.198 1
1 50 . 6 1 1 A 16 16 ASN C C 16 174.365 174.429 -0.064 1
1 51 . 6 1 1 A 16 16 ASN CA C 16 52.946 53.949 -1.003 1
1 52 . 6 1 1 A 16 16 ASN CB C 16 39.266 39.862 -0.596 1
1 53 . 6 1 1 A 16 16 ASN N N 16 116.873 114.078 2.795 1
1 55 . 6 1 1 A 17 17 GLU H H 17 7.712 7.769 -0.057 1
1 56 . 6 1 1 A 17 17 GLU HA H 17 3.233 3.493 -0.260 1
1 61 . 6 1 1 A 17 17 GLU C C 17 174.415 174.850 -0.435 1
1 62 . 6 1 1 A 17 17 GLU CA C 17 54.423 53.691 0.732 1
1 63 . 6 1 1 A 17 17 GLU CB C 17 29.911 30.803 -0.892 1
1 65 . 6 1 1 A 17 17 GLU N N 17 122.673 120.298 2.375 1
1 66 . 6 1 1 A 18 18 PRO HA H 18 4.384 4.545 -0.161 1
1 73 . 6 1 1 A 18 18 PRO CA C 18 62.896 62.553 0.343 1
1 74 . 6 1 1 A 18 18 PRO CB C 18 31.963 32.154 -0.191 1
1 77 . 6 1 1 A 19 19 GLN H H 19 8.654 8.410 0.244 1
1 78 . 6 1 1 A 19 19 GLN HA H 19 4.293 4.511 -0.218 1
1 85 . 6 1 1 A 19 19 GLN C C 19 175.384 174.345 1.039 1
1 86 . 6 1 1 A 19 19 GLN CA C 19 55.057 55.082 -0.025 1
1 87 . 6 1 1 A 19 19 GLN CB C 19 29.793 29.520 0.273 1
1 89 . 6 1 1 A 19 19 GLN N N 19 122.106 118.853 3.253 1
1 91 . 6 1 1 A 20 20 LYS H H 20 8.383 8.312 0.071 1
1 92 . 6 1 1 A 20 20 LYS HA H 20 3.393 3.097 0.296 1
1 101 . 6 1 1 A 20 20 LYS C C 20 174.706 175.298 -0.592 1
1 102 . 6 1 1 A 20 20 LYS CA C 20 54.951 53.243 1.708 1
1 103 . 6 1 1 A 20 20 LYS CB C 20 31.802 32.976 -1.174 1
1 107 . 6 1 1 A 20 20 LYS N N 20 124.861 125.782 -0.921 1
1 108 . 6 1 1 A 21 21 PRO HA H 21 4.500 4.526 -0.026 1
1 115 . 6 1 1 A 21 21 PRO C C 21 176.741 176.256 0.485 1
1 116 . 6 1 1 A 21 21 PRO CA C 21 62.396 62.340 0.056 1
1 117 . 6 1 1 A 21 21 PRO CB C 21 32.392 32.353 0.039 1
1 120 . 6 1 1 A 22 22 VAL H H 22 7.850 8.181 -0.331 1
1 121 . 6 1 1 A 22 22 VAL HA H 22 4.303 4.666 -0.363 1
1 129 . 6 1 1 A 22 22 VAL C C 22 175.615 175.314 0.301 1
1 130 . 6 1 1 A 22 22 VAL CA C 22 60.967 59.140 1.827 1
1 131 . 6 1 1 A 22 22 VAL CB C 22 32.342 35.080 -2.738 1
1 134 . 6 1 1 A 22 22 VAL N N 22 115.924 115.437 0.487 1
1 135 . 6 1 1 A 23 23 SER H H 23 8.125 8.449 -0.324 1
1 136 . 6 1 1 A 23 23 SER HA H 23 4.433 4.430 0.003 1
1 139 . 6 1 1 A 23 23 SER C C 23 173.516 175.357 -1.841 1
1 140 . 6 1 1 A 23 23 SER CA C 23 57.590 57.861 -0.271 1
1 141 . 6 1 1 A 23 23 SER CB C 23 65.578 64.842 0.736 1
1 142 . 6 1 1 A 23 23 SER N N 23 116.922 116.278 0.644 1
1 143 . 6 1 1 A 24 24 ALA H H 24 8.707 9.041 -0.334 1
1 144 . 6 1 1 A 24 24 ALA HA H 24 4.046 4.243 -0.197 1
1 148 . 6 1 1 A 24 24 ALA C C 24 178.727 179.124 -0.397 1
1 149 . 6 1 1 A 24 24 ALA CA C 24 55.971 55.339 0.632 1
1 150 . 6 1 1 A 24 24 ALA CB C 24 18.505 18.616 -0.111 1
1 151 . 6 1 1 A 24 24 ALA N N 24 123.025 124.225 -1.200 1
1 152 . 6 1 1 A 25 25 TYR H H 25 8.119 8.086 0.033 1
1 153 . 6 1 1 A 25 25 TYR HA H 25 2.678 2.190 0.488 1
1 160 . 6 1 1 A 25 25 TYR C C 25 176.253 177.633 -1.380 1
1 161 . 6 1 1 A 25 25 TYR CA C 25 60.281 60.737 -0.456 1
1 162 . 6 1 1 A 25 25 TYR CB C 25 37.951 38.096 -0.145 1
1 167 . 6 1 1 A 25 25 TYR N N 25 115.954 119.086 -3.132 1
1 168 . 6 1 1 A 26 26 ALA H H 26 7.742 7.762 -0.020 1
1 169 . 6 1 1 A 26 26 ALA HA H 26 3.758 3.642 0.116 1
1 173 . 6 1 1 A 26 26 ALA C C 26 181.489 179.505 1.984 1
1 174 . 6 1 1 A 26 26 ALA CA C 26 54.859 54.568 0.291 1
1 175 . 6 1 1 A 26 26 ALA CB C 26 18.029 18.356 -0.327 1
1 176 . 6 1 1 A 26 26 ALA N N 26 121.384 121.406 -0.022 1
1 177 . 6 1 1 A 27 27 LEU H H 27 7.991 8.270 -0.279 1
1 178 . 6 1 1 A 27 27 LEU HA H 27 4.023 3.981 0.042 1
1 188 . 6 1 1 A 27 27 LEU C C 27 178.625 177.927 0.698 1
1 189 . 6 1 1 A 27 27 LEU CA C 27 57.876 57.661 0.215 1
1 190 . 6 1 1 A 27 27 LEU CB C 27 42.103 41.622 0.481 1
1 194 . 6 1 1 A 27 27 LEU N N 27 120.626 118.848 1.778 1
1 195 . 6 1 1 A 28 28 PHE H H 28 7.706 7.343 0.363 1
1 196 . 6 1 1 A 28 28 PHE HA H 28 3.653 3.983 -0.330 1
1 204 . 6 1 1 A 28 28 PHE C C 28 178.640 177.398 1.242 1
1 205 . 6 1 1 A 28 28 PHE CA C 28 61.653 59.490 2.163 1
1 206 . 6 1 1 A 28 28 PHE CB C 28 39.060 39.613 -0.553 1
1 212 . 6 1 1 A 28 28 PHE N N 28 122.656 119.426 3.230 1
1 213 . 6 1 1 A 29 29 PHE H H 29 9.246 8.146 1.100 1
1 214 . 6 1 1 A 29 29 PHE HA H 29 3.483 3.777 -0.294 1
1 222 . 6 1 1 A 29 29 PHE C C 29 177.478 177.597 -0.119 1
1 223 . 6 1 1 A 29 29 PHE CA C 29 61.126 60.929 0.197 1
1 224 . 6 1 1 A 29 29 PHE CB C 29 38.837 38.836 0.001 1
1 230 . 6 1 1 A 29 29 PHE N N 29 123.986 119.534 4.452 1
1 231 . 6 1 1 A 30 30 ARG H H 30 8.044 8.249 -0.205 1
1 232 . 6 1 1 A 30 30 ARG HA H 30 4.046 4.207 -0.161 1
1 239 . 6 1 1 A 30 30 ARG C C 30 179.156 177.750 1.406 1
1 240 . 6 1 1 A 30 30 ARG CA C 30 59.542 58.254 1.288 1
1 241 . 6 1 1 A 30 30 ARG CB C 30 30.053 29.254 0.799 1
1 244 . 6 1 1 A 30 30 ARG N N 30 119.141 119.194 -0.053 1
1 245 . 6 1 1 A 31 31 ASP H H 31 7.712 7.961 -0.249 1
1 246 . 6 1 1 A 31 31 ASP HA H 31 4.523 4.414 0.109 1
1 249 . 6 1 1 A 31 31 ASP C C 31 177.850 178.375 -0.525 1
1 250 . 6 1 1 A 31 31 ASP CA C 31 56.516 56.885 -0.369 1
1 251 . 6 1 1 A 31 31 ASP CB C 31 40.664 41.020 -0.356 1
1 252 . 6 1 1 A 31 31 ASP N N 31 118.527 119.897 -1.370 1
1 253 . 6 1 1 A 32 32 THR H H 32 7.704 7.242 0.462 1
1 254 . 6 1 1 A 32 32 THR HA H 32 3.953 3.805 0.148 1
1 259 . 6 1 1 A 32 32 THR C C 32 175.637 175.559 0.078 1
1 260 . 6 1 1 A 32 32 THR CA C 32 65.030 66.436 -1.406 1
1 261 . 6 1 1 A 32 32 THR CB C 32 69.195 68.458 0.737 1
1 263 . 6 1 1 A 32 32 THR N N 32 115.935 116.100 -0.165 1
1 264 . 6 1 1 A 33 33 GLN H H 33 8.361 8.136 0.225 1
1 265 . 6 1 1 A 33 33 GLN HA H 33 3.373 3.699 -0.326 1
1 272 . 6 1 1 A 33 33 GLN C C 33 176.526 177.967 -1.441 1
1 273 . 6 1 1 A 33 33 GLN CA C 33 60.000 58.963 1.037 1
1 274 . 6 1 1 A 33 33 GLN CB C 33 26.827 28.263 -1.436 1
1 276 . 6 1 1 A 33 33 GLN N N 33 120.539 119.548 0.991 1
1 278 . 6 1 1 A 34 34 ALA H H 34 8.053 8.019 0.034 1
1 279 . 6 1 1 A 34 34 ALA HA H 34 3.964 4.022 -0.058 1
1 283 . 6 1 1 A 34 34 ALA C C 34 180.762 179.874 0.888 1
1 284 . 6 1 1 A 34 34 ALA CA C 34 55.338 55.108 0.230 1
1 285 . 6 1 1 A 34 34 ALA CB C 34 17.724 18.378 -0.654 1
1 286 . 6 1 1 A 34 34 ALA N N 34 120.505 120.846 -0.341 1
1 287 . 6 1 1 A 35 35 ALA H H 35 7.763 7.970 -0.207 1
1 288 . 6 1 1 A 35 35 ALA HA H 35 4.135 4.069 0.066 1
1 292 . 6 1 1 A 35 35 ALA C C 35 180.801 179.679 1.122 1
1 293 . 6 1 1 A 35 35 ALA CA C 35 54.635 55.011 -0.376 1
1 294 . 6 1 1 A 35 35 ALA CB C 35 17.888 18.444 -0.556 1
1 295 . 6 1 1 A 35 35 ALA N N 35 122.109 120.354 1.755 1
1 296 . 6 1 1 A 36 36 ILE H H 36 7.673 8.199 -0.526 1
1 297 . 6 1 1 A 36 36 ILE HA H 36 3.753 3.599 0.154 1
1 307 . 6 1 1 A 36 36 ILE C C 36 179.213 177.743 1.470 1
1 308 . 6 1 1 A 36 36 ILE CA C 36 62.955 65.222 -2.267 1
1 309 . 6 1 1 A 36 36 ILE CB C 36 36.388 37.915 -1.527 1
1 313 . 6 1 1 A 36 36 ILE N N 36 118.252 119.378 -1.126 1
1 314 . 6 1 1 A 37 37 LYS H H 37 8.444 8.032 0.412 1
1 315 . 6 1 1 A 37 37 LYS HA H 37 3.982 4.176 -0.194 1
1 324 . 6 1 1 A 37 37 LYS C C 37 178.872 179.492 -0.620 1
1 325 . 6 1 1 A 37 37 LYS CA C 37 58.715 59.508 -0.793 1
1 326 . 6 1 1 A 37 37 LYS CB C 37 31.802 32.145 -0.343 1
1 330 . 6 1 1 A 37 37 LYS N N 37 121.415 118.990 2.425 1
1 331 . 6 1 1 A 38 38 GLY H H 38 7.873 8.095 -0.222 1
1 332 . 6 1 1 A 38 38 GLY HA2 H 38 3.849 3.855 -0.006 1
1 333 . 6 1 1 A 38 38 GLY HA3 H 38 3.849 3.859 -0.010 1
1 334 . 6 1 1 A 38 38 GLY C C 38 175.341 175.382 -0.041 1
1 335 . 6 1 1 A 38 38 GLY CA C 38 46.490 47.131 -0.641 1
1 336 . 6 1 1 A 38 38 GLY N N 38 104.723 107.644 -2.921 1
1 337 . 6 1 1 A 39 39 GLN H H 39 7.288 7.599 -0.311 1
1 338 . 6 1 1 A 39 39 GLN HA H 39 4.313 4.323 -0.010 1
1 345 . 6 1 1 A 39 39 GLN C C 39 175.814 175.889 -0.075 1
1 346 . 6 1 1 A 39 39 GLN CA C 39 56.482 56.398 0.084 1
1 347 . 6 1 1 A 39 39 GLN CB C 39 30.074 30.060 0.014 1
1 349 . 6 1 1 A 39 39 GLN N N 39 117.295 118.165 -0.870 1
1 351 . 6 1 1 A 40 40 ASN H H 40 7.780 8.022 -0.242 1
1 352 . 6 1 1 A 40 40 ASN HA H 40 5.159 5.210 -0.051 1
1 357 . 6 1 1 A 40 40 ASN C C 40 172.428 173.645 -1.217 1
1 358 . 6 1 1 A 40 40 ASN CA C 40 50.877 50.285 0.592 1
1 359 . 6 1 1 A 40 40 ASN CB C 40 39.595 38.736 0.859 1
1 360 . 6 1 1 A 40 40 ASN N N 40 115.989 117.565 -1.576 1
1 362 . 6 1 1 A 41 41 PRO HA H 41 4.523 4.332 0.191 1
1 369 . 6 1 1 A 41 41 PRO C C 41 177.550 178.355 -0.805 1
1 370 . 6 1 1 A 41 41 PRO CA C 41 64.837 64.681 0.156 1
1 371 . 6 1 1 A 41 41 PRO CB C 41 32.073 32.012 0.061 1
1 374 . 6 1 1 A 42 42 ASN H H 42 8.363 8.620 -0.257 1
1 375 . 6 1 1 A 42 42 ASN HA H 42 4.853 4.516 0.337 1
1 380 . 6 1 1 A 42 42 ASN C C 42 175.387 177.040 -1.653 1
1 381 . 6 1 1 A 42 42 ASN CA C 42 52.753 55.790 -3.037 1
1 382 . 6 1 1 A 42 42 ASN CB C 42 38.879 38.058 0.821 1
1 383 . 6 1 1 A 42 42 ASN N N 42 114.677 114.988 -0.311 1
1 385 . 6 1 1 A 43 43 ALA H H 43 7.533 7.694 -0.161 1
1 386 . 6 1 1 A 43 43 ALA HA H 43 4.443 4.290 0.153 1
1 390 . 6 1 1 A 43 43 ALA C C 43 178.490 176.955 1.535 1
1 391 . 6 1 1 A 43 43 ALA CA C 43 52.647 52.162 0.485 1
1 392 . 6 1 1 A 43 43 ALA CB C 43 19.314 19.017 0.297 1
1 393 . 6 1 1 A 43 43 ALA N N 43 124.307 121.639 2.668 1
1 394 . 6 1 1 A 44 44 THR H H 44 8.698 9.062 -0.364 1
1 395 . 6 1 1 A 44 44 THR HA H 44 4.482 4.525 -0.043 1
1 400 . 6 1 1 A 44 44 THR C C 44 175.408 175.533 -0.125 1
1 401 . 6 1 1 A 44 44 THR CA C 44 60.791 62.113 -1.322 1
1 402 . 6 1 1 A 44 44 THR CB C 44 71.516 69.362 2.154 1
1 404 . 6 1 1 A 44 44 THR N N 44 114.309 117.993 -3.684 1
1 405 . 6 1 1 A 45 45 PHE HA H 45 4.303 4.177 0.126 1
1 410 . 6 1 1 A 45 45 PHE CA C 45 61.982 61.587 0.395 1
1 411 . 6 1 1 A 45 45 PHE CB C 45 38.942 40.048 -1.106 1
1 414 . 6 1 1 A 46 46 GLY HA2 H 46 3.962 3.617 0.345 1
1 415 . 6 1 1 A 46 46 GLY HA3 H 46 3.745 3.658 0.087 1
1 416 . 6 1 1 A 46 46 GLY C C 46 176.621 175.787 0.834 1
1 417 . 6 1 1 A 46 46 GLY CA C 46 46.930 47.219 -0.289 1
1 418 . 6 1 1 A 47 47 GLU H H 47 7.692 8.080 -0.388 1
1 419 . 6 1 1 A 47 47 GLU HA H 47 4.053 4.071 -0.018 1
1 424 . 6 1 1 A 47 47 GLU C C 47 179.472 179.092 0.380 1
1 425 . 6 1 1 A 47 47 GLU CA C 47 59.296 59.251 0.045 1
1 426 . 6 1 1 A 47 47 GLU CB C 47 29.769 29.424 0.345 1
1 428 . 6 1 1 A 47 47 GLU N N 47 123.040 121.559 1.481 1
1 429 . 6 1 1 A 48 48 VAL H H 48 8.504 7.856 0.648 1
1 430 . 6 1 1 A 48 48 VAL HA H 48 3.413 3.583 -0.170 1
1 438 . 6 1 1 A 48 48 VAL C C 48 177.640 178.188 -0.548 1
1 439 . 6 1 1 A 48 48 VAL CA C 48 67.159 66.576 0.583 1
1 440 . 6 1 1 A 48 48 VAL CB C 48 31.820 31.510 0.310 1
1 443 . 6 1 1 A 48 48 VAL N N 48 120.194 120.697 -0.503 1
1 444 . 6 1 1 A 49 49 SER H H 49 8.442 8.008 0.434 1
1 445 . 6 1 1 A 49 49 SER HA H 49 4.093 4.038 0.055 1
1 448 . 6 1 1 A 49 49 SER C C 49 176.016 176.716 -0.700 1
1 449 . 6 1 1 A 49 49 SER CA C 49 62.500 61.454 1.046 1
1 450 . 6 1 1 A 49 49 SER CB C 49 62.653 62.748 -0.095 1
1 451 . 6 1 1 A 49 49 SER N N 49 113.484 114.059 -0.575 1
1 452 . 6 1 1 A 50 50 LYS H H 50 7.474 8.070 -0.596 1
1 453 . 6 1 1 A 50 50 LYS HA H 50 4.132 4.095 0.037 1
1 462 . 6 1 1 A 50 50 LYS C C 50 179.463 178.498 0.965 1
1 463 . 6 1 1 A 50 50 LYS CA C 50 59.525 59.081 0.444 1
1 464 . 6 1 1 A 50 50 LYS CB C 50 32.606 32.206 0.400 1
1 468 . 6 1 1 A 50 50 LYS N N 50 120.865 121.106 -0.241 1
1 469 . 6 1 1 A 51 51 ILE H H 51 7.853 7.363 0.490 1
1 470 . 6 1 1 A 51 51 ILE HA H 51 3.793 3.852 -0.059 1
1 480 . 6 1 1 A 51 51 ILE C C 51 179.105 178.187 0.918 1
1 481 . 6 1 1 A 51 51 ILE CA C 51 65.488 64.453 1.035 1
1 482 . 6 1 1 A 51 51 ILE CB C 51 38.603 37.941 0.662 1
1 486 . 6 1 1 A 51 51 ILE N N 51 121.720 119.425 2.295 1
1 487 . 6 1 1 A 52 52 VAL H H 52 8.703 7.634 1.069 1
1 488 . 6 1 1 A 52 52 VAL HA H 52 3.659 3.611 0.048 1
1 496 . 6 1 1 A 52 52 VAL C C 52 178.262 178.231 0.031 1
1 497 . 6 1 1 A 52 52 VAL CA C 52 67.388 66.678 0.710 1
1 498 . 6 1 1 A 52 52 VAL CB C 52 31.185 31.359 -0.174 1
1 501 . 6 1 1 A 52 52 VAL N N 52 121.006 119.806 1.200 1
1 502 . 6 1 1 A 53 53 ALA H H 53 8.343 8.347 -0.004 1
1 503 . 6 1 1 A 53 53 ALA HA H 53 4.412 4.187 0.225 1
1 507 . 6 1 1 A 53 53 ALA C C 53 180.884 179.981 0.903 1
1 508 . 6 1 1 A 53 53 ALA CA C 53 56.271 55.219 1.052 1
1 509 . 6 1 1 A 53 53 ALA CB C 53 17.888 18.117 -0.229 1
1 510 . 6 1 1 A 53 53 ALA N N 53 122.645 122.337 0.308 1
1 511 . 6 1 1 A 54 54 SER H H 54 7.905 7.837 0.068 1
1 512 . 6 1 1 A 54 54 SER HA H 54 4.415 4.407 0.008 1
1 515 . 6 1 1 A 54 54 SER C C 54 177.818 176.767 1.051 1
1 516 . 6 1 1 A 54 54 SER CA C 54 61.635 61.356 0.279 1
1 517 . 6 1 1 A 54 54 SER CB C 54 62.947 63.445 -0.498 1
1 518 . 6 1 1 A 54 54 SER N N 54 114.062 114.855 -0.793 1
1 519 . 6 1 1 A 55 55 MET H H 55 8.553 8.441 0.112 1
1 520 . 6 1 1 A 55 55 MET HA H 55 4.194 4.242 -0.048 1
1 528 . 6 1 1 A 55 55 MET C C 55 179.156 178.532 0.624 1
1 529 . 6 1 1 A 55 55 MET CA C 55 59.190 58.832 0.358 1
1 530 . 6 1 1 A 55 55 MET CB C 55 33.551 33.953 -0.402 1
1 533 . 6 1 1 A 55 55 MET N N 55 123.394 119.658 3.736 1
1 534 . 6 1 1 A 56 56 TRP H H 56 8.864 8.979 -0.115 1
1 535 . 6 1 1 A 56 56 TRP HA H 56 3.899 3.860 0.039 1
1 544 . 6 1 1 A 56 56 TRP C C 56 178.213 177.975 0.238 1
1 545 . 6 1 1 A 56 56 TRP CA C 56 59.806 60.738 -0.932 1
1 546 . 6 1 1 A 56 56 TRP CB C 56 30.281 29.886 0.395 1
1 552 . 6 1 1 A 56 56 TRP N N 56 121.428 122.589 -1.161 1
1 554 . 6 1 1 A 57 57 ASP H H 57 8.061 8.396 -0.335 1
1 555 . 6 1 1 A 57 57 ASP HA H 57 4.253 4.371 -0.118 1
1 558 . 6 1 1 A 57 57 ASP C C 57 178.103 177.334 0.769 1
1 559 . 6 1 1 A 57 57 ASP CA C 57 57.186 56.616 0.570 1
1 560 . 6 1 1 A 57 57 ASP CB C 57 40.705 40.266 0.439 1
1 561 . 6 1 1 A 57 57 ASP N N 57 117.661 118.550 -0.889 1
1 562 . 6 1 1 A 58 58 GLY H H 58 7.481 7.863 -0.382 1
1 563 . 6 1 1 A 58 58 GLY HA2 H 58 4.202 3.956 0.246 1
1 564 . 6 1 1 A 58 58 GLY HA3 H 58 3.672 3.992 -0.320 1
1 565 . 6 1 1 A 58 58 GLY C C 58 174.062 173.362 0.700 1
1 566 . 6 1 1 A 58 58 GLY CA C 58 44.872 45.414 -0.542 1
1 567 . 6 1 1 A 58 58 GLY N N 58 103.794 106.884 -3.090 1
1 568 . 6 1 1 A 59 59 LEU H H 59 7.153 6.963 0.190 1
1 569 . 6 1 1 A 59 59 LEU HA H 59 4.123 4.253 -0.130 1
1 579 . 6 1 1 A 59 59 LEU C C 59 177.880 177.347 0.533 1
1 580 . 6 1 1 A 59 59 LEU CA C 59 55.114 54.241 0.873 1
1 581 . 6 1 1 A 59 59 LEU CB C 59 43.149 41.844 1.305 1
1 585 . 6 1 1 A 59 59 LEU N N 59 123.874 120.550 3.324 1
1 586 . 6 1 1 A 60 60 GLY H H 60 8.523 8.170 0.353 1
1 587 . 6 1 1 A 60 60 GLY HA2 H 60 4.091 4.001 0.090 1
1 588 . 6 1 1 A 60 60 GLY HA3 H 60 3.993 4.013 -0.020 1
1 589 . 6 1 1 A 60 60 GLY C C 60 174.634 175.049 -0.415 1
1 590 . 6 1 1 A 60 60 GLY CA C 60 44.995 45.008 -0.013 1
1 591 . 6 1 1 A 60 60 GLY N N 60 110.475 108.200 2.275 1
1 592 . 6 1 1 A 61 61 GLU H H 61 8.743 8.720 0.023 1
1 593 . 6 1 1 A 61 61 GLU HA H 61 3.873 3.879 -0.006 1
1 598 . 6 1 1 A 61 61 GLU C C 61 178.841 178.268 0.573 1
1 599 . 6 1 1 A 61 61 GLU CA C 61 59.577 59.337 0.240 1
1 600 . 6 1 1 A 61 61 GLU CB C 61 29.299 29.334 -0.035 1
1 602 . 6 1 1 A 61 61 GLU N N 61 122.609 122.393 0.216 1
1 603 . 6 1 1 A 62 62 GLU H H 62 9.063 7.916 1.147 1
1 604 . 6 1 1 A 62 62 GLU HA H 62 4.033 4.244 -0.211 1
1 609 . 6 1 1 A 62 62 GLU C C 62 179.086 178.944 0.142 1
1 610 . 6 1 1 A 62 62 GLU CA C 62 59.841 59.064 0.777 1
1 611 . 6 1 1 A 62 62 GLU CB C 62 28.660 29.134 -0.474 1
1 613 . 6 1 1 A 62 62 GLU N N 62 118.089 119.866 -1.777 1
1 614 . 6 1 1 A 63 63 GLN H H 63 7.563 8.002 -0.439 1
1 615 . 6 1 1 A 63 63 GLN HA H 63 4.282 4.027 0.255 1
1 622 . 6 1 1 A 63 63 GLN C C 63 179.406 179.093 0.313 1
1 623 . 6 1 1 A 63 63 GLN CA C 63 59.050 58.238 0.812 1
1 624 . 6 1 1 A 63 63 GLN CB C 63 29.089 28.423 0.666 1
1 626 . 6 1 1 A 63 63 GLN N N 63 118.216 119.339 -1.123 1
1 628 . 6 1 1 A 64 64 LYS H H 64 8.193 7.757 0.436 1
1 629 . 6 1 1 A 64 64 LYS HA H 64 3.933 4.153 -0.220 1
1 638 . 6 1 1 A 64 64 LYS C C 64 179.858 179.360 0.498 1
1 639 . 6 1 1 A 64 64 LYS CA C 64 60.774 59.392 1.382 1
1 640 . 6 1 1 A 64 64 LYS CB C 64 33.100 32.146 0.954 1
1 644 . 6 1 1 A 64 64 LYS N N 64 119.928 120.554 -0.626 1
1 645 . 6 1 1 A 65 65 GLN H H 65 8.459 8.007 0.452 1
1 646 . 6 1 1 A 65 65 GLN HA H 65 4.056 4.133 -0.077 1
1 653 . 6 1 1 A 65 65 GLN C C 65 177.751 178.191 -0.440 1
1 654 . 6 1 1 A 65 65 GLN CA C 65 58.891 58.610 0.281 1
1 655 . 6 1 1 A 65 65 GLN CB C 65 28.167 28.450 -0.283 1
1 657 . 6 1 1 A 65 65 GLN N N 65 117.874 118.101 -0.227 1
1 659 . 6 1 1 A 66 66 VAL H H 66 7.408 7.798 -0.390 1
1 660 . 6 1 1 A 66 66 VAL HA H 66 3.653 3.788 -0.135 1
1 668 . 6 1 1 A 66 66 VAL C C 66 178.900 177.313 1.587 1
1 669 . 6 1 1 A 66 66 VAL CA C 66 66.860 65.069 1.791 1
1 670 . 6 1 1 A 66 66 VAL CB C 66 31.784 31.240 0.544 1
1 673 . 6 1 1 A 66 66 VAL N N 66 119.348 120.465 -1.117 1
1 674 . 6 1 1 A 67 67 TYR H H 67 7.229 7.546 -0.317 1
1 675 . 6 1 1 A 67 67 TYR HA H 67 4.151 4.403 -0.252 1
1 682 . 6 1 1 A 67 67 TYR C C 67 178.776 178.740 0.036 1
1 683 . 6 1 1 A 67 67 TYR CA C 67 63.307 61.892 1.415 1
1 684 . 6 1 1 A 67 67 TYR CB C 67 39.308 37.749 1.559 1
1 689 . 6 1 1 A 67 67 TYR N N 67 117.638 121.106 -3.468 1
1 690 . 6 1 1 A 68 68 LYS H H 68 8.554 7.611 0.943 1
1 691 . 6 1 1 A 68 68 LYS HA H 68 4.195 4.374 -0.179 1
1 698 . 6 1 1 A 68 68 LYS C C 68 179.468 179.247 0.221 1
1 699 . 6 1 1 A 68 68 LYS CA C 68 60.703 58.880 1.823 1
1 700 . 6 1 1 A 68 68 LYS CB C 68 32.154 32.853 -0.699 1
1 704 . 6 1 1 A 68 68 LYS N N 68 121.795 121.065 0.730 1
1 705 . 6 1 1 A 69 69 LYS H H 69 8.883 7.828 1.055 1
1 706 . 6 1 1 A 69 69 LYS HA H 69 4.171 4.138 0.033 1
1 715 . 6 1 1 A 69 69 LYS C C 69 180.214 179.243 0.971 1
1 716 . 6 1 1 A 69 69 LYS CA C 69 59.824 59.836 -0.012 1
1 717 . 6 1 1 A 69 69 LYS CB C 69 32.072 32.217 -0.145 1
1 721 . 6 1 1 A 69 69 LYS N N 69 120.539 119.946 0.593 1
1 722 . 6 1 1 A 70 70 LYS H H 70 7.791 7.809 -0.018 1
1 723 . 6 1 1 A 70 70 LYS HA H 70 4.211 4.093 0.118 1
1 732 . 6 1 1 A 70 70 LYS C C 70 179.985 179.336 0.649 1
1 733 . 6 1 1 A 70 70 LYS CA C 70 60.017 59.543 0.474 1
1 734 . 6 1 1 A 70 70 LYS CB C 70 33.200 32.219 0.981 1
1 738 . 6 1 1 A 70 70 LYS N N 70 119.946 120.156 -0.210 1
1 739 . 6 1 1 A 71 71 THR H H 71 8.002 7.729 0.273 1
1 740 . 6 1 1 A 71 71 THR HA H 71 4.301 3.895 0.406 1
1 745 . 6 1 1 A 71 71 THR C C 71 176.462 176.616 -0.154 1
1 746 . 6 1 1 A 71 71 THR CA C 71 66.402 66.535 -0.133 1
1 747 . 6 1 1 A 71 71 THR CB C 71 68.949 68.319 0.630 1
1 749 . 6 1 1 A 71 71 THR N N 71 116.183 115.740 0.443 1
1 750 . 6 1 1 A 72 72 GLU H H 72 8.295 7.938 0.357 1
1 751 . 6 1 1 A 72 72 GLU HA H 72 4.143 4.030 0.113 1
1 756 . 6 1 1 A 72 72 GLU C C 72 179.498 179.212 0.286 1
1 757 . 6 1 1 A 72 72 GLU CA C 72 59.665 59.265 0.400 1
1 758 . 6 1 1 A 72 72 GLU CB C 72 29.400 29.046 0.354 1
1 760 . 6 1 1 A 72 72 GLU N N 72 123.438 119.785 3.653 1
1 761 . 6 1 1 A 73 73 ALA H H 73 8.063 7.895 0.168 1
1 762 . 6 1 1 A 73 73 ALA HA H 73 4.262 4.250 0.012 1
1 766 . 6 1 1 A 73 73 ALA C C 73 180.639 179.525 1.114 1
1 767 . 6 1 1 A 73 73 ALA CA C 73 55.268 54.803 0.465 1
1 768 . 6 1 1 A 73 73 ALA CB C 73 17.824 18.213 -0.389 1
1 769 . 6 1 1 A 73 73 ALA N N 73 122.231 122.863 -0.632 1
1 770 . 6 1 1 A 74 74 ALA H H 74 8.093 8.174 -0.081 1
1 771 . 6 1 1 A 74 74 ALA HA H 74 4.320 4.237 0.083 1
1 775 . 6 1 1 A 74 74 ALA C C 74 181.394 179.908 1.486 1
1 776 . 6 1 1 A 74 74 ALA CA C 74 54.904 53.351 1.553 1
1 777 . 6 1 1 A 74 74 ALA CB C 74 18.313 19.168 -0.855 1
1 778 . 6 1 1 A 74 74 ALA N N 74 121.882 119.606 2.276 1
1 779 . 6 1 1 A 75 75 LYS H H 75 8.661 7.877 0.784 1
1 780 . 6 1 1 A 75 75 LYS HA H 75 4.053 4.158 -0.105 1
1 786 . 6 1 1 A 75 75 LYS C C 75 178.096 178.564 -0.468 1
1 787 . 6 1 1 A 75 75 LYS CA C 75 60.510 59.426 1.084 1
1 788 . 6 1 1 A 75 75 LYS CB C 75 32.236 32.438 -0.202 1
1 792 . 6 1 1 A 75 75 LYS N N 75 121.652 118.344 3.308 1
1 793 . 6 1 1 A 76 76 LYS H H 76 7.855 8.001 -0.146 1
1 794 . 6 1 1 A 76 76 LYS HA H 76 4.110 3.978 0.132 1
1 799 . 6 1 1 A 76 76 LYS C C 76 179.822 178.643 1.179 1
1 800 . 6 1 1 A 76 76 LYS CA C 76 59.993 59.743 0.250 1
1 801 . 6 1 1 A 76 76 LYS CB C 76 32.401 32.235 0.166 1
1 805 . 6 1 1 A 76 76 LYS N N 76 119.219 119.173 0.046 1
1 806 . 6 1 1 A 77 77 GLU H H 77 7.880 8.264 -0.384 1
1 807 . 6 1 1 A 77 77 GLU HA H 77 4.233 4.097 0.136 1
1 812 . 6 1 1 A 77 77 GLU C C 77 178.358 178.238 0.120 1
1 813 . 6 1 1 A 77 77 GLU CA C 77 58.980 59.327 -0.347 1
1 814 . 6 1 1 A 77 77 GLU CB C 77 29.235 29.277 -0.042 1
1 816 . 6 1 1 A 77 77 GLU N N 77 119.640 117.479 2.161 1
1 817 . 6 1 1 A 78 78 TYR H H 78 8.391 7.963 0.428 1
1 818 . 6 1 1 A 78 78 TYR HA H 78 4.413 4.081 0.332 1
1 825 . 6 1 1 A 78 78 TYR C C 78 176.737 177.172 -0.435 1
1 826 . 6 1 1 A 78 78 TYR CA C 78 60.809 61.410 -0.601 1
1 827 . 6 1 1 A 78 78 TYR CB C 78 38.239 38.779 -0.540 1
1 832 . 6 1 1 A 78 78 TYR N N 78 121.464 122.156 -0.692 1
1 833 . 6 1 1 A 79 79 LEU H H 79 8.203 8.144 0.059 1
1 834 . 6 1 1 A 79 79 LEU HA H 79 3.764 3.634 0.130 1
1 844 . 6 1 1 A 79 79 LEU C C 79 180.728 178.904 1.824 1
1 845 . 6 1 1 A 79 79 LEU CA C 79 58.170 57.914 0.256 1
1 846 . 6 1 1 A 79 79 LEU CB C 79 41.445 41.482 -0.037 1
1 850 . 6 1 1 A 79 79 LEU N N 79 118.433 119.744 -1.311 1
1 851 . 6 1 1 A 80 80 LYS H H 80 7.523 8.010 -0.487 1
1 852 . 6 1 1 A 80 80 LYS HA H 80 4.134 3.807 0.327 1
1 861 . 6 1 1 A 80 80 LYS C C 80 179.804 179.657 0.147 1
1 862 . 6 1 1 A 80 80 LYS CA C 80 59.630 60.357 -0.727 1
1 863 . 6 1 1 A 80 80 LYS CB C 80 32.400 32.287 0.113 1
1 867 . 6 1 1 A 80 80 LYS N N 80 120.723 117.179 3.544 1
1 868 . 6 1 1 A 81 81 GLN H H 81 8.473 8.197 0.276 1
1 869 . 6 1 1 A 81 81 GLN HA H 81 4.144 3.934 0.210 1
1 876 . 6 1 1 A 81 81 GLN C C 81 179.906 178.148 1.758 1
1 877 . 6 1 1 A 81 81 GLN CA C 81 58.628 58.874 -0.246 1
1 878 . 6 1 1 A 81 81 GLN CB C 81 28.273 28.328 -0.055 1
1 880 . 6 1 1 A 81 81 GLN N N 81 120.899 119.081 1.818 1
1 882 . 6 1 1 A 82 82 LEU H H 82 9.233 8.081 1.152 1
1 883 . 6 1 1 A 82 82 LEU HA H 82 3.963 4.140 -0.177 1
1 893 . 6 1 1 A 82 82 LEU C C 82 178.293 178.273 0.020 1
1 894 . 6 1 1 A 82 82 LEU CA C 82 57.959 58.044 -0.085 1
1 895 . 6 1 1 A 82 82 LEU CB C 82 42.044 41.064 0.980 1
1 899 . 6 1 1 A 82 82 LEU N N 82 123.463 122.017 1.446 1
1 900 . 6 1 1 A 83 83 ALA H H 83 7.732 8.487 -0.755 1
1 901 . 6 1 1 A 83 83 ALA HA H 83 4.223 3.978 0.245 1
1 905 . 6 1 1 A 83 83 ALA C C 83 180.853 179.565 1.288 1
1 906 . 6 1 1 A 83 83 ALA CA C 83 54.944 54.841 0.103 1
1 907 . 6 1 1 A 83 83 ALA CB C 83 17.765 18.297 -0.532 1
1 908 . 6 1 1 A 83 83 ALA N N 83 120.956 120.020 0.936 1
1 909 . 6 1 1 A 84 84 ALA H H 84 7.716 7.710 0.006 1
1 910 . 6 1 1 A 84 84 ALA HA H 84 4.135 4.248 -0.113 1
1 914 . 6 1 1 A 84 84 ALA C C 84 180.256 179.022 1.234 1
1 915 . 6 1 1 A 84 84 ALA CA C 84 55.234 54.615 0.619 1
1 916 . 6 1 1 A 84 84 ALA CB C 84 17.806 19.020 -1.214 1
1 917 . 6 1 1 A 84 84 ALA N N 84 121.082 119.629 1.453 1
1 918 . 6 1 1 A 85 85 TYR H H 85 8.453 8.290 0.163 1
1 919 . 6 1 1 A 85 85 TYR HA H 85 4.310 4.081 0.229 1
1 926 . 6 1 1 A 85 85 TYR C C 85 178.538 177.556 0.982 1
1 927 . 6 1 1 A 85 85 TYR CA C 85 60.862 61.950 -1.088 1
1 928 . 6 1 1 A 85 85 TYR CB C 85 38.444 38.887 -0.443 1
1 933 . 6 1 1 A 85 85 TYR N N 85 121.359 120.429 0.930 1
1 934 . 6 1 1 A 86 86 ARG H H 86 8.734 7.889 0.845 1
1 935 . 6 1 1 A 86 86 ARG HA H 86 3.713 3.604 0.109 1
1 942 . 6 1 1 A 86 86 ARG C C 86 178.962 178.531 0.431 1
1 943 . 6 1 1 A 86 86 ARG CA C 86 59.454 59.389 0.065 1
1 944 . 6 1 1 A 86 86 ARG CB C 86 29.605 29.817 -0.212 1
1 947 . 6 1 1 A 86 86 ARG N N 86 119.740 118.159 1.581 1
1 948 . 6 1 1 A 87 87 ALA H H 87 7.853 8.290 -0.437 1
1 949 . 6 1 1 A 87 87 ALA HA H 87 4.195 4.036 0.159 1
1 953 . 6 1 1 A 87 87 ALA C C 87 179.605 179.965 -0.360 1
1 954 . 6 1 1 A 87 87 ALA CA C 87 54.353 55.166 -0.813 1
1 955 . 6 1 1 A 87 87 ALA CB C 87 17.971 18.883 -0.912 1
1 956 . 6 1 1 A 87 87 ALA N N 87 120.667 121.478 -0.811 1
1 957 . 6 1 1 A 88 88 SER H H 88 7.763 7.805 -0.042 1
1 958 . 6 1 1 A 88 88 SER HA H 88 4.347 4.239 0.108 1
1 961 . 6 1 1 A 88 88 SER C C 88 175.219 176.839 -1.620 1
1 962 . 6 1 1 A 88 88 SER CA C 88 60.158 61.842 -1.684 1
1 963 . 6 1 1 A 88 88 SER CB C 88 63.440 63.180 0.260 1
1 964 . 6 1 1 A 88 88 SER N N 88 114.332 114.179 0.153 1
1 965 . 6 1 1 A 89 89 LEU H H 89 7.344 7.858 -0.514 1
1 966 . 6 1 1 A 89 89 LEU HA H 89 4.163 4.023 0.140 1
1 976 . 6 1 1 A 89 89 LEU C C 89 178.335 177.182 1.153 1
1 977 . 6 1 1 A 89 89 LEU CA C 89 56.059 57.694 -1.635 1
1 978 . 6 1 1 A 89 89 LEU CB C 89 42.062 41.814 0.248 1
1 982 . 6 1 1 A 89 89 LEU N N 89 121.862 119.468 2.394 1
1 983 . 6 1 1 A 90 90 VAL H H 90 7.533 7.859 -0.326 1
1 984 . 6 1 1 A 90 90 VAL HA H 90 4.063 4.097 -0.034 1
1 992 . 6 1 1 A 90 90 VAL C C 90 176.743 175.219 1.524 1
1 993 . 6 1 1 A 90 90 VAL CA C 90 63.183 61.120 2.063 1
1 994 . 6 1 1 A 90 90 VAL CB C 90 32.318 32.997 -0.679 1
1 997 . 6 1 1 A 90 90 VAL N N 90 117.748 117.546 0.202 1
1 998 . 6 1 1 A 91 91 SER H H 91 8.059 8.584 -0.525 1
1 999 . 6 1 1 A 91 91 SER HA H 91 4.415 5.155 -0.740 1
1 1002 . 6 1 1 A 91 91 SER C C 91 174.854 173.587 1.267 1
1 1003 . 6 1 1 A 91 91 SER CA C 91 58.861 56.292 2.569 1
1 1004 . 6 1 1 A 91 91 SER CB C 91 63.810 63.529 0.281 1
1 1005 . 6 1 1 A 91 91 SER N N 91 117.663 116.092 1.571 1
1 1006 . 6 1 1 A 92 92 LYS H H 92 8.158 8.021 0.137 1
1 1007 . 6 1 1 A 92 92 LYS HA H 92 4.329 4.640 -0.311 1
1 1010 . 6 1 1 A 92 92 LYS C C 92 176.528 174.528 2.000 1
1 1011 . 6 1 1 A 92 92 LYS CA C 92 56.551 54.682 1.869 1
1 1012 . 6 1 1 A 92 92 LYS CB C 92 32.771 36.224 -3.453 1
1 1016 . 6 1 1 A 92 92 LYS N N 92 122.827 124.663 -1.836 1
1 1017 . 6 1 1 A 93 93 SER H H 93 8.186 8.604 -0.418 1
1 1018 . 6 1 1 A 93 93 SER HA H 93 4.444 5.210 -0.766 1
1 1021 . 6 1 1 A 93 93 SER C C 93 174.271 173.508 0.763 1
1 1022 . 6 1 1 A 93 93 SER CA C 93 58.504 56.605 1.899 1
1 1023 . 6 1 1 A 93 93 SER CB C 93 63.933 65.234 -1.301 1
1 1024 . 6 1 1 A 93 93 SER N N 93 116.068 116.868 -0.800 1
1 1025 . 6 1 1 A 94 94 TYR H H 94 8.146 8.335 -0.189 1
1 1026 . 6 1 1 A 94 94 TYR HA H 94 4.658 4.702 -0.044 1
1 1033 . 6 1 1 A 94 94 TYR C C 94 176.011 174.668 1.343 1
1 1034 . 6 1 1 A 94 94 TYR CA C 94 58.135 57.699 0.436 1
1 1035 . 6 1 1 A 94 94 TYR CB C 94 38.855 39.834 -0.979 1
1 1040 . 6 1 1 A 94 94 TYR N N 94 122.150 124.624 -2.474 1
1 1041 . 6 1 1 A 95 95 THR H H 95 8.024 8.730 -0.706 1
1 1042 . 6 1 1 A 95 95 THR HA H 95 4.333 5.130 -0.797 1
1 1047 . 6 1 1 A 95 95 THR C C 95 174.054 171.992 2.062 1
1 1048 . 6 1 1 A 95 95 THR CA C 95 61.740 60.126 1.614 1
1 1049 . 6 1 1 A 95 95 THR CB C 95 69.977 72.223 -2.246 1
1 1051 . 6 1 1 A 95 95 THR N N 95 115.298 114.601 0.697 1
1 1052 . 6 1 1 A 96 96 ASP H H 96 8.288 8.517 -0.229 1
1 1053 . 6 1 1 A 96 96 ASP HA H 96 4.663 5.278 -0.615 1
1 1056 . 6 1 1 A 96 96 ASP C C 96 176.252 175.708 0.544 1
1 1057 . 6 1 1 A 96 96 ASP CA C 96 54.494 53.719 0.775 1
1 1058 . 6 1 1 A 96 96 ASP CB C 96 41.404 42.306 -0.902 1
1 1059 . 6 1 1 A 96 96 ASP N N 96 122.969 126.605 -3.636 1
1 1060 . 6 1 1 A 97 97 SER H H 97 8.272 8.777 -0.505 1
1 1061 . 6 1 1 A 97 97 SER HA H 97 4.500 4.843 -0.343 1
1 1063 . 6 1 1 A 97 97 SER C C 97 174.845 172.664 2.181 1
1 1064 . 6 1 1 A 97 97 SER CA C 97 58.522 57.495 1.027 1
1 1065 . 6 1 1 A 97 97 SER CB C 97 63.656 66.136 -2.480 1
1 1066 . 6 1 1 A 97 97 SER N N 97 116.137 116.168 -0.031 1
1 1067 . 6 1 1 A 98 98 GLY H H 98 8.289 8.422 -0.133 1
1 1068 . 6 1 1 A 98 98 GLY HA2 H 98 4.123 4.197 -0.074 1
1 1069 . 6 1 1 A 98 98 GLY HA3 H 98 4.123 4.197 -0.074 1
1 1070 . 6 1 1 A 98 98 GLY C C 98 171.920 171.005 0.915 1
1 1071 . 6 1 1 A 98 98 GLY CA C 98 44.748 45.721 -0.973 1
1 1072 . 6 1 1 A 98 98 GLY N N 98 110.751 110.187 0.564 1
1 1073 . 6 1 1 A 99 99 PRO HA H 99 4.490 4.581 -0.091 1
1 1080 . 6 1 1 A 99 99 PRO CA C 99 63.373 62.524 0.849 1
1 1081 . 6 1 1 A 99 99 PRO CB C 99 32.247 33.192 -0.945 1
1 1 . 7 1 1 A 12 12 LYS HA H 12 4.317 4.265 0.052 1
1 6 . 7 1 1 A 12 12 LYS C C 12 176.329 177.339 -1.010 1
1 7 . 7 1 1 A 12 12 LYS CA C 12 56.223 56.742 -0.519 1
1 8 . 7 1 1 A 12 12 LYS CB C 12 33.117 32.903 0.214 1
1 12 . 7 1 1 A 13 13 LYS H H 13 8.394 8.601 -0.207 1
1 13 . 7 1 1 A 13 13 LYS HA H 13 4.273 3.909 0.364 1
1 18 . 7 1 1 A 13 13 LYS C C 13 175.990 176.026 -0.036 1
1 19 . 7 1 1 A 13 13 LYS CA C 13 56.222 59.809 -3.587 1
1 20 . 7 1 1 A 13 13 LYS CB C 13 33.223 32.426 0.797 1
1 24 . 7 1 1 A 13 13 LYS N N 13 123.900 123.570 0.330 1
1 25 . 7 1 1 A 14 14 ASP H H 14 8.625 7.883 0.742 1
1 26 . 7 1 1 A 14 14 ASP HA H 14 4.902 5.025 -0.123 1
1 29 . 7 1 1 A 14 14 ASP CA C 14 51.958 50.577 1.381 1
1 30 . 7 1 1 A 14 14 ASP CB C 14 41.422 44.504 -3.082 1
1 31 . 7 1 1 A 14 14 ASP N N 14 124.861 114.991 9.870 1
1 32 . 7 1 1 A 15 15 PRO HA H 15 4.442 4.587 -0.145 1
1 39 . 7 1 1 A 15 15 PRO C C 15 176.634 175.189 1.445 1
1 40 . 7 1 1 A 15 15 PRO CA C 15 63.606 62.410 1.196 1
1 41 . 7 1 1 A 15 15 PRO CB C 15 32.323 33.293 -0.970 1
1 44 . 7 1 1 A 16 16 ASN H H 16 8.414 8.745 -0.331 1
1 45 . 7 1 1 A 16 16 ASN HA H 16 4.683 4.956 -0.273 1
1 50 . 7 1 1 A 16 16 ASN C C 16 174.365 173.899 0.466 1
1 51 . 7 1 1 A 16 16 ASN CA C 16 52.946 51.599 1.347 1
1 52 . 7 1 1 A 16 16 ASN CB C 16 39.266 41.703 -2.437 1
1 53 . 7 1 1 A 16 16 ASN N N 16 116.873 117.867 -0.994 1
1 55 . 7 1 1 A 17 17 GLU H H 17 7.712 7.933 -0.221 1
1 56 . 7 1 1 A 17 17 GLU HA H 17 3.233 3.035 0.198 1
1 61 . 7 1 1 A 17 17 GLU C C 17 174.415 174.833 -0.418 1
1 62 . 7 1 1 A 17 17 GLU CA C 17 54.423 56.559 -2.136 1
1 63 . 7 1 1 A 17 17 GLU CB C 17 29.911 28.587 1.324 1
1 65 . 7 1 1 A 17 17 GLU N N 17 122.673 119.996 2.677 1
1 66 . 7 1 1 A 18 18 PRO HA H 18 4.384 4.519 -0.135 1
1 73 . 7 1 1 A 18 18 PRO CA C 18 62.896 62.665 0.231 1
1 74 . 7 1 1 A 18 18 PRO CB C 18 31.963 32.552 -0.589 1
1 77 . 7 1 1 A 19 19 GLN H H 19 8.654 8.382 0.272 1
1 78 . 7 1 1 A 19 19 GLN HA H 19 4.293 4.876 -0.583 1
1 85 . 7 1 1 A 19 19 GLN C C 19 175.384 174.482 0.902 1
1 86 . 7 1 1 A 19 19 GLN CA C 19 55.057 54.644 0.413 1
1 87 . 7 1 1 A 19 19 GLN CB C 19 29.793 30.133 -0.340 1
1 89 . 7 1 1 A 19 19 GLN N N 19 122.106 118.068 4.038 1
1 91 . 7 1 1 A 20 20 LYS H H 20 8.383 8.370 0.013 1
1 92 . 7 1 1 A 20 20 LYS HA H 20 3.393 2.505 0.888 1
1 101 . 7 1 1 A 20 20 LYS C C 20 174.706 174.805 -0.099 1
1 102 . 7 1 1 A 20 20 LYS CA C 20 54.951 53.726 1.225 1
1 103 . 7 1 1 A 20 20 LYS CB C 20 31.802 32.642 -0.840 1
1 107 . 7 1 1 A 20 20 LYS N N 20 124.861 126.003 -1.142 1
1 108 . 7 1 1 A 21 21 PRO HA H 21 4.500 4.540 -0.040 1
1 115 . 7 1 1 A 21 21 PRO C C 21 176.741 176.174 0.567 1
1 116 . 7 1 1 A 21 21 PRO CA C 21 62.396 62.235 0.161 1
1 117 . 7 1 1 A 21 21 PRO CB C 21 32.392 32.501 -0.109 1
1 120 . 7 1 1 A 22 22 VAL H H 22 7.850 8.183 -0.333 1
1 121 . 7 1 1 A 22 22 VAL HA H 22 4.303 4.714 -0.411 1
1 129 . 7 1 1 A 22 22 VAL C C 22 175.615 175.149 0.466 1
1 130 . 7 1 1 A 22 22 VAL CA C 22 60.967 59.176 1.791 1
1 131 . 7 1 1 A 22 22 VAL CB C 22 32.342 35.212 -2.870 1
1 134 . 7 1 1 A 22 22 VAL N N 22 115.924 115.645 0.279 1
1 135 . 7 1 1 A 23 23 SER H H 23 8.125 8.442 -0.317 1
1 136 . 7 1 1 A 23 23 SER HA H 23 4.433 4.401 0.032 1
1 139 . 7 1 1 A 23 23 SER C C 23 173.516 175.503 -1.987 1
1 140 . 7 1 1 A 23 23 SER CA C 23 57.590 59.175 -1.585 1
1 141 . 7 1 1 A 23 23 SER CB C 23 65.578 63.972 1.606 1
1 142 . 7 1 1 A 23 23 SER N N 23 116.922 118.477 -1.555 1
1 143 . 7 1 1 A 24 24 ALA H H 24 8.707 8.978 -0.271 1
1 144 . 7 1 1 A 24 24 ALA HA H 24 4.046 4.257 -0.211 1
1 148 . 7 1 1 A 24 24 ALA C C 24 178.727 179.247 -0.520 1
1 149 . 7 1 1 A 24 24 ALA CA C 24 55.971 55.263 0.708 1
1 150 . 7 1 1 A 24 24 ALA CB C 24 18.505 18.794 -0.289 1
1 151 . 7 1 1 A 24 24 ALA N N 24 123.025 126.774 -3.749 1
1 152 . 7 1 1 A 25 25 TYR H H 25 8.119 8.039 0.080 1
1 153 . 7 1 1 A 25 25 TYR HA H 25 2.678 2.604 0.074 1
1 160 . 7 1 1 A 25 25 TYR C C 25 176.253 177.388 -1.135 1
1 161 . 7 1 1 A 25 25 TYR CA C 25 60.281 60.517 -0.236 1
1 162 . 7 1 1 A 25 25 TYR CB C 25 37.951 37.954 -0.003 1
1 167 . 7 1 1 A 25 25 TYR N N 25 115.954 119.227 -3.273 1
1 168 . 7 1 1 A 26 26 ALA H H 26 7.742 7.698 0.044 1
1 169 . 7 1 1 A 26 26 ALA HA H 26 3.758 3.713 0.045 1
1 173 . 7 1 1 A 26 26 ALA C C 26 181.489 179.426 2.063 1
1 174 . 7 1 1 A 26 26 ALA CA C 26 54.859 54.430 0.429 1
1 175 . 7 1 1 A 26 26 ALA CB C 26 18.029 18.481 -0.452 1
1 176 . 7 1 1 A 26 26 ALA N N 26 121.384 121.145 0.239 1
1 177 . 7 1 1 A 27 27 LEU H H 27 7.991 8.088 -0.097 1
1 178 . 7 1 1 A 27 27 LEU HA H 27 4.023 3.974 0.049 1
1 188 . 7 1 1 A 27 27 LEU C C 27 178.625 177.858 0.767 1
1 189 . 7 1 1 A 27 27 LEU CA C 27 57.876 57.724 0.152 1
1 190 . 7 1 1 A 27 27 LEU CB C 27 42.103 41.525 0.578 1
1 194 . 7 1 1 A 27 27 LEU N N 27 120.626 118.987 1.639 1
1 195 . 7 1 1 A 28 28 PHE H H 28 7.706 7.885 -0.179 1
1 196 . 7 1 1 A 28 28 PHE HA H 28 3.653 3.979 -0.326 1
1 204 . 7 1 1 A 28 28 PHE C C 28 178.640 177.411 1.229 1
1 205 . 7 1 1 A 28 28 PHE CA C 28 61.653 59.431 2.222 1
1 206 . 7 1 1 A 28 28 PHE CB C 28 39.060 39.617 -0.557 1
1 212 . 7 1 1 A 28 28 PHE N N 28 122.656 119.176 3.480 1
1 213 . 7 1 1 A 29 29 PHE H H 29 9.246 8.165 1.081 1
1 214 . 7 1 1 A 29 29 PHE HA H 29 3.483 3.791 -0.308 1
1 222 . 7 1 1 A 29 29 PHE C C 29 177.478 177.552 -0.074 1
1 223 . 7 1 1 A 29 29 PHE CA C 29 61.126 60.877 0.249 1
1 224 . 7 1 1 A 29 29 PHE CB C 29 38.837 38.711 0.126 1
1 230 . 7 1 1 A 29 29 PHE N N 29 123.986 119.551 4.435 1
1 231 . 7 1 1 A 30 30 ARG H H 30 8.044 8.146 -0.102 1
1 232 . 7 1 1 A 30 30 ARG HA H 30 4.046 4.171 -0.125 1
1 239 . 7 1 1 A 30 30 ARG C C 30 179.156 177.373 1.783 1
1 240 . 7 1 1 A 30 30 ARG CA C 30 59.542 57.945 1.597 1
1 241 . 7 1 1 A 30 30 ARG CB C 30 30.053 28.921 1.132 1
1 244 . 7 1 1 A 30 30 ARG N N 30 119.141 118.337 0.804 1
1 245 . 7 1 1 A 31 31 ASP H H 31 7.712 7.911 -0.199 1
1 246 . 7 1 1 A 31 31 ASP HA H 31 4.523 4.575 -0.052 1
1 249 . 7 1 1 A 31 31 ASP C C 31 177.850 177.575 0.275 1
1 250 . 7 1 1 A 31 31 ASP CA C 31 56.516 55.938 0.578 1
1 251 . 7 1 1 A 31 31 ASP CB C 31 40.664 41.351 -0.687 1
1 252 . 7 1 1 A 31 31 ASP N N 31 118.527 118.647 -0.120 1
1 253 . 7 1 1 A 32 32 THR H H 32 7.704 7.211 0.493 1
1 254 . 7 1 1 A 32 32 THR HA H 32 3.953 3.854 0.099 1
1 259 . 7 1 1 A 32 32 THR C C 32 175.637 175.588 0.049 1
1 260 . 7 1 1 A 32 32 THR CA C 32 65.030 65.621 -0.591 1
1 261 . 7 1 1 A 32 32 THR CB C 32 69.195 68.539 0.656 1
1 263 . 7 1 1 A 32 32 THR N N 32 115.935 115.115 0.820 1
1 264 . 7 1 1 A 33 33 GLN H H 33 8.361 7.957 0.404 1
1 265 . 7 1 1 A 33 33 GLN HA H 33 3.373 3.589 -0.216 1
1 272 . 7 1 1 A 33 33 GLN C C 33 176.526 177.724 -1.198 1
1 273 . 7 1 1 A 33 33 GLN CA C 33 60.000 58.852 1.148 1
1 274 . 7 1 1 A 33 33 GLN CB C 33 26.827 28.163 -1.336 1
1 276 . 7 1 1 A 33 33 GLN N N 33 120.539 119.395 1.144 1
1 278 . 7 1 1 A 34 34 ALA H H 34 8.053 8.028 0.025 1
1 279 . 7 1 1 A 34 34 ALA HA H 34 3.964 3.995 -0.031 1
1 283 . 7 1 1 A 34 34 ALA C C 34 180.762 179.802 0.960 1
1 284 . 7 1 1 A 34 34 ALA CA C 34 55.338 55.098 0.240 1
1 285 . 7 1 1 A 34 34 ALA CB C 34 17.724 18.578 -0.854 1
1 286 . 7 1 1 A 34 34 ALA N N 34 120.505 120.566 -0.061 1
1 287 . 7 1 1 A 35 35 ALA H H 35 7.763 8.031 -0.268 1
1 288 . 7 1 1 A 35 35 ALA HA H 35 4.135 4.090 0.045 1
1 292 . 7 1 1 A 35 35 ALA C C 35 180.801 180.198 0.603 1
1 293 . 7 1 1 A 35 35 ALA CA C 35 54.635 55.105 -0.470 1
1 294 . 7 1 1 A 35 35 ALA CB C 35 17.888 18.437 -0.549 1
1 295 . 7 1 1 A 35 35 ALA N N 35 122.109 120.041 2.068 1
1 296 . 7 1 1 A 36 36 ILE H H 36 7.673 7.794 -0.121 1
1 297 . 7 1 1 A 36 36 ILE HA H 36 3.753 3.633 0.120 1
1 307 . 7 1 1 A 36 36 ILE C C 36 179.213 177.802 1.411 1
1 308 . 7 1 1 A 36 36 ILE CA C 36 62.955 64.853 -1.898 1
1 309 . 7 1 1 A 36 36 ILE CB C 36 36.388 37.447 -1.059 1
1 313 . 7 1 1 A 36 36 ILE N N 36 118.252 119.117 -0.865 1
1 314 . 7 1 1 A 37 37 LYS H H 37 8.444 8.589 -0.145 1
1 315 . 7 1 1 A 37 37 LYS HA H 37 3.982 3.968 0.014 1
1 324 . 7 1 1 A 37 37 LYS C C 37 178.872 179.371 -0.499 1
1 325 . 7 1 1 A 37 37 LYS CA C 37 58.715 59.953 -1.238 1
1 326 . 7 1 1 A 37 37 LYS CB C 37 31.802 32.171 -0.369 1
1 330 . 7 1 1 A 37 37 LYS N N 37 121.415 119.928 1.487 1
1 331 . 7 1 1 A 38 38 GLY H H 38 7.873 8.489 -0.616 1
1 332 . 7 1 1 A 38 38 GLY HA2 H 38 3.849 3.748 0.101 1
1 333 . 7 1 1 A 38 38 GLY HA3 H 38 3.849 3.755 0.094 1
1 334 . 7 1 1 A 38 38 GLY C C 38 175.341 176.359 -1.018 1
1 335 . 7 1 1 A 38 38 GLY CA C 38 46.490 47.417 -0.927 1
1 336 . 7 1 1 A 38 38 GLY N N 38 104.723 107.233 -2.510 1
1 337 . 7 1 1 A 39 39 GLN H H 39 7.288 7.497 -0.209 1
1 338 . 7 1 1 A 39 39 GLN HA H 39 4.313 4.199 0.114 1
1 345 . 7 1 1 A 39 39 GLN C C 39 175.814 176.075 -0.261 1
1 346 . 7 1 1 A 39 39 GLN CA C 39 56.482 57.670 -1.188 1
1 347 . 7 1 1 A 39 39 GLN CB C 39 30.074 29.148 0.926 1
1 349 . 7 1 1 A 39 39 GLN N N 39 117.295 120.146 -2.851 1
1 351 . 7 1 1 A 40 40 ASN H H 40 7.780 7.942 -0.162 1
1 352 . 7 1 1 A 40 40 ASN HA H 40 5.159 5.203 -0.044 1
1 357 . 7 1 1 A 40 40 ASN C C 40 172.428 173.436 -1.008 1
1 358 . 7 1 1 A 40 40 ASN CA C 40 50.877 50.325 0.552 1
1 359 . 7 1 1 A 40 40 ASN CB C 40 39.595 38.776 0.819 1
1 360 . 7 1 1 A 40 40 ASN N N 40 115.989 117.076 -1.087 1
1 362 . 7 1 1 A 41 41 PRO HA H 41 4.523 4.383 0.140 1
1 369 . 7 1 1 A 41 41 PRO C C 41 177.550 177.518 0.032 1
1 370 . 7 1 1 A 41 41 PRO CA C 41 64.837 64.368 0.469 1
1 371 . 7 1 1 A 41 41 PRO CB C 41 32.073 31.918 0.155 1
1 374 . 7 1 1 A 42 42 ASN H H 42 8.363 8.791 -0.428 1
1 375 . 7 1 1 A 42 42 ASN HA H 42 4.853 4.504 0.349 1
1 380 . 7 1 1 A 42 42 ASN C C 42 175.387 176.457 -1.070 1
1 381 . 7 1 1 A 42 42 ASN CA C 42 52.753 55.256 -2.503 1
1 382 . 7 1 1 A 42 42 ASN CB C 42 38.879 38.364 0.515 1
1 383 . 7 1 1 A 42 42 ASN N N 42 114.677 116.731 -2.054 1
1 385 . 7 1 1 A 43 43 ALA H H 43 7.533 7.234 0.299 1
1 386 . 7 1 1 A 43 43 ALA HA H 43 4.443 4.330 0.113 1
1 390 . 7 1 1 A 43 43 ALA C C 43 178.490 176.815 1.675 1
1 391 . 7 1 1 A 43 43 ALA CA C 43 52.647 52.680 -0.033 1
1 392 . 7 1 1 A 43 43 ALA CB C 43 19.314 19.561 -0.247 1
1 393 . 7 1 1 A 43 43 ALA N N 43 124.307 122.104 2.203 1
1 394 . 7 1 1 A 44 44 THR H H 44 8.698 8.819 -0.121 1
1 395 . 7 1 1 A 44 44 THR HA H 44 4.482 4.580 -0.098 1
1 400 . 7 1 1 A 44 44 THR C C 44 175.408 175.507 -0.099 1
1 401 . 7 1 1 A 44 44 THR CA C 44 60.791 61.623 -0.832 1
1 402 . 7 1 1 A 44 44 THR CB C 44 71.516 69.572 1.944 1
1 404 . 7 1 1 A 44 44 THR N N 44 114.309 116.830 -2.521 1
1 405 . 7 1 1 A 45 45 PHE HA H 45 4.303 4.170 0.133 1
1 410 . 7 1 1 A 45 45 PHE CA C 45 61.982 61.596 0.386 1
1 411 . 7 1 1 A 45 45 PHE CB C 45 38.942 39.942 -1.000 1
1 414 . 7 1 1 A 46 46 GLY HA2 H 46 3.962 3.608 0.354 1
1 415 . 7 1 1 A 46 46 GLY HA3 H 46 3.745 3.679 0.066 1
1 416 . 7 1 1 A 46 46 GLY C C 46 176.621 175.942 0.679 1
1 417 . 7 1 1 A 46 46 GLY CA C 46 46.930 47.314 -0.384 1
1 418 . 7 1 1 A 47 47 GLU H H 47 7.692 8.202 -0.510 1
1 419 . 7 1 1 A 47 47 GLU HA H 47 4.053 4.080 -0.027 1
1 424 . 7 1 1 A 47 47 GLU C C 47 179.472 179.041 0.431 1
1 425 . 7 1 1 A 47 47 GLU CA C 47 59.296 59.256 0.040 1
1 426 . 7 1 1 A 47 47 GLU CB C 47 29.769 29.495 0.274 1
1 428 . 7 1 1 A 47 47 GLU N N 47 123.040 121.596 1.444 1
1 429 . 7 1 1 A 48 48 VAL H H 48 8.504 7.871 0.633 1
1 430 . 7 1 1 A 48 48 VAL HA H 48 3.413 3.571 -0.158 1
1 438 . 7 1 1 A 48 48 VAL C C 48 177.640 178.203 -0.563 1
1 439 . 7 1 1 A 48 48 VAL CA C 48 67.159 66.156 1.003 1
1 440 . 7 1 1 A 48 48 VAL CB C 48 31.820 31.499 0.321 1
1 443 . 7 1 1 A 48 48 VAL N N 48 120.194 120.785 -0.591 1
1 444 . 7 1 1 A 49 49 SER H H 49 8.442 7.877 0.565 1
1 445 . 7 1 1 A 49 49 SER HA H 49 4.093 4.164 -0.071 1
1 448 . 7 1 1 A 49 49 SER C C 49 176.016 176.488 -0.472 1
1 449 . 7 1 1 A 49 49 SER CA C 49 62.500 61.484 1.016 1
1 450 . 7 1 1 A 49 49 SER CB C 49 62.653 62.705 -0.052 1
1 451 . 7 1 1 A 49 49 SER N N 49 113.484 114.379 -0.895 1
1 452 . 7 1 1 A 50 50 LYS H H 50 7.474 7.890 -0.416 1
1 453 . 7 1 1 A 50 50 LYS HA H 50 4.132 4.060 0.072 1
1 462 . 7 1 1 A 50 50 LYS C C 50 179.463 178.822 0.641 1
1 463 . 7 1 1 A 50 50 LYS CA C 50 59.525 59.244 0.281 1
1 464 . 7 1 1 A 50 50 LYS CB C 50 32.606 32.224 0.382 1
1 468 . 7 1 1 A 50 50 LYS N N 50 120.865 121.105 -0.240 1
1 469 . 7 1 1 A 51 51 ILE H H 51 7.853 7.689 0.164 1
1 470 . 7 1 1 A 51 51 ILE HA H 51 3.793 3.767 0.026 1
1 480 . 7 1 1 A 51 51 ILE C C 51 179.105 178.249 0.856 1
1 481 . 7 1 1 A 51 51 ILE CA C 51 65.488 65.033 0.455 1
1 482 . 7 1 1 A 51 51 ILE CB C 51 38.603 38.022 0.581 1
1 486 . 7 1 1 A 51 51 ILE N N 51 121.720 120.522 1.198 1
1 487 . 7 1 1 A 52 52 VAL H H 52 8.703 7.955 0.748 1
1 488 . 7 1 1 A 52 52 VAL HA H 52 3.659 3.567 0.092 1
1 496 . 7 1 1 A 52 52 VAL C C 52 178.262 178.226 0.036 1
1 497 . 7 1 1 A 52 52 VAL CA C 52 67.388 66.685 0.703 1
1 498 . 7 1 1 A 52 52 VAL CB C 52 31.185 31.297 -0.112 1
1 501 . 7 1 1 A 52 52 VAL N N 52 121.006 120.313 0.693 1
1 502 . 7 1 1 A 53 53 ALA H H 53 8.343 8.981 -0.638 1
1 503 . 7 1 1 A 53 53 ALA HA H 53 4.412 4.310 0.102 1
1 507 . 7 1 1 A 53 53 ALA C C 53 180.884 180.596 0.288 1
1 508 . 7 1 1 A 53 53 ALA CA C 53 56.271 55.512 0.759 1
1 509 . 7 1 1 A 53 53 ALA CB C 53 17.888 18.012 -0.124 1
1 510 . 7 1 1 A 53 53 ALA N N 53 122.645 122.718 -0.073 1
1 511 . 7 1 1 A 54 54 SER H H 54 7.905 7.650 0.255 1
1 512 . 7 1 1 A 54 54 SER HA H 54 4.415 4.248 0.167 1
1 515 . 7 1 1 A 54 54 SER C C 54 177.818 176.629 1.189 1
1 516 . 7 1 1 A 54 54 SER CA C 54 61.635 61.339 0.296 1
1 517 . 7 1 1 A 54 54 SER CB C 54 62.947 63.323 -0.376 1
1 518 . 7 1 1 A 54 54 SER N N 54 114.062 114.404 -0.342 1
1 519 . 7 1 1 A 55 55 MET H H 55 8.553 8.320 0.233 1
1 520 . 7 1 1 A 55 55 MET HA H 55 4.194 4.240 -0.046 1
1 528 . 7 1 1 A 55 55 MET C C 55 179.156 178.472 0.684 1
1 529 . 7 1 1 A 55 55 MET CA C 55 59.190 58.855 0.335 1
1 530 . 7 1 1 A 55 55 MET CB C 55 33.551 34.032 -0.481 1
1 533 . 7 1 1 A 55 55 MET N N 55 123.394 119.649 3.745 1
1 534 . 7 1 1 A 56 56 TRP H H 56 8.864 8.708 0.156 1
1 535 . 7 1 1 A 56 56 TRP HA H 56 3.899 3.907 -0.008 1
1 544 . 7 1 1 A 56 56 TRP C C 56 178.213 178.162 0.051 1
1 545 . 7 1 1 A 56 56 TRP CA C 56 59.806 61.236 -1.430 1
1 546 . 7 1 1 A 56 56 TRP CB C 56 30.281 29.681 0.600 1
1 552 . 7 1 1 A 56 56 TRP N N 56 121.428 122.777 -1.349 1
1 554 . 7 1 1 A 57 57 ASP H H 57 8.061 8.220 -0.159 1
1 555 . 7 1 1 A 57 57 ASP HA H 57 4.253 4.379 -0.126 1
1 558 . 7 1 1 A 57 57 ASP C C 57 178.103 177.709 0.394 1
1 559 . 7 1 1 A 57 57 ASP CA C 57 57.186 56.694 0.492 1
1 560 . 7 1 1 A 57 57 ASP CB C 57 40.705 40.514 0.191 1
1 561 . 7 1 1 A 57 57 ASP N N 57 117.661 118.824 -1.163 1
1 562 . 7 1 1 A 58 58 GLY H H 58 7.481 7.979 -0.498 1
1 563 . 7 1 1 A 58 58 GLY HA2 H 58 4.202 3.943 0.259 1
1 564 . 7 1 1 A 58 58 GLY HA3 H 58 3.672 3.973 -0.301 1
1 565 . 7 1 1 A 58 58 GLY C C 58 174.062 173.936 0.126 1
1 566 . 7 1 1 A 58 58 GLY CA C 58 44.872 45.067 -0.195 1
1 567 . 7 1 1 A 58 58 GLY N N 58 103.794 107.117 -3.323 1
1 568 . 7 1 1 A 59 59 LEU H H 59 7.153 7.371 -0.218 1
1 569 . 7 1 1 A 59 59 LEU HA H 59 4.123 4.132 -0.009 1
1 579 . 7 1 1 A 59 59 LEU C C 59 177.880 176.893 0.987 1
1 580 . 7 1 1 A 59 59 LEU CA C 59 55.114 54.791 0.323 1
1 581 . 7 1 1 A 59 59 LEU CB C 59 43.149 42.112 1.037 1
1 585 . 7 1 1 A 59 59 LEU N N 59 123.874 120.732 3.142 1
1 586 . 7 1 1 A 60 60 GLY H H 60 8.523 8.368 0.155 1
1 587 . 7 1 1 A 60 60 GLY HA2 H 60 4.091 4.005 0.086 1
1 588 . 7 1 1 A 60 60 GLY HA3 H 60 3.993 4.015 -0.022 1
1 589 . 7 1 1 A 60 60 GLY C C 60 174.634 174.697 -0.063 1
1 590 . 7 1 1 A 60 60 GLY CA C 60 44.995 44.739 0.256 1
1 591 . 7 1 1 A 60 60 GLY N N 60 110.475 109.017 1.458 1
1 592 . 7 1 1 A 61 61 GLU H H 61 8.743 8.810 -0.067 1
1 593 . 7 1 1 A 61 61 GLU HA H 61 3.873 3.886 -0.013 1
1 598 . 7 1 1 A 61 61 GLU C C 61 178.841 178.253 0.588 1
1 599 . 7 1 1 A 61 61 GLU CA C 61 59.577 59.403 0.174 1
1 600 . 7 1 1 A 61 61 GLU CB C 61 29.299 29.265 0.034 1
1 602 . 7 1 1 A 61 61 GLU N N 61 122.609 120.348 2.261 1
1 603 . 7 1 1 A 62 62 GLU H H 62 9.063 7.974 1.089 1
1 604 . 7 1 1 A 62 62 GLU HA H 62 4.033 4.354 -0.321 1
1 609 . 7 1 1 A 62 62 GLU C C 62 179.086 178.391 0.695 1
1 610 . 7 1 1 A 62 62 GLU CA C 62 59.841 59.259 0.582 1
1 611 . 7 1 1 A 62 62 GLU CB C 62 28.660 29.264 -0.604 1
1 613 . 7 1 1 A 62 62 GLU N N 62 118.089 119.535 -1.446 1
1 614 . 7 1 1 A 63 63 GLN H H 63 7.563 7.562 0.001 1
1 615 . 7 1 1 A 63 63 GLN HA H 63 4.282 3.964 0.318 1
1 622 . 7 1 1 A 63 63 GLN C C 63 179.406 178.823 0.583 1
1 623 . 7 1 1 A 63 63 GLN CA C 63 59.050 58.164 0.886 1
1 624 . 7 1 1 A 63 63 GLN CB C 63 29.089 28.539 0.550 1
1 626 . 7 1 1 A 63 63 GLN N N 63 118.216 119.046 -0.830 1
1 628 . 7 1 1 A 64 64 LYS H H 64 8.193 8.079 0.114 1
1 629 . 7 1 1 A 64 64 LYS HA H 64 3.933 3.853 0.080 1
1 638 . 7 1 1 A 64 64 LYS C C 64 179.858 179.122 0.736 1
1 639 . 7 1 1 A 64 64 LYS CA C 64 60.774 59.223 1.551 1
1 640 . 7 1 1 A 64 64 LYS CB C 64 33.100 32.074 1.026 1
1 644 . 7 1 1 A 64 64 LYS N N 64 119.928 120.329 -0.401 1
1 645 . 7 1 1 A 65 65 GLN H H 65 8.459 8.252 0.207 1
1 646 . 7 1 1 A 65 65 GLN HA H 65 4.056 4.143 -0.087 1
1 653 . 7 1 1 A 65 65 GLN C C 65 177.751 177.979 -0.228 1
1 654 . 7 1 1 A 65 65 GLN CA C 65 58.891 58.679 0.212 1
1 655 . 7 1 1 A 65 65 GLN CB C 65 28.167 28.444 -0.277 1
1 657 . 7 1 1 A 65 65 GLN N N 65 117.874 118.243 -0.369 1
1 659 . 7 1 1 A 66 66 VAL H H 66 7.408 7.812 -0.404 1
1 660 . 7 1 1 A 66 66 VAL HA H 66 3.653 3.705 -0.052 1
1 668 . 7 1 1 A 66 66 VAL C C 66 178.900 177.361 1.539 1
1 669 . 7 1 1 A 66 66 VAL CA C 66 66.860 65.362 1.498 1
1 670 . 7 1 1 A 66 66 VAL CB C 66 31.784 31.190 0.594 1
1 673 . 7 1 1 A 66 66 VAL N N 66 119.348 120.151 -0.803 1
1 674 . 7 1 1 A 67 67 TYR H H 67 7.229 7.502 -0.273 1
1 675 . 7 1 1 A 67 67 TYR HA H 67 4.151 4.390 -0.239 1
1 682 . 7 1 1 A 67 67 TYR C C 67 178.776 178.525 0.251 1
1 683 . 7 1 1 A 67 67 TYR CA C 67 63.307 60.940 2.367 1
1 684 . 7 1 1 A 67 67 TYR CB C 67 39.308 38.259 1.049 1
1 689 . 7 1 1 A 67 67 TYR N N 67 117.638 120.911 -3.273 1
1 690 . 7 1 1 A 68 68 LYS H H 68 8.554 8.647 -0.093 1
1 691 . 7 1 1 A 68 68 LYS HA H 68 4.195 4.306 -0.111 1
1 698 . 7 1 1 A 68 68 LYS C C 68 179.468 179.582 -0.114 1
1 699 . 7 1 1 A 68 68 LYS CA C 68 60.703 59.123 1.580 1
1 700 . 7 1 1 A 68 68 LYS CB C 68 32.154 32.619 -0.465 1
1 704 . 7 1 1 A 68 68 LYS N N 68 121.795 120.604 1.191 1
1 705 . 7 1 1 A 69 69 LYS H H 69 8.883 8.063 0.820 1
1 706 . 7 1 1 A 69 69 LYS HA H 69 4.171 4.104 0.067 1
1 715 . 7 1 1 A 69 69 LYS C C 69 180.214 179.391 0.823 1
1 716 . 7 1 1 A 69 69 LYS CA C 69 59.824 59.799 0.025 1
1 717 . 7 1 1 A 69 69 LYS CB C 69 32.072 32.042 0.030 1
1 721 . 7 1 1 A 69 69 LYS N N 69 120.539 119.923 0.616 1
1 722 . 7 1 1 A 70 70 LYS H H 70 7.791 7.947 -0.156 1
1 723 . 7 1 1 A 70 70 LYS HA H 70 4.211 4.091 0.120 1
1 732 . 7 1 1 A 70 70 LYS C C 70 179.985 179.378 0.607 1
1 733 . 7 1 1 A 70 70 LYS CA C 70 60.017 59.403 0.614 1
1 734 . 7 1 1 A 70 70 LYS CB C 70 33.200 32.459 0.741 1
1 738 . 7 1 1 A 70 70 LYS N N 70 119.946 119.950 -0.004 1
1 739 . 7 1 1 A 71 71 THR H H 71 8.002 7.922 0.080 1
1 740 . 7 1 1 A 71 71 THR HA H 71 4.301 3.919 0.382 1
1 745 . 7 1 1 A 71 71 THR C C 71 176.462 176.786 -0.324 1
1 746 . 7 1 1 A 71 71 THR CA C 71 66.402 66.296 0.106 1
1 747 . 7 1 1 A 71 71 THR CB C 71 68.949 68.766 0.183 1
1 749 . 7 1 1 A 71 71 THR N N 71 116.183 114.819 1.364 1
1 750 . 7 1 1 A 72 72 GLU H H 72 8.295 7.688 0.607 1
1 751 . 7 1 1 A 72 72 GLU HA H 72 4.143 4.064 0.079 1
1 756 . 7 1 1 A 72 72 GLU C C 72 179.498 178.966 0.532 1
1 757 . 7 1 1 A 72 72 GLU CA C 72 59.665 59.157 0.508 1
1 758 . 7 1 1 A 72 72 GLU CB C 72 29.400 29.557 -0.157 1
1 760 . 7 1 1 A 72 72 GLU N N 72 123.438 119.496 3.942 1
1 761 . 7 1 1 A 73 73 ALA H H 73 8.063 8.194 -0.131 1
1 762 . 7 1 1 A 73 73 ALA HA H 73 4.262 4.153 0.109 1
1 766 . 7 1 1 A 73 73 ALA C C 73 180.639 178.950 1.689 1
1 767 . 7 1 1 A 73 73 ALA CA C 73 55.268 54.592 0.676 1
1 768 . 7 1 1 A 73 73 ALA CB C 73 17.824 18.101 -0.277 1
1 769 . 7 1 1 A 73 73 ALA N N 73 122.231 123.061 -0.830 1
1 770 . 7 1 1 A 74 74 ALA H H 74 8.093 8.060 0.033 1
1 771 . 7 1 1 A 74 74 ALA HA H 74 4.320 4.282 0.038 1
1 775 . 7 1 1 A 74 74 ALA C C 74 181.394 179.632 1.762 1
1 776 . 7 1 1 A 74 74 ALA CA C 74 54.904 53.846 1.058 1
1 777 . 7 1 1 A 74 74 ALA CB C 74 18.313 19.183 -0.870 1
1 778 . 7 1 1 A 74 74 ALA N N 74 121.882 119.616 2.266 1
1 779 . 7 1 1 A 75 75 LYS H H 75 8.661 7.779 0.882 1
1 780 . 7 1 1 A 75 75 LYS HA H 75 4.053 4.159 -0.106 1
1 786 . 7 1 1 A 75 75 LYS C C 75 178.096 178.743 -0.647 1
1 787 . 7 1 1 A 75 75 LYS CA C 75 60.510 59.409 1.101 1
1 788 . 7 1 1 A 75 75 LYS CB C 75 32.236 32.413 -0.177 1
1 792 . 7 1 1 A 75 75 LYS N N 75 121.652 118.167 3.485 1
1 793 . 7 1 1 A 76 76 LYS H H 76 7.855 8.045 -0.190 1
1 794 . 7 1 1 A 76 76 LYS HA H 76 4.110 3.904 0.206 1
1 799 . 7 1 1 A 76 76 LYS C C 76 179.822 179.305 0.517 1
1 800 . 7 1 1 A 76 76 LYS CA C 76 59.993 60.345 -0.352 1
1 801 . 7 1 1 A 76 76 LYS CB C 76 32.401 32.175 0.226 1
1 805 . 7 1 1 A 76 76 LYS N N 76 119.219 118.365 0.854 1
1 806 . 7 1 1 A 77 77 GLU H H 77 7.880 8.249 -0.369 1
1 807 . 7 1 1 A 77 77 GLU HA H 77 4.233 4.089 0.144 1
1 812 . 7 1 1 A 77 77 GLU C C 77 178.358 178.190 0.168 1
1 813 . 7 1 1 A 77 77 GLU CA C 77 58.980 59.279 -0.299 1
1 814 . 7 1 1 A 77 77 GLU CB C 77 29.235 29.204 0.031 1
1 816 . 7 1 1 A 77 77 GLU N N 77 119.640 118.328 1.312 1
1 817 . 7 1 1 A 78 78 TYR H H 78 8.391 8.014 0.377 1
1 818 . 7 1 1 A 78 78 TYR HA H 78 4.413 4.105 0.308 1
1 825 . 7 1 1 A 78 78 TYR C C 78 176.737 177.199 -0.462 1
1 826 . 7 1 1 A 78 78 TYR CA C 78 60.809 61.364 -0.555 1
1 827 . 7 1 1 A 78 78 TYR CB C 78 38.239 38.608 -0.369 1
1 832 . 7 1 1 A 78 78 TYR N N 78 121.464 122.073 -0.609 1
1 833 . 7 1 1 A 79 79 LEU H H 79 8.203 8.250 -0.047 1
1 834 . 7 1 1 A 79 79 LEU HA H 79 3.764 3.634 0.130 1
1 844 . 7 1 1 A 79 79 LEU C C 79 180.728 178.962 1.766 1
1 845 . 7 1 1 A 79 79 LEU CA C 79 58.170 57.944 0.226 1
1 846 . 7 1 1 A 79 79 LEU CB C 79 41.445 41.483 -0.038 1
1 850 . 7 1 1 A 79 79 LEU N N 79 118.433 119.936 -1.503 1
1 851 . 7 1 1 A 80 80 LYS H H 80 7.523 7.736 -0.213 1
1 852 . 7 1 1 A 80 80 LYS HA H 80 4.134 3.813 0.321 1
1 861 . 7 1 1 A 80 80 LYS C C 80 179.804 179.343 0.461 1
1 862 . 7 1 1 A 80 80 LYS CA C 80 59.630 60.379 -0.749 1
1 863 . 7 1 1 A 80 80 LYS CB C 80 32.400 32.276 0.124 1
1 867 . 7 1 1 A 80 80 LYS N N 80 120.723 117.129 3.594 1
1 868 . 7 1 1 A 81 81 GLN H H 81 8.473 8.151 0.322 1
1 869 . 7 1 1 A 81 81 GLN HA H 81 4.144 3.968 0.176 1
1 876 . 7 1 1 A 81 81 GLN C C 81 179.906 178.079 1.827 1
1 877 . 7 1 1 A 81 81 GLN CA C 81 58.628 58.821 -0.193 1
1 878 . 7 1 1 A 81 81 GLN CB C 81 28.273 28.474 -0.201 1
1 880 . 7 1 1 A 81 81 GLN N N 81 120.899 118.988 1.911 1
1 882 . 7 1 1 A 82 82 LEU H H 82 9.233 8.137 1.096 1
1 883 . 7 1 1 A 82 82 LEU HA H 82 3.963 4.032 -0.069 1
1 893 . 7 1 1 A 82 82 LEU C C 82 178.293 178.177 0.116 1
1 894 . 7 1 1 A 82 82 LEU CA C 82 57.959 58.298 -0.339 1
1 895 . 7 1 1 A 82 82 LEU CB C 82 42.044 41.462 0.582 1
1 899 . 7 1 1 A 82 82 LEU N N 82 123.463 121.992 1.471 1
1 900 . 7 1 1 A 83 83 ALA H H 83 7.732 8.525 -0.793 1
1 901 . 7 1 1 A 83 83 ALA HA H 83 4.223 3.933 0.290 1
1 905 . 7 1 1 A 83 83 ALA C C 83 180.853 179.468 1.385 1
1 906 . 7 1 1 A 83 83 ALA CA C 83 54.944 55.329 -0.385 1
1 907 . 7 1 1 A 83 83 ALA CB C 83 17.765 18.235 -0.470 1
1 908 . 7 1 1 A 83 83 ALA N N 83 120.956 119.984 0.972 1
1 909 . 7 1 1 A 84 84 ALA H H 84 7.716 7.945 -0.229 1
1 910 . 7 1 1 A 84 84 ALA HA H 84 4.135 4.131 0.004 1
1 914 . 7 1 1 A 84 84 ALA C C 84 180.256 179.019 1.237 1
1 915 . 7 1 1 A 84 84 ALA CA C 84 55.234 54.903 0.331 1
1 916 . 7 1 1 A 84 84 ALA CB C 84 17.806 18.764 -0.958 1
1 917 . 7 1 1 A 84 84 ALA N N 84 121.082 119.817 1.265 1
1 918 . 7 1 1 A 85 85 TYR H H 85 8.453 8.228 0.225 1
1 919 . 7 1 1 A 85 85 TYR HA H 85 4.310 4.023 0.287 1
1 926 . 7 1 1 A 85 85 TYR C C 85 178.538 177.510 1.028 1
1 927 . 7 1 1 A 85 85 TYR CA C 85 60.862 61.948 -1.086 1
1 928 . 7 1 1 A 85 85 TYR CB C 85 38.444 38.843 -0.399 1
1 933 . 7 1 1 A 85 85 TYR N N 85 121.359 120.010 1.349 1
1 934 . 7 1 1 A 86 86 ARG H H 86 8.734 7.911 0.823 1
1 935 . 7 1 1 A 86 86 ARG HA H 86 3.713 3.565 0.148 1
1 942 . 7 1 1 A 86 86 ARG C C 86 178.962 178.798 0.164 1
1 943 . 7 1 1 A 86 86 ARG CA C 86 59.454 59.367 0.087 1
1 944 . 7 1 1 A 86 86 ARG CB C 86 29.605 29.872 -0.267 1
1 947 . 7 1 1 A 86 86 ARG N N 86 119.740 118.287 1.453 1
1 948 . 7 1 1 A 87 87 ALA H H 87 7.853 8.379 -0.526 1
1 949 . 7 1 1 A 87 87 ALA HA H 87 4.195 4.042 0.153 1
1 953 . 7 1 1 A 87 87 ALA C C 87 179.605 179.504 0.101 1
1 954 . 7 1 1 A 87 87 ALA CA C 87 54.353 54.938 -0.585 1
1 955 . 7 1 1 A 87 87 ALA CB C 87 17.971 18.468 -0.497 1
1 956 . 7 1 1 A 87 87 ALA N N 87 120.667 122.117 -1.450 1
1 957 . 7 1 1 A 88 88 SER H H 88 7.763 7.558 0.205 1
1 958 . 7 1 1 A 88 88 SER HA H 88 4.347 4.281 0.066 1
1 961 . 7 1 1 A 88 88 SER C C 88 175.219 176.750 -1.531 1
1 962 . 7 1 1 A 88 88 SER CA C 88 60.158 61.918 -1.760 1
1 963 . 7 1 1 A 88 88 SER CB C 88 63.440 63.284 0.156 1
1 964 . 7 1 1 A 88 88 SER N N 88 114.332 114.745 -0.413 1
1 965 . 7 1 1 A 89 89 LEU H H 89 7.344 7.758 -0.414 1
1 966 . 7 1 1 A 89 89 LEU HA H 89 4.163 3.957 0.206 1
1 976 . 7 1 1 A 89 89 LEU C C 89 178.335 177.086 1.249 1
1 977 . 7 1 1 A 89 89 LEU CA C 89 56.059 57.780 -1.721 1
1 978 . 7 1 1 A 89 89 LEU CB C 89 42.062 42.123 -0.061 1
1 982 . 7 1 1 A 89 89 LEU N N 89 121.862 119.612 2.250 1
1 983 . 7 1 1 A 90 90 VAL H H 90 7.533 7.669 -0.136 1
1 984 . 7 1 1 A 90 90 VAL HA H 90 4.063 3.936 0.127 1
1 992 . 7 1 1 A 90 90 VAL C C 90 176.743 176.189 0.554 1
1 993 . 7 1 1 A 90 90 VAL CA C 90 63.183 62.158 1.025 1
1 994 . 7 1 1 A 90 90 VAL CB C 90 32.318 32.255 0.063 1
1 997 . 7 1 1 A 90 90 VAL N N 90 117.748 118.308 -0.560 1
1 998 . 7 1 1 A 91 91 SER H H 91 8.059 8.739 -0.680 1
1 999 . 7 1 1 A 91 91 SER HA H 91 4.415 4.469 -0.054 1
1 1002 . 7 1 1 A 91 91 SER C C 91 174.854 174.851 0.003 1
1 1003 . 7 1 1 A 91 91 SER CA C 91 58.861 58.443 0.418 1
1 1004 . 7 1 1 A 91 91 SER CB C 91 63.810 64.133 -0.323 1
1 1005 . 7 1 1 A 91 91 SER N N 91 117.663 115.721 1.942 1
1 1006 . 7 1 1 A 92 92 LYS H H 92 8.158 7.807 0.351 1
1 1007 . 7 1 1 A 92 92 LYS HA H 92 4.329 4.228 0.101 1
1 1010 . 7 1 1 A 92 92 LYS C C 92 176.528 176.057 0.471 1
1 1011 . 7 1 1 A 92 92 LYS CA C 92 56.551 57.058 -0.507 1
1 1012 . 7 1 1 A 92 92 LYS CB C 92 32.771 33.100 -0.329 1
1 1016 . 7 1 1 A 92 92 LYS N N 92 122.827 123.191 -0.364 1
1 1017 . 7 1 1 A 93 93 SER H H 93 8.186 8.570 -0.384 1
1 1018 . 7 1 1 A 93 93 SER HA H 93 4.444 4.908 -0.464 1
1 1021 . 7 1 1 A 93 93 SER C C 93 174.271 172.942 1.329 1
1 1022 . 7 1 1 A 93 93 SER CA C 93 58.504 58.179 0.325 1
1 1023 . 7 1 1 A 93 93 SER CB C 93 63.933 63.188 0.745 1
1 1024 . 7 1 1 A 93 93 SER N N 93 116.068 119.896 -3.828 1
1 1025 . 7 1 1 A 94 94 TYR H H 94 8.146 9.197 -1.051 1
1 1026 . 7 1 1 A 94 94 TYR HA H 94 4.658 5.180 -0.522 1
1 1033 . 7 1 1 A 94 94 TYR C C 94 176.011 175.360 0.651 1
1 1034 . 7 1 1 A 94 94 TYR CA C 94 58.135 55.958 2.177 1
1 1035 . 7 1 1 A 94 94 TYR CB C 94 38.855 42.673 -3.818 1
1 1040 . 7 1 1 A 94 94 TYR N N 94 122.150 125.937 -3.787 1
1 1041 . 7 1 1 A 95 95 THR H H 95 8.024 8.976 -0.952 1
1 1042 . 7 1 1 A 95 95 THR HA H 95 4.333 4.557 -0.224 1
1 1047 . 7 1 1 A 95 95 THR C C 95 174.054 174.274 -0.220 1
1 1048 . 7 1 1 A 95 95 THR CA C 95 61.740 62.987 -1.247 1
1 1049 . 7 1 1 A 95 95 THR CB C 95 69.977 71.524 -1.547 1
1 1051 . 7 1 1 A 95 95 THR N N 95 115.298 115.624 -0.326 1
1 1052 . 7 1 1 A 96 96 ASP H H 96 8.288 8.310 -0.022 1
1 1053 . 7 1 1 A 96 96 ASP HA H 96 4.663 4.287 0.376 1
1 1056 . 7 1 1 A 96 96 ASP C C 96 176.252 175.449 0.803 1
1 1057 . 7 1 1 A 96 96 ASP CA C 96 54.494 54.772 -0.278 1
1 1058 . 7 1 1 A 96 96 ASP CB C 96 41.404 39.335 2.069 1
1 1059 . 7 1 1 A 96 96 ASP N N 96 122.969 121.677 1.292 1
1 1060 . 7 1 1 A 97 97 SER H H 97 8.272 7.942 0.330 1
1 1061 . 7 1 1 A 97 97 SER HA H 97 4.500 4.386 0.114 1
1 1063 . 7 1 1 A 97 97 SER C C 97 174.845 175.271 -0.426 1
1 1064 . 7 1 1 A 97 97 SER CA C 97 58.522 60.057 -1.535 1
1 1065 . 7 1 1 A 97 97 SER CB C 97 63.656 63.815 -0.159 1
1 1066 . 7 1 1 A 97 97 SER N N 97 116.137 116.357 -0.220 1
1 1067 . 7 1 1 A 98 98 GLY H H 98 8.289 8.600 -0.311 1
1 1068 . 7 1 1 A 98 98 GLY HA2 H 98 4.123 4.005 0.118 1
1 1069 . 7 1 1 A 98 98 GLY HA3 H 98 4.123 4.005 0.118 1
1 1070 . 7 1 1 A 98 98 GLY C C 98 171.920 173.176 -1.256 1
1 1071 . 7 1 1 A 98 98 GLY CA C 98 44.748 44.876 -0.128 1
1 1072 . 7 1 1 A 98 98 GLY N N 98 110.751 111.977 -1.226 1
1 1073 . 7 1 1 A 99 99 PRO HA H 99 4.490 4.606 -0.116 1
1 1080 . 7 1 1 A 99 99 PRO CA C 99 63.373 62.543 0.830 1
1 1081 . 7 1 1 A 99 99 PRO CB C 99 32.247 32.937 -0.690 1
1 1 . 8 1 1 A 12 12 LYS HA H 12 4.317 4.901 -0.584 1
1 6 . 8 1 1 A 12 12 LYS C C 12 176.329 174.300 2.029 1
1 7 . 8 1 1 A 12 12 LYS CA C 12 56.223 55.112 1.111 1
1 8 . 8 1 1 A 12 12 LYS CB C 12 33.117 33.436 -0.319 1
1 12 . 8 1 1 A 13 13 LYS H H 13 8.394 8.689 -0.295 1
1 13 . 8 1 1 A 13 13 LYS HA H 13 4.273 4.577 -0.304 1
1 18 . 8 1 1 A 13 13 LYS C C 13 175.990 175.190 0.800 1
1 19 . 8 1 1 A 13 13 LYS CA C 13 56.222 55.330 0.892 1
1 20 . 8 1 1 A 13 13 LYS CB C 13 33.223 36.050 -2.827 1
1 24 . 8 1 1 A 13 13 LYS N N 13 123.900 124.168 -0.268 1
1 25 . 8 1 1 A 14 14 ASP H H 14 8.625 8.802 -0.177 1
1 26 . 8 1 1 A 14 14 ASP HA H 14 4.902 4.630 0.272 1
1 29 . 8 1 1 A 14 14 ASP CA C 14 51.958 56.210 -4.252 1
1 30 . 8 1 1 A 14 14 ASP CB C 14 41.422 39.805 1.617 1
1 31 . 8 1 1 A 14 14 ASP N N 14 124.861 121.510 3.351 1
1 32 . 8 1 1 A 15 15 PRO HA H 15 4.442 4.568 -0.126 1
1 39 . 8 1 1 A 15 15 PRO C C 15 176.634 177.180 -0.546 1
1 40 . 8 1 1 A 15 15 PRO CA C 15 63.606 62.456 1.150 1
1 41 . 8 1 1 A 15 15 PRO CB C 15 32.323 29.744 2.579 1
1 44 . 8 1 1 A 16 16 ASN H H 16 8.414 8.706 -0.292 1
1 45 . 8 1 1 A 16 16 ASN HA H 16 4.683 4.400 0.283 1
1 50 . 8 1 1 A 16 16 ASN C C 16 174.365 174.039 0.326 1
1 51 . 8 1 1 A 16 16 ASN CA C 16 52.946 54.058 -1.112 1
1 52 . 8 1 1 A 16 16 ASN CB C 16 39.266 36.895 2.371 1
1 53 . 8 1 1 A 16 16 ASN N N 16 116.873 116.191 0.682 1
1 55 . 8 1 1 A 17 17 GLU H H 17 7.712 7.861 -0.149 1
1 56 . 8 1 1 A 17 17 GLU HA H 17 3.233 4.690 -1.457 1
1 61 . 8 1 1 A 17 17 GLU C C 17 174.415 173.465 0.950 1
1 62 . 8 1 1 A 17 17 GLU CA C 17 54.423 54.725 -0.302 1
1 63 . 8 1 1 A 17 17 GLU CB C 17 29.911 33.156 -3.245 1
1 65 . 8 1 1 A 17 17 GLU N N 17 122.673 120.845 1.828 1
1 66 . 8 1 1 A 18 18 PRO HA H 18 4.384 4.510 -0.126 1
1 73 . 8 1 1 A 18 18 PRO CA C 18 62.896 62.739 0.157 1
1 74 . 8 1 1 A 18 18 PRO CB C 18 31.963 32.085 -0.122 1
1 77 . 8 1 1 A 19 19 GLN H H 19 8.654 8.328 0.326 1
1 78 . 8 1 1 A 19 19 GLN HA H 19 4.293 4.471 -0.178 1
1 85 . 8 1 1 A 19 19 GLN C C 19 175.384 174.292 1.092 1
1 86 . 8 1 1 A 19 19 GLN CA C 19 55.057 55.044 0.013 1
1 87 . 8 1 1 A 19 19 GLN CB C 19 29.793 29.743 0.050 1
1 89 . 8 1 1 A 19 19 GLN N N 19 122.106 118.278 3.828 1
1 91 . 8 1 1 A 20 20 LYS H H 20 8.383 8.268 0.115 1
1 92 . 8 1 1 A 20 20 LYS HA H 20 3.393 3.037 0.356 1
1 101 . 8 1 1 A 20 20 LYS C C 20 174.706 175.280 -0.574 1
1 102 . 8 1 1 A 20 20 LYS CA C 20 54.951 53.584 1.367 1
1 103 . 8 1 1 A 20 20 LYS CB C 20 31.802 33.091 -1.289 1
1 107 . 8 1 1 A 20 20 LYS N N 20 124.861 124.428 0.433 1
1 108 . 8 1 1 A 21 21 PRO HA H 21 4.500 4.546 -0.046 1
1 115 . 8 1 1 A 21 21 PRO C C 21 176.741 176.243 0.498 1
1 116 . 8 1 1 A 21 21 PRO CA C 21 62.396 62.328 0.068 1
1 117 . 8 1 1 A 21 21 PRO CB C 21 32.392 32.333 0.059 1
1 120 . 8 1 1 A 22 22 VAL H H 22 7.850 8.211 -0.361 1
1 121 . 8 1 1 A 22 22 VAL HA H 22 4.303 4.614 -0.311 1
1 129 . 8 1 1 A 22 22 VAL C C 22 175.615 175.456 0.159 1
1 130 . 8 1 1 A 22 22 VAL CA C 22 60.967 59.192 1.775 1
1 131 . 8 1 1 A 22 22 VAL CB C 22 32.342 34.962 -2.620 1
1 134 . 8 1 1 A 22 22 VAL N N 22 115.924 115.683 0.241 1
1 135 . 8 1 1 A 23 23 SER H H 23 8.125 8.493 -0.368 1
1 136 . 8 1 1 A 23 23 SER HA H 23 4.433 4.449 -0.016 1
1 139 . 8 1 1 A 23 23 SER C C 23 173.516 175.578 -2.062 1
1 140 . 8 1 1 A 23 23 SER CA C 23 57.590 59.192 -1.602 1
1 141 . 8 1 1 A 23 23 SER CB C 23 65.578 64.102 1.476 1
1 142 . 8 1 1 A 23 23 SER N N 23 116.922 118.768 -1.846 1
1 143 . 8 1 1 A 24 24 ALA H H 24 8.707 9.026 -0.319 1
1 144 . 8 1 1 A 24 24 ALA HA H 24 4.046 4.387 -0.341 1
1 148 . 8 1 1 A 24 24 ALA C C 24 178.727 179.163 -0.436 1
1 149 . 8 1 1 A 24 24 ALA CA C 24 55.971 55.290 0.681 1
1 150 . 8 1 1 A 24 24 ALA CB C 24 18.505 18.626 -0.121 1
1 151 . 8 1 1 A 24 24 ALA N N 24 123.025 126.360 -3.335 1
1 152 . 8 1 1 A 25 25 TYR H H 25 8.119 8.103 0.016 1
1 153 . 8 1 1 A 25 25 TYR HA H 25 2.678 2.331 0.347 1
1 160 . 8 1 1 A 25 25 TYR C C 25 176.253 177.403 -1.150 1
1 161 . 8 1 1 A 25 25 TYR CA C 25 60.281 60.794 -0.513 1
1 162 . 8 1 1 A 25 25 TYR CB C 25 37.951 37.996 -0.045 1
1 167 . 8 1 1 A 25 25 TYR N N 25 115.954 119.243 -3.289 1
1 168 . 8 1 1 A 26 26 ALA H H 26 7.742 7.761 -0.019 1
1 169 . 8 1 1 A 26 26 ALA HA H 26 3.758 3.721 0.037 1
1 173 . 8 1 1 A 26 26 ALA C C 26 181.489 179.335 2.154 1
1 174 . 8 1 1 A 26 26 ALA CA C 26 54.859 54.568 0.291 1
1 175 . 8 1 1 A 26 26 ALA CB C 26 18.029 18.233 -0.204 1
1 176 . 8 1 1 A 26 26 ALA N N 26 121.384 121.230 0.154 1
1 177 . 8 1 1 A 27 27 LEU H H 27 7.991 8.277 -0.286 1
1 178 . 8 1 1 A 27 27 LEU HA H 27 4.023 4.033 -0.010 1
1 188 . 8 1 1 A 27 27 LEU C C 27 178.625 177.603 1.022 1
1 189 . 8 1 1 A 27 27 LEU CA C 27 57.876 57.556 0.320 1
1 190 . 8 1 1 A 27 27 LEU CB C 27 42.103 41.639 0.464 1
1 194 . 8 1 1 A 27 27 LEU N N 27 120.626 119.417 1.209 1
1 195 . 8 1 1 A 28 28 PHE H H 28 7.706 7.359 0.347 1
1 196 . 8 1 1 A 28 28 PHE HA H 28 3.653 4.099 -0.446 1
1 204 . 8 1 1 A 28 28 PHE C C 28 178.640 177.361 1.279 1
1 205 . 8 1 1 A 28 28 PHE CA C 28 61.653 59.537 2.116 1
1 206 . 8 1 1 A 28 28 PHE CB C 28 39.060 39.418 -0.358 1
1 212 . 8 1 1 A 28 28 PHE N N 28 122.656 119.941 2.715 1
1 213 . 8 1 1 A 29 29 PHE H H 29 9.246 8.135 1.111 1
1 214 . 8 1 1 A 29 29 PHE HA H 29 3.483 3.816 -0.333 1
1 222 . 8 1 1 A 29 29 PHE C C 29 177.478 177.599 -0.121 1
1 223 . 8 1 1 A 29 29 PHE CA C 29 61.126 60.556 0.570 1
1 224 . 8 1 1 A 29 29 PHE CB C 29 38.837 38.700 0.137 1
1 230 . 8 1 1 A 29 29 PHE N N 29 123.986 119.469 4.517 1
1 231 . 8 1 1 A 30 30 ARG H H 30 8.044 8.182 -0.138 1
1 232 . 8 1 1 A 30 30 ARG HA H 30 4.046 4.195 -0.149 1
1 239 . 8 1 1 A 30 30 ARG C C 30 179.156 177.449 1.707 1
1 240 . 8 1 1 A 30 30 ARG CA C 30 59.542 58.074 1.468 1
1 241 . 8 1 1 A 30 30 ARG CB C 30 30.053 29.229 0.824 1
1 244 . 8 1 1 A 30 30 ARG N N 30 119.141 118.062 1.079 1
1 245 . 8 1 1 A 31 31 ASP H H 31 7.712 7.918 -0.206 1
1 246 . 8 1 1 A 31 31 ASP HA H 31 4.523 4.534 -0.011 1
1 249 . 8 1 1 A 31 31 ASP C C 31 177.850 177.519 0.331 1
1 250 . 8 1 1 A 31 31 ASP CA C 31 56.516 56.111 0.405 1
1 251 . 8 1 1 A 31 31 ASP CB C 31 40.664 40.948 -0.284 1
1 252 . 8 1 1 A 31 31 ASP N N 31 118.527 120.105 -1.578 1
1 253 . 8 1 1 A 32 32 THR H H 32 7.704 6.961 0.743 1
1 254 . 8 1 1 A 32 32 THR HA H 32 3.953 3.940 0.013 1
1 259 . 8 1 1 A 32 32 THR C C 32 175.637 175.706 -0.069 1
1 260 . 8 1 1 A 32 32 THR CA C 32 65.030 65.120 -0.090 1
1 261 . 8 1 1 A 32 32 THR CB C 32 69.195 68.789 0.406 1
1 263 . 8 1 1 A 32 32 THR N N 32 115.935 114.525 1.410 1
1 264 . 8 1 1 A 33 33 GLN H H 33 8.361 8.140 0.221 1
1 265 . 8 1 1 A 33 33 GLN HA H 33 3.373 3.589 -0.216 1
1 272 . 8 1 1 A 33 33 GLN C C 33 176.526 177.958 -1.432 1
1 273 . 8 1 1 A 33 33 GLN CA C 33 60.000 58.879 1.121 1
1 274 . 8 1 1 A 33 33 GLN CB C 33 26.827 28.391 -1.564 1
1 276 . 8 1 1 A 33 33 GLN N N 33 120.539 119.607 0.932 1
1 278 . 8 1 1 A 34 34 ALA H H 34 8.053 8.022 0.031 1
1 279 . 8 1 1 A 34 34 ALA HA H 34 3.964 3.973 -0.009 1
1 283 . 8 1 1 A 34 34 ALA C C 34 180.762 179.725 1.037 1
1 284 . 8 1 1 A 34 34 ALA CA C 34 55.338 54.950 0.388 1
1 285 . 8 1 1 A 34 34 ALA CB C 34 17.724 18.367 -0.643 1
1 286 . 8 1 1 A 34 34 ALA N N 34 120.505 120.434 0.071 1
1 287 . 8 1 1 A 35 35 ALA H H 35 7.763 8.049 -0.286 1
1 288 . 8 1 1 A 35 35 ALA HA H 35 4.135 4.048 0.087 1
1 292 . 8 1 1 A 35 35 ALA C C 35 180.801 180.129 0.672 1
1 293 . 8 1 1 A 35 35 ALA CA C 35 54.635 54.973 -0.338 1
1 294 . 8 1 1 A 35 35 ALA CB C 35 17.888 18.367 -0.479 1
1 295 . 8 1 1 A 35 35 ALA N N 35 122.109 120.542 1.567 1
1 296 . 8 1 1 A 36 36 ILE H H 36 7.673 7.841 -0.168 1
1 297 . 8 1 1 A 36 36 ILE HA H 36 3.753 3.695 0.058 1
1 307 . 8 1 1 A 36 36 ILE C C 36 179.213 177.659 1.554 1
1 308 . 8 1 1 A 36 36 ILE CA C 36 62.955 64.733 -1.778 1
1 309 . 8 1 1 A 36 36 ILE CB C 36 36.388 37.577 -1.189 1
1 313 . 8 1 1 A 36 36 ILE N N 36 118.252 118.735 -0.483 1
1 314 . 8 1 1 A 37 37 LYS H H 37 8.444 8.428 0.016 1
1 315 . 8 1 1 A 37 37 LYS HA H 37 3.982 3.882 0.100 1
1 324 . 8 1 1 A 37 37 LYS C C 37 178.872 179.291 -0.419 1
1 325 . 8 1 1 A 37 37 LYS CA C 37 58.715 59.916 -1.201 1
1 326 . 8 1 1 A 37 37 LYS CB C 37 31.802 32.008 -0.206 1
1 330 . 8 1 1 A 37 37 LYS N N 37 121.415 119.362 2.053 1
1 331 . 8 1 1 A 38 38 GLY H H 38 7.873 8.317 -0.444 1
1 332 . 8 1 1 A 38 38 GLY HA2 H 38 3.849 3.773 0.076 1
1 333 . 8 1 1 A 38 38 GLY HA3 H 38 3.849 3.774 0.075 1
1 334 . 8 1 1 A 38 38 GLY C C 38 175.341 176.174 -0.833 1
1 335 . 8 1 1 A 38 38 GLY CA C 38 46.490 47.367 -0.877 1
1 336 . 8 1 1 A 38 38 GLY N N 38 104.723 107.259 -2.536 1
1 337 . 8 1 1 A 39 39 GLN H H 39 7.288 7.523 -0.235 1
1 338 . 8 1 1 A 39 39 GLN HA H 39 4.313 4.237 0.076 1
1 345 . 8 1 1 A 39 39 GLN C C 39 175.814 175.947 -0.133 1
1 346 . 8 1 1 A 39 39 GLN CA C 39 56.482 56.945 -0.463 1
1 347 . 8 1 1 A 39 39 GLN CB C 39 30.074 29.218 0.856 1
1 349 . 8 1 1 A 39 39 GLN N N 39 117.295 119.471 -2.176 1
1 351 . 8 1 1 A 40 40 ASN H H 40 7.780 7.768 0.012 1
1 352 . 8 1 1 A 40 40 ASN HA H 40 5.159 5.202 -0.043 1
1 357 . 8 1 1 A 40 40 ASN C C 40 172.428 173.479 -1.051 1
1 358 . 8 1 1 A 40 40 ASN CA C 40 50.877 50.175 0.702 1
1 359 . 8 1 1 A 40 40 ASN CB C 40 39.595 38.762 0.833 1
1 360 . 8 1 1 A 40 40 ASN N N 40 115.989 117.163 -1.174 1
1 362 . 8 1 1 A 41 41 PRO HA H 41 4.523 4.358 0.165 1
1 369 . 8 1 1 A 41 41 PRO C C 41 177.550 177.412 0.138 1
1 370 . 8 1 1 A 41 41 PRO CA C 41 64.837 64.196 0.641 1
1 371 . 8 1 1 A 41 41 PRO CB C 41 32.073 31.787 0.286 1
1 374 . 8 1 1 A 42 42 ASN H H 42 8.363 8.573 -0.210 1
1 375 . 8 1 1 A 42 42 ASN HA H 42 4.853 4.506 0.347 1
1 380 . 8 1 1 A 42 42 ASN C C 42 175.387 176.082 -0.695 1
1 381 . 8 1 1 A 42 42 ASN CA C 42 52.753 55.089 -2.336 1
1 382 . 8 1 1 A 42 42 ASN CB C 42 38.879 38.669 0.210 1
1 383 . 8 1 1 A 42 42 ASN N N 42 114.677 116.320 -1.643 1
1 385 . 8 1 1 A 43 43 ALA H H 43 7.533 7.235 0.298 1
1 386 . 8 1 1 A 43 43 ALA HA H 43 4.443 4.313 0.130 1
1 390 . 8 1 1 A 43 43 ALA C C 43 178.490 176.914 1.576 1
1 391 . 8 1 1 A 43 43 ALA CA C 43 52.647 52.900 -0.253 1
1 392 . 8 1 1 A 43 43 ALA CB C 43 19.314 19.187 0.127 1
1 393 . 8 1 1 A 43 43 ALA N N 43 124.307 122.328 1.979 1
1 394 . 8 1 1 A 44 44 THR H H 44 8.698 8.470 0.228 1
1 395 . 8 1 1 A 44 44 THR HA H 44 4.482 4.752 -0.270 1
1 400 . 8 1 1 A 44 44 THR C C 44 175.408 174.827 0.581 1
1 401 . 8 1 1 A 44 44 THR CA C 44 60.791 60.219 0.572 1
1 402 . 8 1 1 A 44 44 THR CB C 44 71.516 69.052 2.464 1
1 404 . 8 1 1 A 44 44 THR N N 44 114.309 109.028 5.281 1
1 405 . 8 1 1 A 45 45 PHE HA H 45 4.303 4.161 0.142 1
1 410 . 8 1 1 A 45 45 PHE CA C 45 61.982 61.424 0.558 1
1 411 . 8 1 1 A 45 45 PHE CB C 45 38.942 37.591 1.351 1
1 414 . 8 1 1 A 46 46 GLY HA2 H 46 3.962 3.862 0.100 1
1 415 . 8 1 1 A 46 46 GLY HA3 H 46 3.745 3.891 -0.146 1
1 416 . 8 1 1 A 46 46 GLY C C 46 176.621 176.428 0.193 1
1 417 . 8 1 1 A 46 46 GLY CA C 46 46.930 47.231 -0.301 1
1 418 . 8 1 1 A 47 47 GLU H H 47 7.692 8.090 -0.398 1
1 419 . 8 1 1 A 47 47 GLU HA H 47 4.053 4.136 -0.083 1
1 424 . 8 1 1 A 47 47 GLU C C 47 179.472 179.017 0.455 1
1 425 . 8 1 1 A 47 47 GLU CA C 47 59.296 59.359 -0.063 1
1 426 . 8 1 1 A 47 47 GLU CB C 47 29.769 30.011 -0.242 1
1 428 . 8 1 1 A 47 47 GLU N N 47 123.040 121.852 1.188 1
1 429 . 8 1 1 A 48 48 VAL H H 48 8.504 7.974 0.530 1
1 430 . 8 1 1 A 48 48 VAL HA H 48 3.413 3.622 -0.209 1
1 438 . 8 1 1 A 48 48 VAL C C 48 177.640 178.276 -0.636 1
1 439 . 8 1 1 A 48 48 VAL CA C 48 67.159 66.585 0.574 1
1 440 . 8 1 1 A 48 48 VAL CB C 48 31.820 31.544 0.276 1
1 443 . 8 1 1 A 48 48 VAL N N 48 120.194 120.769 -0.575 1
1 444 . 8 1 1 A 49 49 SER H H 49 8.442 8.706 -0.264 1
1 445 . 8 1 1 A 49 49 SER HA H 49 4.093 4.381 -0.288 1
1 448 . 8 1 1 A 49 49 SER C C 49 176.016 176.562 -0.546 1
1 449 . 8 1 1 A 49 49 SER CA C 49 62.500 61.737 0.763 1
1 450 . 8 1 1 A 49 49 SER CB C 49 62.653 63.262 -0.609 1
1 451 . 8 1 1 A 49 49 SER N N 49 113.484 114.314 -0.830 1
1 452 . 8 1 1 A 50 50 LYS H H 50 7.474 7.876 -0.402 1
1 453 . 8 1 1 A 50 50 LYS HA H 50 4.132 4.087 0.045 1
1 462 . 8 1 1 A 50 50 LYS C C 50 179.463 178.642 0.821 1
1 463 . 8 1 1 A 50 50 LYS CA C 50 59.525 59.085 0.440 1
1 464 . 8 1 1 A 50 50 LYS CB C 50 32.606 32.259 0.347 1
1 468 . 8 1 1 A 50 50 LYS N N 50 120.865 121.472 -0.607 1
1 469 . 8 1 1 A 51 51 ILE H H 51 7.853 7.384 0.469 1
1 470 . 8 1 1 A 51 51 ILE HA H 51 3.793 3.870 -0.077 1
1 480 . 8 1 1 A 51 51 ILE C C 51 179.105 178.119 0.986 1
1 481 . 8 1 1 A 51 51 ILE CA C 51 65.488 64.702 0.786 1
1 482 . 8 1 1 A 51 51 ILE CB C 51 38.603 38.147 0.456 1
1 486 . 8 1 1 A 51 51 ILE N N 51 121.720 120.019 1.701 1
1 487 . 8 1 1 A 52 52 VAL H H 52 8.703 7.735 0.968 1
1 488 . 8 1 1 A 52 52 VAL HA H 52 3.659 3.586 0.073 1
1 496 . 8 1 1 A 52 52 VAL C C 52 178.262 178.182 0.080 1
1 497 . 8 1 1 A 52 52 VAL CA C 52 67.388 66.646 0.742 1
1 498 . 8 1 1 A 52 52 VAL CB C 52 31.185 31.209 -0.024 1
1 501 . 8 1 1 A 52 52 VAL N N 52 121.006 119.644 1.362 1
1 502 . 8 1 1 A 53 53 ALA H H 53 8.343 8.769 -0.426 1
1 503 . 8 1 1 A 53 53 ALA HA H 53 4.412 4.274 0.138 1
1 507 . 8 1 1 A 53 53 ALA C C 53 180.884 180.516 0.368 1
1 508 . 8 1 1 A 53 53 ALA CA C 53 56.271 55.826 0.445 1
1 509 . 8 1 1 A 53 53 ALA CB C 53 17.888 18.709 -0.821 1
1 510 . 8 1 1 A 53 53 ALA N N 53 122.645 122.719 -0.074 1
1 511 . 8 1 1 A 54 54 SER H H 54 7.905 8.132 -0.227 1
1 512 . 8 1 1 A 54 54 SER HA H 54 4.415 4.228 0.187 1
1 515 . 8 1 1 A 54 54 SER C C 54 177.818 176.339 1.479 1
1 516 . 8 1 1 A 54 54 SER CA C 54 61.635 61.371 0.264 1
1 517 . 8 1 1 A 54 54 SER CB C 54 62.947 63.306 -0.359 1
1 518 . 8 1 1 A 54 54 SER N N 54 114.062 114.407 -0.345 1
1 519 . 8 1 1 A 55 55 MET H H 55 8.553 8.429 0.124 1
1 520 . 8 1 1 A 55 55 MET HA H 55 4.194 4.283 -0.089 1
1 528 . 8 1 1 A 55 55 MET C C 55 179.156 178.462 0.694 1
1 529 . 8 1 1 A 55 55 MET CA C 55 59.190 58.833 0.357 1
1 530 . 8 1 1 A 55 55 MET CB C 55 33.551 34.185 -0.634 1
1 533 . 8 1 1 A 55 55 MET N N 55 123.394 119.716 3.678 1
1 534 . 8 1 1 A 56 56 TRP H H 56 8.864 8.857 0.007 1
1 535 . 8 1 1 A 56 56 TRP HA H 56 3.899 3.956 -0.057 1
1 544 . 8 1 1 A 56 56 TRP C C 56 178.213 178.662 -0.449 1
1 545 . 8 1 1 A 56 56 TRP CA C 56 59.806 61.099 -1.293 1
1 546 . 8 1 1 A 56 56 TRP CB C 56 30.281 29.654 0.627 1
1 552 . 8 1 1 A 56 56 TRP N N 56 121.428 122.812 -1.384 1
1 554 . 8 1 1 A 57 57 ASP H H 57 8.061 8.138 -0.077 1
1 555 . 8 1 1 A 57 57 ASP HA H 57 4.253 4.464 -0.211 1
1 558 . 8 1 1 A 57 57 ASP C C 57 178.103 177.655 0.448 1
1 559 . 8 1 1 A 57 57 ASP CA C 57 57.186 57.502 -0.316 1
1 560 . 8 1 1 A 57 57 ASP CB C 57 40.705 40.676 0.029 1
1 561 . 8 1 1 A 57 57 ASP N N 57 117.661 118.863 -1.202 1
1 562 . 8 1 1 A 58 58 GLY H H 58 7.481 7.932 -0.451 1
1 563 . 8 1 1 A 58 58 GLY HA2 H 58 4.202 3.961 0.241 1
1 564 . 8 1 1 A 58 58 GLY HA3 H 58 3.672 3.998 -0.326 1
1 565 . 8 1 1 A 58 58 GLY C C 58 174.062 172.968 1.094 1
1 566 . 8 1 1 A 58 58 GLY CA C 58 44.872 45.493 -0.621 1
1 567 . 8 1 1 A 58 58 GLY N N 58 103.794 106.306 -2.512 1
1 568 . 8 1 1 A 59 59 LEU H H 59 7.153 7.445 -0.292 1
1 569 . 8 1 1 A 59 59 LEU HA H 59 4.123 4.321 -0.198 1
1 579 . 8 1 1 A 59 59 LEU C C 59 177.880 177.455 0.425 1
1 580 . 8 1 1 A 59 59 LEU CA C 59 55.114 53.805 1.309 1
1 581 . 8 1 1 A 59 59 LEU CB C 59 43.149 42.893 0.256 1
1 585 . 8 1 1 A 59 59 LEU N N 59 123.874 121.734 2.140 1
1 586 . 8 1 1 A 60 60 GLY H H 60 8.523 8.062 0.461 1
1 587 . 8 1 1 A 60 60 GLY HA2 H 60 4.091 4.018 0.073 1
1 588 . 8 1 1 A 60 60 GLY HA3 H 60 3.993 4.026 -0.033 1
1 589 . 8 1 1 A 60 60 GLY C C 60 174.634 174.655 -0.021 1
1 590 . 8 1 1 A 60 60 GLY CA C 60 44.995 45.098 -0.103 1
1 591 . 8 1 1 A 60 60 GLY N N 60 110.475 108.320 2.155 1
1 592 . 8 1 1 A 61 61 GLU H H 61 8.743 8.638 0.105 1
1 593 . 8 1 1 A 61 61 GLU HA H 61 3.873 3.818 0.055 1
1 598 . 8 1 1 A 61 61 GLU C C 61 178.841 178.403 0.438 1
1 599 . 8 1 1 A 61 61 GLU CA C 61 59.577 59.412 0.165 1
1 600 . 8 1 1 A 61 61 GLU CB C 61 29.299 29.303 -0.004 1
1 602 . 8 1 1 A 61 61 GLU N N 61 122.609 121.836 0.773 1
1 603 . 8 1 1 A 62 62 GLU H H 62 9.063 7.743 1.320 1
1 604 . 8 1 1 A 62 62 GLU HA H 62 4.033 4.063 -0.030 1
1 609 . 8 1 1 A 62 62 GLU C C 62 179.086 178.290 0.796 1
1 610 . 8 1 1 A 62 62 GLU CA C 62 59.841 58.776 1.065 1
1 611 . 8 1 1 A 62 62 GLU CB C 62 28.660 29.110 -0.450 1
1 613 . 8 1 1 A 62 62 GLU N N 62 118.089 119.321 -1.232 1
1 614 . 8 1 1 A 63 63 GLN H H 63 7.563 8.120 -0.557 1
1 615 . 8 1 1 A 63 63 GLN HA H 63 4.282 4.130 0.152 1
1 622 . 8 1 1 A 63 63 GLN C C 63 179.406 178.295 1.111 1
1 623 . 8 1 1 A 63 63 GLN CA C 63 59.050 57.393 1.657 1
1 624 . 8 1 1 A 63 63 GLN CB C 63 29.089 29.184 -0.095 1
1 626 . 8 1 1 A 63 63 GLN N N 63 118.216 118.308 -0.092 1
1 628 . 8 1 1 A 64 64 LYS H H 64 8.193 7.882 0.311 1
1 629 . 8 1 1 A 64 64 LYS HA H 64 3.933 4.002 -0.069 1
1 638 . 8 1 1 A 64 64 LYS C C 64 179.858 179.117 0.741 1
1 639 . 8 1 1 A 64 64 LYS CA C 64 60.774 59.465 1.309 1
1 640 . 8 1 1 A 64 64 LYS CB C 64 33.100 32.181 0.919 1
1 644 . 8 1 1 A 64 64 LYS N N 64 119.928 120.704 -0.776 1
1 645 . 8 1 1 A 65 65 GLN H H 65 8.459 7.977 0.482 1
1 646 . 8 1 1 A 65 65 GLN HA H 65 4.056 4.145 -0.089 1
1 653 . 8 1 1 A 65 65 GLN C C 65 177.751 178.257 -0.506 1
1 654 . 8 1 1 A 65 65 GLN CA C 65 58.891 58.578 0.313 1
1 655 . 8 1 1 A 65 65 GLN CB C 65 28.167 28.530 -0.363 1
1 657 . 8 1 1 A 65 65 GLN N N 65 117.874 117.874 0.000 1
1 659 . 8 1 1 A 66 66 VAL H H 66 7.408 8.121 -0.713 1
1 660 . 8 1 1 A 66 66 VAL HA H 66 3.653 3.669 -0.016 1
1 668 . 8 1 1 A 66 66 VAL C C 66 178.900 177.314 1.586 1
1 669 . 8 1 1 A 66 66 VAL CA C 66 66.860 65.247 1.613 1
1 670 . 8 1 1 A 66 66 VAL CB C 66 31.784 30.966 0.818 1
1 673 . 8 1 1 A 66 66 VAL N N 66 119.348 120.055 -0.707 1
1 674 . 8 1 1 A 67 67 TYR H H 67 7.229 7.688 -0.459 1
1 675 . 8 1 1 A 67 67 TYR HA H 67 4.151 4.425 -0.274 1
1 682 . 8 1 1 A 67 67 TYR C C 67 178.776 178.591 0.185 1
1 683 . 8 1 1 A 67 67 TYR CA C 67 63.307 61.685 1.622 1
1 684 . 8 1 1 A 67 67 TYR CB C 67 39.308 37.950 1.358 1
1 689 . 8 1 1 A 67 67 TYR N N 67 117.638 120.792 -3.154 1
1 690 . 8 1 1 A 68 68 LYS H H 68 8.554 7.841 0.713 1
1 691 . 8 1 1 A 68 68 LYS HA H 68 4.195 4.331 -0.136 1
1 698 . 8 1 1 A 68 68 LYS C C 68 179.468 179.047 0.421 1
1 699 . 8 1 1 A 68 68 LYS CA C 68 60.703 58.691 2.012 1
1 700 . 8 1 1 A 68 68 LYS CB C 68 32.154 32.928 -0.774 1
1 704 . 8 1 1 A 68 68 LYS N N 68 121.795 121.286 0.509 1
1 705 . 8 1 1 A 69 69 LYS H H 69 8.883 8.105 0.778 1
1 706 . 8 1 1 A 69 69 LYS HA H 69 4.171 4.209 -0.038 1
1 715 . 8 1 1 A 69 69 LYS C C 69 180.214 177.919 2.295 1
1 716 . 8 1 1 A 69 69 LYS CA C 69 59.824 58.656 1.168 1
1 717 . 8 1 1 A 69 69 LYS CB C 69 32.072 32.387 -0.315 1
1 721 . 8 1 1 A 69 69 LYS N N 69 120.539 120.126 0.413 1
1 722 . 8 1 1 A 70 70 LYS H H 70 7.791 7.558 0.233 1
1 723 . 8 1 1 A 70 70 LYS HA H 70 4.211 4.258 -0.047 1
1 732 . 8 1 1 A 70 70 LYS C C 70 179.985 179.168 0.817 1
1 733 . 8 1 1 A 70 70 LYS CA C 70 60.017 58.432 1.585 1
1 734 . 8 1 1 A 70 70 LYS CB C 70 33.200 32.661 0.539 1
1 738 . 8 1 1 A 70 70 LYS N N 70 119.946 118.298 1.648 1
1 739 . 8 1 1 A 71 71 THR H H 71 8.002 8.158 -0.156 1
1 740 . 8 1 1 A 71 71 THR HA H 71 4.301 3.909 0.392 1
1 745 . 8 1 1 A 71 71 THR C C 71 176.462 176.455 0.007 1
1 746 . 8 1 1 A 71 71 THR CA C 71 66.402 67.157 -0.755 1
1 747 . 8 1 1 A 71 71 THR CB C 71 68.949 68.663 0.286 1
1 749 . 8 1 1 A 71 71 THR N N 71 116.183 116.692 -0.509 1
1 750 . 8 1 1 A 72 72 GLU H H 72 8.295 8.206 0.089 1
1 751 . 8 1 1 A 72 72 GLU HA H 72 4.143 4.077 0.066 1
1 756 . 8 1 1 A 72 72 GLU C C 72 179.498 178.342 1.156 1
1 757 . 8 1 1 A 72 72 GLU CA C 72 59.665 59.334 0.331 1
1 758 . 8 1 1 A 72 72 GLU CB C 72 29.400 28.954 0.446 1
1 760 . 8 1 1 A 72 72 GLU N N 72 123.438 119.404 4.034 1
1 761 . 8 1 1 A 73 73 ALA H H 73 8.063 7.870 0.193 1
1 762 . 8 1 1 A 73 73 ALA HA H 73 4.262 4.220 0.042 1
1 766 . 8 1 1 A 73 73 ALA C C 73 180.639 178.731 1.908 1
1 767 . 8 1 1 A 73 73 ALA CA C 73 55.268 54.309 0.959 1
1 768 . 8 1 1 A 73 73 ALA CB C 73 17.824 18.181 -0.357 1
1 769 . 8 1 1 A 73 73 ALA N N 73 122.231 122.092 0.139 1
1 770 . 8 1 1 A 74 74 ALA H H 74 8.093 7.588 0.505 1
1 771 . 8 1 1 A 74 74 ALA HA H 74 4.320 4.449 -0.129 1
1 775 . 8 1 1 A 74 74 ALA C C 74 181.394 179.597 1.797 1
1 776 . 8 1 1 A 74 74 ALA CA C 74 54.904 54.013 0.891 1
1 777 . 8 1 1 A 74 74 ALA CB C 74 18.313 19.168 -0.855 1
1 778 . 8 1 1 A 74 74 ALA N N 74 121.882 119.345 2.537 1
1 779 . 8 1 1 A 75 75 LYS H H 75 8.661 8.179 0.482 1
1 780 . 8 1 1 A 75 75 LYS HA H 75 4.053 4.164 -0.111 1
1 786 . 8 1 1 A 75 75 LYS C C 75 178.096 178.843 -0.747 1
1 787 . 8 1 1 A 75 75 LYS CA C 75 60.510 59.435 1.075 1
1 788 . 8 1 1 A 75 75 LYS CB C 75 32.236 32.308 -0.072 1
1 792 . 8 1 1 A 75 75 LYS N N 75 121.652 118.166 3.486 1
1 793 . 8 1 1 A 76 76 LYS H H 76 7.855 7.800 0.055 1
1 794 . 8 1 1 A 76 76 LYS HA H 76 4.110 3.956 0.154 1
1 799 . 8 1 1 A 76 76 LYS C C 76 179.822 179.153 0.669 1
1 800 . 8 1 1 A 76 76 LYS CA C 76 59.993 60.308 -0.315 1
1 801 . 8 1 1 A 76 76 LYS CB C 76 32.401 32.334 0.067 1
1 805 . 8 1 1 A 76 76 LYS N N 76 119.219 118.094 1.125 1
1 806 . 8 1 1 A 77 77 GLU H H 77 7.880 8.267 -0.387 1
1 807 . 8 1 1 A 77 77 GLU HA H 77 4.233 4.086 0.147 1
1 812 . 8 1 1 A 77 77 GLU C C 77 178.358 178.286 0.072 1
1 813 . 8 1 1 A 77 77 GLU CA C 77 58.980 59.267 -0.287 1
1 814 . 8 1 1 A 77 77 GLU CB C 77 29.235 29.216 0.019 1
1 816 . 8 1 1 A 77 77 GLU N N 77 119.640 118.624 1.016 1
1 817 . 8 1 1 A 78 78 TYR H H 78 8.391 8.136 0.255 1
1 818 . 8 1 1 A 78 78 TYR HA H 78 4.413 4.086 0.327 1
1 825 . 8 1 1 A 78 78 TYR C C 78 176.737 177.298 -0.561 1
1 826 . 8 1 1 A 78 78 TYR CA C 78 60.809 61.316 -0.507 1
1 827 . 8 1 1 A 78 78 TYR CB C 78 38.239 38.959 -0.720 1
1 832 . 8 1 1 A 78 78 TYR N N 78 121.464 122.028 -0.564 1
1 833 . 8 1 1 A 79 79 LEU H H 79 8.203 8.048 0.155 1
1 834 . 8 1 1 A 79 79 LEU HA H 79 3.764 3.594 0.170 1
1 844 . 8 1 1 A 79 79 LEU C C 79 180.728 178.913 1.815 1
1 845 . 8 1 1 A 79 79 LEU CA C 79 58.170 57.845 0.325 1
1 846 . 8 1 1 A 79 79 LEU CB C 79 41.445 41.629 -0.184 1
1 850 . 8 1 1 A 79 79 LEU N N 79 118.433 119.692 -1.259 1
1 851 . 8 1 1 A 80 80 LYS H H 80 7.523 8.039 -0.516 1
1 852 . 8 1 1 A 80 80 LYS HA H 80 4.134 3.815 0.319 1
1 861 . 8 1 1 A 80 80 LYS C C 80 179.804 179.914 -0.110 1
1 862 . 8 1 1 A 80 80 LYS CA C 80 59.630 60.405 -0.775 1
1 863 . 8 1 1 A 80 80 LYS CB C 80 32.400 32.359 0.041 1
1 867 . 8 1 1 A 80 80 LYS N N 80 120.723 117.217 3.506 1
1 868 . 8 1 1 A 81 81 GLN H H 81 8.473 8.281 0.192 1
1 869 . 8 1 1 A 81 81 GLN HA H 81 4.144 3.987 0.157 1
1 876 . 8 1 1 A 81 81 GLN C C 81 179.906 178.281 1.625 1
1 877 . 8 1 1 A 81 81 GLN CA C 81 58.628 58.892 -0.264 1
1 878 . 8 1 1 A 81 81 GLN CB C 81 28.273 28.333 -0.060 1
1 880 . 8 1 1 A 81 81 GLN N N 81 120.899 119.028 1.871 1
1 882 . 8 1 1 A 82 82 LEU H H 82 9.233 8.011 1.222 1
1 883 . 8 1 1 A 82 82 LEU HA H 82 3.963 4.029 -0.066 1
1 893 . 8 1 1 A 82 82 LEU C C 82 178.293 178.347 -0.054 1
1 894 . 8 1 1 A 82 82 LEU CA C 82 57.959 58.388 -0.429 1
1 895 . 8 1 1 A 82 82 LEU CB C 82 42.044 41.768 0.276 1
1 899 . 8 1 1 A 82 82 LEU N N 82 123.463 122.161 1.302 1
1 900 . 8 1 1 A 83 83 ALA H H 83 7.732 8.588 -0.856 1
1 901 . 8 1 1 A 83 83 ALA HA H 83 4.223 3.959 0.264 1
1 905 . 8 1 1 A 83 83 ALA C C 83 180.853 179.247 1.606 1
1 906 . 8 1 1 A 83 83 ALA CA C 83 54.944 55.354 -0.410 1
1 907 . 8 1 1 A 83 83 ALA CB C 83 17.765 18.402 -0.637 1
1 908 . 8 1 1 A 83 83 ALA N N 83 120.956 119.848 1.108 1
1 909 . 8 1 1 A 84 84 ALA H H 84 7.716 7.353 0.363 1
1 910 . 8 1 1 A 84 84 ALA HA H 84 4.135 4.233 -0.098 1
1 914 . 8 1 1 A 84 84 ALA C C 84 180.256 179.537 0.719 1
1 915 . 8 1 1 A 84 84 ALA CA C 84 55.234 53.823 1.411 1
1 916 . 8 1 1 A 84 84 ALA CB C 84 17.806 19.257 -1.451 1
1 917 . 8 1 1 A 84 84 ALA N N 84 121.082 119.583 1.499 1
1 918 . 8 1 1 A 85 85 TYR H H 85 8.453 8.538 -0.085 1
1 919 . 8 1 1 A 85 85 TYR HA H 85 4.310 4.097 0.213 1
1 926 . 8 1 1 A 85 85 TYR C C 85 178.538 177.674 0.864 1
1 927 . 8 1 1 A 85 85 TYR CA C 85 60.862 61.953 -1.091 1
1 928 . 8 1 1 A 85 85 TYR CB C 85 38.444 38.792 -0.348 1
1 933 . 8 1 1 A 85 85 TYR N N 85 121.359 120.630 0.729 1
1 934 . 8 1 1 A 86 86 ARG H H 86 8.734 8.112 0.622 1
1 935 . 8 1 1 A 86 86 ARG HA H 86 3.713 3.804 -0.091 1
1 942 . 8 1 1 A 86 86 ARG C C 86 178.962 178.968 -0.006 1
1 943 . 8 1 1 A 86 86 ARG CA C 86 59.454 59.506 -0.052 1
1 944 . 8 1 1 A 86 86 ARG CB C 86 29.605 30.072 -0.467 1
1 947 . 8 1 1 A 86 86 ARG N N 86 119.740 118.320 1.420 1
1 948 . 8 1 1 A 87 87 ALA H H 87 7.853 7.840 0.013 1
1 949 . 8 1 1 A 87 87 ALA HA H 87 4.195 4.025 0.170 1
1 953 . 8 1 1 A 87 87 ALA C C 87 179.605 179.775 -0.170 1
1 954 . 8 1 1 A 87 87 ALA CA C 87 54.353 54.983 -0.630 1
1 955 . 8 1 1 A 87 87 ALA CB C 87 17.971 18.489 -0.518 1
1 956 . 8 1 1 A 87 87 ALA N N 87 120.667 121.405 -0.738 1
1 957 . 8 1 1 A 88 88 SER H H 88 7.763 7.680 0.083 1
1 958 . 8 1 1 A 88 88 SER HA H 88 4.347 4.192 0.155 1
1 961 . 8 1 1 A 88 88 SER C C 88 175.219 176.833 -1.614 1
1 962 . 8 1 1 A 88 88 SER CA C 88 60.158 61.130 -0.972 1
1 963 . 8 1 1 A 88 88 SER CB C 88 63.440 62.917 0.523 1
1 964 . 8 1 1 A 88 88 SER N N 88 114.332 113.067 1.265 1
1 965 . 8 1 1 A 89 89 LEU H H 89 7.344 7.819 -0.475 1
1 966 . 8 1 1 A 89 89 LEU HA H 89 4.163 4.025 0.138 1
1 976 . 8 1 1 A 89 89 LEU C C 89 178.335 177.976 0.359 1
1 977 . 8 1 1 A 89 89 LEU CA C 89 56.059 57.671 -1.612 1
1 978 . 8 1 1 A 89 89 LEU CB C 89 42.062 41.847 0.215 1
1 982 . 8 1 1 A 89 89 LEU N N 89 121.862 120.673 1.189 1
1 983 . 8 1 1 A 90 90 VAL H H 90 7.533 7.585 -0.052 1
1 984 . 8 1 1 A 90 90 VAL HA H 90 4.063 4.111 -0.048 1
1 992 . 8 1 1 A 90 90 VAL C C 90 176.743 175.657 1.086 1
1 993 . 8 1 1 A 90 90 VAL CA C 90 63.183 61.365 1.818 1
1 994 . 8 1 1 A 90 90 VAL CB C 90 32.318 31.151 1.167 1
1 997 . 8 1 1 A 90 90 VAL N N 90 117.748 113.843 3.905 1
1 998 . 8 1 1 A 91 91 SER H H 91 8.059 8.369 -0.310 1
1 999 . 8 1 1 A 91 91 SER HA H 91 4.415 4.700 -0.285 1
1 1002 . 8 1 1 A 91 91 SER C C 91 174.854 174.513 0.341 1
1 1003 . 8 1 1 A 91 91 SER CA C 91 58.861 57.810 1.051 1
1 1004 . 8 1 1 A 91 91 SER CB C 91 63.810 63.152 0.658 1
1 1005 . 8 1 1 A 91 91 SER N N 91 117.663 118.916 -1.253 1
1 1006 . 8 1 1 A 92 92 LYS H H 92 8.158 7.938 0.220 1
1 1007 . 8 1 1 A 92 92 LYS HA H 92 4.329 4.559 -0.230 1
1 1010 . 8 1 1 A 92 92 LYS C C 92 176.528 176.129 0.399 1
1 1011 . 8 1 1 A 92 92 LYS CA C 92 56.551 57.812 -1.261 1
1 1012 . 8 1 1 A 92 92 LYS CB C 92 32.771 34.859 -2.088 1
1 1016 . 8 1 1 A 92 92 LYS N N 92 122.827 123.174 -0.347 1
1 1017 . 8 1 1 A 93 93 SER H H 93 8.186 8.194 -0.008 1
1 1018 . 8 1 1 A 93 93 SER HA H 93 4.444 4.518 -0.074 1
1 1021 . 8 1 1 A 93 93 SER C C 93 174.271 173.632 0.639 1
1 1022 . 8 1 1 A 93 93 SER CA C 93 58.504 58.846 -0.342 1
1 1023 . 8 1 1 A 93 93 SER CB C 93 63.933 62.246 1.687 1
1 1024 . 8 1 1 A 93 93 SER N N 93 116.068 114.152 1.916 1
1 1025 . 8 1 1 A 94 94 TYR H H 94 8.146 8.826 -0.680 1
1 1026 . 8 1 1 A 94 94 TYR HA H 94 4.658 4.740 -0.082 1
1 1033 . 8 1 1 A 94 94 TYR C C 94 176.011 175.033 0.978 1
1 1034 . 8 1 1 A 94 94 TYR CA C 94 58.135 59.452 -1.317 1
1 1035 . 8 1 1 A 94 94 TYR CB C 94 38.855 40.954 -2.099 1
1 1040 . 8 1 1 A 94 94 TYR N N 94 122.150 126.163 -4.013 1
1 1041 . 8 1 1 A 95 95 THR H H 95 8.024 8.101 -0.077 1
1 1042 . 8 1 1 A 95 95 THR HA H 95 4.333 4.849 -0.516 1
1 1047 . 8 1 1 A 95 95 THR C C 95 174.054 173.298 0.756 1
1 1048 . 8 1 1 A 95 95 THR CA C 95 61.740 61.707 0.033 1
1 1049 . 8 1 1 A 95 95 THR CB C 95 69.977 70.858 -0.881 1
1 1051 . 8 1 1 A 95 95 THR N N 95 115.298 113.266 2.032 1
1 1052 . 8 1 1 A 96 96 ASP H H 96 8.288 9.293 -1.005 1
1 1053 . 8 1 1 A 96 96 ASP HA H 96 4.663 5.488 -0.825 1
1 1056 . 8 1 1 A 96 96 ASP C C 96 176.252 174.380 1.872 1
1 1057 . 8 1 1 A 96 96 ASP CA C 96 54.494 52.087 2.407 1
1 1058 . 8 1 1 A 96 96 ASP CB C 96 41.404 43.269 -1.865 1
1 1059 . 8 1 1 A 96 96 ASP N N 96 122.969 125.567 -2.598 1
1 1060 . 8 1 1 A 97 97 SER H H 97 8.272 8.791 -0.519 1
1 1061 . 8 1 1 A 97 97 SER HA H 97 4.500 4.843 -0.343 1
1 1063 . 8 1 1 A 97 97 SER C C 97 174.845 174.310 0.535 1
1 1064 . 8 1 1 A 97 97 SER CA C 97 58.522 58.051 0.471 1
1 1065 . 8 1 1 A 97 97 SER CB C 97 63.656 64.221 -0.565 1
1 1066 . 8 1 1 A 97 97 SER N N 97 116.137 121.096 -4.959 1
1 1067 . 8 1 1 A 98 98 GLY H H 98 8.289 8.949 -0.660 1
1 1068 . 8 1 1 A 98 98 GLY HA2 H 98 4.123 4.116 0.007 1
1 1069 . 8 1 1 A 98 98 GLY HA3 H 98 4.123 4.117 0.006 1
1 1070 . 8 1 1 A 98 98 GLY C C 98 171.920 173.266 -1.346 1
1 1071 . 8 1 1 A 98 98 GLY CA C 98 44.748 45.391 -0.643 1
1 1072 . 8 1 1 A 98 98 GLY N N 98 110.751 112.509 -1.758 1
1 1073 . 8 1 1 A 99 99 PRO HA H 99 4.490 4.651 -0.161 1
1 1080 . 8 1 1 A 99 99 PRO CA C 99 63.373 62.475 0.898 1
1 1081 . 8 1 1 A 99 99 PRO CB C 99 32.247 33.267 -1.020 1
1 1 . 9 1 1 A 12 12 LYS HA H 12 4.317 4.472 -0.155 1
1 6 . 9 1 1 A 12 12 LYS C C 12 176.329 175.999 0.330 1
1 7 . 9 1 1 A 12 12 LYS CA C 12 56.223 55.354 0.869 1
1 8 . 9 1 1 A 12 12 LYS CB C 12 33.117 30.913 2.204 1
1 12 . 9 1 1 A 13 13 LYS H H 13 8.394 7.845 0.549 1
1 13 . 9 1 1 A 13 13 LYS HA H 13 4.273 4.614 -0.341 1
1 18 . 9 1 1 A 13 13 LYS C C 13 175.990 175.539 0.451 1
1 19 . 9 1 1 A 13 13 LYS CA C 13 56.222 55.260 0.962 1
1 20 . 9 1 1 A 13 13 LYS CB C 13 33.223 32.815 0.408 1
1 24 . 9 1 1 A 13 13 LYS N N 13 123.900 122.740 1.160 1
1 25 . 9 1 1 A 14 14 ASP H H 14 8.625 7.937 0.688 1
1 26 . 9 1 1 A 14 14 ASP HA H 14 4.902 5.150 -0.248 1
1 29 . 9 1 1 A 14 14 ASP CA C 14 51.958 51.619 0.339 1
1 30 . 9 1 1 A 14 14 ASP CB C 14 41.422 40.928 0.494 1
1 31 . 9 1 1 A 14 14 ASP N N 14 124.861 118.052 6.809 1
1 32 . 9 1 1 A 15 15 PRO HA H 15 4.442 4.665 -0.223 1
1 39 . 9 1 1 A 15 15 PRO C C 15 176.634 175.835 0.799 1
1 40 . 9 1 1 A 15 15 PRO CA C 15 63.606 62.407 1.199 1
1 41 . 9 1 1 A 15 15 PRO CB C 15 32.323 33.164 -0.841 1
1 44 . 9 1 1 A 16 16 ASN H H 16 8.414 8.660 -0.246 1
1 45 . 9 1 1 A 16 16 ASN HA H 16 4.683 5.103 -0.420 1
1 50 . 9 1 1 A 16 16 ASN C C 16 174.365 174.237 0.128 1
1 51 . 9 1 1 A 16 16 ASN CA C 16 52.946 52.554 0.392 1
1 52 . 9 1 1 A 16 16 ASN CB C 16 39.266 36.968 2.298 1
1 53 . 9 1 1 A 16 16 ASN N N 16 116.873 119.358 -2.485 1
1 55 . 9 1 1 A 17 17 GLU H H 17 7.712 7.799 -0.087 1
1 56 . 9 1 1 A 17 17 GLU HA H 17 3.233 4.818 -1.585 1
1 61 . 9 1 1 A 17 17 GLU C C 17 174.415 173.498 0.917 1
1 62 . 9 1 1 A 17 17 GLU CA C 17 54.423 54.629 -0.206 1
1 63 . 9 1 1 A 17 17 GLU CB C 17 29.911 33.491 -3.580 1
1 65 . 9 1 1 A 17 17 GLU N N 17 122.673 123.482 -0.809 1
1 66 . 9 1 1 A 18 18 PRO HA H 18 4.384 4.555 -0.171 1
1 73 . 9 1 1 A 18 18 PRO CA C 18 62.896 62.648 0.248 1
1 74 . 9 1 1 A 18 18 PRO CB C 18 31.963 32.214 -0.251 1
1 77 . 9 1 1 A 19 19 GLN H H 19 8.654 8.348 0.306 1
1 78 . 9 1 1 A 19 19 GLN HA H 19 4.293 4.745 -0.452 1
1 85 . 9 1 1 A 19 19 GLN C C 19 175.384 174.918 0.466 1
1 86 . 9 1 1 A 19 19 GLN CA C 19 55.057 54.718 0.339 1
1 87 . 9 1 1 A 19 19 GLN CB C 19 29.793 30.925 -1.132 1
1 89 . 9 1 1 A 19 19 GLN N N 19 122.106 119.798 2.308 1
1 91 . 9 1 1 A 20 20 LYS H H 20 8.383 8.316 0.067 1
1 92 . 9 1 1 A 20 20 LYS HA H 20 3.393 3.014 0.379 1
1 101 . 9 1 1 A 20 20 LYS C C 20 174.706 175.014 -0.308 1
1 102 . 9 1 1 A 20 20 LYS CA C 20 54.951 53.636 1.315 1
1 103 . 9 1 1 A 20 20 LYS CB C 20 31.802 32.223 -0.421 1
1 107 . 9 1 1 A 20 20 LYS N N 20 124.861 122.109 2.752 1
1 108 . 9 1 1 A 21 21 PRO HA H 21 4.500 4.459 0.041 1
1 115 . 9 1 1 A 21 21 PRO C C 21 176.741 176.705 0.036 1
1 116 . 9 1 1 A 21 21 PRO CA C 21 62.396 62.655 -0.259 1
1 117 . 9 1 1 A 21 21 PRO CB C 21 32.392 31.773 0.619 1
1 120 . 9 1 1 A 22 22 VAL H H 22 7.850 8.108 -0.258 1
1 121 . 9 1 1 A 22 22 VAL HA H 22 4.303 4.250 0.053 1
1 129 . 9 1 1 A 22 22 VAL C C 22 175.615 175.584 0.031 1
1 130 . 9 1 1 A 22 22 VAL CA C 22 60.967 60.329 0.638 1
1 131 . 9 1 1 A 22 22 VAL CB C 22 32.342 33.305 -0.963 1
1 134 . 9 1 1 A 22 22 VAL N N 22 115.924 117.559 -1.635 1
1 135 . 9 1 1 A 23 23 SER H H 23 8.125 8.399 -0.274 1
1 136 . 9 1 1 A 23 23 SER HA H 23 4.433 4.598 -0.165 1
1 139 . 9 1 1 A 23 23 SER C C 23 173.516 175.171 -1.655 1
1 140 . 9 1 1 A 23 23 SER CA C 23 57.590 57.539 0.051 1
1 141 . 9 1 1 A 23 23 SER CB C 23 65.578 64.430 1.148 1
1 142 . 9 1 1 A 23 23 SER N N 23 116.922 117.614 -0.692 1
1 143 . 9 1 1 A 24 24 ALA H H 24 8.707 8.791 -0.084 1
1 144 . 9 1 1 A 24 24 ALA HA H 24 4.046 4.193 -0.147 1
1 148 . 9 1 1 A 24 24 ALA C C 24 178.727 178.639 0.088 1
1 149 . 9 1 1 A 24 24 ALA CA C 24 55.971 54.934 1.037 1
1 150 . 9 1 1 A 24 24 ALA CB C 24 18.505 18.857 -0.352 1
1 151 . 9 1 1 A 24 24 ALA N N 24 123.025 126.117 -3.092 1
1 152 . 9 1 1 A 25 25 TYR H H 25 8.119 8.114 0.005 1
1 153 . 9 1 1 A 25 25 TYR HA H 25 2.678 2.053 0.625 1
1 160 . 9 1 1 A 25 25 TYR C C 25 176.253 177.311 -1.058 1
1 161 . 9 1 1 A 25 25 TYR CA C 25 60.281 60.577 -0.296 1
1 162 . 9 1 1 A 25 25 TYR CB C 25 37.951 37.927 0.024 1
1 167 . 9 1 1 A 25 25 TYR N N 25 115.954 119.083 -3.129 1
1 168 . 9 1 1 A 26 26 ALA H H 26 7.742 7.664 0.078 1
1 169 . 9 1 1 A 26 26 ALA HA H 26 3.758 3.695 0.063 1
1 173 . 9 1 1 A 26 26 ALA C C 26 181.489 179.410 2.079 1
1 174 . 9 1 1 A 26 26 ALA CA C 26 54.859 54.494 0.365 1
1 175 . 9 1 1 A 26 26 ALA CB C 26 18.029 18.188 -0.159 1
1 176 . 9 1 1 A 26 26 ALA N N 26 121.384 121.267 0.117 1
1 177 . 9 1 1 A 27 27 LEU H H 27 7.991 7.825 0.166 1
1 178 . 9 1 1 A 27 27 LEU HA H 27 4.023 3.935 0.088 1
1 188 . 9 1 1 A 27 27 LEU C C 27 178.625 178.663 -0.038 1
1 189 . 9 1 1 A 27 27 LEU CA C 27 57.876 57.825 0.051 1
1 190 . 9 1 1 A 27 27 LEU CB C 27 42.103 41.775 0.328 1
1 194 . 9 1 1 A 27 27 LEU N N 27 120.626 119.044 1.582 1
1 195 . 9 1 1 A 28 28 PHE H H 28 7.706 7.365 0.341 1
1 196 . 9 1 1 A 28 28 PHE HA H 28 3.653 4.019 -0.366 1
1 204 . 9 1 1 A 28 28 PHE C C 28 178.640 177.588 1.052 1
1 205 . 9 1 1 A 28 28 PHE CA C 28 61.653 59.514 2.139 1
1 206 . 9 1 1 A 28 28 PHE CB C 28 39.060 39.442 -0.382 1
1 212 . 9 1 1 A 28 28 PHE N N 28 122.656 119.050 3.606 1
1 213 . 9 1 1 A 29 29 PHE H H 29 9.246 8.319 0.927 1
1 214 . 9 1 1 A 29 29 PHE HA H 29 3.483 3.899 -0.416 1
1 222 . 9 1 1 A 29 29 PHE C C 29 177.478 177.646 -0.168 1
1 223 . 9 1 1 A 29 29 PHE CA C 29 61.126 60.633 0.493 1
1 224 . 9 1 1 A 29 29 PHE CB C 29 38.837 38.783 0.054 1
1 230 . 9 1 1 A 29 29 PHE N N 29 123.986 119.355 4.631 1
1 231 . 9 1 1 A 30 30 ARG H H 30 8.044 8.282 -0.238 1
1 232 . 9 1 1 A 30 30 ARG HA H 30 4.046 4.240 -0.194 1
1 239 . 9 1 1 A 30 30 ARG C C 30 179.156 177.644 1.512 1
1 240 . 9 1 1 A 30 30 ARG CA C 30 59.542 58.335 1.207 1
1 241 . 9 1 1 A 30 30 ARG CB C 30 30.053 29.634 0.419 1
1 244 . 9 1 1 A 30 30 ARG N N 30 119.141 118.351 0.790 1
1 245 . 9 1 1 A 31 31 ASP H H 31 7.712 7.969 -0.257 1
1 246 . 9 1 1 A 31 31 ASP HA H 31 4.523 4.529 -0.006 1
1 249 . 9 1 1 A 31 31 ASP C C 31 177.850 178.078 -0.228 1
1 250 . 9 1 1 A 31 31 ASP CA C 31 56.516 56.397 0.119 1
1 251 . 9 1 1 A 31 31 ASP CB C 31 40.664 41.126 -0.462 1
1 252 . 9 1 1 A 31 31 ASP N N 31 118.527 119.140 -0.613 1
1 253 . 9 1 1 A 32 32 THR H H 32 7.704 7.243 0.461 1
1 254 . 9 1 1 A 32 32 THR HA H 32 3.953 3.850 0.103 1
1 259 . 9 1 1 A 32 32 THR C C 32 175.637 175.518 0.119 1
1 260 . 9 1 1 A 32 32 THR CA C 32 65.030 66.275 -1.245 1
1 261 . 9 1 1 A 32 32 THR CB C 32 69.195 68.627 0.568 1
1 263 . 9 1 1 A 32 32 THR N N 32 115.935 115.988 -0.053 1
1 264 . 9 1 1 A 33 33 GLN H H 33 8.361 7.863 0.498 1
1 265 . 9 1 1 A 33 33 GLN HA H 33 3.373 3.686 -0.313 1
1 272 . 9 1 1 A 33 33 GLN C C 33 176.526 177.885 -1.359 1
1 273 . 9 1 1 A 33 33 GLN CA C 33 60.000 58.886 1.114 1
1 274 . 9 1 1 A 33 33 GLN CB C 33 26.827 28.357 -1.530 1
1 276 . 9 1 1 A 33 33 GLN N N 33 120.539 119.550 0.989 1
1 278 . 9 1 1 A 34 34 ALA H H 34 8.053 7.892 0.161 1
1 279 . 9 1 1 A 34 34 ALA HA H 34 3.964 3.984 -0.020 1
1 283 . 9 1 1 A 34 34 ALA C C 34 180.762 180.014 0.748 1
1 284 . 9 1 1 A 34 34 ALA CA C 34 55.338 55.067 0.271 1
1 285 . 9 1 1 A 34 34 ALA CB C 34 17.724 18.266 -0.542 1
1 286 . 9 1 1 A 34 34 ALA N N 34 120.505 120.827 -0.322 1
1 287 . 9 1 1 A 35 35 ALA H H 35 7.763 8.064 -0.301 1
1 288 . 9 1 1 A 35 35 ALA HA H 35 4.135 4.087 0.048 1
1 292 . 9 1 1 A 35 35 ALA C C 35 180.801 179.787 1.014 1
1 293 . 9 1 1 A 35 35 ALA CA C 35 54.635 55.189 -0.554 1
1 294 . 9 1 1 A 35 35 ALA CB C 35 17.888 18.221 -0.333 1
1 295 . 9 1 1 A 35 35 ALA N N 35 122.109 120.063 2.046 1
1 296 . 9 1 1 A 36 36 ILE H H 36 7.673 7.878 -0.205 1
1 297 . 9 1 1 A 36 36 ILE HA H 36 3.753 3.600 0.153 1
1 307 . 9 1 1 A 36 36 ILE C C 36 179.213 177.947 1.266 1
1 308 . 9 1 1 A 36 36 ILE CA C 36 62.955 65.134 -2.179 1
1 309 . 9 1 1 A 36 36 ILE CB C 36 36.388 37.696 -1.308 1
1 313 . 9 1 1 A 36 36 ILE N N 36 118.252 118.770 -0.518 1
1 314 . 9 1 1 A 37 37 LYS H H 37 8.444 8.324 0.120 1
1 315 . 9 1 1 A 37 37 LYS HA H 37 3.982 3.875 0.107 1
1 324 . 9 1 1 A 37 37 LYS C C 37 178.872 179.117 -0.245 1
1 325 . 9 1 1 A 37 37 LYS CA C 37 58.715 59.632 -0.917 1
1 326 . 9 1 1 A 37 37 LYS CB C 37 31.802 32.202 -0.400 1
1 330 . 9 1 1 A 37 37 LYS N N 37 121.415 119.486 1.929 1
1 331 . 9 1 1 A 38 38 GLY H H 38 7.873 8.191 -0.318 1
1 332 . 9 1 1 A 38 38 GLY HA2 H 38 3.849 3.737 0.112 1
1 333 . 9 1 1 A 38 38 GLY HA3 H 38 3.849 3.738 0.111 1
1 334 . 9 1 1 A 38 38 GLY C C 38 175.341 176.189 -0.848 1
1 335 . 9 1 1 A 38 38 GLY CA C 38 46.490 47.365 -0.875 1
1 336 . 9 1 1 A 38 38 GLY N N 38 104.723 107.008 -2.285 1
1 337 . 9 1 1 A 39 39 GLN H H 39 7.288 7.544 -0.256 1
1 338 . 9 1 1 A 39 39 GLN HA H 39 4.313 4.230 0.083 1
1 345 . 9 1 1 A 39 39 GLN C C 39 175.814 175.867 -0.053 1
1 346 . 9 1 1 A 39 39 GLN CA C 39 56.482 57.147 -0.665 1
1 347 . 9 1 1 A 39 39 GLN CB C 39 30.074 29.496 0.578 1
1 349 . 9 1 1 A 39 39 GLN N N 39 117.295 119.326 -2.031 1
1 351 . 9 1 1 A 40 40 ASN H H 40 7.780 8.096 -0.316 1
1 352 . 9 1 1 A 40 40 ASN HA H 40 5.159 5.194 -0.035 1
1 357 . 9 1 1 A 40 40 ASN C C 40 172.428 173.491 -1.063 1
1 358 . 9 1 1 A 40 40 ASN CA C 40 50.877 50.408 0.469 1
1 359 . 9 1 1 A 40 40 ASN CB C 40 39.595 38.857 0.738 1
1 360 . 9 1 1 A 40 40 ASN N N 40 115.989 117.186 -1.197 1
1 362 . 9 1 1 A 41 41 PRO HA H 41 4.523 4.274 0.249 1
1 369 . 9 1 1 A 41 41 PRO C C 41 177.550 177.958 -0.408 1
1 370 . 9 1 1 A 41 41 PRO CA C 41 64.837 64.562 0.275 1
1 371 . 9 1 1 A 41 41 PRO CB C 41 32.073 31.922 0.151 1
1 374 . 9 1 1 A 42 42 ASN H H 42 8.363 8.566 -0.203 1
1 375 . 9 1 1 A 42 42 ASN HA H 42 4.853 4.518 0.335 1
1 380 . 9 1 1 A 42 42 ASN C C 42 175.387 176.073 -0.686 1
1 381 . 9 1 1 A 42 42 ASN CA C 42 52.753 54.998 -2.245 1
1 382 . 9 1 1 A 42 42 ASN CB C 42 38.879 37.292 1.587 1
1 383 . 9 1 1 A 42 42 ASN N N 42 114.677 113.802 0.875 1
1 385 . 9 1 1 A 43 43 ALA H H 43 7.533 7.225 0.308 1
1 386 . 9 1 1 A 43 43 ALA HA H 43 4.443 4.320 0.123 1
1 390 . 9 1 1 A 43 43 ALA C C 43 178.490 176.942 1.548 1
1 391 . 9 1 1 A 43 43 ALA CA C 43 52.647 52.691 -0.044 1
1 392 . 9 1 1 A 43 43 ALA CB C 43 19.314 19.500 -0.186 1
1 393 . 9 1 1 A 43 43 ALA N N 43 124.307 122.733 1.574 1
1 394 . 9 1 1 A 44 44 THR H H 44 8.698 8.794 -0.096 1
1 395 . 9 1 1 A 44 44 THR HA H 44 4.482 4.522 -0.040 1
1 400 . 9 1 1 A 44 44 THR C C 44 175.408 175.706 -0.298 1
1 401 . 9 1 1 A 44 44 THR CA C 44 60.791 61.459 -0.668 1
1 402 . 9 1 1 A 44 44 THR CB C 44 71.516 69.593 1.923 1
1 404 . 9 1 1 A 44 44 THR N N 44 114.309 116.565 -2.256 1
1 405 . 9 1 1 A 45 45 PHE HA H 45 4.303 4.035 0.268 1
1 410 . 9 1 1 A 45 45 PHE CA C 45 61.982 61.484 0.498 1
1 411 . 9 1 1 A 45 45 PHE CB C 45 38.942 39.325 -0.383 1
1 414 . 9 1 1 A 46 46 GLY HA2 H 46 3.962 3.769 0.193 1
1 415 . 9 1 1 A 46 46 GLY HA3 H 46 3.745 3.799 -0.054 1
1 416 . 9 1 1 A 46 46 GLY C C 46 176.621 175.864 0.757 1
1 417 . 9 1 1 A 46 46 GLY CA C 46 46.930 47.403 -0.473 1
1 418 . 9 1 1 A 47 47 GLU H H 47 7.692 8.111 -0.419 1
1 419 . 9 1 1 A 47 47 GLU HA H 47 4.053 4.080 -0.027 1
1 424 . 9 1 1 A 47 47 GLU C C 47 179.472 179.071 0.401 1
1 425 . 9 1 1 A 47 47 GLU CA C 47 59.296 59.373 -0.077 1
1 426 . 9 1 1 A 47 47 GLU CB C 47 29.769 29.314 0.455 1
1 428 . 9 1 1 A 47 47 GLU N N 47 123.040 121.417 1.623 1
1 429 . 9 1 1 A 48 48 VAL H H 48 8.504 8.044 0.460 1
1 430 . 9 1 1 A 48 48 VAL HA H 48 3.413 3.555 -0.142 1
1 438 . 9 1 1 A 48 48 VAL C C 48 177.640 178.318 -0.678 1
1 439 . 9 1 1 A 48 48 VAL CA C 48 67.159 66.696 0.463 1
1 440 . 9 1 1 A 48 48 VAL CB C 48 31.820 31.614 0.206 1
1 443 . 9 1 1 A 48 48 VAL N N 48 120.194 120.783 -0.589 1
1 444 . 9 1 1 A 49 49 SER H H 49 8.442 8.341 0.101 1
1 445 . 9 1 1 A 49 49 SER HA H 49 4.093 4.225 -0.132 1
1 448 . 9 1 1 A 49 49 SER C C 49 176.016 176.779 -0.763 1
1 449 . 9 1 1 A 49 49 SER CA C 49 62.500 62.177 0.323 1
1 450 . 9 1 1 A 49 49 SER CB C 49 62.653 63.238 -0.585 1
1 451 . 9 1 1 A 49 49 SER N N 49 113.484 116.065 -2.581 1
1 452 . 9 1 1 A 50 50 LYS H H 50 7.474 8.258 -0.784 1
1 453 . 9 1 1 A 50 50 LYS HA H 50 4.132 4.123 0.009 1
1 462 . 9 1 1 A 50 50 LYS C C 50 179.463 178.850 0.613 1
1 463 . 9 1 1 A 50 50 LYS CA C 50 59.525 59.265 0.260 1
1 464 . 9 1 1 A 50 50 LYS CB C 50 32.606 32.378 0.228 1
1 468 . 9 1 1 A 50 50 LYS N N 50 120.865 121.571 -0.706 1
1 469 . 9 1 1 A 51 51 ILE H H 51 7.853 7.376 0.477 1
1 470 . 9 1 1 A 51 51 ILE HA H 51 3.793 3.854 -0.061 1
1 480 . 9 1 1 A 51 51 ILE C C 51 179.105 177.922 1.183 1
1 481 . 9 1 1 A 51 51 ILE CA C 51 65.488 64.667 0.821 1
1 482 . 9 1 1 A 51 51 ILE CB C 51 38.603 38.070 0.533 1
1 486 . 9 1 1 A 51 51 ILE N N 51 121.720 119.786 1.934 1
1 487 . 9 1 1 A 52 52 VAL H H 52 8.703 7.646 1.057 1
1 488 . 9 1 1 A 52 52 VAL HA H 52 3.659 3.650 0.009 1
1 496 . 9 1 1 A 52 52 VAL C C 52 178.262 178.413 -0.151 1
1 497 . 9 1 1 A 52 52 VAL CA C 52 67.388 66.853 0.535 1
1 498 . 9 1 1 A 52 52 VAL CB C 52 31.185 31.576 -0.391 1
1 501 . 9 1 1 A 52 52 VAL N N 52 121.006 119.932 1.074 1
1 502 . 9 1 1 A 53 53 ALA H H 53 8.343 8.547 -0.204 1
1 503 . 9 1 1 A 53 53 ALA HA H 53 4.412 4.550 -0.138 1
1 507 . 9 1 1 A 53 53 ALA C C 53 180.884 179.568 1.316 1
1 508 . 9 1 1 A 53 53 ALA CA C 53 56.271 55.226 1.045 1
1 509 . 9 1 1 A 53 53 ALA CB C 53 17.888 18.360 -0.472 1
1 510 . 9 1 1 A 53 53 ALA N N 53 122.645 122.033 0.612 1
1 511 . 9 1 1 A 54 54 SER H H 54 7.905 7.968 -0.063 1
1 512 . 9 1 1 A 54 54 SER HA H 54 4.415 4.479 -0.064 1
1 515 . 9 1 1 A 54 54 SER C C 54 177.818 176.246 1.572 1
1 516 . 9 1 1 A 54 54 SER CA C 54 61.635 60.829 0.806 1
1 517 . 9 1 1 A 54 54 SER CB C 54 62.947 63.328 -0.381 1
1 518 . 9 1 1 A 54 54 SER N N 54 114.062 114.442 -0.380 1
1 519 . 9 1 1 A 55 55 MET H H 55 8.553 8.595 -0.042 1
1 520 . 9 1 1 A 55 55 MET HA H 55 4.194 4.373 -0.179 1
1 528 . 9 1 1 A 55 55 MET C C 55 179.156 178.436 0.720 1
1 529 . 9 1 1 A 55 55 MET CA C 55 59.190 58.736 0.454 1
1 530 . 9 1 1 A 55 55 MET CB C 55 33.551 33.917 -0.366 1
1 533 . 9 1 1 A 55 55 MET N N 55 123.394 119.723 3.671 1
1 534 . 9 1 1 A 56 56 TRP H H 56 8.864 8.945 -0.081 1
1 535 . 9 1 1 A 56 56 TRP HA H 56 3.899 3.809 0.090 1
1 544 . 9 1 1 A 56 56 TRP C C 56 178.213 178.630 -0.417 1
1 545 . 9 1 1 A 56 56 TRP CA C 56 59.806 61.223 -1.417 1
1 546 . 9 1 1 A 56 56 TRP CB C 56 30.281 29.473 0.808 1
1 552 . 9 1 1 A 56 56 TRP N N 56 121.428 123.027 -1.599 1
1 554 . 9 1 1 A 57 57 ASP H H 57 8.061 7.767 0.294 1
1 555 . 9 1 1 A 57 57 ASP HA H 57 4.253 4.422 -0.169 1
1 558 . 9 1 1 A 57 57 ASP C C 57 178.103 177.570 0.533 1
1 559 . 9 1 1 A 57 57 ASP CA C 57 57.186 57.506 -0.320 1
1 560 . 9 1 1 A 57 57 ASP CB C 57 40.705 40.696 0.009 1
1 561 . 9 1 1 A 57 57 ASP N N 57 117.661 118.822 -1.161 1
1 562 . 9 1 1 A 58 58 GLY H H 58 7.481 7.865 -0.384 1
1 563 . 9 1 1 A 58 58 GLY HA2 H 58 4.202 3.938 0.264 1
1 564 . 9 1 1 A 58 58 GLY HA3 H 58 3.672 3.975 -0.303 1
1 565 . 9 1 1 A 58 58 GLY C C 58 174.062 173.164 0.898 1
1 566 . 9 1 1 A 58 58 GLY CA C 58 44.872 45.446 -0.574 1
1 567 . 9 1 1 A 58 58 GLY N N 58 103.794 106.317 -2.523 1
1 568 . 9 1 1 A 59 59 LEU H H 59 7.153 7.247 -0.094 1
1 569 . 9 1 1 A 59 59 LEU HA H 59 4.123 4.340 -0.217 1
1 579 . 9 1 1 A 59 59 LEU C C 59 177.880 177.322 0.558 1
1 580 . 9 1 1 A 59 59 LEU CA C 59 55.114 53.823 1.291 1
1 581 . 9 1 1 A 59 59 LEU CB C 59 43.149 42.554 0.595 1
1 585 . 9 1 1 A 59 59 LEU N N 59 123.874 121.470 2.404 1
1 586 . 9 1 1 A 60 60 GLY H H 60 8.523 8.111 0.412 1
1 587 . 9 1 1 A 60 60 GLY HA2 H 60 4.091 3.997 0.094 1
1 588 . 9 1 1 A 60 60 GLY HA3 H 60 3.993 4.009 -0.016 1
1 589 . 9 1 1 A 60 60 GLY C C 60 174.634 174.912 -0.278 1
1 590 . 9 1 1 A 60 60 GLY CA C 60 44.995 45.144 -0.149 1
1 591 . 9 1 1 A 60 60 GLY N N 60 110.475 108.022 2.453 1
1 592 . 9 1 1 A 61 61 GLU H H 61 8.743 8.655 0.088 1
1 593 . 9 1 1 A 61 61 GLU HA H 61 3.873 3.832 0.041 1
1 598 . 9 1 1 A 61 61 GLU C C 61 178.841 178.397 0.444 1
1 599 . 9 1 1 A 61 61 GLU CA C 61 59.577 59.641 -0.064 1
1 600 . 9 1 1 A 61 61 GLU CB C 61 29.299 29.390 -0.091 1
1 602 . 9 1 1 A 61 61 GLU N N 61 122.609 122.386 0.223 1
1 603 . 9 1 1 A 62 62 GLU H H 62 9.063 8.107 0.956 1
1 604 . 9 1 1 A 62 62 GLU HA H 62 4.033 4.045 -0.012 1
1 609 . 9 1 1 A 62 62 GLU C C 62 179.086 178.868 0.218 1
1 610 . 9 1 1 A 62 62 GLU CA C 62 59.841 59.242 0.599 1
1 611 . 9 1 1 A 62 62 GLU CB C 62 28.660 29.278 -0.618 1
1 613 . 9 1 1 A 62 62 GLU N N 62 118.089 119.218 -1.129 1
1 614 . 9 1 1 A 63 63 GLN H H 63 7.563 8.153 -0.590 1
1 615 . 9 1 1 A 63 63 GLN HA H 63 4.282 4.060 0.222 1
1 622 . 9 1 1 A 63 63 GLN C C 63 179.406 179.049 0.357 1
1 623 . 9 1 1 A 63 63 GLN CA C 63 59.050 58.237 0.813 1
1 624 . 9 1 1 A 63 63 GLN CB C 63 29.089 28.430 0.659 1
1 626 . 9 1 1 A 63 63 GLN N N 63 118.216 118.725 -0.509 1
1 628 . 9 1 1 A 64 64 LYS H H 64 8.193 7.930 0.263 1
1 629 . 9 1 1 A 64 64 LYS HA H 64 3.933 4.038 -0.105 1
1 638 . 9 1 1 A 64 64 LYS C C 64 179.858 179.377 0.481 1
1 639 . 9 1 1 A 64 64 LYS CA C 64 60.774 59.206 1.568 1
1 640 . 9 1 1 A 64 64 LYS CB C 64 33.100 32.258 0.842 1
1 644 . 9 1 1 A 64 64 LYS N N 64 119.928 120.346 -0.418 1
1 645 . 9 1 1 A 65 65 GLN H H 65 8.459 8.373 0.086 1
1 646 . 9 1 1 A 65 65 GLN HA H 65 4.056 4.128 -0.072 1
1 653 . 9 1 1 A 65 65 GLN C C 65 177.751 178.193 -0.442 1
1 654 . 9 1 1 A 65 65 GLN CA C 65 58.891 58.606 0.285 1
1 655 . 9 1 1 A 65 65 GLN CB C 65 28.167 28.483 -0.316 1
1 657 . 9 1 1 A 65 65 GLN N N 65 117.874 118.155 -0.281 1
1 659 . 9 1 1 A 66 66 VAL H H 66 7.408 7.796 -0.388 1
1 660 . 9 1 1 A 66 66 VAL HA H 66 3.653 3.708 -0.055 1
1 668 . 9 1 1 A 66 66 VAL C C 66 178.900 177.446 1.454 1
1 669 . 9 1 1 A 66 66 VAL CA C 66 66.860 65.278 1.582 1
1 670 . 9 1 1 A 66 66 VAL CB C 66 31.784 31.283 0.501 1
1 673 . 9 1 1 A 66 66 VAL N N 66 119.348 120.483 -1.135 1
1 674 . 9 1 1 A 67 67 TYR H H 67 7.229 7.445 -0.216 1
1 675 . 9 1 1 A 67 67 TYR HA H 67 4.151 4.391 -0.240 1
1 682 . 9 1 1 A 67 67 TYR C C 67 178.776 178.877 -0.101 1
1 683 . 9 1 1 A 67 67 TYR CA C 67 63.307 61.716 1.591 1
1 684 . 9 1 1 A 67 67 TYR CB C 67 39.308 37.864 1.444 1
1 689 . 9 1 1 A 67 67 TYR N N 67 117.638 120.904 -3.266 1
1 690 . 9 1 1 A 68 68 LYS H H 68 8.554 7.644 0.910 1
1 691 . 9 1 1 A 68 68 LYS HA H 68 4.195 4.312 -0.117 1
1 698 . 9 1 1 A 68 68 LYS C C 68 179.468 179.457 0.011 1
1 699 . 9 1 1 A 68 68 LYS CA C 68 60.703 58.849 1.854 1
1 700 . 9 1 1 A 68 68 LYS CB C 68 32.154 32.537 -0.383 1
1 704 . 9 1 1 A 68 68 LYS N N 68 121.795 120.791 1.004 1
1 705 . 9 1 1 A 69 69 LYS H H 69 8.883 7.848 1.035 1
1 706 . 9 1 1 A 69 69 LYS HA H 69 4.171 4.212 -0.041 1
1 715 . 9 1 1 A 69 69 LYS C C 69 180.214 179.251 0.963 1
1 716 . 9 1 1 A 69 69 LYS CA C 69 59.824 59.569 0.255 1
1 717 . 9 1 1 A 69 69 LYS CB C 69 32.072 32.320 -0.248 1
1 721 . 9 1 1 A 69 69 LYS N N 69 120.539 119.641 0.898 1
1 722 . 9 1 1 A 70 70 LYS H H 70 7.791 7.861 -0.070 1
1 723 . 9 1 1 A 70 70 LYS HA H 70 4.211 4.116 0.095 1
1 732 . 9 1 1 A 70 70 LYS C C 70 179.985 179.069 0.916 1
1 733 . 9 1 1 A 70 70 LYS CA C 70 60.017 59.078 0.939 1
1 734 . 9 1 1 A 70 70 LYS CB C 70 33.200 32.595 0.605 1
1 738 . 9 1 1 A 70 70 LYS N N 70 119.946 120.237 -0.291 1
1 739 . 9 1 1 A 71 71 THR H H 71 8.002 7.710 0.292 1
1 740 . 9 1 1 A 71 71 THR HA H 71 4.301 3.911 0.390 1
1 745 . 9 1 1 A 71 71 THR C C 71 176.462 176.714 -0.252 1
1 746 . 9 1 1 A 71 71 THR CA C 71 66.402 66.742 -0.340 1
1 747 . 9 1 1 A 71 71 THR CB C 71 68.949 68.384 0.565 1
1 749 . 9 1 1 A 71 71 THR N N 71 116.183 116.851 -0.668 1
1 750 . 9 1 1 A 72 72 GLU H H 72 8.295 8.115 0.180 1
1 751 . 9 1 1 A 72 72 GLU HA H 72 4.143 4.069 0.074 1
1 756 . 9 1 1 A 72 72 GLU C C 72 179.498 179.710 -0.212 1
1 757 . 9 1 1 A 72 72 GLU CA C 72 59.665 59.235 0.430 1
1 758 . 9 1 1 A 72 72 GLU CB C 72 29.400 29.785 -0.385 1
1 760 . 9 1 1 A 72 72 GLU N N 72 123.438 119.753 3.685 1
1 761 . 9 1 1 A 73 73 ALA H H 73 8.063 7.857 0.206 1
1 762 . 9 1 1 A 73 73 ALA HA H 73 4.262 4.145 0.117 1
1 766 . 9 1 1 A 73 73 ALA C C 73 180.639 178.706 1.933 1
1 767 . 9 1 1 A 73 73 ALA CA C 73 55.268 54.282 0.986 1
1 768 . 9 1 1 A 73 73 ALA CB C 73 17.824 18.241 -0.417 1
1 769 . 9 1 1 A 73 73 ALA N N 73 122.231 122.434 -0.203 1
1 770 . 9 1 1 A 74 74 ALA H H 74 8.093 8.056 0.037 1
1 771 . 9 1 1 A 74 74 ALA HA H 74 4.320 4.293 0.027 1
1 775 . 9 1 1 A 74 74 ALA C C 74 181.394 179.644 1.750 1
1 776 . 9 1 1 A 74 74 ALA CA C 74 54.904 53.918 0.986 1
1 777 . 9 1 1 A 74 74 ALA CB C 74 18.313 19.251 -0.938 1
1 778 . 9 1 1 A 74 74 ALA N N 74 121.882 119.186 2.696 1
1 779 . 9 1 1 A 75 75 LYS H H 75 8.661 7.811 0.850 1
1 780 . 9 1 1 A 75 75 LYS HA H 75 4.053 4.163 -0.110 1
1 786 . 9 1 1 A 75 75 LYS C C 75 178.096 178.877 -0.781 1
1 787 . 9 1 1 A 75 75 LYS CA C 75 60.510 59.376 1.134 1
1 788 . 9 1 1 A 75 75 LYS CB C 75 32.236 32.305 -0.069 1
1 792 . 9 1 1 A 75 75 LYS N N 75 121.652 118.104 3.548 1
1 793 . 9 1 1 A 76 76 LYS H H 76 7.855 8.130 -0.275 1
1 794 . 9 1 1 A 76 76 LYS HA H 76 4.110 3.954 0.156 1
1 799 . 9 1 1 A 76 76 LYS C C 76 179.822 179.242 0.580 1
1 800 . 9 1 1 A 76 76 LYS CA C 76 59.993 59.970 0.023 1
1 801 . 9 1 1 A 76 76 LYS CB C 76 32.401 32.294 0.107 1
1 805 . 9 1 1 A 76 76 LYS N N 76 119.219 118.099 1.120 1
1 806 . 9 1 1 A 77 77 GLU H H 77 7.880 8.276 -0.396 1
1 807 . 9 1 1 A 77 77 GLU HA H 77 4.233 4.097 0.136 1
1 812 . 9 1 1 A 77 77 GLU C C 77 178.358 178.170 0.188 1
1 813 . 9 1 1 A 77 77 GLU CA C 77 58.980 59.235 -0.255 1
1 814 . 9 1 1 A 77 77 GLU CB C 77 29.235 29.270 -0.035 1
1 816 . 9 1 1 A 77 77 GLU N N 77 119.640 118.369 1.271 1
1 817 . 9 1 1 A 78 78 TYR H H 78 8.391 7.974 0.417 1
1 818 . 9 1 1 A 78 78 TYR HA H 78 4.413 4.096 0.317 1
1 825 . 9 1 1 A 78 78 TYR C C 78 176.737 177.073 -0.336 1
1 826 . 9 1 1 A 78 78 TYR CA C 78 60.809 61.441 -0.632 1
1 827 . 9 1 1 A 78 78 TYR CB C 78 38.239 38.775 -0.536 1
1 832 . 9 1 1 A 78 78 TYR N N 78 121.464 122.016 -0.552 1
1 833 . 9 1 1 A 79 79 LEU H H 79 8.203 8.127 0.076 1
1 834 . 9 1 1 A 79 79 LEU HA H 79 3.764 3.538 0.226 1
1 844 . 9 1 1 A 79 79 LEU C C 79 180.728 178.959 1.769 1
1 845 . 9 1 1 A 79 79 LEU CA C 79 58.170 57.762 0.408 1
1 846 . 9 1 1 A 79 79 LEU CB C 79 41.445 41.279 0.166 1
1 850 . 9 1 1 A 79 79 LEU N N 79 118.433 119.825 -1.392 1
1 851 . 9 1 1 A 80 80 LYS H H 80 7.523 7.676 -0.153 1
1 852 . 9 1 1 A 80 80 LYS HA H 80 4.134 3.924 0.210 1
1 861 . 9 1 1 A 80 80 LYS C C 80 179.804 179.653 0.151 1
1 862 . 9 1 1 A 80 80 LYS CA C 80 59.630 59.972 -0.342 1
1 863 . 9 1 1 A 80 80 LYS CB C 80 32.400 32.297 0.103 1
1 867 . 9 1 1 A 80 80 LYS N N 80 120.723 117.497 3.226 1
1 868 . 9 1 1 A 81 81 GLN H H 81 8.473 8.595 -0.122 1
1 869 . 9 1 1 A 81 81 GLN HA H 81 4.144 3.949 0.195 1
1 876 . 9 1 1 A 81 81 GLN C C 81 179.906 178.383 1.523 1
1 877 . 9 1 1 A 81 81 GLN CA C 81 58.628 59.184 -0.556 1
1 878 . 9 1 1 A 81 81 GLN CB C 81 28.273 28.289 -0.016 1
1 880 . 9 1 1 A 81 81 GLN N N 81 120.899 118.870 2.029 1
1 882 . 9 1 1 A 82 82 LEU H H 82 9.233 7.867 1.366 1
1 883 . 9 1 1 A 82 82 LEU HA H 82 3.963 4.039 -0.076 1
1 893 . 9 1 1 A 82 82 LEU C C 82 178.293 178.331 -0.038 1
1 894 . 9 1 1 A 82 82 LEU CA C 82 57.959 58.444 -0.485 1
1 895 . 9 1 1 A 82 82 LEU CB C 82 42.044 41.848 0.196 1
1 899 . 9 1 1 A 82 82 LEU N N 82 123.463 121.930 1.533 1
1 900 . 9 1 1 A 83 83 ALA H H 83 7.732 8.259 -0.527 1
1 901 . 9 1 1 A 83 83 ALA HA H 83 4.223 3.964 0.259 1
1 905 . 9 1 1 A 83 83 ALA C C 83 180.853 179.608 1.245 1
1 906 . 9 1 1 A 83 83 ALA CA C 83 54.944 55.391 -0.447 1
1 907 . 9 1 1 A 83 83 ALA CB C 83 17.765 18.578 -0.813 1
1 908 . 9 1 1 A 83 83 ALA N N 83 120.956 120.035 0.921 1
1 909 . 9 1 1 A 84 84 ALA H H 84 7.716 7.645 0.071 1
1 910 . 9 1 1 A 84 84 ALA HA H 84 4.135 4.199 -0.064 1
1 914 . 9 1 1 A 84 84 ALA C C 84 180.256 179.350 0.906 1
1 915 . 9 1 1 A 84 84 ALA CA C 84 55.234 54.545 0.689 1
1 916 . 9 1 1 A 84 84 ALA CB C 84 17.806 19.047 -1.241 1
1 917 . 9 1 1 A 84 84 ALA N N 84 121.082 119.842 1.240 1
1 918 . 9 1 1 A 85 85 TYR H H 85 8.453 8.606 -0.153 1
1 919 . 9 1 1 A 85 85 TYR HA H 85 4.310 4.121 0.189 1
1 926 . 9 1 1 A 85 85 TYR C C 85 178.538 177.983 0.555 1
1 927 . 9 1 1 A 85 85 TYR CA C 85 60.862 61.931 -1.069 1
1 928 . 9 1 1 A 85 85 TYR CB C 85 38.444 38.861 -0.417 1
1 933 . 9 1 1 A 85 85 TYR N N 85 121.359 120.427 0.932 1
1 934 . 9 1 1 A 86 86 ARG H H 86 8.734 7.973 0.761 1
1 935 . 9 1 1 A 86 86 ARG HA H 86 3.713 3.731 -0.018 1
1 942 . 9 1 1 A 86 86 ARG C C 86 178.962 178.796 0.166 1
1 943 . 9 1 1 A 86 86 ARG CA C 86 59.454 59.524 -0.070 1
1 944 . 9 1 1 A 86 86 ARG CB C 86 29.605 30.014 -0.409 1
1 947 . 9 1 1 A 86 86 ARG N N 86 119.740 118.938 0.802 1
1 948 . 9 1 1 A 87 87 ALA H H 87 7.853 8.128 -0.275 1
1 949 . 9 1 1 A 87 87 ALA HA H 87 4.195 4.041 0.154 1
1 953 . 9 1 1 A 87 87 ALA C C 87 179.605 179.706 -0.101 1
1 954 . 9 1 1 A 87 87 ALA CA C 87 54.353 54.969 -0.616 1
1 955 . 9 1 1 A 87 87 ALA CB C 87 17.971 18.551 -0.580 1
1 956 . 9 1 1 A 87 87 ALA N N 87 120.667 122.262 -1.595 1
1 957 . 9 1 1 A 88 88 SER H H 88 7.763 7.930 -0.167 1
1 958 . 9 1 1 A 88 88 SER HA H 88 4.347 4.225 0.122 1
1 961 . 9 1 1 A 88 88 SER C C 88 175.219 177.289 -2.070 1
1 962 . 9 1 1 A 88 88 SER CA C 88 60.158 61.234 -1.076 1
1 963 . 9 1 1 A 88 88 SER CB C 88 63.440 62.771 0.669 1
1 964 . 9 1 1 A 88 88 SER N N 88 114.332 112.628 1.704 1
1 965 . 9 1 1 A 89 89 LEU H H 89 7.344 7.703 -0.359 1
1 966 . 9 1 1 A 89 89 LEU HA H 89 4.163 4.035 0.128 1
1 976 . 9 1 1 A 89 89 LEU C C 89 178.335 177.874 0.461 1
1 977 . 9 1 1 A 89 89 LEU CA C 89 56.059 57.108 -1.049 1
1 978 . 9 1 1 A 89 89 LEU CB C 89 42.062 41.624 0.438 1
1 982 . 9 1 1 A 89 89 LEU N N 89 121.862 121.972 -0.110 1
1 983 . 9 1 1 A 90 90 VAL H H 90 7.533 7.417 0.116 1
1 984 . 9 1 1 A 90 90 VAL HA H 90 4.063 4.281 -0.218 1
1 992 . 9 1 1 A 90 90 VAL C C 90 176.743 175.255 1.488 1
1 993 . 9 1 1 A 90 90 VAL CA C 90 63.183 60.653 2.530 1
1 994 . 9 1 1 A 90 90 VAL CB C 90 32.318 31.139 1.179 1
1 997 . 9 1 1 A 90 90 VAL N N 90 117.748 111.632 6.116 1
1 998 . 9 1 1 A 91 91 SER H H 91 8.059 7.825 0.234 1
1 999 . 9 1 1 A 91 91 SER HA H 91 4.415 4.096 0.319 1
1 1002 . 9 1 1 A 91 91 SER C C 91 174.854 174.038 0.816 1
1 1003 . 9 1 1 A 91 91 SER CA C 91 58.861 59.439 -0.578 1
1 1004 . 9 1 1 A 91 91 SER CB C 91 63.810 61.952 1.858 1
1 1005 . 9 1 1 A 91 91 SER N N 91 117.663 114.748 2.915 1
1 1006 . 9 1 1 A 92 92 LYS H H 92 8.158 8.380 -0.222 1
1 1007 . 9 1 1 A 92 92 LYS HA H 92 4.329 4.479 -0.150 1
1 1010 . 9 1 1 A 92 92 LYS C C 92 176.528 175.370 1.158 1
1 1011 . 9 1 1 A 92 92 LYS CA C 92 56.551 55.321 1.230 1
1 1012 . 9 1 1 A 92 92 LYS CB C 92 32.771 33.544 -0.773 1
1 1016 . 9 1 1 A 92 92 LYS N N 92 122.827 124.946 -2.119 1
1 1017 . 9 1 1 A 93 93 SER H H 93 8.186 7.573 0.613 1
1 1018 . 9 1 1 A 93 93 SER HA H 93 4.444 4.943 -0.499 1
1 1021 . 9 1 1 A 93 93 SER C C 93 174.271 172.683 1.588 1
1 1022 . 9 1 1 A 93 93 SER CA C 93 58.504 56.748 1.756 1
1 1023 . 9 1 1 A 93 93 SER CB C 93 63.933 65.898 -1.965 1
1 1024 . 9 1 1 A 93 93 SER N N 93 116.068 116.888 -0.820 1
1 1025 . 9 1 1 A 94 94 TYR H H 94 8.146 8.728 -0.582 1
1 1026 . 9 1 1 A 94 94 TYR HA H 94 4.658 4.875 -0.217 1
1 1033 . 9 1 1 A 94 94 TYR C C 94 176.011 175.374 0.637 1
1 1034 . 9 1 1 A 94 94 TYR CA C 94 58.135 57.110 1.025 1
1 1035 . 9 1 1 A 94 94 TYR CB C 94 38.855 42.879 -4.024 1
1 1040 . 9 1 1 A 94 94 TYR N N 94 122.150 122.688 -0.538 1
1 1041 . 9 1 1 A 95 95 THR H H 95 8.024 8.827 -0.803 1
1 1042 . 9 1 1 A 95 95 THR HA H 95 4.333 4.255 0.078 1
1 1047 . 9 1 1 A 95 95 THR C C 95 174.054 174.479 -0.425 1
1 1048 . 9 1 1 A 95 95 THR CA C 95 61.740 64.265 -2.525 1
1 1049 . 9 1 1 A 95 95 THR CB C 95 69.977 68.796 1.181 1
1 1051 . 9 1 1 A 95 95 THR N N 95 115.298 118.467 -3.169 1
1 1052 . 9 1 1 A 96 96 ASP H H 96 8.288 8.714 -0.426 1
1 1053 . 9 1 1 A 96 96 ASP HA H 96 4.663 5.122 -0.459 1
1 1056 . 9 1 1 A 96 96 ASP C C 96 176.252 174.038 2.214 1
1 1057 . 9 1 1 A 96 96 ASP CA C 96 54.494 54.722 -0.228 1
1 1058 . 9 1 1 A 96 96 ASP CB C 96 41.404 42.718 -1.314 1
1 1059 . 9 1 1 A 96 96 ASP N N 96 122.969 127.209 -4.240 1
1 1060 . 9 1 1 A 97 97 SER H H 97 8.272 8.736 -0.464 1
1 1061 . 9 1 1 A 97 97 SER HA H 97 4.500 5.110 -0.610 1
1 1063 . 9 1 1 A 97 97 SER C C 97 174.845 172.455 2.390 1
1 1064 . 9 1 1 A 97 97 SER CA C 97 58.522 56.533 1.989 1
1 1065 . 9 1 1 A 97 97 SER CB C 97 63.656 65.991 -2.335 1
1 1066 . 9 1 1 A 97 97 SER N N 97 116.137 119.101 -2.964 1
1 1067 . 9 1 1 A 98 98 GLY H H 98 8.289 8.428 -0.139 1
1 1068 . 9 1 1 A 98 98 GLY HA2 H 98 4.123 4.425 -0.302 1
1 1069 . 9 1 1 A 98 98 GLY HA3 H 98 4.123 4.426 -0.303 1
1 1070 . 9 1 1 A 98 98 GLY C C 98 171.920 171.900 0.020 1
1 1071 . 9 1 1 A 98 98 GLY CA C 98 44.748 45.544 -0.796 1
1 1072 . 9 1 1 A 98 98 GLY N N 98 110.751 110.216 0.535 1
1 1073 . 9 1 1 A 99 99 PRO HA H 99 4.490 4.638 -0.148 1
1 1080 . 9 1 1 A 99 99 PRO CA C 99 63.373 62.581 0.792 1
1 1081 . 9 1 1 A 99 99 PRO CB C 99 32.247 33.359 -1.112 1
1 1 . 10 1 1 A 12 12 LYS HA H 12 4.317 4.591 -0.274 1
1 6 . 10 1 1 A 12 12 LYS C C 12 176.329 176.090 0.239 1
1 7 . 10 1 1 A 12 12 LYS CA C 12 56.223 57.200 -0.977 1
1 8 . 10 1 1 A 12 12 LYS CB C 12 33.117 33.862 -0.745 1
1 12 . 10 1 1 A 13 13 LYS H H 13 8.394 8.004 0.390 1
1 13 . 10 1 1 A 13 13 LYS HA H 13 4.273 4.180 0.093 1
1 18 . 10 1 1 A 13 13 LYS C C 13 175.990 174.899 1.091 1
1 19 . 10 1 1 A 13 13 LYS CA C 13 56.222 58.361 -2.139 1
1 20 . 10 1 1 A 13 13 LYS CB C 13 33.223 31.223 2.000 1
1 24 . 10 1 1 A 13 13 LYS N N 13 123.900 115.864 8.036 1
1 25 . 10 1 1 A 14 14 ASP H H 14 8.625 8.521 0.104 1
1 26 . 10 1 1 A 14 14 ASP HA H 14 4.902 5.125 -0.223 1
1 29 . 10 1 1 A 14 14 ASP CA C 14 51.958 51.354 0.604 1
1 30 . 10 1 1 A 14 14 ASP CB C 14 41.422 41.166 0.256 1
1 31 . 10 1 1 A 14 14 ASP N N 14 124.861 121.495 3.366 1
1 32 . 10 1 1 A 15 15 PRO HA H 15 4.442 4.644 -0.202 1
1 39 . 10 1 1 A 15 15 PRO C C 15 176.634 175.904 0.730 1
1 40 . 10 1 1 A 15 15 PRO CA C 15 63.606 62.408 1.198 1
1 41 . 10 1 1 A 15 15 PRO CB C 15 32.323 33.143 -0.820 1
1 44 . 10 1 1 A 16 16 ASN H H 16 8.414 8.456 -0.042 1
1 45 . 10 1 1 A 16 16 ASN HA H 16 4.683 5.230 -0.547 1
1 50 . 10 1 1 A 16 16 ASN C C 16 174.365 174.628 -0.263 1
1 51 . 10 1 1 A 16 16 ASN CA C 16 52.946 51.752 1.194 1
1 52 . 10 1 1 A 16 16 ASN CB C 16 39.266 41.672 -2.406 1
1 53 . 10 1 1 A 16 16 ASN N N 16 116.873 115.558 1.315 1
1 55 . 10 1 1 A 17 17 GLU H H 17 7.712 8.303 -0.591 1
1 56 . 10 1 1 A 17 17 GLU HA H 17 3.233 3.596 -0.363 1
1 61 . 10 1 1 A 17 17 GLU C C 17 174.415 174.920 -0.505 1
1 62 . 10 1 1 A 17 17 GLU CA C 17 54.423 56.885 -2.462 1
1 63 . 10 1 1 A 17 17 GLU CB C 17 29.911 28.727 1.184 1
1 65 . 10 1 1 A 17 17 GLU N N 17 122.673 119.005 3.668 1
1 66 . 10 1 1 A 18 18 PRO HA H 18 4.384 4.550 -0.166 1
1 73 . 10 1 1 A 18 18 PRO CA C 18 62.896 62.765 0.131 1
1 74 . 10 1 1 A 18 18 PRO CB C 18 31.963 32.393 -0.430 1
1 77 . 10 1 1 A 19 19 GLN H H 19 8.654 8.442 0.212 1
1 78 . 10 1 1 A 19 19 GLN HA H 19 4.293 4.615 -0.322 1
1 85 . 10 1 1 A 19 19 GLN C C 19 175.384 174.725 0.659 1
1 86 . 10 1 1 A 19 19 GLN CA C 19 55.057 54.800 0.257 1
1 87 . 10 1 1 A 19 19 GLN CB C 19 29.793 30.175 -0.382 1
1 89 . 10 1 1 A 19 19 GLN N N 19 122.106 120.977 1.129 1
1 91 . 10 1 1 A 20 20 LYS H H 20 8.383 8.276 0.107 1
1 92 . 10 1 1 A 20 20 LYS HA H 20 3.393 2.418 0.975 1
1 101 . 10 1 1 A 20 20 LYS C C 20 174.706 174.729 -0.023 1
1 102 . 10 1 1 A 20 20 LYS CA C 20 54.951 54.243 0.708 1
1 103 . 10 1 1 A 20 20 LYS CB C 20 31.802 32.688 -0.886 1
1 107 . 10 1 1 A 20 20 LYS N N 20 124.861 126.292 -1.431 1
1 108 . 10 1 1 A 21 21 PRO HA H 21 4.500 4.441 0.059 1
1 115 . 10 1 1 A 21 21 PRO C C 21 176.741 176.504 0.237 1
1 116 . 10 1 1 A 21 21 PRO CA C 21 62.396 62.580 -0.184 1
1 117 . 10 1 1 A 21 21 PRO CB C 21 32.392 31.904 0.488 1
1 120 . 10 1 1 A 22 22 VAL H H 22 7.850 8.144 -0.294 1
1 121 . 10 1 1 A 22 22 VAL HA H 22 4.303 4.265 0.038 1
1 129 . 10 1 1 A 22 22 VAL C C 22 175.615 175.671 -0.056 1
1 130 . 10 1 1 A 22 22 VAL CA C 22 60.967 60.367 0.600 1
1 131 . 10 1 1 A 22 22 VAL CB C 22 32.342 33.123 -0.781 1
1 134 . 10 1 1 A 22 22 VAL N N 22 115.924 117.539 -1.615 1
1 135 . 10 1 1 A 23 23 SER H H 23 8.125 8.378 -0.253 1
1 136 . 10 1 1 A 23 23 SER HA H 23 4.433 4.445 -0.012 1
1 139 . 10 1 1 A 23 23 SER C C 23 173.516 175.756 -2.240 1
1 140 . 10 1 1 A 23 23 SER CA C 23 57.590 58.838 -1.248 1
1 141 . 10 1 1 A 23 23 SER CB C 23 65.578 64.137 1.441 1
1 142 . 10 1 1 A 23 23 SER N N 23 116.922 119.142 -2.220 1
1 143 . 10 1 1 A 24 24 ALA H H 24 8.707 8.848 -0.141 1
1 144 . 10 1 1 A 24 24 ALA HA H 24 4.046 4.319 -0.273 1
1 148 . 10 1 1 A 24 24 ALA C C 24 178.727 179.065 -0.338 1
1 149 . 10 1 1 A 24 24 ALA CA C 24 55.971 55.090 0.881 1
1 150 . 10 1 1 A 24 24 ALA CB C 24 18.505 18.783 -0.278 1
1 151 . 10 1 1 A 24 24 ALA N N 24 123.025 124.770 -1.745 1
1 152 . 10 1 1 A 25 25 TYR H H 25 8.119 8.165 -0.046 1
1 153 . 10 1 1 A 25 25 TYR HA H 25 2.678 2.596 0.082 1
1 160 . 10 1 1 A 25 25 TYR C C 25 176.253 177.697 -1.444 1
1 161 . 10 1 1 A 25 25 TYR CA C 25 60.281 60.898 -0.617 1
1 162 . 10 1 1 A 25 25 TYR CB C 25 37.951 38.018 -0.067 1
1 167 . 10 1 1 A 25 25 TYR N N 25 115.954 119.366 -3.412 1
1 168 . 10 1 1 A 26 26 ALA H H 26 7.742 7.917 -0.175 1
1 169 . 10 1 1 A 26 26 ALA HA H 26 3.758 3.623 0.135 1
1 173 . 10 1 1 A 26 26 ALA C C 26 181.489 179.469 2.020 1
1 174 . 10 1 1 A 26 26 ALA CA C 26 54.859 54.659 0.200 1
1 175 . 10 1 1 A 26 26 ALA CB C 26 18.029 17.937 0.092 1
1 176 . 10 1 1 A 26 26 ALA N N 26 121.384 121.302 0.082 1
1 177 . 10 1 1 A 27 27 LEU H H 27 7.991 7.982 0.009 1
1 178 . 10 1 1 A 27 27 LEU HA H 27 4.023 3.971 0.052 1
1 188 . 10 1 1 A 27 27 LEU C C 27 178.625 177.740 0.885 1
1 189 . 10 1 1 A 27 27 LEU CA C 27 57.876 57.700 0.176 1
1 190 . 10 1 1 A 27 27 LEU CB C 27 42.103 41.617 0.486 1
1 194 . 10 1 1 A 27 27 LEU N N 27 120.626 118.782 1.844 1
1 195 . 10 1 1 A 28 28 PHE H H 28 7.706 7.306 0.400 1
1 196 . 10 1 1 A 28 28 PHE HA H 28 3.653 3.983 -0.330 1
1 204 . 10 1 1 A 28 28 PHE C C 28 178.640 177.432 1.208 1
1 205 . 10 1 1 A 28 28 PHE CA C 28 61.653 59.343 2.310 1
1 206 . 10 1 1 A 28 28 PHE CB C 28 39.060 39.672 -0.612 1
1 212 . 10 1 1 A 28 28 PHE N N 28 122.656 119.399 3.257 1
1 213 . 10 1 1 A 29 29 PHE H H 29 9.246 8.289 0.957 1
1 214 . 10 1 1 A 29 29 PHE HA H 29 3.483 3.838 -0.355 1
1 222 . 10 1 1 A 29 29 PHE C C 29 177.478 177.616 -0.138 1
1 223 . 10 1 1 A 29 29 PHE CA C 29 61.126 60.621 0.505 1
1 224 . 10 1 1 A 29 29 PHE CB C 29 38.837 38.620 0.217 1
1 230 . 10 1 1 A 29 29 PHE N N 29 123.986 119.449 4.537 1
1 231 . 10 1 1 A 30 30 ARG H H 30 8.044 8.094 -0.050 1
1 232 . 10 1 1 A 30 30 ARG HA H 30 4.046 4.100 -0.054 1
1 239 . 10 1 1 A 30 30 ARG C C 30 179.156 177.504 1.652 1
1 240 . 10 1 1 A 30 30 ARG CA C 30 59.542 58.483 1.059 1
1 241 . 10 1 1 A 30 30 ARG CB C 30 30.053 29.848 0.205 1
1 244 . 10 1 1 A 30 30 ARG N N 30 119.141 118.375 0.766 1
1 245 . 10 1 1 A 31 31 ASP H H 31 7.712 7.858 -0.146 1
1 246 . 10 1 1 A 31 31 ASP HA H 31 4.523 4.409 0.114 1
1 249 . 10 1 1 A 31 31 ASP C C 31 177.850 177.118 0.732 1
1 250 . 10 1 1 A 31 31 ASP CA C 31 56.516 56.547 -0.031 1
1 251 . 10 1 1 A 31 31 ASP CB C 31 40.664 40.851 -0.187 1
1 252 . 10 1 1 A 31 31 ASP N N 31 118.527 119.661 -1.134 1
1 253 . 10 1 1 A 32 32 THR H H 32 7.704 6.963 0.741 1
1 254 . 10 1 1 A 32 32 THR HA H 32 3.953 3.949 0.004 1
1 259 . 10 1 1 A 32 32 THR C C 32 175.637 175.677 -0.040 1
1 260 . 10 1 1 A 32 32 THR CA C 32 65.030 65.018 0.012 1
1 261 . 10 1 1 A 32 32 THR CB C 32 69.195 68.678 0.517 1
1 263 . 10 1 1 A 32 32 THR N N 32 115.935 114.181 1.754 1
1 264 . 10 1 1 A 33 33 GLN H H 33 8.361 7.992 0.369 1
1 265 . 10 1 1 A 33 33 GLN HA H 33 3.373 3.558 -0.185 1
1 272 . 10 1 1 A 33 33 GLN C C 33 176.526 177.701 -1.175 1
1 273 . 10 1 1 A 33 33 GLN CA C 33 60.000 58.800 1.200 1
1 274 . 10 1 1 A 33 33 GLN CB C 33 26.827 28.019 -1.192 1
1 276 . 10 1 1 A 33 33 GLN N N 33 120.539 119.468 1.071 1
1 278 . 10 1 1 A 34 34 ALA H H 34 8.053 7.937 0.116 1
1 279 . 10 1 1 A 34 34 ALA HA H 34 3.964 3.912 0.052 1
1 283 . 10 1 1 A 34 34 ALA C C 34 180.762 179.909 0.853 1
1 284 . 10 1 1 A 34 34 ALA CA C 34 55.338 54.956 0.382 1
1 285 . 10 1 1 A 34 34 ALA CB C 34 17.724 18.478 -0.754 1
1 286 . 10 1 1 A 34 34 ALA N N 34 120.505 120.489 0.016 1
1 287 . 10 1 1 A 35 35 ALA H H 35 7.763 8.126 -0.363 1
1 288 . 10 1 1 A 35 35 ALA HA H 35 4.135 4.110 0.025 1
1 292 . 10 1 1 A 35 35 ALA C C 35 180.801 180.170 0.631 1
1 293 . 10 1 1 A 35 35 ALA CA C 35 54.635 55.018 -0.383 1
1 294 . 10 1 1 A 35 35 ALA CB C 35 17.888 18.304 -0.416 1
1 295 . 10 1 1 A 35 35 ALA N N 35 122.109 119.825 2.284 1
1 296 . 10 1 1 A 36 36 ILE H H 36 7.673 7.795 -0.122 1
1 297 . 10 1 1 A 36 36 ILE HA H 36 3.753 3.621 0.132 1
1 307 . 10 1 1 A 36 36 ILE C C 36 179.213 177.827 1.386 1
1 308 . 10 1 1 A 36 36 ILE CA C 36 62.955 64.795 -1.840 1
1 309 . 10 1 1 A 36 36 ILE CB C 36 36.388 37.506 -1.118 1
1 313 . 10 1 1 A 36 36 ILE N N 36 118.252 118.414 -0.162 1
1 314 . 10 1 1 A 37 37 LYS H H 37 8.444 8.447 -0.003 1
1 315 . 10 1 1 A 37 37 LYS HA H 37 3.982 3.897 0.085 1
1 324 . 10 1 1 A 37 37 LYS C C 37 178.872 179.350 -0.478 1
1 325 . 10 1 1 A 37 37 LYS CA C 37 58.715 59.976 -1.261 1
1 326 . 10 1 1 A 37 37 LYS CB C 37 31.802 31.967 -0.165 1
1 330 . 10 1 1 A 37 37 LYS N N 37 121.415 119.874 1.541 1
1 331 . 10 1 1 A 38 38 GLY H H 38 7.873 8.598 -0.725 1
1 332 . 10 1 1 A 38 38 GLY HA2 H 38 3.849 3.745 0.104 1
1 333 . 10 1 1 A 38 38 GLY HA3 H 38 3.849 3.747 0.102 1
1 334 . 10 1 1 A 38 38 GLY C C 38 175.341 176.363 -1.022 1
1 335 . 10 1 1 A 38 38 GLY CA C 38 46.490 47.351 -0.861 1
1 336 . 10 1 1 A 38 38 GLY N N 38 104.723 107.193 -2.470 1
1 337 . 10 1 1 A 39 39 GLN H H 39 7.288 7.395 -0.107 1
1 338 . 10 1 1 A 39 39 GLN HA H 39 4.313 4.190 0.123 1
1 345 . 10 1 1 A 39 39 GLN C C 39 175.814 176.060 -0.246 1
1 346 . 10 1 1 A 39 39 GLN CA C 39 56.482 57.819 -1.337 1
1 347 . 10 1 1 A 39 39 GLN CB C 39 30.074 29.296 0.778 1
1 349 . 10 1 1 A 39 39 GLN N N 39 117.295 119.950 -2.655 1
1 351 . 10 1 1 A 40 40 ASN H H 40 7.780 8.147 -0.367 1
1 352 . 10 1 1 A 40 40 ASN HA H 40 5.159 5.162 -0.003 1
1 357 . 10 1 1 A 40 40 ASN C C 40 172.428 173.330 -0.902 1
1 358 . 10 1 1 A 40 40 ASN CA C 40 50.877 50.341 0.536 1
1 359 . 10 1 1 A 40 40 ASN CB C 40 39.595 38.843 0.752 1
1 360 . 10 1 1 A 40 40 ASN N N 40 115.989 117.192 -1.203 1
1 362 . 10 1 1 A 41 41 PRO HA H 41 4.523 4.344 0.179 1
1 369 . 10 1 1 A 41 41 PRO C C 41 177.550 177.372 0.178 1
1 370 . 10 1 1 A 41 41 PRO CA C 41 64.837 64.252 0.585 1
1 371 . 10 1 1 A 41 41 PRO CB C 41 32.073 31.799 0.274 1
1 374 . 10 1 1 A 42 42 ASN H H 42 8.363 8.620 -0.257 1
1 375 . 10 1 1 A 42 42 ASN HA H 42 4.853 4.521 0.332 1
1 380 . 10 1 1 A 42 42 ASN C C 42 175.387 176.377 -0.990 1
1 381 . 10 1 1 A 42 42 ASN CA C 42 52.753 55.078 -2.325 1
1 382 . 10 1 1 A 42 42 ASN CB C 42 38.879 38.656 0.223 1
1 383 . 10 1 1 A 42 42 ASN N N 42 114.677 116.085 -1.408 1
1 385 . 10 1 1 A 43 43 ALA H H 43 7.533 7.249 0.284 1
1 386 . 10 1 1 A 43 43 ALA HA H 43 4.443 4.335 0.108 1
1 390 . 10 1 1 A 43 43 ALA C C 43 178.490 177.390 1.100 1
1 391 . 10 1 1 A 43 43 ALA CA C 43 52.647 52.313 0.334 1
1 392 . 10 1 1 A 43 43 ALA CB C 43 19.314 19.424 -0.110 1
1 393 . 10 1 1 A 43 43 ALA N N 43 124.307 121.585 2.722 1
1 394 . 10 1 1 A 44 44 THR H H 44 8.698 8.590 0.108 1
1 395 . 10 1 1 A 44 44 THR HA H 44 4.482 4.765 -0.283 1
1 400 . 10 1 1 A 44 44 THR C C 44 175.408 175.644 -0.236 1
1 401 . 10 1 1 A 44 44 THR CA C 44 60.791 60.903 -0.112 1
1 402 . 10 1 1 A 44 44 THR CB C 44 71.516 70.980 0.536 1
1 404 . 10 1 1 A 44 44 THR N N 44 114.309 113.569 0.740 1
1 405 . 10 1 1 A 45 45 PHE HA H 45 4.303 4.169 0.134 1
1 410 . 10 1 1 A 45 45 PHE CA C 45 61.982 60.986 0.996 1
1 411 . 10 1 1 A 45 45 PHE CB C 45 38.942 39.653 -0.711 1
1 414 . 10 1 1 A 46 46 GLY HA2 H 46 3.962 3.739 0.223 1
1 415 . 10 1 1 A 46 46 GLY HA3 H 46 3.745 3.777 -0.032 1
1 416 . 10 1 1 A 46 46 GLY C C 46 176.621 176.270 0.351 1
1 417 . 10 1 1 A 46 46 GLY CA C 46 46.930 47.366 -0.436 1
1 418 . 10 1 1 A 47 47 GLU H H 47 7.692 8.427 -0.735 1
1 419 . 10 1 1 A 47 47 GLU HA H 47 4.053 4.107 -0.054 1
1 424 . 10 1 1 A 47 47 GLU C C 47 179.472 178.919 0.553 1
1 425 . 10 1 1 A 47 47 GLU CA C 47 59.296 59.259 0.037 1
1 426 . 10 1 1 A 47 47 GLU CB C 47 29.769 29.612 0.157 1
1 428 . 10 1 1 A 47 47 GLU N N 47 123.040 121.813 1.227 1
1 429 . 10 1 1 A 48 48 VAL H H 48 8.504 7.905 0.599 1
1 430 . 10 1 1 A 48 48 VAL HA H 48 3.413 3.600 -0.187 1
1 438 . 10 1 1 A 48 48 VAL C C 48 177.640 178.189 -0.549 1
1 439 . 10 1 1 A 48 48 VAL CA C 48 67.159 66.206 0.953 1
1 440 . 10 1 1 A 48 48 VAL CB C 48 31.820 31.503 0.317 1
1 443 . 10 1 1 A 48 48 VAL N N 48 120.194 120.768 -0.574 1
1 444 . 10 1 1 A 49 49 SER H H 49 8.442 8.080 0.362 1
1 445 . 10 1 1 A 49 49 SER HA H 49 4.093 4.435 -0.342 1
1 448 . 10 1 1 A 49 49 SER C C 49 176.016 176.768 -0.752 1
1 449 . 10 1 1 A 49 49 SER CA C 49 62.500 61.478 1.022 1
1 450 . 10 1 1 A 49 49 SER CB C 49 62.653 63.329 -0.676 1
1 451 . 10 1 1 A 49 49 SER N N 49 113.484 114.445 -0.961 1
1 452 . 10 1 1 A 50 50 LYS H H 50 7.474 8.045 -0.571 1
1 453 . 10 1 1 A 50 50 LYS HA H 50 4.132 4.108 0.024 1
1 462 . 10 1 1 A 50 50 LYS C C 50 179.463 178.707 0.756 1
1 463 . 10 1 1 A 50 50 LYS CA C 50 59.525 59.103 0.422 1
1 464 . 10 1 1 A 50 50 LYS CB C 50 32.606 32.343 0.263 1
1 468 . 10 1 1 A 50 50 LYS N N 50 120.865 121.435 -0.570 1
1 469 . 10 1 1 A 51 51 ILE H H 51 7.853 7.603 0.250 1
1 470 . 10 1 1 A 51 51 ILE HA H 51 3.793 3.858 -0.065 1
1 480 . 10 1 1 A 51 51 ILE C C 51 179.105 178.181 0.924 1
1 481 . 10 1 1 A 51 51 ILE CA C 51 65.488 64.784 0.704 1
1 482 . 10 1 1 A 51 51 ILE CB C 51 38.603 38.103 0.500 1
1 486 . 10 1 1 A 51 51 ILE N N 51 121.720 119.648 2.072 1
1 487 . 10 1 1 A 52 52 VAL H H 52 8.703 7.921 0.782 1
1 488 . 10 1 1 A 52 52 VAL HA H 52 3.659 3.715 -0.056 1
1 496 . 10 1 1 A 52 52 VAL C C 52 178.262 178.141 0.121 1
1 497 . 10 1 1 A 52 52 VAL CA C 52 67.388 66.778 0.610 1
1 498 . 10 1 1 A 52 52 VAL CB C 52 31.185 31.533 -0.348 1
1 501 . 10 1 1 A 52 52 VAL N N 52 121.006 119.890 1.116 1
1 502 . 10 1 1 A 53 53 ALA H H 53 8.343 8.584 -0.241 1
1 503 . 10 1 1 A 53 53 ALA HA H 53 4.412 4.200 0.212 1
1 507 . 10 1 1 A 53 53 ALA C C 53 180.884 179.746 1.138 1
1 508 . 10 1 1 A 53 53 ALA CA C 53 56.271 55.571 0.700 1
1 509 . 10 1 1 A 53 53 ALA CB C 53 17.888 18.562 -0.674 1
1 510 . 10 1 1 A 53 53 ALA N N 53 122.645 122.510 0.135 1
1 511 . 10 1 1 A 54 54 SER H H 54 7.905 7.823 0.082 1
1 512 . 10 1 1 A 54 54 SER HA H 54 4.415 4.275 0.140 1
1 515 . 10 1 1 A 54 54 SER C C 54 177.818 176.993 0.825 1
1 516 . 10 1 1 A 54 54 SER CA C 54 61.635 61.941 -0.306 1
1 517 . 10 1 1 A 54 54 SER CB C 54 62.947 63.190 -0.243 1
1 518 . 10 1 1 A 54 54 SER N N 54 114.062 114.479 -0.417 1
1 519 . 10 1 1 A 55 55 MET H H 55 8.553 8.643 -0.090 1
1 520 . 10 1 1 A 55 55 MET HA H 55 4.194 4.147 0.047 1
1 528 . 10 1 1 A 55 55 MET C C 55 179.156 178.676 0.480 1
1 529 . 10 1 1 A 55 55 MET CA C 55 59.190 59.032 0.158 1
1 530 . 10 1 1 A 55 55 MET CB C 55 33.551 33.506 0.045 1
1 533 . 10 1 1 A 55 55 MET N N 55 123.394 119.851 3.543 1
1 534 . 10 1 1 A 56 56 TRP H H 56 8.864 8.842 0.022 1
1 535 . 10 1 1 A 56 56 TRP HA H 56 3.899 4.025 -0.126 1
1 544 . 10 1 1 A 56 56 TRP C C 56 178.213 178.377 -0.164 1
1 545 . 10 1 1 A 56 56 TRP CA C 56 59.806 60.929 -1.123 1
1 546 . 10 1 1 A 56 56 TRP CB C 56 30.281 29.762 0.519 1
1 552 . 10 1 1 A 56 56 TRP N N 56 121.428 122.548 -1.120 1
1 554 . 10 1 1 A 57 57 ASP H H 57 8.061 8.372 -0.311 1
1 555 . 10 1 1 A 57 57 ASP HA H 57 4.253 4.416 -0.163 1
1 558 . 10 1 1 A 57 57 ASP C C 57 178.103 177.658 0.445 1
1 559 . 10 1 1 A 57 57 ASP CA C 57 57.186 56.744 0.442 1
1 560 . 10 1 1 A 57 57 ASP CB C 57 40.705 40.431 0.274 1
1 561 . 10 1 1 A 57 57 ASP N N 57 117.661 118.555 -0.894 1
1 562 . 10 1 1 A 58 58 GLY H H 58 7.481 7.693 -0.212 1
1 563 . 10 1 1 A 58 58 GLY HA2 H 58 4.202 3.954 0.248 1
1 564 . 10 1 1 A 58 58 GLY HA3 H 58 3.672 3.987 -0.315 1
1 565 . 10 1 1 A 58 58 GLY C C 58 174.062 173.647 0.415 1
1 566 . 10 1 1 A 58 58 GLY CA C 58 44.872 45.304 -0.432 1
1 567 . 10 1 1 A 58 58 GLY N N 58 103.794 106.029 -2.235 1
1 568 . 10 1 1 A 59 59 LEU H H 59 7.153 7.476 -0.323 1
1 569 . 10 1 1 A 59 59 LEU HA H 59 4.123 4.204 -0.081 1
1 579 . 10 1 1 A 59 59 LEU C C 59 177.880 177.103 0.777 1
1 580 . 10 1 1 A 59 59 LEU CA C 59 55.114 54.408 0.706 1
1 581 . 10 1 1 A 59 59 LEU CB C 59 43.149 42.560 0.589 1
1 585 . 10 1 1 A 59 59 LEU N N 59 123.874 121.735 2.139 1
1 586 . 10 1 1 A 60 60 GLY H H 60 8.523 8.302 0.221 1
1 587 . 10 1 1 A 60 60 GLY HA2 H 60 4.091 3.994 0.097 1
1 588 . 10 1 1 A 60 60 GLY HA3 H 60 3.993 4.002 -0.009 1
1 589 . 10 1 1 A 60 60 GLY C C 60 174.634 174.701 -0.067 1
1 590 . 10 1 1 A 60 60 GLY CA C 60 44.995 45.092 -0.097 1
1 591 . 10 1 1 A 60 60 GLY N N 60 110.475 108.566 1.909 1
1 592 . 10 1 1 A 61 61 GLU H H 61 8.743 8.838 -0.095 1
1 593 . 10 1 1 A 61 61 GLU HA H 61 3.873 3.819 0.054 1
1 598 . 10 1 1 A 61 61 GLU C C 61 178.841 178.238 0.603 1
1 599 . 10 1 1 A 61 61 GLU CA C 61 59.577 59.525 0.052 1
1 600 . 10 1 1 A 61 61 GLU CB C 61 29.299 29.267 0.032 1
1 602 . 10 1 1 A 61 61 GLU N N 61 122.609 121.371 1.238 1
1 603 . 10 1 1 A 62 62 GLU H H 62 9.063 7.941 1.122 1
1 604 . 10 1 1 A 62 62 GLU HA H 62 4.033 4.421 -0.388 1
1 609 . 10 1 1 A 62 62 GLU C C 62 179.086 178.626 0.460 1
1 610 . 10 1 1 A 62 62 GLU CA C 62 59.841 59.076 0.765 1
1 611 . 10 1 1 A 62 62 GLU CB C 62 28.660 29.363 -0.703 1
1 613 . 10 1 1 A 62 62 GLU N N 62 118.089 119.417 -1.328 1
1 614 . 10 1 1 A 63 63 GLN H H 63 7.563 7.754 -0.191 1
1 615 . 10 1 1 A 63 63 GLN HA H 63 4.282 3.970 0.312 1
1 622 . 10 1 1 A 63 63 GLN C C 63 179.406 178.834 0.572 1
1 623 . 10 1 1 A 63 63 GLN CA C 63 59.050 58.150 0.900 1
1 624 . 10 1 1 A 63 63 GLN CB C 63 29.089 28.397 0.692 1
1 626 . 10 1 1 A 63 63 GLN N N 63 118.216 118.918 -0.702 1
1 628 . 10 1 1 A 64 64 LYS H H 64 8.193 8.119 0.074 1
1 629 . 10 1 1 A 64 64 LYS HA H 64 3.933 3.889 0.044 1
1 638 . 10 1 1 A 64 64 LYS C C 64 179.858 179.157 0.701 1
1 639 . 10 1 1 A 64 64 LYS CA C 64 60.774 59.173 1.601 1
1 640 . 10 1 1 A 64 64 LYS CB C 64 33.100 32.158 0.942 1
1 644 . 10 1 1 A 64 64 LYS N N 64 119.928 120.399 -0.471 1
1 645 . 10 1 1 A 65 65 GLN H H 65 8.459 8.091 0.368 1
1 646 . 10 1 1 A 65 65 GLN HA H 65 4.056 4.152 -0.096 1
1 653 . 10 1 1 A 65 65 GLN C C 65 177.751 178.129 -0.378 1
1 654 . 10 1 1 A 65 65 GLN CA C 65 58.891 58.672 0.219 1
1 655 . 10 1 1 A 65 65 GLN CB C 65 28.167 28.456 -0.289 1
1 657 . 10 1 1 A 65 65 GLN N N 65 117.874 118.174 -0.300 1
1 659 . 10 1 1 A 66 66 VAL H H 66 7.408 7.806 -0.398 1
1 660 . 10 1 1 A 66 66 VAL HA H 66 3.653 3.703 -0.050 1
1 668 . 10 1 1 A 66 66 VAL C C 66 178.900 177.492 1.408 1
1 669 . 10 1 1 A 66 66 VAL CA C 66 66.860 65.411 1.449 1
1 670 . 10 1 1 A 66 66 VAL CB C 66 31.784 31.398 0.386 1
1 673 . 10 1 1 A 66 66 VAL N N 66 119.348 120.217 -0.869 1
1 674 . 10 1 1 A 67 67 TYR H H 67 7.229 7.646 -0.417 1
1 675 . 10 1 1 A 67 67 TYR HA H 67 4.151 4.482 -0.331 1
1 682 . 10 1 1 A 67 67 TYR C C 67 178.776 178.496 0.280 1
1 683 . 10 1 1 A 67 67 TYR CA C 67 63.307 60.980 2.327 1
1 684 . 10 1 1 A 67 67 TYR CB C 67 39.308 38.394 0.914 1
1 689 . 10 1 1 A 67 67 TYR N N 67 117.638 120.965 -3.327 1
1 690 . 10 1 1 A 68 68 LYS H H 68 8.554 8.535 0.019 1
1 691 . 10 1 1 A 68 68 LYS HA H 68 4.195 4.309 -0.114 1
1 698 . 10 1 1 A 68 68 LYS C C 68 179.468 179.532 -0.064 1
1 699 . 10 1 1 A 68 68 LYS CA C 68 60.703 59.162 1.541 1
1 700 . 10 1 1 A 68 68 LYS CB C 68 32.154 32.561 -0.407 1
1 704 . 10 1 1 A 68 68 LYS N N 68 121.795 120.407 1.388 1
1 705 . 10 1 1 A 69 69 LYS H H 69 8.883 8.046 0.837 1
1 706 . 10 1 1 A 69 69 LYS HA H 69 4.171 4.031 0.140 1
1 715 . 10 1 1 A 69 69 LYS C C 69 180.214 179.460 0.754 1
1 716 . 10 1 1 A 69 69 LYS CA C 69 59.824 59.822 0.002 1
1 717 . 10 1 1 A 69 69 LYS CB C 69 32.072 32.152 -0.080 1
1 721 . 10 1 1 A 69 69 LYS N N 69 120.539 119.689 0.850 1
1 722 . 10 1 1 A 70 70 LYS H H 70 7.791 7.956 -0.165 1
1 723 . 10 1 1 A 70 70 LYS HA H 70 4.211 4.090 0.121 1
1 732 . 10 1 1 A 70 70 LYS C C 70 179.985 179.135 0.850 1
1 733 . 10 1 1 A 70 70 LYS CA C 70 60.017 59.382 0.635 1
1 734 . 10 1 1 A 70 70 LYS CB C 70 33.200 32.479 0.721 1
1 738 . 10 1 1 A 70 70 LYS N N 70 119.946 119.985 -0.039 1
1 739 . 10 1 1 A 71 71 THR H H 71 8.002 7.918 0.084 1
1 740 . 10 1 1 A 71 71 THR HA H 71 4.301 3.952 0.349 1
1 745 . 10 1 1 A 71 71 THR C C 71 176.462 176.682 -0.220 1
1 746 . 10 1 1 A 71 71 THR CA C 71 66.402 66.337 0.065 1
1 747 . 10 1 1 A 71 71 THR CB C 71 68.949 68.741 0.208 1
1 749 . 10 1 1 A 71 71 THR N N 71 116.183 114.686 1.497 1
1 750 . 10 1 1 A 72 72 GLU H H 72 8.295 7.723 0.572 1
1 751 . 10 1 1 A 72 72 GLU HA H 72 4.143 4.056 0.087 1
1 756 . 10 1 1 A 72 72 GLU C C 72 179.498 179.091 0.407 1
1 757 . 10 1 1 A 72 72 GLU CA C 72 59.665 59.253 0.412 1
1 758 . 10 1 1 A 72 72 GLU CB C 72 29.400 29.544 -0.144 1
1 760 . 10 1 1 A 72 72 GLU N N 72 123.438 119.520 3.918 1
1 761 . 10 1 1 A 73 73 ALA H H 73 8.063 8.127 -0.064 1
1 762 . 10 1 1 A 73 73 ALA HA H 73 4.262 4.162 0.100 1
1 766 . 10 1 1 A 73 73 ALA C C 73 180.639 178.823 1.816 1
1 767 . 10 1 1 A 73 73 ALA CA C 73 55.268 54.482 0.786 1
1 768 . 10 1 1 A 73 73 ALA CB C 73 17.824 17.989 -0.165 1
1 769 . 10 1 1 A 73 73 ALA N N 73 122.231 123.047 -0.816 1
1 770 . 10 1 1 A 74 74 ALA H H 74 8.093 8.050 0.043 1
1 771 . 10 1 1 A 74 74 ALA HA H 74 4.320 4.284 0.036 1
1 775 . 10 1 1 A 74 74 ALA C C 74 181.394 179.640 1.754 1
1 776 . 10 1 1 A 74 74 ALA CA C 74 54.904 53.850 1.054 1
1 777 . 10 1 1 A 74 74 ALA CB C 74 18.313 19.284 -0.971 1
1 778 . 10 1 1 A 74 74 ALA N N 74 121.882 119.280 2.602 1
1 779 . 10 1 1 A 75 75 LYS H H 75 8.661 7.811 0.850 1
1 780 . 10 1 1 A 75 75 LYS HA H 75 4.053 4.172 -0.119 1
1 786 . 10 1 1 A 75 75 LYS C C 75 178.096 178.767 -0.671 1
1 787 . 10 1 1 A 75 75 LYS CA C 75 60.510 59.438 1.072 1
1 788 . 10 1 1 A 75 75 LYS CB C 75 32.236 32.342 -0.106 1
1 792 . 10 1 1 A 75 75 LYS N N 75 121.652 118.156 3.496 1
1 793 . 10 1 1 A 76 76 LYS H H 76 7.855 8.079 -0.224 1
1 794 . 10 1 1 A 76 76 LYS HA H 76 4.110 3.951 0.159 1
1 799 . 10 1 1 A 76 76 LYS C C 76 179.822 179.603 0.219 1
1 800 . 10 1 1 A 76 76 LYS CA C 76 59.993 60.053 -0.060 1
1 801 . 10 1 1 A 76 76 LYS CB C 76 32.401 32.246 0.155 1
1 805 . 10 1 1 A 76 76 LYS N N 76 119.219 117.993 1.226 1
1 806 . 10 1 1 A 77 77 GLU H H 77 7.880 8.311 -0.431 1
1 807 . 10 1 1 A 77 77 GLU HA H 77 4.233 4.106 0.127 1
1 812 . 10 1 1 A 77 77 GLU C C 77 178.358 178.509 -0.151 1
1 813 . 10 1 1 A 77 77 GLU CA C 77 58.980 59.508 -0.528 1
1 814 . 10 1 1 A 77 77 GLU CB C 77 29.235 29.197 0.038 1
1 816 . 10 1 1 A 77 77 GLU N N 77 119.640 118.649 0.991 1
1 817 . 10 1 1 A 78 78 TYR H H 78 8.391 8.078 0.313 1
1 818 . 10 1 1 A 78 78 TYR HA H 78 4.413 4.101 0.312 1
1 825 . 10 1 1 A 78 78 TYR C C 78 176.737 177.355 -0.618 1
1 826 . 10 1 1 A 78 78 TYR CA C 78 60.809 61.311 -0.502 1
1 827 . 10 1 1 A 78 78 TYR CB C 78 38.239 38.608 -0.369 1
1 832 . 10 1 1 A 78 78 TYR N N 78 121.464 122.321 -0.857 1
1 833 . 10 1 1 A 79 79 LEU H H 79 8.203 8.239 -0.036 1
1 834 . 10 1 1 A 79 79 LEU HA H 79 3.764 3.473 0.291 1
1 844 . 10 1 1 A 79 79 LEU C C 79 180.728 178.883 1.845 1
1 845 . 10 1 1 A 79 79 LEU CA C 79 58.170 57.918 0.252 1
1 846 . 10 1 1 A 79 79 LEU CB C 79 41.445 41.582 -0.137 1
1 850 . 10 1 1 A 79 79 LEU N N 79 118.433 120.016 -1.583 1
1 851 . 10 1 1 A 80 80 LYS H H 80 7.523 7.705 -0.182 1
1 852 . 10 1 1 A 80 80 LYS HA H 80 4.134 3.858 0.276 1
1 861 . 10 1 1 A 80 80 LYS C C 80 179.804 179.690 0.114 1
1 862 . 10 1 1 A 80 80 LYS CA C 80 59.630 59.981 -0.351 1
1 863 . 10 1 1 A 80 80 LYS CB C 80 32.400 32.332 0.068 1
1 867 . 10 1 1 A 80 80 LYS N N 80 120.723 117.146 3.577 1
1 868 . 10 1 1 A 81 81 GLN H H 81 8.473 8.541 -0.068 1
1 869 . 10 1 1 A 81 81 GLN HA H 81 4.144 3.900 0.244 1
1 876 . 10 1 1 A 81 81 GLN C C 81 179.906 178.471 1.435 1
1 877 . 10 1 1 A 81 81 GLN CA C 81 58.628 59.148 -0.520 1
1 878 . 10 1 1 A 81 81 GLN CB C 81 28.273 28.074 0.199 1
1 880 . 10 1 1 A 81 81 GLN N N 81 120.899 119.120 1.779 1
1 882 . 10 1 1 A 82 82 LEU H H 82 9.233 8.025 1.208 1
1 883 . 10 1 1 A 82 82 LEU HA H 82 3.963 4.142 -0.179 1
1 893 . 10 1 1 A 82 82 LEU C C 82 178.293 178.091 0.202 1
1 894 . 10 1 1 A 82 82 LEU CA C 82 57.959 58.064 -0.105 1
1 895 . 10 1 1 A 82 82 LEU CB C 82 42.044 41.389 0.655 1
1 899 . 10 1 1 A 82 82 LEU N N 82 123.463 121.829 1.634 1
1 900 . 10 1 1 A 83 83 ALA H H 83 7.732 8.501 -0.769 1
1 901 . 10 1 1 A 83 83 ALA HA H 83 4.223 4.015 0.208 1
1 905 . 10 1 1 A 83 83 ALA C C 83 180.853 179.405 1.448 1
1 906 . 10 1 1 A 83 83 ALA CA C 83 54.944 54.642 0.302 1
1 907 . 10 1 1 A 83 83 ALA CB C 83 17.765 18.375 -0.610 1
1 908 . 10 1 1 A 83 83 ALA N N 83 120.956 120.134 0.822 1
1 909 . 10 1 1 A 84 84 ALA H H 84 7.716 7.568 0.148 1
1 910 . 10 1 1 A 84 84 ALA HA H 84 4.135 4.222 -0.087 1
1 914 . 10 1 1 A 84 84 ALA C C 84 180.256 178.994 1.262 1
1 915 . 10 1 1 A 84 84 ALA CA C 84 55.234 54.892 0.342 1
1 916 . 10 1 1 A 84 84 ALA CB C 84 17.806 18.990 -1.184 1
1 917 . 10 1 1 A 84 84 ALA N N 84 121.082 119.643 1.439 1
1 918 . 10 1 1 A 85 85 TYR H H 85 8.453 8.304 0.149 1
1 919 . 10 1 1 A 85 85 TYR HA H 85 4.310 3.990 0.320 1
1 926 . 10 1 1 A 85 85 TYR C C 85 178.538 177.606 0.932 1
1 927 . 10 1 1 A 85 85 TYR CA C 85 60.862 62.182 -1.320 1
1 928 . 10 1 1 A 85 85 TYR CB C 85 38.444 38.950 -0.506 1
1 933 . 10 1 1 A 85 85 TYR N N 85 121.359 120.052 1.307 1
1 934 . 10 1 1 A 86 86 ARG H H 86 8.734 7.814 0.920 1
1 935 . 10 1 1 A 86 86 ARG HA H 86 3.713 3.765 -0.052 1
1 942 . 10 1 1 A 86 86 ARG C C 86 178.962 178.726 0.236 1
1 943 . 10 1 1 A 86 86 ARG CA C 86 59.454 59.288 0.166 1
1 944 . 10 1 1 A 86 86 ARG CB C 86 29.605 30.346 -0.741 1
1 947 . 10 1 1 A 86 86 ARG N N 86 119.740 118.762 0.978 1
1 948 . 10 1 1 A 87 87 ALA H H 87 7.853 8.136 -0.283 1
1 949 . 10 1 1 A 87 87 ALA HA H 87 4.195 4.094 0.101 1
1 953 . 10 1 1 A 87 87 ALA C C 87 179.605 179.491 0.114 1
1 954 . 10 1 1 A 87 87 ALA CA C 87 54.353 54.716 -0.363 1
1 955 . 10 1 1 A 87 87 ALA CB C 87 17.971 18.467 -0.496 1
1 956 . 10 1 1 A 87 87 ALA N N 87 120.667 122.122 -1.455 1
1 957 . 10 1 1 A 88 88 SER H H 88 7.763 7.262 0.501 1
1 958 . 10 1 1 A 88 88 SER HA H 88 4.347 4.408 -0.061 1
1 961 . 10 1 1 A 88 88 SER C C 88 175.219 176.904 -1.685 1
1 962 . 10 1 1 A 88 88 SER CA C 88 60.158 61.718 -1.560 1
1 963 . 10 1 1 A 88 88 SER CB C 88 63.440 63.408 0.032 1
1 964 . 10 1 1 A 88 88 SER N N 88 114.332 114.707 -0.375 1
1 965 . 10 1 1 A 89 89 LEU H H 89 7.344 7.907 -0.563 1
1 966 . 10 1 1 A 89 89 LEU HA H 89 4.163 4.024 0.139 1
1 976 . 10 1 1 A 89 89 LEU C C 89 178.335 177.034 1.301 1
1 977 . 10 1 1 A 89 89 LEU CA C 89 56.059 57.575 -1.516 1
1 978 . 10 1 1 A 89 89 LEU CB C 89 42.062 41.720 0.342 1
1 982 . 10 1 1 A 89 89 LEU N N 89 121.862 119.593 2.269 1
1 983 . 10 1 1 A 90 90 VAL H H 90 7.533 7.678 -0.145 1
1 984 . 10 1 1 A 90 90 VAL HA H 90 4.063 4.028 0.035 1
1 992 . 10 1 1 A 90 90 VAL C C 90 176.743 176.089 0.654 1
1 993 . 10 1 1 A 90 90 VAL CA C 90 63.183 61.769 1.414 1
1 994 . 10 1 1 A 90 90 VAL CB C 90 32.318 33.255 -0.937 1
1 997 . 10 1 1 A 90 90 VAL N N 90 117.748 117.902 -0.154 1
1 998 . 10 1 1 A 91 91 SER H H 91 8.059 8.654 -0.595 1
1 999 . 10 1 1 A 91 91 SER HA H 91 4.415 4.411 0.004 1
1 1002 . 10 1 1 A 91 91 SER C C 91 174.854 175.392 -0.538 1
1 1003 . 10 1 1 A 91 91 SER CA C 91 58.861 61.608 -2.747 1
1 1004 . 10 1 1 A 91 91 SER CB C 91 63.810 63.448 0.362 1
1 1005 . 10 1 1 A 91 91 SER N N 91 117.663 117.048 0.615 1
1 1006 . 10 1 1 A 92 92 LYS H H 92 8.158 7.631 0.527 1
1 1007 . 10 1 1 A 92 92 LYS HA H 92 4.329 4.254 0.075 1
1 1010 . 10 1 1 A 92 92 LYS C C 92 176.528 175.540 0.988 1
1 1011 . 10 1 1 A 92 92 LYS CA C 92 56.551 56.837 -0.286 1
1 1012 . 10 1 1 A 92 92 LYS CB C 92 32.771 32.600 0.171 1
1 1016 . 10 1 1 A 92 92 LYS N N 92 122.827 120.963 1.864 1
1 1017 . 10 1 1 A 93 93 SER H H 93 8.186 8.513 -0.327 1
1 1018 . 10 1 1 A 93 93 SER HA H 93 4.444 5.207 -0.763 1
1 1021 . 10 1 1 A 93 93 SER C C 93 174.271 172.348 1.923 1
1 1022 . 10 1 1 A 93 93 SER CA C 93 58.504 56.223 2.281 1
1 1023 . 10 1 1 A 93 93 SER CB C 93 63.933 65.758 -1.825 1
1 1024 . 10 1 1 A 93 93 SER N N 93 116.068 121.612 -5.544 1
1 1025 . 10 1 1 A 94 94 TYR H H 94 8.146 8.617 -0.471 1
1 1026 . 10 1 1 A 94 94 TYR HA H 94 4.658 4.601 0.057 1
1 1033 . 10 1 1 A 94 94 TYR C C 94 176.011 176.100 -0.089 1
1 1034 . 10 1 1 A 94 94 TYR CA C 94 58.135 58.924 -0.789 1
1 1035 . 10 1 1 A 94 94 TYR CB C 94 38.855 39.182 -0.327 1
1 1040 . 10 1 1 A 94 94 TYR N N 94 122.150 125.693 -3.543 1
1 1041 . 10 1 1 A 95 95 THR H H 95 8.024 8.686 -0.662 1
1 1042 . 10 1 1 A 95 95 THR HA H 95 4.333 4.574 -0.241 1
1 1047 . 10 1 1 A 95 95 THR C C 95 174.054 173.105 0.949 1
1 1048 . 10 1 1 A 95 95 THR CA C 95 61.740 60.919 0.821 1
1 1049 . 10 1 1 A 95 95 THR CB C 95 69.977 71.127 -1.150 1
1 1051 . 10 1 1 A 95 95 THR N N 95 115.298 115.816 -0.518 1
1 1052 . 10 1 1 A 96 96 ASP H H 96 8.288 9.390 -1.102 1
1 1053 . 10 1 1 A 96 96 ASP HA H 96 4.663 4.553 0.110 1
1 1056 . 10 1 1 A 96 96 ASP C C 96 176.252 175.782 0.470 1
1 1057 . 10 1 1 A 96 96 ASP CA C 96 54.494 56.375 -1.881 1
1 1058 . 10 1 1 A 96 96 ASP CB C 96 41.404 40.076 1.328 1
1 1059 . 10 1 1 A 96 96 ASP N N 96 122.969 129.314 -6.345 1
1 1060 . 10 1 1 A 97 97 SER H H 97 8.272 9.017 -0.745 1
1 1061 . 10 1 1 A 97 97 SER HA H 97 4.500 4.280 0.220 1
1 1063 . 10 1 1 A 97 97 SER C C 97 174.845 173.770 1.075 1
1 1064 . 10 1 1 A 97 97 SER CA C 97 58.522 59.313 -0.791 1
1 1065 . 10 1 1 A 97 97 SER CB C 97 63.656 62.384 1.272 1
1 1066 . 10 1 1 A 97 97 SER N N 97 116.137 113.846 2.291 1
1 1067 . 10 1 1 A 98 98 GLY H H 98 8.289 8.407 -0.118 1
1 1068 . 10 1 1 A 98 98 GLY HA2 H 98 4.123 4.201 -0.078 1
1 1069 . 10 1 1 A 98 98 GLY HA3 H 98 4.123 4.204 -0.081 1
1 1070 . 10 1 1 A 98 98 GLY C C 98 171.920 172.458 -0.538 1
1 1071 . 10 1 1 A 98 98 GLY CA C 98 44.748 45.449 -0.701 1
1 1072 . 10 1 1 A 98 98 GLY N N 98 110.751 112.062 -1.311 1
1 1073 . 10 1 1 A 99 99 PRO HA H 99 4.490 4.787 -0.297 1
1 1080 . 10 1 1 A 99 99 PRO CA C 99 63.373 62.807 0.566 1
1 1081 . 10 1 1 A 99 99 PRO CB C 99 32.247 33.382 -1.135 1
1 1 . 11 1 1 A 12 12 LYS HA H 12 4.317 4.661 -0.344 1
1 6 . 11 1 1 A 12 12 LYS C C 12 176.329 175.490 0.839 1
1 7 . 11 1 1 A 12 12 LYS CA C 12 56.223 56.139 0.084 1
1 8 . 11 1 1 A 12 12 LYS CB C 12 33.117 34.451 -1.334 1
1 12 . 11 1 1 A 13 13 LYS H H 13 8.394 8.834 -0.440 1
1 13 . 11 1 1 A 13 13 LYS HA H 13 4.273 4.577 -0.304 1
1 18 . 11 1 1 A 13 13 LYS C C 13 175.990 175.766 0.224 1
1 19 . 11 1 1 A 13 13 LYS CA C 13 56.222 57.358 -1.136 1
1 20 . 11 1 1 A 13 13 LYS CB C 13 33.223 35.686 -2.463 1
1 24 . 11 1 1 A 13 13 LYS N N 13 123.900 124.377 -0.477 1
1 25 . 11 1 1 A 14 14 ASP H H 14 8.625 8.074 0.551 1
1 26 . 11 1 1 A 14 14 ASP HA H 14 4.902 4.971 -0.069 1
1 29 . 11 1 1 A 14 14 ASP CA C 14 51.958 51.751 0.207 1
1 30 . 11 1 1 A 14 14 ASP CB C 14 41.422 40.834 0.588 1
1 31 . 11 1 1 A 14 14 ASP N N 14 124.861 115.988 8.873 1
1 32 . 11 1 1 A 15 15 PRO HA H 15 4.442 4.250 0.192 1
1 39 . 11 1 1 A 15 15 PRO C C 15 176.634 177.672 -1.038 1
1 40 . 11 1 1 A 15 15 PRO CA C 15 63.606 65.137 -1.531 1
1 41 . 11 1 1 A 15 15 PRO CB C 15 32.323 31.670 0.653 1
1 44 . 11 1 1 A 16 16 ASN H H 16 8.414 8.027 0.387 1
1 45 . 11 1 1 A 16 16 ASN HA H 16 4.683 4.425 0.258 1
1 50 . 11 1 1 A 16 16 ASN C C 16 174.365 174.548 -0.183 1
1 51 . 11 1 1 A 16 16 ASN CA C 16 52.946 55.409 -2.463 1
1 52 . 11 1 1 A 16 16 ASN CB C 16 39.266 37.267 1.999 1
1 53 . 11 1 1 A 16 16 ASN N N 16 116.873 115.350 1.523 1
1 55 . 11 1 1 A 17 17 GLU H H 17 7.712 8.084 -0.372 1
1 56 . 11 1 1 A 17 17 GLU HA H 17 3.233 3.396 -0.163 1
1 61 . 11 1 1 A 17 17 GLU C C 17 174.415 175.235 -0.820 1
1 62 . 11 1 1 A 17 17 GLU CA C 17 54.423 54.812 -0.389 1
1 63 . 11 1 1 A 17 17 GLU CB C 17 29.911 30.192 -0.281 1
1 65 . 11 1 1 A 17 17 GLU N N 17 122.673 120.581 2.092 1
1 66 . 11 1 1 A 18 18 PRO HA H 18 4.384 4.565 -0.181 1
1 73 . 11 1 1 A 18 18 PRO CA C 18 62.896 62.507 0.389 1
1 74 . 11 1 1 A 18 18 PRO CB C 18 31.963 32.282 -0.319 1
1 77 . 11 1 1 A 19 19 GLN H H 19 8.654 8.606 0.048 1
1 78 . 11 1 1 A 19 19 GLN HA H 19 4.293 4.599 -0.306 1
1 85 . 11 1 1 A 19 19 GLN C C 19 175.384 174.527 0.857 1
1 86 . 11 1 1 A 19 19 GLN CA C 19 55.057 55.642 -0.585 1
1 87 . 11 1 1 A 19 19 GLN CB C 19 29.793 29.526 0.267 1
1 89 . 11 1 1 A 19 19 GLN N N 19 122.106 120.465 1.641 1
1 91 . 11 1 1 A 20 20 LYS H H 20 8.383 8.457 -0.074 1
1 92 . 11 1 1 A 20 20 LYS HA H 20 3.393 2.985 0.408 1
1 101 . 11 1 1 A 20 20 LYS C C 20 174.706 174.953 -0.247 1
1 102 . 11 1 1 A 20 20 LYS CA C 20 54.951 53.428 1.523 1
1 103 . 11 1 1 A 20 20 LYS CB C 20 31.802 32.162 -0.360 1
1 107 . 11 1 1 A 20 20 LYS N N 20 124.861 125.989 -1.128 1
1 108 . 11 1 1 A 21 21 PRO HA H 21 4.500 4.547 -0.047 1
1 115 . 11 1 1 A 21 21 PRO C C 21 176.741 176.290 0.451 1
1 116 . 11 1 1 A 21 21 PRO CA C 21 62.396 62.337 0.059 1
1 117 . 11 1 1 A 21 21 PRO CB C 21 32.392 32.378 0.014 1
1 120 . 11 1 1 A 22 22 VAL H H 22 7.850 8.192 -0.342 1
1 121 . 11 1 1 A 22 22 VAL HA H 22 4.303 4.670 -0.367 1
1 129 . 11 1 1 A 22 22 VAL C C 22 175.615 175.087 0.528 1
1 130 . 11 1 1 A 22 22 VAL CA C 22 60.967 59.231 1.736 1
1 131 . 11 1 1 A 22 22 VAL CB C 22 32.342 35.057 -2.715 1
1 134 . 11 1 1 A 22 22 VAL N N 22 115.924 115.595 0.329 1
1 135 . 11 1 1 A 23 23 SER H H 23 8.125 8.425 -0.300 1
1 136 . 11 1 1 A 23 23 SER HA H 23 4.433 4.429 0.004 1
1 139 . 11 1 1 A 23 23 SER C C 23 173.516 175.454 -1.938 1
1 140 . 11 1 1 A 23 23 SER CA C 23 57.590 59.037 -1.447 1
1 141 . 11 1 1 A 23 23 SER CB C 23 65.578 64.337 1.241 1
1 142 . 11 1 1 A 23 23 SER N N 23 116.922 118.864 -1.942 1
1 143 . 11 1 1 A 24 24 ALA H H 24 8.707 8.972 -0.265 1
1 144 . 11 1 1 A 24 24 ALA HA H 24 4.046 4.374 -0.328 1
1 148 . 11 1 1 A 24 24 ALA C C 24 178.727 179.386 -0.659 1
1 149 . 11 1 1 A 24 24 ALA CA C 24 55.971 55.209 0.762 1
1 150 . 11 1 1 A 24 24 ALA CB C 24 18.505 18.660 -0.155 1
1 151 . 11 1 1 A 24 24 ALA N N 24 123.025 127.254 -4.229 1
1 152 . 11 1 1 A 25 25 TYR H H 25 8.119 7.958 0.161 1
1 153 . 11 1 1 A 25 25 TYR HA H 25 2.678 2.717 -0.039 1
1 160 . 11 1 1 A 25 25 TYR C C 25 176.253 177.366 -1.113 1
1 161 . 11 1 1 A 25 25 TYR CA C 25 60.281 60.395 -0.114 1
1 162 . 11 1 1 A 25 25 TYR CB C 25 37.951 37.953 -0.002 1
1 167 . 11 1 1 A 25 25 TYR N N 25 115.954 119.246 -3.292 1
1 168 . 11 1 1 A 26 26 ALA H H 26 7.742 7.703 0.039 1
1 169 . 11 1 1 A 26 26 ALA HA H 26 3.758 3.709 0.049 1
1 173 . 11 1 1 A 26 26 ALA C C 26 181.489 179.522 1.967 1
1 174 . 11 1 1 A 26 26 ALA CA C 26 54.859 54.274 0.585 1
1 175 . 11 1 1 A 26 26 ALA CB C 26 18.029 18.526 -0.497 1
1 176 . 11 1 1 A 26 26 ALA N N 26 121.384 121.175 0.209 1
1 177 . 11 1 1 A 27 27 LEU H H 27 7.991 7.948 0.043 1
1 178 . 11 1 1 A 27 27 LEU HA H 27 4.023 3.971 0.052 1
1 188 . 11 1 1 A 27 27 LEU C C 27 178.625 178.043 0.582 1
1 189 . 11 1 1 A 27 27 LEU CA C 27 57.876 57.639 0.237 1
1 190 . 11 1 1 A 27 27 LEU CB C 27 42.103 41.398 0.705 1
1 194 . 11 1 1 A 27 27 LEU N N 27 120.626 118.821 1.805 1
1 195 . 11 1 1 A 28 28 PHE H H 28 7.706 7.835 -0.129 1
1 196 . 11 1 1 A 28 28 PHE HA H 28 3.653 3.971 -0.318 1
1 204 . 11 1 1 A 28 28 PHE C C 28 178.640 177.556 1.084 1
1 205 . 11 1 1 A 28 28 PHE CA C 28 61.653 59.447 2.206 1
1 206 . 11 1 1 A 28 28 PHE CB C 28 39.060 39.644 -0.584 1
1 212 . 11 1 1 A 28 28 PHE N N 28 122.656 119.482 3.174 1
1 213 . 11 1 1 A 29 29 PHE H H 29 9.246 8.048 1.198 1
1 214 . 11 1 1 A 29 29 PHE HA H 29 3.483 3.830 -0.347 1
1 222 . 11 1 1 A 29 29 PHE C C 29 177.478 177.480 -0.002 1
1 223 . 11 1 1 A 29 29 PHE CA C 29 61.126 60.459 0.667 1
1 224 . 11 1 1 A 29 29 PHE CB C 29 38.837 38.854 -0.017 1
1 230 . 11 1 1 A 29 29 PHE N N 29 123.986 119.328 4.658 1
1 231 . 11 1 1 A 30 30 ARG H H 30 8.044 7.964 0.080 1
1 232 . 11 1 1 A 30 30 ARG HA H 30 4.046 4.134 -0.088 1
1 239 . 11 1 1 A 30 30 ARG C C 30 179.156 177.426 1.730 1
1 240 . 11 1 1 A 30 30 ARG CA C 30 59.542 58.214 1.328 1
1 241 . 11 1 1 A 30 30 ARG CB C 30 30.053 30.160 -0.107 1
1 244 . 11 1 1 A 30 30 ARG N N 30 119.141 118.233 0.908 1
1 245 . 11 1 1 A 31 31 ASP H H 31 7.712 7.902 -0.190 1
1 246 . 11 1 1 A 31 31 ASP HA H 31 4.523 4.415 0.108 1
1 249 . 11 1 1 A 31 31 ASP C C 31 177.850 177.390 0.460 1
1 250 . 11 1 1 A 31 31 ASP CA C 31 56.516 56.613 -0.097 1
1 251 . 11 1 1 A 31 31 ASP CB C 31 40.664 40.663 0.001 1
1 252 . 11 1 1 A 31 31 ASP N N 31 118.527 119.928 -1.401 1
1 253 . 11 1 1 A 32 32 THR H H 32 7.704 7.007 0.697 1
1 254 . 11 1 1 A 32 32 THR HA H 32 3.953 4.001 -0.048 1
1 259 . 11 1 1 A 32 32 THR C C 32 175.637 175.724 -0.087 1
1 260 . 11 1 1 A 32 32 THR CA C 32 65.030 65.141 -0.111 1
1 261 . 11 1 1 A 32 32 THR CB C 32 69.195 68.837 0.358 1
1 263 . 11 1 1 A 32 32 THR N N 32 115.935 114.668 1.267 1
1 264 . 11 1 1 A 33 33 GLN H H 33 8.361 7.825 0.536 1
1 265 . 11 1 1 A 33 33 GLN HA H 33 3.373 3.594 -0.221 1
1 272 . 11 1 1 A 33 33 GLN C C 33 176.526 177.952 -1.426 1
1 273 . 11 1 1 A 33 33 GLN CA C 33 60.000 58.853 1.147 1
1 274 . 11 1 1 A 33 33 GLN CB C 33 26.827 28.125 -1.298 1
1 276 . 11 1 1 A 33 33 GLN N N 33 120.539 119.606 0.933 1
1 278 . 11 1 1 A 34 34 ALA H H 34 8.053 7.971 0.082 1
1 279 . 11 1 1 A 34 34 ALA HA H 34 3.964 3.952 0.012 1
1 283 . 11 1 1 A 34 34 ALA C C 34 180.762 179.909 0.853 1
1 284 . 11 1 1 A 34 34 ALA CA C 34 55.338 55.005 0.333 1
1 285 . 11 1 1 A 34 34 ALA CB C 34 17.724 18.470 -0.746 1
1 286 . 11 1 1 A 34 34 ALA N N 34 120.505 120.471 0.034 1
1 287 . 11 1 1 A 35 35 ALA H H 35 7.763 8.080 -0.317 1
1 288 . 11 1 1 A 35 35 ALA HA H 35 4.135 4.072 0.063 1
1 292 . 11 1 1 A 35 35 ALA C C 35 180.801 180.024 0.777 1
1 293 . 11 1 1 A 35 35 ALA CA C 35 54.635 55.268 -0.633 1
1 294 . 11 1 1 A 35 35 ALA CB C 35 17.888 17.966 -0.078 1
1 295 . 11 1 1 A 35 35 ALA N N 35 122.109 120.233 1.876 1
1 296 . 11 1 1 A 36 36 ILE H H 36 7.673 7.845 -0.172 1
1 297 . 11 1 1 A 36 36 ILE HA H 36 3.753 3.570 0.183 1
1 307 . 11 1 1 A 36 36 ILE C C 36 179.213 177.827 1.386 1
1 308 . 11 1 1 A 36 36 ILE CA C 36 62.955 64.925 -1.970 1
1 309 . 11 1 1 A 36 36 ILE CB C 36 36.388 37.512 -1.124 1
1 313 . 11 1 1 A 36 36 ILE N N 36 118.252 118.559 -0.307 1
1 314 . 11 1 1 A 37 37 LYS H H 37 8.444 8.421 0.023 1
1 315 . 11 1 1 A 37 37 LYS HA H 37 3.982 3.999 -0.017 1
1 324 . 11 1 1 A 37 37 LYS C C 37 178.872 179.347 -0.475 1
1 325 . 11 1 1 A 37 37 LYS CA C 37 58.715 59.748 -1.033 1
1 326 . 11 1 1 A 37 37 LYS CB C 37 31.802 31.958 -0.156 1
1 330 . 11 1 1 A 37 37 LYS N N 37 121.415 119.461 1.954 1
1 331 . 11 1 1 A 38 38 GLY H H 38 7.873 8.397 -0.524 1
1 332 . 11 1 1 A 38 38 GLY HA2 H 38 3.849 3.755 0.094 1
1 333 . 11 1 1 A 38 38 GLY HA3 H 38 3.849 3.757 0.092 1
1 334 . 11 1 1 A 38 38 GLY C C 38 175.341 175.951 -0.610 1
1 335 . 11 1 1 A 38 38 GLY CA C 38 46.490 47.396 -0.906 1
1 336 . 11 1 1 A 38 38 GLY N N 38 104.723 107.226 -2.503 1
1 337 . 11 1 1 A 39 39 GLN H H 39 7.288 7.534 -0.246 1
1 338 . 11 1 1 A 39 39 GLN HA H 39 4.313 4.211 0.102 1
1 345 . 11 1 1 A 39 39 GLN C C 39 175.814 175.957 -0.143 1
1 346 . 11 1 1 A 39 39 GLN CA C 39 56.482 56.584 -0.102 1
1 347 . 11 1 1 A 39 39 GLN CB C 39 30.074 29.111 0.963 1
1 349 . 11 1 1 A 39 39 GLN N N 39 117.295 119.673 -2.378 1
1 351 . 11 1 1 A 40 40 ASN H H 40 7.780 7.779 0.001 1
1 352 . 11 1 1 A 40 40 ASN HA H 40 5.159 5.195 -0.036 1
1 357 . 11 1 1 A 40 40 ASN C C 40 172.428 173.470 -1.042 1
1 358 . 11 1 1 A 40 40 ASN CA C 40 50.877 50.164 0.713 1
1 359 . 11 1 1 A 40 40 ASN CB C 40 39.595 38.867 0.728 1
1 360 . 11 1 1 A 40 40 ASN N N 40 115.989 117.588 -1.599 1
1 362 . 11 1 1 A 41 41 PRO HA H 41 4.523 4.346 0.177 1
1 369 . 11 1 1 A 41 41 PRO C C 41 177.550 177.745 -0.195 1
1 370 . 11 1 1 A 41 41 PRO CA C 41 64.837 64.011 0.826 1
1 371 . 11 1 1 A 41 41 PRO CB C 41 32.073 31.665 0.408 1
1 374 . 11 1 1 A 42 42 ASN H H 42 8.363 8.327 0.036 1
1 375 . 11 1 1 A 42 42 ASN HA H 42 4.853 4.651 0.202 1
1 380 . 11 1 1 A 42 42 ASN C C 42 175.387 175.743 -0.356 1
1 381 . 11 1 1 A 42 42 ASN CA C 42 52.753 54.928 -2.175 1
1 382 . 11 1 1 A 42 42 ASN CB C 42 38.879 38.744 0.135 1
1 383 . 11 1 1 A 42 42 ASN N N 42 114.677 115.215 -0.538 1
1 385 . 11 1 1 A 43 43 ALA H H 43 7.533 7.229 0.304 1
1 386 . 11 1 1 A 43 43 ALA HA H 43 4.443 4.233 0.210 1
1 390 . 11 1 1 A 43 43 ALA C C 43 178.490 177.385 1.105 1
1 391 . 11 1 1 A 43 43 ALA CA C 43 52.647 52.498 0.149 1
1 392 . 11 1 1 A 43 43 ALA CB C 43 19.314 19.058 0.256 1
1 393 . 11 1 1 A 43 43 ALA N N 43 124.307 121.899 2.408 1
1 394 . 11 1 1 A 44 44 THR H H 44 8.698 8.588 0.110 1
1 395 . 11 1 1 A 44 44 THR HA H 44 4.482 4.634 -0.152 1
1 400 . 11 1 1 A 44 44 THR C C 44 175.408 175.089 0.319 1
1 401 . 11 1 1 A 44 44 THR CA C 44 60.791 61.008 -0.217 1
1 402 . 11 1 1 A 44 44 THR CB C 44 71.516 68.541 2.975 1
1 404 . 11 1 1 A 44 44 THR N N 44 114.309 114.157 0.152 1
1 405 . 11 1 1 A 45 45 PHE HA H 45 4.303 4.158 0.145 1
1 410 . 11 1 1 A 45 45 PHE CA C 45 61.982 60.941 1.041 1
1 411 . 11 1 1 A 45 45 PHE CB C 45 38.942 37.511 1.431 1
1 414 . 11 1 1 A 46 46 GLY HA2 H 46 3.962 3.912 0.050 1
1 415 . 11 1 1 A 46 46 GLY HA3 H 46 3.745 3.936 -0.191 1
1 416 . 11 1 1 A 46 46 GLY C C 46 176.621 176.521 0.100 1
1 417 . 11 1 1 A 46 46 GLY CA C 46 46.930 47.082 -0.152 1
1 418 . 11 1 1 A 47 47 GLU H H 47 7.692 8.006 -0.314 1
1 419 . 11 1 1 A 47 47 GLU HA H 47 4.053 4.114 -0.061 1
1 424 . 11 1 1 A 47 47 GLU C C 47 179.472 179.105 0.367 1
1 425 . 11 1 1 A 47 47 GLU CA C 47 59.296 59.363 -0.067 1
1 426 . 11 1 1 A 47 47 GLU CB C 47 29.769 29.904 -0.135 1
1 428 . 11 1 1 A 47 47 GLU N N 47 123.040 121.894 1.146 1
1 429 . 11 1 1 A 48 48 VAL H H 48 8.504 7.998 0.506 1
1 430 . 11 1 1 A 48 48 VAL HA H 48 3.413 3.634 -0.221 1
1 438 . 11 1 1 A 48 48 VAL C C 48 177.640 178.274 -0.634 1
1 439 . 11 1 1 A 48 48 VAL CA C 48 67.159 66.040 1.119 1
1 440 . 11 1 1 A 48 48 VAL CB C 48 31.820 31.567 0.253 1
1 443 . 11 1 1 A 48 48 VAL N N 48 120.194 120.769 -0.575 1
1 444 . 11 1 1 A 49 49 SER H H 49 8.442 8.370 0.072 1
1 445 . 11 1 1 A 49 49 SER HA H 49 4.093 4.341 -0.248 1
1 448 . 11 1 1 A 49 49 SER C C 49 176.016 176.603 -0.587 1
1 449 . 11 1 1 A 49 49 SER CA C 49 62.500 62.020 0.480 1
1 450 . 11 1 1 A 49 49 SER CB C 49 62.653 63.332 -0.679 1
1 451 . 11 1 1 A 49 49 SER N N 49 113.484 116.847 -3.363 1
1 452 . 11 1 1 A 50 50 LYS H H 50 7.474 7.957 -0.483 1
1 453 . 11 1 1 A 50 50 LYS HA H 50 4.132 4.034 0.098 1
1 462 . 11 1 1 A 50 50 LYS C C 50 179.463 179.108 0.355 1
1 463 . 11 1 1 A 50 50 LYS CA C 50 59.525 59.740 -0.215 1
1 464 . 11 1 1 A 50 50 LYS CB C 50 32.606 32.293 0.313 1
1 468 . 11 1 1 A 50 50 LYS N N 50 120.865 121.605 -0.740 1
1 469 . 11 1 1 A 51 51 ILE H H 51 7.853 7.494 0.359 1
1 470 . 11 1 1 A 51 51 ILE HA H 51 3.793 3.708 0.085 1
1 480 . 11 1 1 A 51 51 ILE C C 51 179.105 177.786 1.319 1
1 481 . 11 1 1 A 51 51 ILE CA C 51 65.488 65.025 0.463 1
1 482 . 11 1 1 A 51 51 ILE CB C 51 38.603 38.050 0.553 1
1 486 . 11 1 1 A 51 51 ILE N N 51 121.720 120.462 1.258 1
1 487 . 11 1 1 A 52 52 VAL H H 52 8.703 7.531 1.172 1
1 488 . 11 1 1 A 52 52 VAL HA H 52 3.659 3.680 -0.021 1
1 496 . 11 1 1 A 52 52 VAL C C 52 178.262 178.502 -0.240 1
1 497 . 11 1 1 A 52 52 VAL CA C 52 67.388 66.777 0.611 1
1 498 . 11 1 1 A 52 52 VAL CB C 52 31.185 31.625 -0.440 1
1 501 . 11 1 1 A 52 52 VAL N N 52 121.006 119.918 1.088 1
1 502 . 11 1 1 A 53 53 ALA H H 53 8.343 8.654 -0.311 1
1 503 . 11 1 1 A 53 53 ALA HA H 53 4.412 4.351 0.061 1
1 507 . 11 1 1 A 53 53 ALA C C 53 180.884 180.143 0.741 1
1 508 . 11 1 1 A 53 53 ALA CA C 53 56.271 55.340 0.931 1
1 509 . 11 1 1 A 53 53 ALA CB C 53 17.888 18.237 -0.349 1
1 510 . 11 1 1 A 53 53 ALA N N 53 122.645 122.324 0.321 1
1 511 . 11 1 1 A 54 54 SER H H 54 7.905 8.011 -0.106 1
1 512 . 11 1 1 A 54 54 SER HA H 54 4.415 4.427 -0.012 1
1 515 . 11 1 1 A 54 54 SER C C 54 177.818 176.838 0.980 1
1 516 . 11 1 1 A 54 54 SER CA C 54 61.635 61.683 -0.048 1
1 517 . 11 1 1 A 54 54 SER CB C 54 62.947 63.431 -0.484 1
1 518 . 11 1 1 A 54 54 SER N N 54 114.062 114.837 -0.775 1
1 519 . 11 1 1 A 55 55 MET H H 55 8.553 8.584 -0.031 1
1 520 . 11 1 1 A 55 55 MET HA H 55 4.194 4.231 -0.037 1
1 528 . 11 1 1 A 55 55 MET C C 55 179.156 178.644 0.512 1
1 529 . 11 1 1 A 55 55 MET CA C 55 59.190 58.972 0.218 1
1 530 . 11 1 1 A 55 55 MET CB C 55 33.551 33.903 -0.352 1
1 533 . 11 1 1 A 55 55 MET N N 55 123.394 120.145 3.249 1
1 534 . 11 1 1 A 56 56 TRP H H 56 8.864 8.924 -0.060 1
1 535 . 11 1 1 A 56 56 TRP HA H 56 3.899 4.054 -0.155 1
1 544 . 11 1 1 A 56 56 TRP C C 56 178.213 178.033 0.180 1
1 545 . 11 1 1 A 56 56 TRP CA C 56 59.806 61.142 -1.336 1
1 546 . 11 1 1 A 56 56 TRP CB C 56 30.281 29.523 0.758 1
1 552 . 11 1 1 A 56 56 TRP N N 56 121.428 122.621 -1.193 1
1 554 . 11 1 1 A 57 57 ASP H H 57 8.061 8.333 -0.272 1
1 555 . 11 1 1 A 57 57 ASP HA H 57 4.253 4.386 -0.133 1
1 558 . 11 1 1 A 57 57 ASP C C 57 178.103 177.744 0.359 1
1 559 . 11 1 1 A 57 57 ASP CA C 57 57.186 56.753 0.433 1
1 560 . 11 1 1 A 57 57 ASP CB C 57 40.705 40.458 0.247 1
1 561 . 11 1 1 A 57 57 ASP N N 57 117.661 118.958 -1.297 1
1 562 . 11 1 1 A 58 58 GLY H H 58 7.481 7.764 -0.283 1
1 563 . 11 1 1 A 58 58 GLY HA2 H 58 4.202 3.942 0.260 1
1 564 . 11 1 1 A 58 58 GLY HA3 H 58 3.672 3.980 -0.308 1
1 565 . 11 1 1 A 58 58 GLY C C 58 174.062 173.077 0.985 1
1 566 . 11 1 1 A 58 58 GLY CA C 58 44.872 45.330 -0.458 1
1 567 . 11 1 1 A 58 58 GLY N N 58 103.794 107.165 -3.371 1
1 568 . 11 1 1 A 59 59 LEU H H 59 7.153 7.584 -0.431 1
1 569 . 11 1 1 A 59 59 LEU HA H 59 4.123 4.278 -0.155 1
1 579 . 11 1 1 A 59 59 LEU C C 59 177.880 177.267 0.613 1
1 580 . 11 1 1 A 59 59 LEU CA C 59 55.114 54.164 0.950 1
1 581 . 11 1 1 A 59 59 LEU CB C 59 43.149 42.747 0.402 1
1 585 . 11 1 1 A 59 59 LEU N N 59 123.874 121.883 1.991 1
1 586 . 11 1 1 A 60 60 GLY H H 60 8.523 8.008 0.515 1
1 587 . 11 1 1 A 60 60 GLY HA2 H 60 4.091 4.003 0.088 1
1 588 . 11 1 1 A 60 60 GLY HA3 H 60 3.993 4.010 -0.017 1
1 589 . 11 1 1 A 60 60 GLY C C 60 174.634 174.635 -0.001 1
1 590 . 11 1 1 A 60 60 GLY CA C 60 44.995 45.280 -0.285 1
1 591 . 11 1 1 A 60 60 GLY N N 60 110.475 110.807 -0.332 1
1 592 . 11 1 1 A 61 61 GLU H H 61 8.743 8.741 0.002 1
1 593 . 11 1 1 A 61 61 GLU HA H 61 3.873 3.815 0.058 1
1 598 . 11 1 1 A 61 61 GLU C C 61 178.841 178.672 0.169 1
1 599 . 11 1 1 A 61 61 GLU CA C 61 59.577 59.488 0.089 1
1 600 . 11 1 1 A 61 61 GLU CB C 61 29.299 29.571 -0.272 1
1 602 . 11 1 1 A 61 61 GLU N N 61 122.609 121.051 1.558 1
1 603 . 11 1 1 A 62 62 GLU H H 62 9.063 8.206 0.857 1
1 604 . 11 1 1 A 62 62 GLU HA H 62 4.033 4.402 -0.369 1
1 609 . 11 1 1 A 62 62 GLU C C 62 179.086 178.972 0.114 1
1 610 . 11 1 1 A 62 62 GLU CA C 62 59.841 59.566 0.275 1
1 611 . 11 1 1 A 62 62 GLU CB C 62 28.660 29.172 -0.512 1
1 613 . 11 1 1 A 62 62 GLU N N 62 118.089 118.796 -0.707 1
1 614 . 11 1 1 A 63 63 GLN H H 63 7.563 7.694 -0.131 1
1 615 . 11 1 1 A 63 63 GLN HA H 63 4.282 3.965 0.317 1
1 622 . 11 1 1 A 63 63 GLN C C 63 179.406 178.879 0.527 1
1 623 . 11 1 1 A 63 63 GLN CA C 63 59.050 58.181 0.869 1
1 624 . 11 1 1 A 63 63 GLN CB C 63 29.089 28.336 0.753 1
1 626 . 11 1 1 A 63 63 GLN N N 63 118.216 119.156 -0.940 1
1 628 . 11 1 1 A 64 64 LYS H H 64 8.193 8.012 0.181 1
1 629 . 11 1 1 A 64 64 LYS HA H 64 3.933 3.913 0.020 1
1 638 . 11 1 1 A 64 64 LYS C C 64 179.858 178.856 1.002 1
1 639 . 11 1 1 A 64 64 LYS CA C 64 60.774 59.231 1.543 1
1 640 . 11 1 1 A 64 64 LYS CB C 64 33.100 31.927 1.173 1
1 644 . 11 1 1 A 64 64 LYS N N 64 119.928 120.490 -0.562 1
1 645 . 11 1 1 A 65 65 GLN H H 65 8.459 8.302 0.157 1
1 646 . 11 1 1 A 65 65 GLN HA H 65 4.056 4.152 -0.096 1
1 653 . 11 1 1 A 65 65 GLN C C 65 177.751 178.290 -0.539 1
1 654 . 11 1 1 A 65 65 GLN CA C 65 58.891 58.724 0.167 1
1 655 . 11 1 1 A 65 65 GLN CB C 65 28.167 28.396 -0.229 1
1 657 . 11 1 1 A 65 65 GLN N N 65 117.874 118.508 -0.634 1
1 659 . 11 1 1 A 66 66 VAL H H 66 7.408 7.986 -0.578 1
1 660 . 11 1 1 A 66 66 VAL HA H 66 3.653 3.700 -0.047 1
1 668 . 11 1 1 A 66 66 VAL C C 66 178.900 177.524 1.376 1
1 669 . 11 1 1 A 66 66 VAL CA C 66 66.860 65.397 1.463 1
1 670 . 11 1 1 A 66 66 VAL CB C 66 31.784 31.206 0.578 1
1 673 . 11 1 1 A 66 66 VAL N N 66 119.348 120.164 -0.816 1
1 674 . 11 1 1 A 67 67 TYR H H 67 7.229 7.550 -0.321 1
1 675 . 11 1 1 A 67 67 TYR HA H 67 4.151 4.356 -0.205 1
1 682 . 11 1 1 A 67 67 TYR C C 67 178.776 178.652 0.124 1
1 683 . 11 1 1 A 67 67 TYR CA C 67 63.307 61.072 2.235 1
1 684 . 11 1 1 A 67 67 TYR CB C 67 39.308 38.021 1.287 1
1 689 . 11 1 1 A 67 67 TYR N N 67 117.638 120.539 -2.901 1
1 690 . 11 1 1 A 68 68 LYS H H 68 8.554 8.513 0.041 1
1 691 . 11 1 1 A 68 68 LYS HA H 68 4.195 4.297 -0.102 1
1 698 . 11 1 1 A 68 68 LYS C C 68 179.468 179.507 -0.039 1
1 699 . 11 1 1 A 68 68 LYS CA C 68 60.703 59.108 1.595 1
1 700 . 11 1 1 A 68 68 LYS CB C 68 32.154 32.576 -0.422 1
1 704 . 11 1 1 A 68 68 LYS N N 68 121.795 120.547 1.248 1
1 705 . 11 1 1 A 69 69 LYS H H 69 8.883 8.023 0.860 1
1 706 . 11 1 1 A 69 69 LYS HA H 69 4.171 4.112 0.059 1
1 715 . 11 1 1 A 69 69 LYS C C 69 180.214 179.383 0.831 1
1 716 . 11 1 1 A 69 69 LYS CA C 69 59.824 59.818 0.006 1
1 717 . 11 1 1 A 69 69 LYS CB C 69 32.072 32.042 0.030 1
1 721 . 11 1 1 A 69 69 LYS N N 69 120.539 119.883 0.656 1
1 722 . 11 1 1 A 70 70 LYS H H 70 7.791 7.765 0.026 1
1 723 . 11 1 1 A 70 70 LYS HA H 70 4.211 4.094 0.117 1
1 732 . 11 1 1 A 70 70 LYS C C 70 179.985 179.257 0.728 1
1 733 . 11 1 1 A 70 70 LYS CA C 70 60.017 59.485 0.532 1
1 734 . 11 1 1 A 70 70 LYS CB C 70 33.200 32.438 0.762 1
1 738 . 11 1 1 A 70 70 LYS N N 70 119.946 119.898 0.048 1
1 739 . 11 1 1 A 71 71 THR H H 71 8.002 7.957 0.045 1
1 740 . 11 1 1 A 71 71 THR HA H 71 4.301 3.938 0.363 1
1 745 . 11 1 1 A 71 71 THR C C 71 176.462 176.648 -0.186 1
1 746 . 11 1 1 A 71 71 THR CA C 71 66.402 66.485 -0.083 1
1 747 . 11 1 1 A 71 71 THR CB C 71 68.949 68.600 0.349 1
1 749 . 11 1 1 A 71 71 THR N N 71 116.183 115.100 1.083 1
1 750 . 11 1 1 A 72 72 GLU H H 72 8.295 7.752 0.543 1
1 751 . 11 1 1 A 72 72 GLU HA H 72 4.143 4.044 0.099 1
1 756 . 11 1 1 A 72 72 GLU C C 72 179.498 179.072 0.426 1
1 757 . 11 1 1 A 72 72 GLU CA C 72 59.665 59.266 0.399 1
1 758 . 11 1 1 A 72 72 GLU CB C 72 29.400 29.618 -0.218 1
1 760 . 11 1 1 A 72 72 GLU N N 72 123.438 119.545 3.893 1
1 761 . 11 1 1 A 73 73 ALA H H 73 8.063 8.120 -0.057 1
1 762 . 11 1 1 A 73 73 ALA HA H 73 4.262 4.138 0.124 1
1 766 . 11 1 1 A 73 73 ALA C C 73 180.639 179.111 1.528 1
1 767 . 11 1 1 A 73 73 ALA CA C 73 55.268 54.628 0.640 1
1 768 . 11 1 1 A 73 73 ALA CB C 73 17.824 18.015 -0.191 1
1 769 . 11 1 1 A 73 73 ALA N N 73 122.231 123.027 -0.796 1
1 770 . 11 1 1 A 74 74 ALA H H 74 8.093 8.002 0.091 1
1 771 . 11 1 1 A 74 74 ALA HA H 74 4.320 4.305 0.015 1
1 775 . 11 1 1 A 74 74 ALA C C 74 181.394 179.592 1.802 1
1 776 . 11 1 1 A 74 74 ALA CA C 74 54.904 54.160 0.744 1
1 777 . 11 1 1 A 74 74 ALA CB C 74 18.313 19.177 -0.864 1
1 778 . 11 1 1 A 74 74 ALA N N 74 121.882 119.661 2.221 1
1 779 . 11 1 1 A 75 75 LYS H H 75 8.661 8.226 0.435 1
1 780 . 11 1 1 A 75 75 LYS HA H 75 4.053 4.090 -0.037 1
1 786 . 11 1 1 A 75 75 LYS C C 75 178.096 178.581 -0.485 1
1 787 . 11 1 1 A 75 75 LYS CA C 75 60.510 59.585 0.925 1
1 788 . 11 1 1 A 75 75 LYS CB C 75 32.236 32.088 0.148 1
1 792 . 11 1 1 A 75 75 LYS N N 75 121.652 118.372 3.280 1
1 793 . 11 1 1 A 76 76 LYS H H 76 7.855 8.119 -0.264 1
1 794 . 11 1 1 A 76 76 LYS HA H 76 4.110 3.945 0.165 1
1 799 . 11 1 1 A 76 76 LYS C C 76 179.822 178.831 0.991 1
1 800 . 11 1 1 A 76 76 LYS CA C 76 59.993 60.168 -0.175 1
1 801 . 11 1 1 A 76 76 LYS CB C 76 32.401 32.216 0.185 1
1 805 . 11 1 1 A 76 76 LYS N N 76 119.219 118.281 0.938 1
1 806 . 11 1 1 A 77 77 GLU H H 77 7.880 8.166 -0.286 1
1 807 . 11 1 1 A 77 77 GLU HA H 77 4.233 4.083 0.150 1
1 812 . 11 1 1 A 77 77 GLU C C 77 178.358 178.165 0.193 1
1 813 . 11 1 1 A 77 77 GLU CA C 77 58.980 59.283 -0.303 1
1 814 . 11 1 1 A 77 77 GLU CB C 77 29.235 29.316 -0.081 1
1 816 . 11 1 1 A 77 77 GLU N N 77 119.640 118.171 1.469 1
1 817 . 11 1 1 A 78 78 TYR H H 78 8.391 8.210 0.181 1
1 818 . 11 1 1 A 78 78 TYR HA H 78 4.413 4.046 0.367 1
1 825 . 11 1 1 A 78 78 TYR C C 78 176.737 176.921 -0.184 1
1 826 . 11 1 1 A 78 78 TYR CA C 78 60.809 61.763 -0.954 1
1 827 . 11 1 1 A 78 78 TYR CB C 78 38.239 38.908 -0.669 1
1 832 . 11 1 1 A 78 78 TYR N N 78 121.464 121.963 -0.499 1
1 833 . 11 1 1 A 79 79 LEU H H 79 8.203 7.933 0.270 1
1 834 . 11 1 1 A 79 79 LEU HA H 79 3.764 3.711 0.053 1
1 844 . 11 1 1 A 79 79 LEU C C 79 180.728 179.127 1.601 1
1 845 . 11 1 1 A 79 79 LEU CA C 79 58.170 57.802 0.368 1
1 846 . 11 1 1 A 79 79 LEU CB C 79 41.445 41.449 -0.004 1
1 850 . 11 1 1 A 79 79 LEU N N 79 118.433 119.827 -1.394 1
1 851 . 11 1 1 A 80 80 LYS H H 80 7.523 8.242 -0.719 1
1 852 . 11 1 1 A 80 80 LYS HA H 80 4.134 3.797 0.337 1
1 861 . 11 1 1 A 80 80 LYS C C 80 179.804 179.881 -0.077 1
1 862 . 11 1 1 A 80 80 LYS CA C 80 59.630 60.419 -0.789 1
1 863 . 11 1 1 A 80 80 LYS CB C 80 32.400 32.309 0.091 1
1 867 . 11 1 1 A 80 80 LYS N N 80 120.723 117.328 3.395 1
1 868 . 11 1 1 A 81 81 GLN H H 81 8.473 7.920 0.553 1
1 869 . 11 1 1 A 81 81 GLN HA H 81 4.144 4.060 0.084 1
1 876 . 11 1 1 A 81 81 GLN C C 81 179.906 178.503 1.403 1
1 877 . 11 1 1 A 81 81 GLN CA C 81 58.628 58.711 -0.083 1
1 878 . 11 1 1 A 81 81 GLN CB C 81 28.273 28.047 0.226 1
1 880 . 11 1 1 A 81 81 GLN N N 81 120.899 118.755 2.144 1
1 882 . 11 1 1 A 82 82 LEU H H 82 9.233 7.521 1.712 1
1 883 . 11 1 1 A 82 82 LEU HA H 82 3.963 4.141 -0.178 1
1 893 . 11 1 1 A 82 82 LEU C C 82 178.293 178.340 -0.047 1
1 894 . 11 1 1 A 82 82 LEU CA C 82 57.959 57.576 0.383 1
1 895 . 11 1 1 A 82 82 LEU CB C 82 42.044 41.324 0.720 1
1 899 . 11 1 1 A 82 82 LEU N N 82 123.463 121.525 1.938 1
1 900 . 11 1 1 A 83 83 ALA H H 83 7.732 8.405 -0.673 1
1 901 . 11 1 1 A 83 83 ALA HA H 83 4.223 4.021 0.202 1
1 905 . 11 1 1 A 83 83 ALA C C 83 180.853 179.184 1.669 1
1 906 . 11 1 1 A 83 83 ALA CA C 83 54.944 54.583 0.361 1
1 907 . 11 1 1 A 83 83 ALA CB C 83 17.765 18.407 -0.642 1
1 908 . 11 1 1 A 83 83 ALA N N 83 120.956 120.514 0.442 1
1 909 . 11 1 1 A 84 84 ALA H H 84 7.716 7.641 0.075 1
1 910 . 11 1 1 A 84 84 ALA HA H 84 4.135 4.207 -0.072 1
1 914 . 11 1 1 A 84 84 ALA C C 84 180.256 178.924 1.332 1
1 915 . 11 1 1 A 84 84 ALA CA C 84 55.234 54.757 0.477 1
1 916 . 11 1 1 A 84 84 ALA CB C 84 17.806 19.333 -1.527 1
1 917 . 11 1 1 A 84 84 ALA N N 84 121.082 119.655 1.427 1
1 918 . 11 1 1 A 85 85 TYR H H 85 8.453 8.233 0.220 1
1 919 . 11 1 1 A 85 85 TYR HA H 85 4.310 3.941 0.369 1
1 926 . 11 1 1 A 85 85 TYR C C 85 178.538 177.512 1.026 1
1 927 . 11 1 1 A 85 85 TYR CA C 85 60.862 61.963 -1.101 1
1 928 . 11 1 1 A 85 85 TYR CB C 85 38.444 38.915 -0.471 1
1 933 . 11 1 1 A 85 85 TYR N N 85 121.359 119.980 1.379 1
1 934 . 11 1 1 A 86 86 ARG H H 86 8.734 7.660 1.074 1
1 935 . 11 1 1 A 86 86 ARG HA H 86 3.713 3.513 0.200 1
1 942 . 11 1 1 A 86 86 ARG C C 86 178.962 178.574 0.388 1
1 943 . 11 1 1 A 86 86 ARG CA C 86 59.454 59.287 0.167 1
1 944 . 11 1 1 A 86 86 ARG CB C 86 29.605 30.119 -0.514 1
1 947 . 11 1 1 A 86 86 ARG N N 86 119.740 118.571 1.169 1
1 948 . 11 1 1 A 87 87 ALA H H 87 7.853 8.225 -0.372 1
1 949 . 11 1 1 A 87 87 ALA HA H 87 4.195 4.029 0.166 1
1 953 . 11 1 1 A 87 87 ALA C C 87 179.605 179.895 -0.290 1
1 954 . 11 1 1 A 87 87 ALA CA C 87 54.353 55.070 -0.717 1
1 955 . 11 1 1 A 87 87 ALA CB C 87 17.971 18.770 -0.799 1
1 956 . 11 1 1 A 87 87 ALA N N 87 120.667 122.283 -1.616 1
1 957 . 11 1 1 A 88 88 SER H H 88 7.763 7.520 0.243 1
1 958 . 11 1 1 A 88 88 SER HA H 88 4.347 4.158 0.189 1
1 961 . 11 1 1 A 88 88 SER C C 88 175.219 177.221 -2.002 1
1 962 . 11 1 1 A 88 88 SER CA C 88 60.158 61.605 -1.447 1
1 963 . 11 1 1 A 88 88 SER CB C 88 63.440 62.952 0.488 1
1 964 . 11 1 1 A 88 88 SER N N 88 114.332 114.160 0.172 1
1 965 . 11 1 1 A 89 89 LEU H H 89 7.344 7.992 -0.648 1
1 966 . 11 1 1 A 89 89 LEU HA H 89 4.163 3.829 0.334 1
1 976 . 11 1 1 A 89 89 LEU C C 89 178.335 177.417 0.918 1
1 977 . 11 1 1 A 89 89 LEU CA C 89 56.059 58.028 -1.969 1
1 978 . 11 1 1 A 89 89 LEU CB C 89 42.062 42.007 0.055 1
1 982 . 11 1 1 A 89 89 LEU N N 89 121.862 119.991 1.871 1
1 983 . 11 1 1 A 90 90 VAL H H 90 7.533 7.402 0.131 1
1 984 . 11 1 1 A 90 90 VAL HA H 90 4.063 4.111 -0.048 1
1 992 . 11 1 1 A 90 90 VAL C C 90 176.743 176.246 0.497 1
1 993 . 11 1 1 A 90 90 VAL CA C 90 63.183 62.516 0.667 1
1 994 . 11 1 1 A 90 90 VAL CB C 90 32.318 31.060 1.258 1
1 997 . 11 1 1 A 90 90 VAL N N 90 117.748 114.198 3.550 1
1 998 . 11 1 1 A 91 91 SER H H 91 8.059 8.817 -0.758 1
1 999 . 11 1 1 A 91 91 SER HA H 91 4.415 4.099 0.316 1
1 1002 . 11 1 1 A 91 91 SER C C 91 174.854 172.985 1.869 1
1 1003 . 11 1 1 A 91 91 SER CA C 91 58.861 60.435 -1.574 1
1 1004 . 11 1 1 A 91 91 SER CB C 91 63.810 62.194 1.616 1
1 1005 . 11 1 1 A 91 91 SER N N 91 117.663 117.443 0.220 1
1 1006 . 11 1 1 A 92 92 LYS H H 92 8.158 8.075 0.083 1
1 1007 . 11 1 1 A 92 92 LYS HA H 92 4.329 4.690 -0.361 1
1 1010 . 11 1 1 A 92 92 LYS C C 92 176.528 174.247 2.281 1
1 1011 . 11 1 1 A 92 92 LYS CA C 92 56.551 55.883 0.668 1
1 1012 . 11 1 1 A 92 92 LYS CB C 92 32.771 35.946 -3.175 1
1 1016 . 11 1 1 A 92 92 LYS N N 92 122.827 118.503 4.324 1
1 1017 . 11 1 1 A 93 93 SER H H 93 8.186 8.486 -0.300 1
1 1018 . 11 1 1 A 93 93 SER HA H 93 4.444 5.053 -0.609 1
1 1021 . 11 1 1 A 93 93 SER C C 93 174.271 172.518 1.753 1
1 1022 . 11 1 1 A 93 93 SER CA C 93 58.504 57.242 1.262 1
1 1023 . 11 1 1 A 93 93 SER CB C 93 63.933 66.456 -2.523 1
1 1024 . 11 1 1 A 93 93 SER N N 93 116.068 116.251 -0.183 1
1 1025 . 11 1 1 A 94 94 TYR H H 94 8.146 9.010 -0.864 1
1 1026 . 11 1 1 A 94 94 TYR HA H 94 4.658 4.764 -0.106 1
1 1033 . 11 1 1 A 94 94 TYR C C 94 176.011 175.224 0.787 1
1 1034 . 11 1 1 A 94 94 TYR CA C 94 58.135 59.249 -1.114 1
1 1035 . 11 1 1 A 94 94 TYR CB C 94 38.855 39.438 -0.583 1
1 1040 . 11 1 1 A 94 94 TYR N N 94 122.150 129.173 -7.023 1
1 1041 . 11 1 1 A 95 95 THR H H 95 8.024 7.738 0.286 1
1 1042 . 11 1 1 A 95 95 THR HA H 95 4.333 4.577 -0.244 1
1 1047 . 11 1 1 A 95 95 THR C C 95 174.054 171.792 2.262 1
1 1048 . 11 1 1 A 95 95 THR CA C 95 61.740 61.347 0.393 1
1 1049 . 11 1 1 A 95 95 THR CB C 95 69.977 71.408 -1.431 1
1 1051 . 11 1 1 A 95 95 THR N N 95 115.298 118.503 -3.205 1
1 1052 . 11 1 1 A 96 96 ASP H H 96 8.288 8.708 -0.420 1
1 1053 . 11 1 1 A 96 96 ASP HA H 96 4.663 4.463 0.200 1
1 1056 . 11 1 1 A 96 96 ASP C C 96 176.252 176.477 -0.225 1
1 1057 . 11 1 1 A 96 96 ASP CA C 96 54.494 54.771 -0.277 1
1 1058 . 11 1 1 A 96 96 ASP CB C 96 41.404 41.171 0.233 1
1 1059 . 11 1 1 A 96 96 ASP N N 96 122.969 130.258 -7.289 1
1 1060 . 11 1 1 A 97 97 SER H H 97 8.272 8.456 -0.184 1
1 1061 . 11 1 1 A 97 97 SER HA H 97 4.500 4.448 0.052 1
1 1063 . 11 1 1 A 97 97 SER C C 97 174.845 175.055 -0.210 1
1 1064 . 11 1 1 A 97 97 SER CA C 97 58.522 59.126 -0.604 1
1 1065 . 11 1 1 A 97 97 SER CB C 97 63.656 64.078 -0.422 1
1 1066 . 11 1 1 A 97 97 SER N N 97 116.137 120.394 -4.257 1
1 1067 . 11 1 1 A 98 98 GLY H H 98 8.289 8.261 0.028 1
1 1068 . 11 1 1 A 98 98 GLY HA2 H 98 4.123 4.132 -0.009 1
1 1069 . 11 1 1 A 98 98 GLY HA3 H 98 4.123 4.132 -0.009 1
1 1070 . 11 1 1 A 98 98 GLY C C 98 171.920 173.019 -1.099 1
1 1071 . 11 1 1 A 98 98 GLY CA C 98 44.748 43.987 0.761 1
1 1072 . 11 1 1 A 98 98 GLY N N 98 110.751 109.617 1.134 1
1 1073 . 11 1 1 A 99 99 PRO HA H 99 4.490 4.645 -0.155 1
1 1080 . 11 1 1 A 99 99 PRO CA C 99 63.373 62.686 0.687 1
1 1081 . 11 1 1 A 99 99 PRO CB C 99 32.247 33.248 -1.001 1
1 1 . 12 1 1 A 12 12 LYS HA H 12 4.317 4.403 -0.086 1
1 6 . 12 1 1 A 12 12 LYS C C 12 176.329 176.591 -0.262 1
1 7 . 12 1 1 A 12 12 LYS CA C 12 56.223 57.785 -1.562 1
1 8 . 12 1 1 A 12 12 LYS CB C 12 33.117 32.844 0.273 1
1 12 . 12 1 1 A 13 13 LYS H H 13 8.394 7.650 0.744 1
1 13 . 12 1 1 A 13 13 LYS HA H 13 4.273 4.890 -0.617 1
1 18 . 12 1 1 A 13 13 LYS C C 13 175.990 174.084 1.906 1
1 19 . 12 1 1 A 13 13 LYS CA C 13 56.222 55.116 1.106 1
1 20 . 12 1 1 A 13 13 LYS CB C 13 33.223 37.034 -3.811 1
1 24 . 12 1 1 A 13 13 LYS N N 13 123.900 116.917 6.983 1
1 25 . 12 1 1 A 14 14 ASP H H 14 8.625 9.031 -0.406 1
1 26 . 12 1 1 A 14 14 ASP HA H 14 4.902 5.298 -0.396 1
1 29 . 12 1 1 A 14 14 ASP CA C 14 51.958 50.597 1.361 1
1 30 . 12 1 1 A 14 14 ASP CB C 14 41.422 41.939 -0.517 1
1 31 . 12 1 1 A 14 14 ASP N N 14 124.861 123.910 0.951 1
1 32 . 12 1 1 A 15 15 PRO HA H 15 4.442 4.616 -0.174 1
1 39 . 12 1 1 A 15 15 PRO C C 15 176.634 177.324 -0.690 1
1 40 . 12 1 1 A 15 15 PRO CA C 15 63.606 62.291 1.315 1
1 41 . 12 1 1 A 15 15 PRO CB C 15 32.323 30.056 2.267 1
1 44 . 12 1 1 A 16 16 ASN H H 16 8.414 8.444 -0.030 1
1 45 . 12 1 1 A 16 16 ASN HA H 16 4.683 4.356 0.327 1
1 50 . 12 1 1 A 16 16 ASN C C 16 174.365 176.059 -1.694 1
1 51 . 12 1 1 A 16 16 ASN CA C 16 52.946 56.623 -3.677 1
1 52 . 12 1 1 A 16 16 ASN CB C 16 39.266 38.695 0.571 1
1 53 . 12 1 1 A 16 16 ASN N N 16 116.873 121.329 -4.456 1
1 55 . 12 1 1 A 17 17 GLU H H 17 7.712 7.570 0.142 1
1 56 . 12 1 1 A 17 17 GLU HA H 17 3.233 3.660 -0.427 1
1 61 . 12 1 1 A 17 17 GLU C C 17 174.415 175.040 -0.625 1
1 62 . 12 1 1 A 17 17 GLU CA C 17 54.423 54.527 -0.104 1
1 63 . 12 1 1 A 17 17 GLU CB C 17 29.911 30.308 -0.397 1
1 65 . 12 1 1 A 17 17 GLU N N 17 122.673 119.396 3.277 1
1 66 . 12 1 1 A 18 18 PRO HA H 18 4.384 4.526 -0.142 1
1 73 . 12 1 1 A 18 18 PRO CA C 18 62.896 62.609 0.287 1
1 74 . 12 1 1 A 18 18 PRO CB C 18 31.963 32.063 -0.100 1
1 77 . 12 1 1 A 19 19 GLN H H 19 8.654 8.545 0.109 1
1 78 . 12 1 1 A 19 19 GLN HA H 19 4.293 4.555 -0.262 1
1 85 . 12 1 1 A 19 19 GLN C C 19 175.384 175.221 0.163 1
1 86 . 12 1 1 A 19 19 GLN CA C 19 55.057 55.706 -0.649 1
1 87 . 12 1 1 A 19 19 GLN CB C 19 29.793 29.384 0.409 1
1 89 . 12 1 1 A 19 19 GLN N N 19 122.106 120.893 1.213 1
1 91 . 12 1 1 A 20 20 LYS H H 20 8.383 8.435 -0.052 1
1 92 . 12 1 1 A 20 20 LYS HA H 20 3.393 2.781 0.612 1
1 101 . 12 1 1 A 20 20 LYS C C 20 174.706 174.990 -0.284 1
1 102 . 12 1 1 A 20 20 LYS CA C 20 54.951 53.664 1.287 1
1 103 . 12 1 1 A 20 20 LYS CB C 20 31.802 32.498 -0.696 1
1 107 . 12 1 1 A 20 20 LYS N N 20 124.861 126.368 -1.507 1
1 108 . 12 1 1 A 21 21 PRO HA H 21 4.500 4.519 -0.019 1
1 115 . 12 1 1 A 21 21 PRO C C 21 176.741 176.401 0.340 1
1 116 . 12 1 1 A 21 21 PRO CA C 21 62.396 62.435 -0.039 1
1 117 . 12 1 1 A 21 21 PRO CB C 21 32.392 32.132 0.260 1
1 120 . 12 1 1 A 22 22 VAL H H 22 7.850 8.148 -0.298 1
1 121 . 12 1 1 A 22 22 VAL HA H 22 4.303 4.469 -0.166 1
1 129 . 12 1 1 A 22 22 VAL C C 22 175.615 175.806 -0.191 1
1 130 . 12 1 1 A 22 22 VAL CA C 22 60.967 59.335 1.632 1
1 131 . 12 1 1 A 22 22 VAL CB C 22 32.342 34.304 -1.962 1
1 134 . 12 1 1 A 22 22 VAL N N 22 115.924 115.867 0.057 1
1 135 . 12 1 1 A 23 23 SER H H 23 8.125 8.507 -0.382 1
1 136 . 12 1 1 A 23 23 SER HA H 23 4.433 4.446 -0.013 1
1 139 . 12 1 1 A 23 23 SER C C 23 173.516 175.719 -2.203 1
1 140 . 12 1 1 A 23 23 SER CA C 23 57.590 58.970 -1.380 1
1 141 . 12 1 1 A 23 23 SER CB C 23 65.578 64.147 1.431 1
1 142 . 12 1 1 A 23 23 SER N N 23 116.922 118.745 -1.823 1
1 143 . 12 1 1 A 24 24 ALA H H 24 8.707 8.944 -0.237 1
1 144 . 12 1 1 A 24 24 ALA HA H 24 4.046 4.134 -0.088 1
1 148 . 12 1 1 A 24 24 ALA C C 24 178.727 179.156 -0.429 1
1 149 . 12 1 1 A 24 24 ALA CA C 24 55.971 55.157 0.814 1
1 150 . 12 1 1 A 24 24 ALA CB C 24 18.505 18.827 -0.322 1
1 151 . 12 1 1 A 24 24 ALA N N 24 123.025 125.854 -2.829 1
1 152 . 12 1 1 A 25 25 TYR H H 25 8.119 8.168 -0.049 1
1 153 . 12 1 1 A 25 25 TYR HA H 25 2.678 1.617 1.061 1
1 160 . 12 1 1 A 25 25 TYR C C 25 176.253 177.301 -1.048 1
1 161 . 12 1 1 A 25 25 TYR CA C 25 60.281 60.356 -0.075 1
1 162 . 12 1 1 A 25 25 TYR CB C 25 37.951 37.957 -0.006 1
1 167 . 12 1 1 A 25 25 TYR N N 25 115.954 118.975 -3.021 1
1 168 . 12 1 1 A 26 26 ALA H H 26 7.742 7.644 0.098 1
1 169 . 12 1 1 A 26 26 ALA HA H 26 3.758 3.705 0.053 1
1 173 . 12 1 1 A 26 26 ALA C C 26 181.489 179.525 1.964 1
1 174 . 12 1 1 A 26 26 ALA CA C 26 54.859 54.252 0.607 1
1 175 . 12 1 1 A 26 26 ALA CB C 26 18.029 18.441 -0.412 1
1 176 . 12 1 1 A 26 26 ALA N N 26 121.384 121.129 0.255 1
1 177 . 12 1 1 A 27 27 LEU H H 27 7.991 8.260 -0.269 1
1 178 . 12 1 1 A 27 27 LEU HA H 27 4.023 4.010 0.013 1
1 188 . 12 1 1 A 27 27 LEU C C 27 178.625 177.783 0.842 1
1 189 . 12 1 1 A 27 27 LEU CA C 27 57.876 57.699 0.177 1
1 190 . 12 1 1 A 27 27 LEU CB C 27 42.103 41.535 0.568 1
1 194 . 12 1 1 A 27 27 LEU N N 27 120.626 119.426 1.200 1
1 195 . 12 1 1 A 28 28 PHE H H 28 7.706 7.430 0.276 1
1 196 . 12 1 1 A 28 28 PHE HA H 28 3.653 4.029 -0.376 1
1 204 . 12 1 1 A 28 28 PHE C C 28 178.640 177.454 1.186 1
1 205 . 12 1 1 A 28 28 PHE CA C 28 61.653 59.337 2.316 1
1 206 . 12 1 1 A 28 28 PHE CB C 28 39.060 39.524 -0.464 1
1 212 . 12 1 1 A 28 28 PHE N N 28 122.656 119.534 3.122 1
1 213 . 12 1 1 A 29 29 PHE H H 29 9.246 8.100 1.146 1
1 214 . 12 1 1 A 29 29 PHE HA H 29 3.483 3.847 -0.364 1
1 222 . 12 1 1 A 29 29 PHE C C 29 177.478 177.609 -0.131 1
1 223 . 12 1 1 A 29 29 PHE CA C 29 61.126 60.566 0.560 1
1 224 . 12 1 1 A 29 29 PHE CB C 29 38.837 38.795 0.042 1
1 230 . 12 1 1 A 29 29 PHE N N 29 123.986 119.475 4.511 1
1 231 . 12 1 1 A 30 30 ARG H H 30 8.044 8.043 0.001 1
1 232 . 12 1 1 A 30 30 ARG HA H 30 4.046 4.200 -0.154 1
1 239 . 12 1 1 A 30 30 ARG C C 30 179.156 177.095 2.061 1
1 240 . 12 1 1 A 30 30 ARG CA C 30 59.542 58.287 1.255 1
1 241 . 12 1 1 A 30 30 ARG CB C 30 30.053 29.621 0.432 1
1 244 . 12 1 1 A 30 30 ARG N N 30 119.141 118.017 1.124 1
1 245 . 12 1 1 A 31 31 ASP H H 31 7.712 8.071 -0.359 1
1 246 . 12 1 1 A 31 31 ASP HA H 31 4.523 4.506 0.017 1
1 249 . 12 1 1 A 31 31 ASP C C 31 177.850 177.476 0.374 1
1 250 . 12 1 1 A 31 31 ASP CA C 31 56.516 56.501 0.015 1
1 251 . 12 1 1 A 31 31 ASP CB C 31 40.664 41.105 -0.441 1
1 252 . 12 1 1 A 31 31 ASP N N 31 118.527 119.264 -0.737 1
1 253 . 12 1 1 A 32 32 THR H H 32 7.704 6.999 0.705 1
1 254 . 12 1 1 A 32 32 THR HA H 32 3.953 3.935 0.018 1
1 259 . 12 1 1 A 32 32 THR C C 32 175.637 175.733 -0.096 1
1 260 . 12 1 1 A 32 32 THR CA C 32 65.030 65.161 -0.131 1
1 261 . 12 1 1 A 32 32 THR CB C 32 69.195 68.675 0.520 1
1 263 . 12 1 1 A 32 32 THR N N 32 115.935 114.601 1.334 1
1 264 . 12 1 1 A 33 33 GLN H H 33 8.361 7.953 0.408 1
1 265 . 12 1 1 A 33 33 GLN HA H 33 3.373 3.669 -0.296 1
1 272 . 12 1 1 A 33 33 GLN C C 33 176.526 177.819 -1.293 1
1 273 . 12 1 1 A 33 33 GLN CA C 33 60.000 58.961 1.039 1
1 274 . 12 1 1 A 33 33 GLN CB C 33 26.827 28.533 -1.706 1
1 276 . 12 1 1 A 33 33 GLN N N 33 120.539 119.543 0.996 1
1 278 . 12 1 1 A 34 34 ALA H H 34 8.053 8.089 -0.036 1
1 279 . 12 1 1 A 34 34 ALA HA H 34 3.964 4.001 -0.037 1
1 283 . 12 1 1 A 34 34 ALA C C 34 180.762 180.001 0.761 1
1 284 . 12 1 1 A 34 34 ALA CA C 34 55.338 55.053 0.285 1
1 285 . 12 1 1 A 34 34 ALA CB C 34 17.724 18.544 -0.820 1
1 286 . 12 1 1 A 34 34 ALA N N 34 120.505 120.853 -0.348 1
1 287 . 12 1 1 A 35 35 ALA H H 35 7.763 8.077 -0.314 1
1 288 . 12 1 1 A 35 35 ALA HA H 35 4.135 4.094 0.041 1
1 292 . 12 1 1 A 35 35 ALA C C 35 180.801 180.292 0.509 1
1 293 . 12 1 1 A 35 35 ALA CA C 35 54.635 55.051 -0.416 1
1 294 . 12 1 1 A 35 35 ALA CB C 35 17.888 18.252 -0.364 1
1 295 . 12 1 1 A 35 35 ALA N N 35 122.109 119.977 2.132 1
1 296 . 12 1 1 A 36 36 ILE H H 36 7.673 7.891 -0.218 1
1 297 . 12 1 1 A 36 36 ILE HA H 36 3.753 3.683 0.070 1
1 307 . 12 1 1 A 36 36 ILE C C 36 179.213 177.945 1.268 1
1 308 . 12 1 1 A 36 36 ILE CA C 36 62.955 64.815 -1.860 1
1 309 . 12 1 1 A 36 36 ILE CB C 36 36.388 37.562 -1.174 1
1 313 . 12 1 1 A 36 36 ILE N N 36 118.252 118.580 -0.328 1
1 314 . 12 1 1 A 37 37 LYS H H 37 8.444 8.511 -0.067 1
1 315 . 12 1 1 A 37 37 LYS HA H 37 3.982 3.900 0.082 1
1 324 . 12 1 1 A 37 37 LYS C C 37 178.872 179.427 -0.555 1
1 325 . 12 1 1 A 37 37 LYS CA C 37 58.715 59.730 -1.015 1
1 326 . 12 1 1 A 37 37 LYS CB C 37 31.802 32.219 -0.417 1
1 330 . 12 1 1 A 37 37 LYS N N 37 121.415 119.806 1.609 1
1 331 . 12 1 1 A 38 38 GLY H H 38 7.873 8.301 -0.428 1
1 332 . 12 1 1 A 38 38 GLY HA2 H 38 3.849 3.790 0.059 1
1 333 . 12 1 1 A 38 38 GLY HA3 H 38 3.849 3.792 0.057 1
1 334 . 12 1 1 A 38 38 GLY C C 38 175.341 176.139 -0.798 1
1 335 . 12 1 1 A 38 38 GLY CA C 38 46.490 47.334 -0.844 1
1 336 . 12 1 1 A 38 38 GLY N N 38 104.723 106.764 -2.041 1
1 337 . 12 1 1 A 39 39 GLN H H 39 7.288 7.721 -0.433 1
1 338 . 12 1 1 A 39 39 GLN HA H 39 4.313 4.236 0.077 1
1 345 . 12 1 1 A 39 39 GLN C C 39 175.814 175.833 -0.019 1
1 346 . 12 1 1 A 39 39 GLN CA C 39 56.482 57.177 -0.695 1
1 347 . 12 1 1 A 39 39 GLN CB C 39 30.074 29.308 0.766 1
1 349 . 12 1 1 A 39 39 GLN N N 39 117.295 119.691 -2.396 1
1 351 . 12 1 1 A 40 40 ASN H H 40 7.780 7.716 0.064 1
1 352 . 12 1 1 A 40 40 ASN HA H 40 5.159 5.183 -0.024 1
1 357 . 12 1 1 A 40 40 ASN C C 40 172.428 173.390 -0.962 1
1 358 . 12 1 1 A 40 40 ASN CA C 40 50.877 50.351 0.526 1
1 359 . 12 1 1 A 40 40 ASN CB C 40 39.595 38.820 0.775 1
1 360 . 12 1 1 A 40 40 ASN N N 40 115.989 117.290 -1.301 1
1 362 . 12 1 1 A 41 41 PRO HA H 41 4.523 4.328 0.195 1
1 369 . 12 1 1 A 41 41 PRO C C 41 177.550 177.315 0.235 1
1 370 . 12 1 1 A 41 41 PRO CA C 41 64.837 64.322 0.515 1
1 371 . 12 1 1 A 41 41 PRO CB C 41 32.073 31.905 0.168 1
1 374 . 12 1 1 A 42 42 ASN H H 42 8.363 8.590 -0.227 1
1 375 . 12 1 1 A 42 42 ASN HA H 42 4.853 4.481 0.372 1
1 380 . 12 1 1 A 42 42 ASN C C 42 175.387 176.333 -0.946 1
1 381 . 12 1 1 A 42 42 ASN CA C 42 52.753 54.984 -2.231 1
1 382 . 12 1 1 A 42 42 ASN CB C 42 38.879 38.528 0.351 1
1 383 . 12 1 1 A 42 42 ASN N N 42 114.677 116.218 -1.541 1
1 385 . 12 1 1 A 43 43 ALA H H 43 7.533 7.192 0.341 1
1 386 . 12 1 1 A 43 43 ALA HA H 43 4.443 4.285 0.158 1
1 390 . 12 1 1 A 43 43 ALA C C 43 178.490 176.805 1.685 1
1 391 . 12 1 1 A 43 43 ALA CA C 43 52.647 52.604 0.043 1
1 392 . 12 1 1 A 43 43 ALA CB C 43 19.314 19.500 -0.186 1
1 393 . 12 1 1 A 43 43 ALA N N 43 124.307 122.380 1.927 1
1 394 . 12 1 1 A 44 44 THR H H 44 8.698 8.339 0.359 1
1 395 . 12 1 1 A 44 44 THR HA H 44 4.482 4.491 -0.009 1
1 400 . 12 1 1 A 44 44 THR C C 44 175.408 174.738 0.670 1
1 401 . 12 1 1 A 44 44 THR CA C 44 60.791 59.676 1.115 1
1 402 . 12 1 1 A 44 44 THR CB C 44 71.516 69.010 2.506 1
1 404 . 12 1 1 A 44 44 THR N N 44 114.309 109.250 5.059 1
1 405 . 12 1 1 A 45 45 PHE HA H 45 4.303 4.180 0.123 1
1 410 . 12 1 1 A 45 45 PHE CA C 45 61.982 61.219 0.763 1
1 411 . 12 1 1 A 45 45 PHE CB C 45 38.942 37.459 1.483 1
1 414 . 12 1 1 A 46 46 GLY HA2 H 46 3.962 3.836 0.126 1
1 415 . 12 1 1 A 46 46 GLY HA3 H 46 3.745 3.859 -0.114 1
1 416 . 12 1 1 A 46 46 GLY C C 46 176.621 176.229 0.392 1
1 417 . 12 1 1 A 46 46 GLY CA C 46 46.930 47.401 -0.471 1
1 418 . 12 1 1 A 47 47 GLU H H 47 7.692 8.079 -0.387 1
1 419 . 12 1 1 A 47 47 GLU HA H 47 4.053 4.122 -0.069 1
1 424 . 12 1 1 A 47 47 GLU C C 47 179.472 179.163 0.309 1
1 425 . 12 1 1 A 47 47 GLU CA C 47 59.296 59.310 -0.014 1
1 426 . 12 1 1 A 47 47 GLU CB C 47 29.769 29.830 -0.061 1
1 428 . 12 1 1 A 47 47 GLU N N 47 123.040 121.819 1.221 1
1 429 . 12 1 1 A 48 48 VAL H H 48 8.504 8.012 0.492 1
1 430 . 12 1 1 A 48 48 VAL HA H 48 3.413 3.752 -0.339 1
1 438 . 12 1 1 A 48 48 VAL C C 48 177.640 177.519 0.121 1
1 439 . 12 1 1 A 48 48 VAL CA C 48 67.159 65.665 1.494 1
1 440 . 12 1 1 A 48 48 VAL CB C 48 31.820 31.584 0.236 1
1 443 . 12 1 1 A 48 48 VAL N N 48 120.194 120.653 -0.459 1
1 444 . 12 1 1 A 49 49 SER H H 49 8.442 8.351 0.091 1
1 445 . 12 1 1 A 49 49 SER HA H 49 4.093 4.534 -0.441 1
1 448 . 12 1 1 A 49 49 SER C C 49 176.016 176.507 -0.491 1
1 449 . 12 1 1 A 49 49 SER CA C 49 62.500 61.180 1.320 1
1 450 . 12 1 1 A 49 49 SER CB C 49 62.653 63.813 -1.160 1
1 451 . 12 1 1 A 49 49 SER N N 49 113.484 115.015 -1.531 1
1 452 . 12 1 1 A 50 50 LYS H H 50 7.474 8.105 -0.631 1
1 453 . 12 1 1 A 50 50 LYS HA H 50 4.132 4.082 0.050 1
1 462 . 12 1 1 A 50 50 LYS C C 50 179.463 179.426 0.037 1
1 463 . 12 1 1 A 50 50 LYS CA C 50 59.525 59.125 0.400 1
1 464 . 12 1 1 A 50 50 LYS CB C 50 32.606 32.385 0.221 1
1 468 . 12 1 1 A 50 50 LYS N N 50 120.865 120.804 0.061 1
1 469 . 12 1 1 A 51 51 ILE H H 51 7.853 7.493 0.360 1
1 470 . 12 1 1 A 51 51 ILE HA H 51 3.793 3.793 0.000 1
1 480 . 12 1 1 A 51 51 ILE C C 51 179.105 177.932 1.173 1
1 481 . 12 1 1 A 51 51 ILE CA C 51 65.488 64.666 0.822 1
1 482 . 12 1 1 A 51 51 ILE CB C 51 38.603 38.003 0.600 1
1 486 . 12 1 1 A 51 51 ILE N N 51 121.720 120.440 1.280 1
1 487 . 12 1 1 A 52 52 VAL H H 52 8.703 7.409 1.294 1
1 488 . 12 1 1 A 52 52 VAL HA H 52 3.659 3.562 0.097 1
1 496 . 12 1 1 A 52 52 VAL C C 52 178.262 178.002 0.260 1
1 497 . 12 1 1 A 52 52 VAL CA C 52 67.388 66.852 0.536 1
1 498 . 12 1 1 A 52 52 VAL CB C 52 31.185 31.325 -0.140 1
1 501 . 12 1 1 A 52 52 VAL N N 52 121.006 119.987 1.019 1
1 502 . 12 1 1 A 53 53 ALA H H 53 8.343 8.377 -0.034 1
1 503 . 12 1 1 A 53 53 ALA HA H 53 4.412 4.348 0.064 1
1 507 . 12 1 1 A 53 53 ALA C C 53 180.884 180.073 0.811 1
1 508 . 12 1 1 A 53 53 ALA CA C 53 56.271 55.967 0.304 1
1 509 . 12 1 1 A 53 53 ALA CB C 53 17.888 18.730 -0.842 1
1 510 . 12 1 1 A 53 53 ALA N N 53 122.645 122.581 0.064 1
1 511 . 12 1 1 A 54 54 SER H H 54 7.905 8.338 -0.433 1
1 512 . 12 1 1 A 54 54 SER HA H 54 4.415 4.123 0.292 1
1 515 . 12 1 1 A 54 54 SER C C 54 177.818 177.422 0.396 1
1 516 . 12 1 1 A 54 54 SER CA C 54 61.635 61.610 0.025 1
1 517 . 12 1 1 A 54 54 SER CB C 54 62.947 62.977 -0.030 1
1 518 . 12 1 1 A 54 54 SER N N 54 114.062 113.042 1.020 1
1 519 . 12 1 1 A 55 55 MET H H 55 8.553 8.372 0.181 1
1 520 . 12 1 1 A 55 55 MET HA H 55 4.194 4.136 0.058 1
1 528 . 12 1 1 A 55 55 MET C C 55 179.156 178.585 0.571 1
1 529 . 12 1 1 A 55 55 MET CA C 55 59.190 58.966 0.224 1
1 530 . 12 1 1 A 55 55 MET CB C 55 33.551 33.335 0.216 1
1 533 . 12 1 1 A 55 55 MET N N 55 123.394 119.096 4.298 1
1 534 . 12 1 1 A 56 56 TRP H H 56 8.864 9.013 -0.149 1
1 535 . 12 1 1 A 56 56 TRP HA H 56 3.899 3.834 0.065 1
1 544 . 12 1 1 A 56 56 TRP C C 56 178.213 178.313 -0.100 1
1 545 . 12 1 1 A 56 56 TRP CA C 56 59.806 60.792 -0.986 1
1 546 . 12 1 1 A 56 56 TRP CB C 56 30.281 29.628 0.653 1
1 552 . 12 1 1 A 56 56 TRP N N 56 121.428 122.399 -0.971 1
1 554 . 12 1 1 A 57 57 ASP H H 57 8.061 8.622 -0.561 1
1 555 . 12 1 1 A 57 57 ASP HA H 57 4.253 4.194 0.059 1
1 558 . 12 1 1 A 57 57 ASP C C 57 178.103 177.838 0.265 1
1 559 . 12 1 1 A 57 57 ASP CA C 57 57.186 57.089 0.097 1
1 560 . 12 1 1 A 57 57 ASP CB C 57 40.705 41.194 -0.489 1
1 561 . 12 1 1 A 57 57 ASP N N 57 117.661 118.851 -1.190 1
1 562 . 12 1 1 A 58 58 GLY H H 58 7.481 7.639 -0.158 1
1 563 . 12 1 1 A 58 58 GLY HA2 H 58 4.202 3.912 0.290 1
1 564 . 12 1 1 A 58 58 GLY HA3 H 58 3.672 3.939 -0.267 1
1 565 . 12 1 1 A 58 58 GLY C C 58 174.062 174.168 -0.106 1
1 566 . 12 1 1 A 58 58 GLY CA C 58 44.872 45.218 -0.346 1
1 567 . 12 1 1 A 58 58 GLY N N 58 103.794 106.356 -2.562 1
1 568 . 12 1 1 A 59 59 LEU H H 59 7.153 7.002 0.151 1
1 569 . 12 1 1 A 59 59 LEU HA H 59 4.123 4.022 0.101 1
1 579 . 12 1 1 A 59 59 LEU C C 59 177.880 176.826 1.054 1
1 580 . 12 1 1 A 59 59 LEU CA C 59 55.114 55.681 -0.567 1
1 581 . 12 1 1 A 59 59 LEU CB C 59 43.149 42.398 0.751 1
1 585 . 12 1 1 A 59 59 LEU N N 59 123.874 121.608 2.266 1
1 586 . 12 1 1 A 60 60 GLY H H 60 8.523 7.991 0.532 1
1 587 . 12 1 1 A 60 60 GLY HA2 H 60 4.091 3.987 0.104 1
1 588 . 12 1 1 A 60 60 GLY HA3 H 60 3.993 4.001 -0.008 1
1 589 . 12 1 1 A 60 60 GLY C C 60 174.634 175.059 -0.425 1
1 590 . 12 1 1 A 60 60 GLY CA C 60 44.995 45.174 -0.179 1
1 591 . 12 1 1 A 60 60 GLY N N 60 110.475 109.649 0.826 1
1 592 . 12 1 1 A 61 61 GLU H H 61 8.743 8.807 -0.064 1
1 593 . 12 1 1 A 61 61 GLU HA H 61 3.873 3.826 0.047 1
1 598 . 12 1 1 A 61 61 GLU C C 61 178.841 178.052 0.789 1
1 599 . 12 1 1 A 61 61 GLU CA C 61 59.577 59.418 0.159 1
1 600 . 12 1 1 A 61 61 GLU CB C 61 29.299 29.290 0.009 1
1 602 . 12 1 1 A 61 61 GLU N N 61 122.609 121.905 0.704 1
1 603 . 12 1 1 A 62 62 GLU H H 62 9.063 7.995 1.068 1
1 604 . 12 1 1 A 62 62 GLU HA H 62 4.033 4.056 -0.023 1
1 609 . 12 1 1 A 62 62 GLU C C 62 179.086 179.134 -0.048 1
1 610 . 12 1 1 A 62 62 GLU CA C 62 59.841 59.131 0.710 1
1 611 . 12 1 1 A 62 62 GLU CB C 62 28.660 29.207 -0.547 1
1 613 . 12 1 1 A 62 62 GLU N N 62 118.089 119.690 -1.601 1
1 614 . 12 1 1 A 63 63 GLN H H 63 7.563 8.085 -0.522 1
1 615 . 12 1 1 A 63 63 GLN HA H 63 4.282 4.034 0.248 1
1 622 . 12 1 1 A 63 63 GLN C C 63 179.406 178.863 0.543 1
1 623 . 12 1 1 A 63 63 GLN CA C 63 59.050 58.263 0.787 1
1 624 . 12 1 1 A 63 63 GLN CB C 63 29.089 28.341 0.748 1
1 626 . 12 1 1 A 63 63 GLN N N 63 118.216 119.201 -0.985 1
1 628 . 12 1 1 A 64 64 LYS H H 64 8.193 7.812 0.381 1
1 629 . 12 1 1 A 64 64 LYS HA H 64 3.933 4.017 -0.084 1
1 638 . 12 1 1 A 64 64 LYS C C 64 179.858 178.988 0.870 1
1 639 . 12 1 1 A 64 64 LYS CA C 64 60.774 59.405 1.369 1
1 640 . 12 1 1 A 64 64 LYS CB C 64 33.100 32.081 1.019 1
1 644 . 12 1 1 A 64 64 LYS N N 64 119.928 120.398 -0.470 1
1 645 . 12 1 1 A 65 65 GLN H H 65 8.459 8.062 0.397 1
1 646 . 12 1 1 A 65 65 GLN HA H 65 4.056 4.125 -0.069 1
1 653 . 12 1 1 A 65 65 GLN C C 65 177.751 178.127 -0.376 1
1 654 . 12 1 1 A 65 65 GLN CA C 65 58.891 58.652 0.239 1
1 655 . 12 1 1 A 65 65 GLN CB C 65 28.167 28.434 -0.267 1
1 657 . 12 1 1 A 65 65 GLN N N 65 117.874 117.712 0.162 1
1 659 . 12 1 1 A 66 66 VAL H H 66 7.408 7.768 -0.360 1
1 660 . 12 1 1 A 66 66 VAL HA H 66 3.653 3.694 -0.041 1
1 668 . 12 1 1 A 66 66 VAL C C 66 178.900 177.498 1.402 1
1 669 . 12 1 1 A 66 66 VAL CA C 66 66.860 65.474 1.386 1
1 670 . 12 1 1 A 66 66 VAL CB C 66 31.784 30.905 0.879 1
1 673 . 12 1 1 A 66 66 VAL N N 66 119.348 119.397 -0.049 1
1 674 . 12 1 1 A 67 67 TYR H H 67 7.229 7.735 -0.506 1
1 675 . 12 1 1 A 67 67 TYR HA H 67 4.151 4.386 -0.235 1
1 682 . 12 1 1 A 67 67 TYR C C 67 178.776 178.702 0.074 1
1 683 . 12 1 1 A 67 67 TYR CA C 67 63.307 61.110 2.197 1
1 684 . 12 1 1 A 67 67 TYR CB C 67 39.308 38.351 0.957 1
1 689 . 12 1 1 A 67 67 TYR N N 67 117.638 120.968 -3.330 1
1 690 . 12 1 1 A 68 68 LYS H H 68 8.554 8.168 0.386 1
1 691 . 12 1 1 A 68 68 LYS HA H 68 4.195 4.402 -0.207 1
1 698 . 12 1 1 A 68 68 LYS C C 68 179.468 179.290 0.178 1
1 699 . 12 1 1 A 68 68 LYS CA C 68 60.703 58.763 1.940 1
1 700 . 12 1 1 A 68 68 LYS CB C 68 32.154 32.488 -0.334 1
1 704 . 12 1 1 A 68 68 LYS N N 68 121.795 120.516 1.279 1
1 705 . 12 1 1 A 69 69 LYS H H 69 8.883 7.967 0.916 1
1 706 . 12 1 1 A 69 69 LYS HA H 69 4.171 4.237 -0.066 1
1 715 . 12 1 1 A 69 69 LYS C C 69 180.214 178.268 1.946 1
1 716 . 12 1 1 A 69 69 LYS CA C 69 59.824 58.971 0.853 1
1 717 . 12 1 1 A 69 69 LYS CB C 69 32.072 32.429 -0.357 1
1 721 . 12 1 1 A 69 69 LYS N N 69 120.539 119.283 1.256 1
1 722 . 12 1 1 A 70 70 LYS H H 70 7.791 7.705 0.086 1
1 723 . 12 1 1 A 70 70 LYS HA H 70 4.211 4.161 0.050 1
1 732 . 12 1 1 A 70 70 LYS C C 70 179.985 179.097 0.888 1
1 733 . 12 1 1 A 70 70 LYS CA C 70 60.017 59.047 0.970 1
1 734 . 12 1 1 A 70 70 LYS CB C 70 33.200 32.208 0.992 1
1 738 . 12 1 1 A 70 70 LYS N N 70 119.946 118.298 1.648 1
1 739 . 12 1 1 A 71 71 THR H H 71 8.002 8.039 -0.037 1
1 740 . 12 1 1 A 71 71 THR HA H 71 4.301 3.828 0.473 1
1 745 . 12 1 1 A 71 71 THR C C 71 176.462 176.516 -0.054 1
1 746 . 12 1 1 A 71 71 THR CA C 71 66.402 66.902 -0.500 1
1 747 . 12 1 1 A 71 71 THR CB C 71 68.949 68.457 0.492 1
1 749 . 12 1 1 A 71 71 THR N N 71 116.183 116.616 -0.433 1
1 750 . 12 1 1 A 72 72 GLU H H 72 8.295 8.030 0.265 1
1 751 . 12 1 1 A 72 72 GLU HA H 72 4.143 4.084 0.059 1
1 756 . 12 1 1 A 72 72 GLU C C 72 179.498 178.668 0.830 1
1 757 . 12 1 1 A 72 72 GLU CA C 72 59.665 59.292 0.373 1
1 758 . 12 1 1 A 72 72 GLU CB C 72 29.400 29.621 -0.221 1
1 760 . 12 1 1 A 72 72 GLU N N 72 123.438 119.638 3.800 1
1 761 . 12 1 1 A 73 73 ALA H H 73 8.063 8.105 -0.042 1
1 762 . 12 1 1 A 73 73 ALA HA H 73 4.262 4.162 0.100 1
1 766 . 12 1 1 A 73 73 ALA C C 73 180.639 179.357 1.282 1
1 767 . 12 1 1 A 73 73 ALA CA C 73 55.268 54.810 0.458 1
1 768 . 12 1 1 A 73 73 ALA CB C 73 17.824 18.312 -0.488 1
1 769 . 12 1 1 A 73 73 ALA N N 73 122.231 121.932 0.299 1
1 770 . 12 1 1 A 74 74 ALA H H 74 8.093 7.615 0.478 1
1 771 . 12 1 1 A 74 74 ALA HA H 74 4.320 4.307 0.013 1
1 775 . 12 1 1 A 74 74 ALA C C 74 181.394 179.987 1.407 1
1 776 . 12 1 1 A 74 74 ALA CA C 74 54.904 52.978 1.926 1
1 777 . 12 1 1 A 74 74 ALA CB C 74 18.313 19.411 -1.098 1
1 778 . 12 1 1 A 74 74 ALA N N 74 121.882 119.403 2.479 1
1 779 . 12 1 1 A 75 75 LYS H H 75 8.661 7.916 0.745 1
1 780 . 12 1 1 A 75 75 LYS HA H 75 4.053 4.165 -0.112 1
1 786 . 12 1 1 A 75 75 LYS C C 75 178.096 178.546 -0.450 1
1 787 . 12 1 1 A 75 75 LYS CA C 75 60.510 59.180 1.330 1
1 788 . 12 1 1 A 75 75 LYS CB C 75 32.236 32.824 -0.588 1
1 792 . 12 1 1 A 75 75 LYS N N 75 121.652 118.221 3.431 1
1 793 . 12 1 1 A 76 76 LYS H H 76 7.855 8.241 -0.386 1
1 794 . 12 1 1 A 76 76 LYS HA H 76 4.110 3.946 0.164 1
1 799 . 12 1 1 A 76 76 LYS C C 76 179.822 178.882 0.940 1
1 800 . 12 1 1 A 76 76 LYS CA C 76 59.993 59.321 0.672 1
1 801 . 12 1 1 A 76 76 LYS CB C 76 32.401 32.166 0.235 1
1 805 . 12 1 1 A 76 76 LYS N N 76 119.219 119.127 0.092 1
1 806 . 12 1 1 A 77 77 GLU H H 77 7.880 8.230 -0.350 1
1 807 . 12 1 1 A 77 77 GLU HA H 77 4.233 4.131 0.102 1
1 812 . 12 1 1 A 77 77 GLU C C 77 178.358 178.473 -0.115 1
1 813 . 12 1 1 A 77 77 GLU CA C 77 58.980 59.229 -0.249 1
1 814 . 12 1 1 A 77 77 GLU CB C 77 29.235 29.295 -0.060 1
1 816 . 12 1 1 A 77 77 GLU N N 77 119.640 118.193 1.447 1
1 817 . 12 1 1 A 78 78 TYR H H 78 8.391 7.932 0.459 1
1 818 . 12 1 1 A 78 78 TYR HA H 78 4.413 4.143 0.270 1
1 825 . 12 1 1 A 78 78 TYR C C 78 176.737 177.271 -0.534 1
1 826 . 12 1 1 A 78 78 TYR CA C 78 60.809 61.444 -0.635 1
1 827 . 12 1 1 A 78 78 TYR CB C 78 38.239 38.655 -0.416 1
1 832 . 12 1 1 A 78 78 TYR N N 78 121.464 122.145 -0.681 1
1 833 . 12 1 1 A 79 79 LEU H H 79 8.203 8.629 -0.426 1
1 834 . 12 1 1 A 79 79 LEU HA H 79 3.764 3.722 0.042 1
1 844 . 12 1 1 A 79 79 LEU C C 79 180.728 179.156 1.572 1
1 845 . 12 1 1 A 79 79 LEU CA C 79 58.170 57.987 0.183 1
1 846 . 12 1 1 A 79 79 LEU CB C 79 41.445 41.420 0.025 1
1 850 . 12 1 1 A 79 79 LEU N N 79 118.433 119.657 -1.224 1
1 851 . 12 1 1 A 80 80 LYS H H 80 7.523 8.201 -0.678 1
1 852 . 12 1 1 A 80 80 LYS HA H 80 4.134 3.937 0.197 1
1 861 . 12 1 1 A 80 80 LYS C C 80 179.804 179.804 0.000 1
1 862 . 12 1 1 A 80 80 LYS CA C 80 59.630 60.244 -0.614 1
1 863 . 12 1 1 A 80 80 LYS CB C 80 32.400 32.398 0.002 1
1 867 . 12 1 1 A 80 80 LYS N N 80 120.723 118.511 2.212 1
1 868 . 12 1 1 A 81 81 GLN H H 81 8.473 7.921 0.552 1
1 869 . 12 1 1 A 81 81 GLN HA H 81 4.144 3.959 0.185 1
1 876 . 12 1 1 A 81 81 GLN C C 81 179.906 178.272 1.634 1
1 877 . 12 1 1 A 81 81 GLN CA C 81 58.628 58.793 -0.165 1
1 878 . 12 1 1 A 81 81 GLN CB C 81 28.273 28.216 0.057 1
1 880 . 12 1 1 A 81 81 GLN N N 81 120.899 118.783 2.116 1
1 882 . 12 1 1 A 82 82 LEU H H 82 9.233 8.126 1.107 1
1 883 . 12 1 1 A 82 82 LEU HA H 82 3.963 4.023 -0.060 1
1 893 . 12 1 1 A 82 82 LEU C C 82 178.293 178.144 0.149 1
1 894 . 12 1 1 A 82 82 LEU CA C 82 57.959 58.112 -0.153 1
1 895 . 12 1 1 A 82 82 LEU CB C 82 42.044 41.492 0.552 1
1 899 . 12 1 1 A 82 82 LEU N N 82 123.463 121.945 1.518 1
1 900 . 12 1 1 A 83 83 ALA H H 83 7.732 8.429 -0.697 1
1 901 . 12 1 1 A 83 83 ALA HA H 83 4.223 3.961 0.262 1
1 905 . 12 1 1 A 83 83 ALA C C 83 180.853 179.436 1.417 1
1 906 . 12 1 1 A 83 83 ALA CA C 83 54.944 54.840 0.104 1
1 907 . 12 1 1 A 83 83 ALA CB C 83 17.765 18.345 -0.580 1
1 908 . 12 1 1 A 83 83 ALA N N 83 120.956 120.093 0.863 1
1 909 . 12 1 1 A 84 84 ALA H H 84 7.716 7.348 0.368 1
1 910 . 12 1 1 A 84 84 ALA HA H 84 4.135 4.261 -0.126 1
1 914 . 12 1 1 A 84 84 ALA C C 84 180.256 178.957 1.299 1
1 915 . 12 1 1 A 84 84 ALA CA C 84 55.234 54.524 0.710 1
1 916 . 12 1 1 A 84 84 ALA CB C 84 17.806 19.189 -1.383 1
1 917 . 12 1 1 A 84 84 ALA N N 84 121.082 119.611 1.471 1
1 918 . 12 1 1 A 85 85 TYR H H 85 8.453 8.322 0.131 1
1 919 . 12 1 1 A 85 85 TYR HA H 85 4.310 3.975 0.335 1
1 926 . 12 1 1 A 85 85 TYR C C 85 178.538 177.462 1.076 1
1 927 . 12 1 1 A 85 85 TYR CA C 85 60.862 62.050 -1.188 1
1 928 . 12 1 1 A 85 85 TYR CB C 85 38.444 38.853 -0.409 1
1 933 . 12 1 1 A 85 85 TYR N N 85 121.359 120.111 1.248 1
1 934 . 12 1 1 A 86 86 ARG H H 86 8.734 7.844 0.890 1
1 935 . 12 1 1 A 86 86 ARG HA H 86 3.713 3.649 0.064 1
1 942 . 12 1 1 A 86 86 ARG C C 86 178.962 178.784 0.178 1
1 943 . 12 1 1 A 86 86 ARG CA C 86 59.454 59.508 -0.054 1
1 944 . 12 1 1 A 86 86 ARG CB C 86 29.605 29.757 -0.152 1
1 947 . 12 1 1 A 86 86 ARG N N 86 119.740 118.757 0.983 1
1 948 . 12 1 1 A 87 87 ALA H H 87 7.853 8.424 -0.571 1
1 949 . 12 1 1 A 87 87 ALA HA H 87 4.195 4.029 0.166 1
1 953 . 12 1 1 A 87 87 ALA C C 87 179.605 179.435 0.170 1
1 954 . 12 1 1 A 87 87 ALA CA C 87 54.353 55.029 -0.676 1
1 955 . 12 1 1 A 87 87 ALA CB C 87 17.971 18.538 -0.567 1
1 956 . 12 1 1 A 87 87 ALA N N 87 120.667 121.543 -0.876 1
1 957 . 12 1 1 A 88 88 SER H H 88 7.763 7.458 0.305 1
1 958 . 12 1 1 A 88 88 SER HA H 88 4.347 4.292 0.055 1
1 961 . 12 1 1 A 88 88 SER C C 88 175.219 176.625 -1.406 1
1 962 . 12 1 1 A 88 88 SER CA C 88 60.158 61.534 -1.376 1
1 963 . 12 1 1 A 88 88 SER CB C 88 63.440 63.441 -0.001 1
1 964 . 12 1 1 A 88 88 SER N N 88 114.332 114.312 0.020 1
1 965 . 12 1 1 A 89 89 LEU H H 89 7.344 8.007 -0.663 1
1 966 . 12 1 1 A 89 89 LEU HA H 89 4.163 3.930 0.233 1
1 976 . 12 1 1 A 89 89 LEU C C 89 178.335 177.042 1.293 1
1 977 . 12 1 1 A 89 89 LEU CA C 89 56.059 57.629 -1.570 1
1 978 . 12 1 1 A 89 89 LEU CB C 89 42.062 41.777 0.285 1
1 982 . 12 1 1 A 89 89 LEU N N 89 121.862 119.479 2.383 1
1 983 . 12 1 1 A 90 90 VAL H H 90 7.533 7.819 -0.286 1
1 984 . 12 1 1 A 90 90 VAL HA H 90 4.063 4.017 0.046 1
1 992 . 12 1 1 A 90 90 VAL C C 90 176.743 175.306 1.437 1
1 993 . 12 1 1 A 90 90 VAL CA C 90 63.183 61.908 1.275 1
1 994 . 12 1 1 A 90 90 VAL CB C 90 32.318 32.752 -0.434 1
1 997 . 12 1 1 A 90 90 VAL N N 90 117.748 118.194 -0.446 1
1 998 . 12 1 1 A 91 91 SER H H 91 8.059 8.853 -0.794 1
1 999 . 12 1 1 A 91 91 SER HA H 91 4.415 4.822 -0.407 1
1 1002 . 12 1 1 A 91 91 SER C C 91 174.854 173.717 1.137 1
1 1003 . 12 1 1 A 91 91 SER CA C 91 58.861 56.525 2.336 1
1 1004 . 12 1 1 A 91 91 SER CB C 91 63.810 64.171 -0.361 1
1 1005 . 12 1 1 A 91 91 SER N N 91 117.663 118.023 -0.360 1
1 1006 . 12 1 1 A 92 92 LYS H H 92 8.158 8.629 -0.471 1
1 1007 . 12 1 1 A 92 92 LYS HA H 92 4.329 3.891 0.438 1
1 1010 . 12 1 1 A 92 92 LYS C C 92 176.528 176.622 -0.094 1
1 1011 . 12 1 1 A 92 92 LYS CA C 92 56.551 56.863 -0.312 1
1 1012 . 12 1 1 A 92 92 LYS CB C 92 32.771 31.069 1.702 1
1 1016 . 12 1 1 A 92 92 LYS N N 92 122.827 128.317 -5.490 1
1 1017 . 12 1 1 A 93 93 SER H H 93 8.186 8.008 0.178 1
1 1018 . 12 1 1 A 93 93 SER HA H 93 4.444 4.230 0.214 1
1 1021 . 12 1 1 A 93 93 SER C C 93 174.271 174.767 -0.496 1
1 1022 . 12 1 1 A 93 93 SER CA C 93 58.504 61.560 -3.056 1
1 1023 . 12 1 1 A 93 93 SER CB C 93 63.933 63.978 -0.045 1
1 1024 . 12 1 1 A 93 93 SER N N 93 116.068 118.858 -2.790 1
1 1025 . 12 1 1 A 94 94 TYR H H 94 8.146 7.748 0.398 1
1 1026 . 12 1 1 A 94 94 TYR HA H 94 4.658 4.704 -0.046 1
1 1033 . 12 1 1 A 94 94 TYR C C 94 176.011 175.817 0.194 1
1 1034 . 12 1 1 A 94 94 TYR CA C 94 58.135 58.928 -0.793 1
1 1035 . 12 1 1 A 94 94 TYR CB C 94 38.855 40.161 -1.306 1
1 1040 . 12 1 1 A 94 94 TYR N N 94 122.150 118.556 3.594 1
1 1041 . 12 1 1 A 95 95 THR H H 95 8.024 8.237 -0.213 1
1 1042 . 12 1 1 A 95 95 THR HA H 95 4.333 4.472 -0.139 1
1 1047 . 12 1 1 A 95 95 THR C C 95 174.054 172.504 1.550 1
1 1048 . 12 1 1 A 95 95 THR CA C 95 61.740 63.100 -1.360 1
1 1049 . 12 1 1 A 95 95 THR CB C 95 69.977 67.927 2.050 1
1 1051 . 12 1 1 A 95 95 THR N N 95 115.298 112.450 2.848 1
1 1052 . 12 1 1 A 96 96 ASP H H 96 8.288 8.716 -0.428 1
1 1053 . 12 1 1 A 96 96 ASP HA H 96 4.663 5.178 -0.515 1
1 1056 . 12 1 1 A 96 96 ASP C C 96 176.252 173.984 2.268 1
1 1057 . 12 1 1 A 96 96 ASP CA C 96 54.494 54.452 0.042 1
1 1058 . 12 1 1 A 96 96 ASP CB C 96 41.404 45.378 -3.974 1
1 1059 . 12 1 1 A 96 96 ASP N N 96 122.969 126.131 -3.162 1
1 1060 . 12 1 1 A 97 97 SER H H 97 8.272 8.605 -0.333 1
1 1061 . 12 1 1 A 97 97 SER HA H 97 4.500 5.249 -0.749 1
1 1063 . 12 1 1 A 97 97 SER C C 97 174.845 173.427 1.418 1
1 1064 . 12 1 1 A 97 97 SER CA C 97 58.522 57.264 1.258 1
1 1065 . 12 1 1 A 97 97 SER CB C 97 63.656 66.260 -2.604 1
1 1066 . 12 1 1 A 97 97 SER N N 97 116.137 120.453 -4.316 1
1 1067 . 12 1 1 A 98 98 GLY H H 98 8.289 8.708 -0.419 1
1 1068 . 12 1 1 A 98 98 GLY HA2 H 98 4.123 4.115 0.008 1
1 1069 . 12 1 1 A 98 98 GLY HA3 H 98 4.123 4.116 0.007 1
1 1070 . 12 1 1 A 98 98 GLY C C 98 171.920 174.065 -2.145 1
1 1071 . 12 1 1 A 98 98 GLY CA C 98 44.748 44.285 0.463 1
1 1072 . 12 1 1 A 98 98 GLY N N 98 110.751 110.426 0.325 1
1 1073 . 12 1 1 A 99 99 PRO HA H 99 4.490 4.431 0.059 1
1 1080 . 12 1 1 A 99 99 PRO CA C 99 63.373 64.163 -0.790 1
1 1081 . 12 1 1 A 99 99 PRO CB C 99 32.247 31.849 0.398 1
1 1 . 13 1 1 A 12 12 LYS HA H 12 4.317 5.150 -0.833 1
1 6 . 13 1 1 A 12 12 LYS C C 12 176.329 174.107 2.222 1
1 7 . 13 1 1 A 12 12 LYS CA C 12 56.223 55.101 1.122 1
1 8 . 13 1 1 A 12 12 LYS CB C 12 33.117 36.526 -3.409 1
1 12 . 13 1 1 A 13 13 LYS H H 13 8.394 8.736 -0.342 1
1 13 . 13 1 1 A 13 13 LYS HA H 13 4.273 5.040 -0.767 1
1 18 . 13 1 1 A 13 13 LYS C C 13 175.990 175.870 0.120 1
1 19 . 13 1 1 A 13 13 LYS CA C 13 56.222 54.529 1.693 1
1 20 . 13 1 1 A 13 13 LYS CB C 13 33.223 35.799 -2.576 1
1 24 . 13 1 1 A 13 13 LYS N N 13 123.900 123.007 0.893 1
1 25 . 13 1 1 A 14 14 ASP H H 14 8.625 8.858 -0.233 1
1 26 . 13 1 1 A 14 14 ASP HA H 14 4.902 4.703 0.199 1
1 29 . 13 1 1 A 14 14 ASP CA C 14 51.958 52.537 -0.579 1
1 30 . 13 1 1 A 14 14 ASP CB C 14 41.422 40.492 0.930 1
1 31 . 13 1 1 A 14 14 ASP N N 14 124.861 125.161 -0.300 1
1 32 . 13 1 1 A 15 15 PRO HA H 15 4.442 4.556 -0.114 1
1 39 . 13 1 1 A 15 15 PRO C C 15 176.634 176.455 0.179 1
1 40 . 13 1 1 A 15 15 PRO CA C 15 63.606 62.348 1.258 1
1 41 . 13 1 1 A 15 15 PRO CB C 15 32.323 33.284 -0.961 1
1 44 . 13 1 1 A 16 16 ASN H H 16 8.414 8.917 -0.503 1
1 45 . 13 1 1 A 16 16 ASN HA H 16 4.683 4.709 -0.026 1
1 50 . 13 1 1 A 16 16 ASN C C 16 174.365 176.326 -1.961 1
1 51 . 13 1 1 A 16 16 ASN CA C 16 52.946 56.092 -3.146 1
1 52 . 13 1 1 A 16 16 ASN CB C 16 39.266 38.860 0.406 1
1 53 . 13 1 1 A 16 16 ASN N N 16 116.873 118.038 -1.165 1
1 55 . 13 1 1 A 17 17 GLU H H 17 7.712 8.030 -0.318 1
1 56 . 13 1 1 A 17 17 GLU HA H 17 3.233 4.164 -0.931 1
1 61 . 13 1 1 A 17 17 GLU C C 17 174.415 174.699 -0.284 1
1 62 . 13 1 1 A 17 17 GLU CA C 17 54.423 55.288 -0.865 1
1 63 . 13 1 1 A 17 17 GLU CB C 17 29.911 29.132 0.779 1
1 65 . 13 1 1 A 17 17 GLU N N 17 122.673 118.395 4.278 1
1 66 . 13 1 1 A 18 18 PRO HA H 18 4.384 4.487 -0.103 1
1 73 . 13 1 1 A 18 18 PRO CA C 18 62.896 62.771 0.125 1
1 74 . 13 1 1 A 18 18 PRO CB C 18 31.963 32.178 -0.215 1
1 77 . 13 1 1 A 19 19 GLN H H 19 8.654 8.348 0.306 1
1 78 . 13 1 1 A 19 19 GLN HA H 19 4.293 4.372 -0.079 1
1 85 . 13 1 1 A 19 19 GLN C C 19 175.384 174.431 0.953 1
1 86 . 13 1 1 A 19 19 GLN CA C 19 55.057 55.233 -0.176 1
1 87 . 13 1 1 A 19 19 GLN CB C 19 29.793 29.411 0.382 1
1 89 . 13 1 1 A 19 19 GLN N N 19 122.106 118.887 3.219 1
1 91 . 13 1 1 A 20 20 LYS H H 20 8.383 8.264 0.119 1
1 92 . 13 1 1 A 20 20 LYS HA H 20 3.393 3.194 0.199 1
1 101 . 13 1 1 A 20 20 LYS C C 20 174.706 174.953 -0.247 1
1 102 . 13 1 1 A 20 20 LYS CA C 20 54.951 53.184 1.767 1
1 103 . 13 1 1 A 20 20 LYS CB C 20 31.802 33.044 -1.242 1
1 107 . 13 1 1 A 20 20 LYS N N 20 124.861 125.426 -0.565 1
1 108 . 13 1 1 A 21 21 PRO HA H 21 4.500 4.413 0.087 1
1 115 . 13 1 1 A 21 21 PRO C C 21 176.741 176.763 -0.022 1
1 116 . 13 1 1 A 21 21 PRO CA C 21 62.396 62.678 -0.282 1
1 117 . 13 1 1 A 21 21 PRO CB C 21 32.392 32.010 0.382 1
1 120 . 13 1 1 A 22 22 VAL H H 22 7.850 8.120 -0.270 1
1 121 . 13 1 1 A 22 22 VAL HA H 22 4.303 4.185 0.118 1
1 129 . 13 1 1 A 22 22 VAL C C 22 175.615 175.458 0.157 1
1 130 . 13 1 1 A 22 22 VAL CA C 22 60.967 60.898 0.069 1
1 131 . 13 1 1 A 22 22 VAL CB C 22 32.342 33.243 -0.901 1
1 134 . 13 1 1 A 22 22 VAL N N 22 115.924 117.720 -1.796 1
1 135 . 13 1 1 A 23 23 SER H H 23 8.125 8.410 -0.285 1
1 136 . 13 1 1 A 23 23 SER HA H 23 4.433 4.631 -0.198 1
1 139 . 13 1 1 A 23 23 SER C C 23 173.516 175.376 -1.860 1
1 140 . 13 1 1 A 23 23 SER CA C 23 57.590 57.416 0.174 1
1 141 . 13 1 1 A 23 23 SER CB C 23 65.578 64.633 0.945 1
1 142 . 13 1 1 A 23 23 SER N N 23 116.922 117.899 -0.977 1
1 143 . 13 1 1 A 24 24 ALA H H 24 8.707 9.017 -0.310 1
1 144 . 13 1 1 A 24 24 ALA HA H 24 4.046 4.202 -0.156 1
1 148 . 13 1 1 A 24 24 ALA C C 24 178.727 179.351 -0.624 1
1 149 . 13 1 1 A 24 24 ALA CA C 24 55.971 55.236 0.735 1
1 150 . 13 1 1 A 24 24 ALA CB C 24 18.505 18.774 -0.269 1
1 151 . 13 1 1 A 24 24 ALA N N 24 123.025 127.285 -4.260 1
1 152 . 13 1 1 A 25 25 TYR H H 25 8.119 8.062 0.057 1
1 153 . 13 1 1 A 25 25 TYR HA H 25 2.678 2.033 0.645 1
1 160 . 13 1 1 A 25 25 TYR C C 25 176.253 177.529 -1.276 1
1 161 . 13 1 1 A 25 25 TYR CA C 25 60.281 60.807 -0.526 1
1 162 . 13 1 1 A 25 25 TYR CB C 25 37.951 37.769 0.182 1
1 167 . 13 1 1 A 25 25 TYR N N 25 115.954 119.194 -3.240 1
1 168 . 13 1 1 A 26 26 ALA H H 26 7.742 7.842 -0.100 1
1 169 . 13 1 1 A 26 26 ALA HA H 26 3.758 3.592 0.166 1
1 173 . 13 1 1 A 26 26 ALA C C 26 181.489 179.475 2.014 1
1 174 . 13 1 1 A 26 26 ALA CA C 26 54.859 54.627 0.232 1
1 175 . 13 1 1 A 26 26 ALA CB C 26 18.029 17.900 0.129 1
1 176 . 13 1 1 A 26 26 ALA N N 26 121.384 121.346 0.038 1
1 177 . 13 1 1 A 27 27 LEU H H 27 7.991 8.262 -0.271 1
1 178 . 13 1 1 A 27 27 LEU HA H 27 4.023 3.992 0.031 1
1 188 . 13 1 1 A 27 27 LEU C C 27 178.625 177.875 0.750 1
1 189 . 13 1 1 A 27 27 LEU CA C 27 57.876 57.785 0.091 1
1 190 . 13 1 1 A 27 27 LEU CB C 27 42.103 41.743 0.360 1
1 194 . 13 1 1 A 27 27 LEU N N 27 120.626 118.792 1.834 1
1 195 . 13 1 1 A 28 28 PHE H H 28 7.706 7.340 0.366 1
1 196 . 13 1 1 A 28 28 PHE HA H 28 3.653 4.083 -0.430 1
1 204 . 13 1 1 A 28 28 PHE C C 28 178.640 177.337 1.303 1
1 205 . 13 1 1 A 28 28 PHE CA C 28 61.653 59.395 2.258 1
1 206 . 13 1 1 A 28 28 PHE CB C 28 39.060 39.618 -0.558 1
1 212 . 13 1 1 A 28 28 PHE N N 28 122.656 119.309 3.347 1
1 213 . 13 1 1 A 29 29 PHE H H 29 9.246 8.393 0.853 1
1 214 . 13 1 1 A 29 29 PHE HA H 29 3.483 4.002 -0.519 1
1 222 . 13 1 1 A 29 29 PHE C C 29 177.478 177.650 -0.172 1
1 223 . 13 1 1 A 29 29 PHE CA C 29 61.126 61.231 -0.105 1
1 224 . 13 1 1 A 29 29 PHE CB C 29 38.837 38.729 0.108 1
1 230 . 13 1 1 A 29 29 PHE N N 29 123.986 119.605 4.381 1
1 231 . 13 1 1 A 30 30 ARG H H 30 8.044 8.146 -0.102 1
1 232 . 13 1 1 A 30 30 ARG HA H 30 4.046 4.233 -0.187 1
1 239 . 13 1 1 A 30 30 ARG C C 30 179.156 177.458 1.698 1
1 240 . 13 1 1 A 30 30 ARG CA C 30 59.542 58.141 1.401 1
1 241 . 13 1 1 A 30 30 ARG CB C 30 30.053 29.384 0.669 1
1 244 . 13 1 1 A 30 30 ARG N N 30 119.141 118.136 1.005 1
1 245 . 13 1 1 A 31 31 ASP H H 31 7.712 8.034 -0.322 1
1 246 . 13 1 1 A 31 31 ASP HA H 31 4.523 4.472 0.051 1
1 249 . 13 1 1 A 31 31 ASP C C 31 177.850 177.568 0.282 1
1 250 . 13 1 1 A 31 31 ASP CA C 31 56.516 56.395 0.121 1
1 251 . 13 1 1 A 31 31 ASP CB C 31 40.664 40.958 -0.294 1
1 252 . 13 1 1 A 31 31 ASP N N 31 118.527 120.145 -1.618 1
1 253 . 13 1 1 A 32 32 THR H H 32 7.704 7.101 0.603 1
1 254 . 13 1 1 A 32 32 THR HA H 32 3.953 3.866 0.087 1
1 259 . 13 1 1 A 32 32 THR C C 32 175.637 175.747 -0.110 1
1 260 . 13 1 1 A 32 32 THR CA C 32 65.030 65.040 -0.010 1
1 261 . 13 1 1 A 32 32 THR CB C 32 69.195 68.645 0.550 1
1 263 . 13 1 1 A 32 32 THR N N 32 115.935 114.215 1.720 1
1 264 . 13 1 1 A 33 33 GLN H H 33 8.361 8.037 0.324 1
1 265 . 13 1 1 A 33 33 GLN HA H 33 3.373 3.669 -0.296 1
1 272 . 13 1 1 A 33 33 GLN C C 33 176.526 177.866 -1.340 1
1 273 . 13 1 1 A 33 33 GLN CA C 33 60.000 58.935 1.065 1
1 274 . 13 1 1 A 33 33 GLN CB C 33 26.827 28.416 -1.589 1
1 276 . 13 1 1 A 33 33 GLN N N 33 120.539 119.631 0.908 1
1 278 . 13 1 1 A 34 34 ALA H H 34 8.053 8.075 -0.022 1
1 279 . 13 1 1 A 34 34 ALA HA H 34 3.964 3.980 -0.016 1
1 283 . 13 1 1 A 34 34 ALA C C 34 180.762 180.033 0.729 1
1 284 . 13 1 1 A 34 34 ALA CA C 34 55.338 55.150 0.188 1
1 285 . 13 1 1 A 34 34 ALA CB C 34 17.724 18.625 -0.901 1
1 286 . 13 1 1 A 34 34 ALA N N 34 120.505 120.865 -0.360 1
1 287 . 13 1 1 A 35 35 ALA H H 35 7.763 8.033 -0.270 1
1 288 . 13 1 1 A 35 35 ALA HA H 35 4.135 4.112 0.023 1
1 292 . 13 1 1 A 35 35 ALA C C 35 180.801 180.158 0.643 1
1 293 . 13 1 1 A 35 35 ALA CA C 35 54.635 54.943 -0.308 1
1 294 . 13 1 1 A 35 35 ALA CB C 35 17.888 18.311 -0.423 1
1 295 . 13 1 1 A 35 35 ALA N N 35 122.109 120.039 2.070 1
1 296 . 13 1 1 A 36 36 ILE H H 36 7.673 7.981 -0.308 1
1 297 . 13 1 1 A 36 36 ILE HA H 36 3.753 3.645 0.108 1
1 307 . 13 1 1 A 36 36 ILE C C 36 179.213 177.870 1.343 1
1 308 . 13 1 1 A 36 36 ILE CA C 36 62.955 64.842 -1.887 1
1 309 . 13 1 1 A 36 36 ILE CB C 36 36.388 37.466 -1.078 1
1 313 . 13 1 1 A 36 36 ILE N N 36 118.252 118.601 -0.349 1
1 314 . 13 1 1 A 37 37 LYS H H 37 8.444 8.501 -0.057 1
1 315 . 13 1 1 A 37 37 LYS HA H 37 3.982 3.937 0.045 1
1 324 . 13 1 1 A 37 37 LYS C C 37 178.872 179.322 -0.450 1
1 325 . 13 1 1 A 37 37 LYS CA C 37 58.715 59.862 -1.147 1
1 326 . 13 1 1 A 37 37 LYS CB C 37 31.802 31.954 -0.152 1
1 330 . 13 1 1 A 37 37 LYS N N 37 121.415 119.349 2.066 1
1 331 . 13 1 1 A 38 38 GLY H H 38 7.873 8.514 -0.641 1
1 332 . 13 1 1 A 38 38 GLY HA2 H 38 3.849 3.727 0.122 1
1 333 . 13 1 1 A 38 38 GLY HA3 H 38 3.849 3.727 0.122 1
1 334 . 13 1 1 A 38 38 GLY C C 38 175.341 176.235 -0.894 1
1 335 . 13 1 1 A 38 38 GLY CA C 38 46.490 47.396 -0.906 1
1 336 . 13 1 1 A 38 38 GLY N N 38 104.723 107.214 -2.491 1
1 337 . 13 1 1 A 39 39 GLN H H 39 7.288 7.693 -0.405 1
1 338 . 13 1 1 A 39 39 GLN HA H 39 4.313 4.140 0.173 1
1 345 . 13 1 1 A 39 39 GLN C C 39 175.814 176.054 -0.240 1
1 346 . 13 1 1 A 39 39 GLN CA C 39 56.482 57.793 -1.311 1
1 347 . 13 1 1 A 39 39 GLN CB C 39 30.074 28.956 1.118 1
1 349 . 13 1 1 A 39 39 GLN N N 39 117.295 120.449 -3.154 1
1 351 . 13 1 1 A 40 40 ASN H H 40 7.780 7.675 0.105 1
1 352 . 13 1 1 A 40 40 ASN HA H 40 5.159 5.187 -0.028 1
1 357 . 13 1 1 A 40 40 ASN C C 40 172.428 173.360 -0.932 1
1 358 . 13 1 1 A 40 40 ASN CA C 40 50.877 50.355 0.522 1
1 359 . 13 1 1 A 40 40 ASN CB C 40 39.595 38.856 0.739 1
1 360 . 13 1 1 A 40 40 ASN N N 40 115.989 116.787 -0.798 1
1 362 . 13 1 1 A 41 41 PRO HA H 41 4.523 4.357 0.166 1
1 369 . 13 1 1 A 41 41 PRO C C 41 177.550 177.322 0.228 1
1 370 . 13 1 1 A 41 41 PRO CA C 41 64.837 64.329 0.508 1
1 371 . 13 1 1 A 41 41 PRO CB C 41 32.073 31.853 0.220 1
1 374 . 13 1 1 A 42 42 ASN H H 42 8.363 8.494 -0.131 1
1 375 . 13 1 1 A 42 42 ASN HA H 42 4.853 4.455 0.398 1
1 380 . 13 1 1 A 42 42 ASN C C 42 175.387 176.439 -1.052 1
1 381 . 13 1 1 A 42 42 ASN CA C 42 52.753 55.577 -2.824 1
1 382 . 13 1 1 A 42 42 ASN CB C 42 38.879 38.765 0.114 1
1 383 . 13 1 1 A 42 42 ASN N N 42 114.677 116.118 -1.441 1
1 385 . 13 1 1 A 43 43 ALA H H 43 7.533 7.102 0.431 1
1 386 . 13 1 1 A 43 43 ALA HA H 43 4.443 4.276 0.167 1
1 390 . 13 1 1 A 43 43 ALA C C 43 178.490 177.126 1.364 1
1 391 . 13 1 1 A 43 43 ALA CA C 43 52.647 52.725 -0.078 1
1 392 . 13 1 1 A 43 43 ALA CB C 43 19.314 19.467 -0.153 1
1 393 . 13 1 1 A 43 43 ALA N N 43 124.307 122.267 2.040 1
1 394 . 13 1 1 A 44 44 THR H H 44 8.698 8.430 0.268 1
1 395 . 13 1 1 A 44 44 THR HA H 44 4.482 4.639 -0.157 1
1 400 . 13 1 1 A 44 44 THR C C 44 175.408 174.777 0.631 1
1 401 . 13 1 1 A 44 44 THR CA C 44 60.791 60.292 0.499 1
1 402 . 13 1 1 A 44 44 THR CB C 44 71.516 68.933 2.583 1
1 404 . 13 1 1 A 44 44 THR N N 44 114.309 108.873 5.436 1
1 405 . 13 1 1 A 45 45 PHE HA H 45 4.303 4.292 0.011 1
1 410 . 13 1 1 A 45 45 PHE CA C 45 61.982 60.748 1.234 1
1 411 . 13 1 1 A 45 45 PHE CB C 45 38.942 37.782 1.160 1
1 414 . 13 1 1 A 46 46 GLY HA2 H 46 3.962 3.850 0.112 1
1 415 . 13 1 1 A 46 46 GLY HA3 H 46 3.745 3.877 -0.132 1
1 416 . 13 1 1 A 46 46 GLY C C 46 176.621 176.212 0.409 1
1 417 . 13 1 1 A 46 46 GLY CA C 46 46.930 47.445 -0.515 1
1 418 . 13 1 1 A 47 47 GLU H H 47 7.692 8.115 -0.423 1
1 419 . 13 1 1 A 47 47 GLU HA H 47 4.053 4.134 -0.081 1
1 424 . 13 1 1 A 47 47 GLU C C 47 179.472 179.125 0.347 1
1 425 . 13 1 1 A 47 47 GLU CA C 47 59.296 59.330 -0.034 1
1 426 . 13 1 1 A 47 47 GLU CB C 47 29.769 29.249 0.520 1
1 428 . 13 1 1 A 47 47 GLU N N 47 123.040 121.850 1.190 1
1 429 . 13 1 1 A 48 48 VAL H H 48 8.504 7.993 0.511 1
1 430 . 13 1 1 A 48 48 VAL HA H 48 3.413 3.605 -0.192 1
1 438 . 13 1 1 A 48 48 VAL C C 48 177.640 178.356 -0.716 1
1 439 . 13 1 1 A 48 48 VAL CA C 48 67.159 66.383 0.776 1
1 440 . 13 1 1 A 48 48 VAL CB C 48 31.820 31.656 0.164 1
1 443 . 13 1 1 A 48 48 VAL N N 48 120.194 120.923 -0.729 1
1 444 . 13 1 1 A 49 49 SER H H 49 8.442 8.735 -0.293 1
1 445 . 13 1 1 A 49 49 SER HA H 49 4.093 4.246 -0.153 1
1 448 . 13 1 1 A 49 49 SER C C 49 176.016 176.513 -0.497 1
1 449 . 13 1 1 A 49 49 SER CA C 49 62.500 61.578 0.922 1
1 450 . 13 1 1 A 49 49 SER CB C 49 62.653 63.245 -0.592 1
1 451 . 13 1 1 A 49 49 SER N N 49 113.484 114.608 -1.124 1
1 452 . 13 1 1 A 50 50 LYS H H 50 7.474 8.131 -0.657 1
1 453 . 13 1 1 A 50 50 LYS HA H 50 4.132 4.119 0.013 1
1 462 . 13 1 1 A 50 50 LYS C C 50 179.463 178.964 0.499 1
1 463 . 13 1 1 A 50 50 LYS CA C 50 59.525 59.258 0.267 1
1 464 . 13 1 1 A 50 50 LYS CB C 50 32.606 32.298 0.308 1
1 468 . 13 1 1 A 50 50 LYS N N 50 120.865 121.235 -0.370 1
1 469 . 13 1 1 A 51 51 ILE H H 51 7.853 7.592 0.261 1
1 470 . 13 1 1 A 51 51 ILE HA H 51 3.793 3.744 0.049 1
1 480 . 13 1 1 A 51 51 ILE C C 51 179.105 177.794 1.311 1
1 481 . 13 1 1 A 51 51 ILE CA C 51 65.488 64.912 0.576 1
1 482 . 13 1 1 A 51 51 ILE CB C 51 38.603 38.047 0.556 1
1 486 . 13 1 1 A 51 51 ILE N N 51 121.720 120.257 1.463 1
1 487 . 13 1 1 A 52 52 VAL H H 52 8.703 7.820 0.883 1
1 488 . 13 1 1 A 52 52 VAL HA H 52 3.659 3.707 -0.048 1
1 496 . 13 1 1 A 52 52 VAL C C 52 178.262 178.165 0.097 1
1 497 . 13 1 1 A 52 52 VAL CA C 52 67.388 66.900 0.488 1
1 498 . 13 1 1 A 52 52 VAL CB C 52 31.185 31.521 -0.336 1
1 501 . 13 1 1 A 52 52 VAL N N 52 121.006 119.980 1.026 1
1 502 . 13 1 1 A 53 53 ALA H H 53 8.343 8.370 -0.027 1
1 503 . 13 1 1 A 53 53 ALA HA H 53 4.412 4.122 0.290 1
1 507 . 13 1 1 A 53 53 ALA C C 53 180.884 179.821 1.063 1
1 508 . 13 1 1 A 53 53 ALA CA C 53 56.271 55.649 0.622 1
1 509 . 13 1 1 A 53 53 ALA CB C 53 17.888 18.569 -0.681 1
1 510 . 13 1 1 A 53 53 ALA N N 53 122.645 122.340 0.305 1
1 511 . 13 1 1 A 54 54 SER H H 54 7.905 8.209 -0.304 1
1 512 . 13 1 1 A 54 54 SER HA H 54 4.415 4.238 0.177 1
1 515 . 13 1 1 A 54 54 SER C C 54 177.818 177.372 0.446 1
1 516 . 13 1 1 A 54 54 SER CA C 54 61.635 61.455 0.180 1
1 517 . 13 1 1 A 54 54 SER CB C 54 62.947 62.555 0.392 1
1 518 . 13 1 1 A 54 54 SER N N 54 114.062 113.067 0.995 1
1 519 . 13 1 1 A 55 55 MET H H 55 8.553 8.756 -0.203 1
1 520 . 13 1 1 A 55 55 MET HA H 55 4.194 4.202 -0.008 1
1 528 . 13 1 1 A 55 55 MET C C 55 179.156 178.447 0.709 1
1 529 . 13 1 1 A 55 55 MET CA C 55 59.190 58.776 0.414 1
1 530 . 13 1 1 A 55 55 MET CB C 55 33.551 33.954 -0.403 1
1 533 . 13 1 1 A 55 55 MET N N 55 123.394 119.509 3.885 1
1 534 . 13 1 1 A 56 56 TRP H H 56 8.864 8.877 -0.013 1
1 535 . 13 1 1 A 56 56 TRP HA H 56 3.899 3.691 0.208 1
1 544 . 13 1 1 A 56 56 TRP C C 56 178.213 178.561 -0.348 1
1 545 . 13 1 1 A 56 56 TRP CA C 56 59.806 61.271 -1.465 1
1 546 . 13 1 1 A 56 56 TRP CB C 56 30.281 29.510 0.771 1
1 552 . 13 1 1 A 56 56 TRP N N 56 121.428 122.625 -1.197 1
1 554 . 13 1 1 A 57 57 ASP H H 57 8.061 8.138 -0.077 1
1 555 . 13 1 1 A 57 57 ASP HA H 57 4.253 4.306 -0.053 1
1 558 . 13 1 1 A 57 57 ASP C C 57 178.103 177.441 0.662 1
1 559 . 13 1 1 A 57 57 ASP CA C 57 57.186 57.090 0.096 1
1 560 . 13 1 1 A 57 57 ASP CB C 57 40.705 40.981 -0.276 1
1 561 . 13 1 1 A 57 57 ASP N N 57 117.661 118.873 -1.212 1
1 562 . 13 1 1 A 58 58 GLY H H 58 7.481 7.789 -0.308 1
1 563 . 13 1 1 A 58 58 GLY HA2 H 58 4.202 3.921 0.281 1
1 564 . 13 1 1 A 58 58 GLY HA3 H 58 3.672 3.956 -0.284 1
1 565 . 13 1 1 A 58 58 GLY C C 58 174.062 173.398 0.664 1
1 566 . 13 1 1 A 58 58 GLY CA C 58 44.872 45.333 -0.461 1
1 567 . 13 1 1 A 58 58 GLY N N 58 103.794 106.265 -2.471 1
1 568 . 13 1 1 A 59 59 LEU H H 59 7.153 7.333 -0.180 1
1 569 . 13 1 1 A 59 59 LEU HA H 59 4.123 4.331 -0.208 1
1 579 . 13 1 1 A 59 59 LEU C C 59 177.880 176.883 0.997 1
1 580 . 13 1 1 A 59 59 LEU CA C 59 55.114 54.023 1.091 1
1 581 . 13 1 1 A 59 59 LEU CB C 59 43.149 42.610 0.539 1
1 585 . 13 1 1 A 59 59 LEU N N 59 123.874 121.603 2.271 1
1 586 . 13 1 1 A 60 60 GLY H H 60 8.523 8.473 0.050 1
1 587 . 13 1 1 A 60 60 GLY HA2 H 60 4.091 3.971 0.120 1
1 588 . 13 1 1 A 60 60 GLY HA3 H 60 3.993 3.990 0.003 1
1 589 . 13 1 1 A 60 60 GLY C C 60 174.634 174.747 -0.113 1
1 590 . 13 1 1 A 60 60 GLY CA C 60 44.995 45.233 -0.238 1
1 591 . 13 1 1 A 60 60 GLY N N 60 110.475 108.799 1.676 1
1 592 . 13 1 1 A 61 61 GLU H H 61 8.743 8.543 0.200 1
1 593 . 13 1 1 A 61 61 GLU HA H 61 3.873 3.833 0.040 1
1 598 . 13 1 1 A 61 61 GLU C C 61 178.841 178.470 0.371 1
1 599 . 13 1 1 A 61 61 GLU CA C 61 59.577 59.544 0.033 1
1 600 . 13 1 1 A 61 61 GLU CB C 61 29.299 29.468 -0.169 1
1 602 . 13 1 1 A 61 61 GLU N N 61 122.609 122.270 0.339 1
1 603 . 13 1 1 A 62 62 GLU H H 62 9.063 8.179 0.884 1
1 604 . 13 1 1 A 62 62 GLU HA H 62 4.033 4.016 0.017 1
1 609 . 13 1 1 A 62 62 GLU C C 62 179.086 179.118 -0.032 1
1 610 . 13 1 1 A 62 62 GLU CA C 62 59.841 59.503 0.338 1
1 611 . 13 1 1 A 62 62 GLU CB C 62 28.660 29.059 -0.399 1
1 613 . 13 1 1 A 62 62 GLU N N 62 118.089 119.223 -1.134 1
1 614 . 13 1 1 A 63 63 GLN H H 63 7.563 7.789 -0.226 1
1 615 . 13 1 1 A 63 63 GLN HA H 63 4.282 3.969 0.313 1
1 622 . 13 1 1 A 63 63 GLN C C 63 179.406 178.902 0.504 1
1 623 . 13 1 1 A 63 63 GLN CA C 63 59.050 58.691 0.359 1
1 624 . 13 1 1 A 63 63 GLN CB C 63 29.089 28.115 0.974 1
1 626 . 13 1 1 A 63 63 GLN N N 63 118.216 118.757 -0.541 1
1 628 . 13 1 1 A 64 64 LYS H H 64 8.193 7.863 0.330 1
1 629 . 13 1 1 A 64 64 LYS HA H 64 3.933 4.091 -0.158 1
1 638 . 13 1 1 A 64 64 LYS C C 64 179.858 179.173 0.685 1
1 639 . 13 1 1 A 64 64 LYS CA C 64 60.774 59.734 1.040 1
1 640 . 13 1 1 A 64 64 LYS CB C 64 33.100 31.872 1.228 1
1 644 . 13 1 1 A 64 64 LYS N N 64 119.928 120.330 -0.402 1
1 645 . 13 1 1 A 65 65 GLN H H 65 8.459 7.749 0.710 1
1 646 . 13 1 1 A 65 65 GLN HA H 65 4.056 4.098 -0.042 1
1 653 . 13 1 1 A 65 65 GLN C C 65 177.751 178.112 -0.361 1
1 654 . 13 1 1 A 65 65 GLN CA C 65 58.891 58.775 0.116 1
1 655 . 13 1 1 A 65 65 GLN CB C 65 28.167 28.467 -0.300 1
1 657 . 13 1 1 A 65 65 GLN N N 65 117.874 119.405 -1.531 1
1 659 . 13 1 1 A 66 66 VAL H H 66 7.408 7.839 -0.431 1
1 660 . 13 1 1 A 66 66 VAL HA H 66 3.653 3.720 -0.067 1
1 668 . 13 1 1 A 66 66 VAL C C 66 178.900 177.501 1.399 1
1 669 . 13 1 1 A 66 66 VAL CA C 66 66.860 65.358 1.502 1
1 670 . 13 1 1 A 66 66 VAL CB C 66 31.784 31.536 0.248 1
1 673 . 13 1 1 A 66 66 VAL N N 66 119.348 120.741 -1.393 1
1 674 . 13 1 1 A 67 67 TYR H H 67 7.229 7.559 -0.330 1
1 675 . 13 1 1 A 67 67 TYR HA H 67 4.151 4.397 -0.246 1
1 682 . 13 1 1 A 67 67 TYR C C 67 178.776 178.522 0.254 1
1 683 . 13 1 1 A 67 67 TYR CA C 67 63.307 61.314 1.993 1
1 684 . 13 1 1 A 67 67 TYR CB C 67 39.308 38.193 1.115 1
1 689 . 13 1 1 A 67 67 TYR N N 67 117.638 120.888 -3.250 1
1 690 . 13 1 1 A 68 68 LYS H H 68 8.554 8.617 -0.063 1
1 691 . 13 1 1 A 68 68 LYS HA H 68 4.195 4.101 0.094 1
1 698 . 13 1 1 A 68 68 LYS C C 68 179.468 179.864 -0.396 1
1 699 . 13 1 1 A 68 68 LYS CA C 68 60.703 59.569 1.134 1
1 700 . 13 1 1 A 68 68 LYS CB C 68 32.154 32.529 -0.375 1
1 704 . 13 1 1 A 68 68 LYS N N 68 121.795 119.334 2.461 1
1 705 . 13 1 1 A 69 69 LYS H H 69 8.883 8.131 0.752 1
1 706 . 13 1 1 A 69 69 LYS HA H 69 4.171 4.024 0.147 1
1 715 . 13 1 1 A 69 69 LYS C C 69 180.214 179.448 0.766 1
1 716 . 13 1 1 A 69 69 LYS CA C 69 59.824 59.730 0.094 1
1 717 . 13 1 1 A 69 69 LYS CB C 69 32.072 32.425 -0.353 1
1 721 . 13 1 1 A 69 69 LYS N N 69 120.539 119.916 0.623 1
1 722 . 13 1 1 A 70 70 LYS H H 70 7.791 8.018 -0.227 1
1 723 . 13 1 1 A 70 70 LYS HA H 70 4.211 4.092 0.119 1
1 732 . 13 1 1 A 70 70 LYS C C 70 179.985 179.274 0.711 1
1 733 . 13 1 1 A 70 70 LYS CA C 70 60.017 59.456 0.561 1
1 734 . 13 1 1 A 70 70 LYS CB C 70 33.200 32.382 0.818 1
1 738 . 13 1 1 A 70 70 LYS N N 70 119.946 119.923 0.023 1
1 739 . 13 1 1 A 71 71 THR H H 71 8.002 8.050 -0.048 1
1 740 . 13 1 1 A 71 71 THR HA H 71 4.301 3.924 0.377 1
1 745 . 13 1 1 A 71 71 THR C C 71 176.462 176.667 -0.205 1
1 746 . 13 1 1 A 71 71 THR CA C 71 66.402 66.277 0.125 1
1 747 . 13 1 1 A 71 71 THR CB C 71 68.949 68.748 0.201 1
1 749 . 13 1 1 A 71 71 THR N N 71 116.183 114.695 1.488 1
1 750 . 13 1 1 A 72 72 GLU H H 72 8.295 7.770 0.525 1
1 751 . 13 1 1 A 72 72 GLU HA H 72 4.143 4.100 0.043 1
1 756 . 13 1 1 A 72 72 GLU C C 72 179.498 179.407 0.091 1
1 757 . 13 1 1 A 72 72 GLU CA C 72 59.665 59.066 0.599 1
1 758 . 13 1 1 A 72 72 GLU CB C 72 29.400 29.758 -0.358 1
1 760 . 13 1 1 A 72 72 GLU N N 72 123.438 119.615 3.823 1
1 761 . 13 1 1 A 73 73 ALA H H 73 8.063 8.179 -0.116 1
1 762 . 13 1 1 A 73 73 ALA HA H 73 4.262 4.092 0.170 1
1 766 . 13 1 1 A 73 73 ALA C C 73 180.639 179.095 1.544 1
1 767 . 13 1 1 A 73 73 ALA CA C 73 55.268 54.537 0.731 1
1 768 . 13 1 1 A 73 73 ALA CB C 73 17.824 18.061 -0.237 1
1 769 . 13 1 1 A 73 73 ALA N N 73 122.231 123.125 -0.894 1
1 770 . 13 1 1 A 74 74 ALA H H 74 8.093 7.995 0.098 1
1 771 . 13 1 1 A 74 74 ALA HA H 74 4.320 4.304 0.016 1
1 775 . 13 1 1 A 74 74 ALA C C 74 181.394 179.522 1.872 1
1 776 . 13 1 1 A 74 74 ALA CA C 74 54.904 54.075 0.829 1
1 777 . 13 1 1 A 74 74 ALA CB C 74 18.313 19.166 -0.853 1
1 778 . 13 1 1 A 74 74 ALA N N 74 121.882 119.586 2.296 1
1 779 . 13 1 1 A 75 75 LYS H H 75 8.661 8.122 0.539 1
1 780 . 13 1 1 A 75 75 LYS HA H 75 4.053 4.123 -0.070 1
1 786 . 13 1 1 A 75 75 LYS C C 75 178.096 178.718 -0.622 1
1 787 . 13 1 1 A 75 75 LYS CA C 75 60.510 59.580 0.930 1
1 788 . 13 1 1 A 75 75 LYS CB C 75 32.236 32.142 0.094 1
1 792 . 13 1 1 A 75 75 LYS N N 75 121.652 118.374 3.278 1
1 793 . 13 1 1 A 76 76 LYS H H 76 7.855 8.221 -0.366 1
1 794 . 13 1 1 A 76 76 LYS HA H 76 4.110 3.960 0.150 1
1 799 . 13 1 1 A 76 76 LYS C C 76 179.822 178.759 1.063 1
1 800 . 13 1 1 A 76 76 LYS CA C 76 59.993 60.012 -0.019 1
1 801 . 13 1 1 A 76 76 LYS CB C 76 32.401 32.144 0.257 1
1 805 . 13 1 1 A 76 76 LYS N N 76 119.219 118.716 0.503 1
1 806 . 13 1 1 A 77 77 GLU H H 77 7.880 8.241 -0.361 1
1 807 . 13 1 1 A 77 77 GLU HA H 77 4.233 4.076 0.157 1
1 812 . 13 1 1 A 77 77 GLU C C 77 178.358 178.144 0.214 1
1 813 . 13 1 1 A 77 77 GLU CA C 77 58.980 59.267 -0.287 1
1 814 . 13 1 1 A 77 77 GLU CB C 77 29.235 29.328 -0.093 1
1 816 . 13 1 1 A 77 77 GLU N N 77 119.640 118.268 1.372 1
1 817 . 13 1 1 A 78 78 TYR H H 78 8.391 8.075 0.316 1
1 818 . 13 1 1 A 78 78 TYR HA H 78 4.413 4.080 0.333 1
1 825 . 13 1 1 A 78 78 TYR C C 78 176.737 177.090 -0.353 1
1 826 . 13 1 1 A 78 78 TYR CA C 78 60.809 61.412 -0.603 1
1 827 . 13 1 1 A 78 78 TYR CB C 78 38.239 38.715 -0.476 1
1 832 . 13 1 1 A 78 78 TYR N N 78 121.464 122.025 -0.561 1
1 833 . 13 1 1 A 79 79 LEU H H 79 8.203 8.120 0.083 1
1 834 . 13 1 1 A 79 79 LEU HA H 79 3.764 3.519 0.245 1
1 844 . 13 1 1 A 79 79 LEU C C 79 180.728 179.128 1.600 1
1 845 . 13 1 1 A 79 79 LEU CA C 79 58.170 57.759 0.411 1
1 846 . 13 1 1 A 79 79 LEU CB C 79 41.445 41.376 0.069 1
1 850 . 13 1 1 A 79 79 LEU N N 79 118.433 119.886 -1.453 1
1 851 . 13 1 1 A 80 80 LYS H H 80 7.523 7.924 -0.401 1
1 852 . 13 1 1 A 80 80 LYS HA H 80 4.134 3.818 0.316 1
1 861 . 13 1 1 A 80 80 LYS C C 80 179.804 179.856 -0.052 1
1 862 . 13 1 1 A 80 80 LYS CA C 80 59.630 60.359 -0.729 1
1 863 . 13 1 1 A 80 80 LYS CB C 80 32.400 32.280 0.120 1
1 867 . 13 1 1 A 80 80 LYS N N 80 120.723 117.613 3.110 1
1 868 . 13 1 1 A 81 81 GLN H H 81 8.473 8.334 0.139 1
1 869 . 13 1 1 A 81 81 GLN HA H 81 4.144 4.035 0.109 1
1 876 . 13 1 1 A 81 81 GLN C C 81 179.906 178.576 1.330 1
1 877 . 13 1 1 A 81 81 GLN CA C 81 58.628 58.722 -0.094 1
1 878 . 13 1 1 A 81 81 GLN CB C 81 28.273 27.851 0.422 1
1 880 . 13 1 1 A 81 81 GLN N N 81 120.899 118.650 2.249 1
1 882 . 13 1 1 A 82 82 LEU H H 82 9.233 7.846 1.387 1
1 883 . 13 1 1 A 82 82 LEU HA H 82 3.963 4.117 -0.154 1
1 893 . 13 1 1 A 82 82 LEU C C 82 178.293 178.383 -0.090 1
1 894 . 13 1 1 A 82 82 LEU CA C 82 57.959 57.737 0.222 1
1 895 . 13 1 1 A 82 82 LEU CB C 82 42.044 41.125 0.919 1
1 899 . 13 1 1 A 82 82 LEU N N 82 123.463 121.620 1.843 1
1 900 . 13 1 1 A 83 83 ALA H H 83 7.732 8.411 -0.679 1
1 901 . 13 1 1 A 83 83 ALA HA H 83 4.223 3.961 0.262 1
1 905 . 13 1 1 A 83 83 ALA C C 83 180.853 179.400 1.453 1
1 906 . 13 1 1 A 83 83 ALA CA C 83 54.944 55.208 -0.264 1
1 907 . 13 1 1 A 83 83 ALA CB C 83 17.765 17.866 -0.101 1
1 908 . 13 1 1 A 83 83 ALA N N 83 120.956 120.513 0.443 1
1 909 . 13 1 1 A 84 84 ALA H H 84 7.716 7.361 0.355 1
1 910 . 13 1 1 A 84 84 ALA HA H 84 4.135 4.249 -0.114 1
1 914 . 13 1 1 A 84 84 ALA C C 84 180.256 179.108 1.148 1
1 915 . 13 1 1 A 84 84 ALA CA C 84 55.234 54.435 0.799 1
1 916 . 13 1 1 A 84 84 ALA CB C 84 17.806 19.103 -1.297 1
1 917 . 13 1 1 A 84 84 ALA N N 84 121.082 119.765 1.317 1
1 918 . 13 1 1 A 85 85 TYR H H 85 8.453 8.876 -0.423 1
1 919 . 13 1 1 A 85 85 TYR HA H 85 4.310 3.996 0.314 1
1 926 . 13 1 1 A 85 85 TYR C C 85 178.538 177.306 1.232 1
1 927 . 13 1 1 A 85 85 TYR CA C 85 60.862 62.281 -1.419 1
1 928 . 13 1 1 A 85 85 TYR CB C 85 38.444 38.669 -0.225 1
1 933 . 13 1 1 A 85 85 TYR N N 85 121.359 120.245 1.114 1
1 934 . 13 1 1 A 86 86 ARG H H 86 8.734 7.760 0.974 1
1 935 . 13 1 1 A 86 86 ARG HA H 86 3.713 3.632 0.081 1
1 942 . 13 1 1 A 86 86 ARG C C 86 178.962 178.357 0.605 1
1 943 . 13 1 1 A 86 86 ARG CA C 86 59.454 59.322 0.132 1
1 944 . 13 1 1 A 86 86 ARG CB C 86 29.605 29.836 -0.231 1
1 947 . 13 1 1 A 86 86 ARG N N 86 119.740 117.817 1.923 1
1 948 . 13 1 1 A 87 87 ALA H H 87 7.853 8.326 -0.473 1
1 949 . 13 1 1 A 87 87 ALA HA H 87 4.195 3.972 0.223 1
1 953 . 13 1 1 A 87 87 ALA C C 87 179.605 179.777 -0.172 1
1 954 . 13 1 1 A 87 87 ALA CA C 87 54.353 55.146 -0.793 1
1 955 . 13 1 1 A 87 87 ALA CB C 87 17.971 18.754 -0.783 1
1 956 . 13 1 1 A 87 87 ALA N N 87 120.667 122.131 -1.464 1
1 957 . 13 1 1 A 88 88 SER H H 88 7.763 7.605 0.158 1
1 958 . 13 1 1 A 88 88 SER HA H 88 4.347 4.022 0.325 1
1 961 . 13 1 1 A 88 88 SER C C 88 175.219 176.569 -1.350 1
1 962 . 13 1 1 A 88 88 SER CA C 88 60.158 61.297 -1.139 1
1 963 . 13 1 1 A 88 88 SER CB C 88 63.440 63.085 0.355 1
1 964 . 13 1 1 A 88 88 SER N N 88 114.332 113.234 1.098 1
1 965 . 13 1 1 A 89 89 LEU H H 89 7.344 7.808 -0.464 1
1 966 . 13 1 1 A 89 89 LEU HA H 89 4.163 4.121 0.042 1
1 976 . 13 1 1 A 89 89 LEU C C 89 178.335 176.961 1.374 1
1 977 . 13 1 1 A 89 89 LEU CA C 89 56.059 56.694 -0.635 1
1 978 . 13 1 1 A 89 89 LEU CB C 89 42.062 42.560 -0.498 1
1 982 . 13 1 1 A 89 89 LEU N N 89 121.862 119.135 2.727 1
1 983 . 13 1 1 A 90 90 VAL H H 90 7.533 7.632 -0.099 1
1 984 . 13 1 1 A 90 90 VAL HA H 90 4.063 3.970 0.093 1
1 992 . 13 1 1 A 90 90 VAL C C 90 176.743 176.126 0.617 1
1 993 . 13 1 1 A 90 90 VAL CA C 90 63.183 61.627 1.556 1
1 994 . 13 1 1 A 90 90 VAL CB C 90 32.318 32.573 -0.255 1
1 997 . 13 1 1 A 90 90 VAL N N 90 117.748 118.145 -0.397 1
1 998 . 13 1 1 A 91 91 SER H H 91 8.059 8.635 -0.576 1
1 999 . 13 1 1 A 91 91 SER HA H 91 4.415 4.256 0.159 1
1 1002 . 13 1 1 A 91 91 SER C C 91 174.854 175.384 -0.530 1
1 1003 . 13 1 1 A 91 91 SER CA C 91 58.861 61.201 -2.340 1
1 1004 . 13 1 1 A 91 91 SER CB C 91 63.810 63.195 0.615 1
1 1005 . 13 1 1 A 91 91 SER N N 91 117.663 116.365 1.298 1
1 1006 . 13 1 1 A 92 92 LYS H H 92 8.158 7.555 0.603 1
1 1007 . 13 1 1 A 92 92 LYS HA H 92 4.329 4.287 0.042 1
1 1010 . 13 1 1 A 92 92 LYS C C 92 176.528 177.090 -0.562 1
1 1011 . 13 1 1 A 92 92 LYS CA C 92 56.551 57.168 -0.617 1
1 1012 . 13 1 1 A 92 92 LYS CB C 92 32.771 32.544 0.227 1
1 1016 . 13 1 1 A 92 92 LYS N N 92 122.827 122.369 0.458 1
1 1017 . 13 1 1 A 93 93 SER H H 93 8.186 8.914 -0.728 1
1 1018 . 13 1 1 A 93 93 SER HA H 93 4.444 4.173 0.271 1
1 1021 . 13 1 1 A 93 93 SER C C 93 174.271 172.960 1.311 1
1 1022 . 13 1 1 A 93 93 SER CA C 93 58.504 59.124 -0.620 1
1 1023 . 13 1 1 A 93 93 SER CB C 93 63.933 61.947 1.986 1
1 1024 . 13 1 1 A 93 93 SER N N 93 116.068 117.351 -1.283 1
1 1025 . 13 1 1 A 94 94 TYR H H 94 8.146 8.295 -0.149 1
1 1026 . 13 1 1 A 94 94 TYR HA H 94 4.658 4.758 -0.100 1
1 1033 . 13 1 1 A 94 94 TYR C C 94 176.011 177.063 -1.052 1
1 1034 . 13 1 1 A 94 94 TYR CA C 94 58.135 57.754 0.381 1
1 1035 . 13 1 1 A 94 94 TYR CB C 94 38.855 38.894 -0.039 1
1 1040 . 13 1 1 A 94 94 TYR N N 94 122.150 125.370 -3.220 1
1 1041 . 13 1 1 A 95 95 THR H H 95 8.024 8.671 -0.647 1
1 1042 . 13 1 1 A 95 95 THR HA H 95 4.333 3.889 0.444 1
1 1047 . 13 1 1 A 95 95 THR C C 95 174.054 174.795 -0.741 1
1 1048 . 13 1 1 A 95 95 THR CA C 95 61.740 67.005 -5.265 1
1 1049 . 13 1 1 A 95 95 THR CB C 95 69.977 68.895 1.082 1
1 1051 . 13 1 1 A 95 95 THR N N 95 115.298 121.073 -5.775 1
1 1052 . 13 1 1 A 96 96 ASP H H 96 8.288 8.311 -0.023 1
1 1053 . 13 1 1 A 96 96 ASP HA H 96 4.663 4.264 0.399 1
1 1056 . 13 1 1 A 96 96 ASP C C 96 176.252 174.759 1.493 1
1 1057 . 13 1 1 A 96 96 ASP CA C 96 54.494 54.852 -0.358 1
1 1058 . 13 1 1 A 96 96 ASP CB C 96 41.404 39.426 1.978 1
1 1059 . 13 1 1 A 96 96 ASP N N 96 122.969 121.702 1.267 1
1 1060 . 13 1 1 A 97 97 SER H H 97 8.272 8.250 0.022 1
1 1061 . 13 1 1 A 97 97 SER HA H 97 4.500 4.898 -0.398 1
1 1063 . 13 1 1 A 97 97 SER C C 97 174.845 172.359 2.486 1
1 1064 . 13 1 1 A 97 97 SER CA C 97 58.522 57.417 1.105 1
1 1065 . 13 1 1 A 97 97 SER CB C 97 63.656 65.707 -2.051 1
1 1066 . 13 1 1 A 97 97 SER N N 97 116.137 116.095 0.042 1
1 1067 . 13 1 1 A 98 98 GLY H H 98 8.289 8.410 -0.121 1
1 1068 . 13 1 1 A 98 98 GLY HA2 H 98 4.123 4.296 -0.173 1
1 1069 . 13 1 1 A 98 98 GLY HA3 H 98 4.123 4.300 -0.177 1
1 1070 . 13 1 1 A 98 98 GLY C C 98 171.920 171.093 0.827 1
1 1071 . 13 1 1 A 98 98 GLY CA C 98 44.748 45.359 -0.611 1
1 1072 . 13 1 1 A 98 98 GLY N N 98 110.751 109.522 1.229 1
1 1073 . 13 1 1 A 99 99 PRO HA H 99 4.490 4.609 -0.119 1
1 1080 . 13 1 1 A 99 99 PRO CA C 99 63.373 62.761 0.612 1
1 1081 . 13 1 1 A 99 99 PRO CB C 99 32.247 32.312 -0.065 1
1 1 . 14 1 1 A 12 12 LYS HA H 12 4.317 4.305 0.012 1
1 6 . 14 1 1 A 12 12 LYS C C 12 176.329 175.981 0.348 1
1 7 . 14 1 1 A 12 12 LYS CA C 12 56.223 57.752 -1.529 1
1 8 . 14 1 1 A 12 12 LYS CB C 12 33.117 34.249 -1.132 1
1 12 . 14 1 1 A 13 13 LYS H H 13 8.394 8.095 0.299 1
1 13 . 14 1 1 A 13 13 LYS HA H 13 4.273 4.293 -0.020 1
1 18 . 14 1 1 A 13 13 LYS C C 13 175.990 175.830 0.160 1
1 19 . 14 1 1 A 13 13 LYS CA C 13 56.222 58.456 -2.234 1
1 20 . 14 1 1 A 13 13 LYS CB C 13 33.223 31.499 1.724 1
1 24 . 14 1 1 A 13 13 LYS N N 13 123.900 117.897 6.003 1
1 25 . 14 1 1 A 14 14 ASP H H 14 8.625 9.174 -0.549 1
1 26 . 14 1 1 A 14 14 ASP HA H 14 4.902 4.198 0.704 1
1 29 . 14 1 1 A 14 14 ASP CA C 14 51.958 54.731 -2.773 1
1 30 . 14 1 1 A 14 14 ASP CB C 14 41.422 39.224 2.198 1
1 31 . 14 1 1 A 14 14 ASP N N 14 124.861 118.187 6.674 1
1 32 . 14 1 1 A 15 15 PRO HA H 15 4.442 4.429 0.013 1
1 39 . 14 1 1 A 15 15 PRO C C 15 176.634 175.679 0.955 1
1 40 . 14 1 1 A 15 15 PRO CA C 15 63.606 63.986 -0.380 1
1 41 . 14 1 1 A 15 15 PRO CB C 15 32.323 31.823 0.500 1
1 44 . 14 1 1 A 16 16 ASN H H 16 8.414 7.534 0.880 1
1 45 . 14 1 1 A 16 16 ASN HA H 16 4.683 4.977 -0.294 1
1 50 . 14 1 1 A 16 16 ASN C C 16 174.365 174.272 0.093 1
1 51 . 14 1 1 A 16 16 ASN CA C 16 52.946 52.276 0.670 1
1 52 . 14 1 1 A 16 16 ASN CB C 16 39.266 40.695 -1.429 1
1 53 . 14 1 1 A 16 16 ASN N N 16 116.873 111.516 5.357 1
1 55 . 14 1 1 A 17 17 GLU H H 17 7.712 8.482 -0.770 1
1 56 . 14 1 1 A 17 17 GLU HA H 17 3.233 3.733 -0.500 1
1 61 . 14 1 1 A 17 17 GLU C C 17 174.415 174.984 -0.569 1
1 62 . 14 1 1 A 17 17 GLU CA C 17 54.423 56.895 -2.472 1
1 63 . 14 1 1 A 17 17 GLU CB C 17 29.911 28.820 1.091 1
1 65 . 14 1 1 A 17 17 GLU N N 17 122.673 119.100 3.573 1
1 66 . 14 1 1 A 18 18 PRO HA H 18 4.384 4.520 -0.136 1
1 73 . 14 1 1 A 18 18 PRO CA C 18 62.896 62.725 0.171 1
1 74 . 14 1 1 A 18 18 PRO CB C 18 31.963 32.466 -0.503 1
1 77 . 14 1 1 A 19 19 GLN H H 19 8.654 8.471 0.183 1
1 78 . 14 1 1 A 19 19 GLN HA H 19 4.293 4.564 -0.271 1
1 85 . 14 1 1 A 19 19 GLN C C 19 175.384 174.725 0.659 1
1 86 . 14 1 1 A 19 19 GLN CA C 19 55.057 54.800 0.257 1
1 87 . 14 1 1 A 19 19 GLN CB C 19 29.793 31.731 -1.938 1
1 89 . 14 1 1 A 19 19 GLN N N 19 122.106 119.574 2.532 1
1 91 . 14 1 1 A 20 20 LYS H H 20 8.383 8.217 0.166 1
1 92 . 14 1 1 A 20 20 LYS HA H 20 3.393 3.031 0.362 1
1 101 . 14 1 1 A 20 20 LYS C C 20 174.706 175.060 -0.354 1
1 102 . 14 1 1 A 20 20 LYS CA C 20 54.951 53.744 1.207 1
1 103 . 14 1 1 A 20 20 LYS CB C 20 31.802 32.626 -0.824 1
1 107 . 14 1 1 A 20 20 LYS N N 20 124.861 123.451 1.410 1
1 108 . 14 1 1 A 21 21 PRO HA H 21 4.500 4.477 0.023 1
1 115 . 14 1 1 A 21 21 PRO C C 21 176.741 176.412 0.329 1
1 116 . 14 1 1 A 21 21 PRO CA C 21 62.396 62.471 -0.075 1
1 117 . 14 1 1 A 21 21 PRO CB C 21 32.392 32.115 0.277 1
1 120 . 14 1 1 A 22 22 VAL H H 22 7.850 8.198 -0.348 1
1 121 . 14 1 1 A 22 22 VAL HA H 22 4.303 4.420 -0.117 1
1 129 . 14 1 1 A 22 22 VAL C C 22 175.615 175.462 0.153 1
1 130 . 14 1 1 A 22 22 VAL CA C 22 60.967 59.559 1.408 1
1 131 . 14 1 1 A 22 22 VAL CB C 22 32.342 34.064 -1.722 1
1 134 . 14 1 1 A 22 22 VAL N N 22 115.924 115.904 0.020 1
1 135 . 14 1 1 A 23 23 SER H H 23 8.125 8.529 -0.404 1
1 136 . 14 1 1 A 23 23 SER HA H 23 4.433 4.530 -0.097 1
1 139 . 14 1 1 A 23 23 SER C C 23 173.516 175.433 -1.917 1
1 140 . 14 1 1 A 23 23 SER CA C 23 57.590 58.454 -0.864 1
1 141 . 14 1 1 A 23 23 SER CB C 23 65.578 64.210 1.368 1
1 142 . 14 1 1 A 23 23 SER N N 23 116.922 117.817 -0.895 1
1 143 . 14 1 1 A 24 24 ALA H H 24 8.707 8.892 -0.185 1
1 144 . 14 1 1 A 24 24 ALA HA H 24 4.046 4.356 -0.310 1
1 148 . 14 1 1 A 24 24 ALA C C 24 178.727 179.204 -0.477 1
1 149 . 14 1 1 A 24 24 ALA CA C 24 55.971 55.232 0.739 1
1 150 . 14 1 1 A 24 24 ALA CB C 24 18.505 18.905 -0.400 1
1 151 . 14 1 1 A 24 24 ALA N N 24 123.025 127.036 -4.011 1
1 152 . 14 1 1 A 25 25 TYR H H 25 8.119 8.069 0.050 1
1 153 . 14 1 1 A 25 25 TYR HA H 25 2.678 2.278 0.400 1
1 160 . 14 1 1 A 25 25 TYR C C 25 176.253 177.425 -1.172 1
1 161 . 14 1 1 A 25 25 TYR CA C 25 60.281 60.658 -0.377 1
1 162 . 14 1 1 A 25 25 TYR CB C 25 37.951 37.955 -0.004 1
1 167 . 14 1 1 A 25 25 TYR N N 25 115.954 119.151 -3.197 1
1 168 . 14 1 1 A 26 26 ALA H H 26 7.742 7.872 -0.130 1
1 169 . 14 1 1 A 26 26 ALA HA H 26 3.758 3.636 0.122 1
1 173 . 14 1 1 A 26 26 ALA C C 26 181.489 179.638 1.851 1
1 174 . 14 1 1 A 26 26 ALA CA C 26 54.859 54.655 0.204 1
1 175 . 14 1 1 A 26 26 ALA CB C 26 18.029 18.299 -0.270 1
1 176 . 14 1 1 A 26 26 ALA N N 26 121.384 121.204 0.180 1
1 177 . 14 1 1 A 27 27 LEU H H 27 7.991 7.860 0.131 1
1 178 . 14 1 1 A 27 27 LEU HA H 27 4.023 3.920 0.103 1
1 188 . 14 1 1 A 27 27 LEU C C 27 178.625 178.801 -0.176 1
1 189 . 14 1 1 A 27 27 LEU CA C 27 57.876 57.713 0.163 1
1 190 . 14 1 1 A 27 27 LEU CB C 27 42.103 41.674 0.429 1
1 194 . 14 1 1 A 27 27 LEU N N 27 120.626 118.362 2.264 1
1 195 . 14 1 1 A 28 28 PHE H H 28 7.706 7.500 0.206 1
1 196 . 14 1 1 A 28 28 PHE HA H 28 3.653 3.933 -0.280 1
1 204 . 14 1 1 A 28 28 PHE C C 28 178.640 177.308 1.332 1
1 205 . 14 1 1 A 28 28 PHE CA C 28 61.653 59.608 2.045 1
1 206 . 14 1 1 A 28 28 PHE CB C 28 39.060 39.225 -0.165 1
1 212 . 14 1 1 A 28 28 PHE N N 28 122.656 118.560 4.096 1
1 213 . 14 1 1 A 29 29 PHE H H 29 9.246 7.955 1.291 1
1 214 . 14 1 1 A 29 29 PHE HA H 29 3.483 3.788 -0.305 1
1 222 . 14 1 1 A 29 29 PHE C C 29 177.478 177.517 -0.039 1
1 223 . 14 1 1 A 29 29 PHE CA C 29 61.126 61.030 0.096 1
1 224 . 14 1 1 A 29 29 PHE CB C 29 38.837 38.736 0.101 1
1 230 . 14 1 1 A 29 29 PHE N N 29 123.986 119.609 4.377 1
1 231 . 14 1 1 A 30 30 ARG H H 30 8.044 8.144 -0.100 1
1 232 . 14 1 1 A 30 30 ARG HA H 30 4.046 4.164 -0.118 1
1 239 . 14 1 1 A 30 30 ARG C C 30 179.156 178.149 1.007 1
1 240 . 14 1 1 A 30 30 ARG CA C 30 59.542 58.333 1.209 1
1 241 . 14 1 1 A 30 30 ARG CB C 30 30.053 29.391 0.662 1
1 244 . 14 1 1 A 30 30 ARG N N 30 119.141 119.276 -0.135 1
1 245 . 14 1 1 A 31 31 ASP H H 31 7.712 7.460 0.252 1
1 246 . 14 1 1 A 31 31 ASP HA H 31 4.523 4.452 0.071 1
1 249 . 14 1 1 A 31 31 ASP C C 31 177.850 178.305 -0.455 1
1 250 . 14 1 1 A 31 31 ASP CA C 31 56.516 56.801 -0.285 1
1 251 . 14 1 1 A 31 31 ASP CB C 31 40.664 41.008 -0.344 1
1 252 . 14 1 1 A 31 31 ASP N N 31 118.527 119.525 -0.998 1
1 253 . 14 1 1 A 32 32 THR H H 32 7.704 7.493 0.211 1
1 254 . 14 1 1 A 32 32 THR HA H 32 3.953 3.771 0.182 1
1 259 . 14 1 1 A 32 32 THR C C 32 175.637 175.731 -0.094 1
1 260 . 14 1 1 A 32 32 THR CA C 32 65.030 66.461 -1.431 1
1 261 . 14 1 1 A 32 32 THR CB C 32 69.195 68.077 1.118 1
1 263 . 14 1 1 A 32 32 THR N N 32 115.935 116.325 -0.390 1
1 264 . 14 1 1 A 33 33 GLN H H 33 8.361 8.219 0.142 1
1 265 . 14 1 1 A 33 33 GLN HA H 33 3.373 3.714 -0.341 1
1 272 . 14 1 1 A 33 33 GLN C C 33 176.526 178.009 -1.483 1
1 273 . 14 1 1 A 33 33 GLN CA C 33 60.000 58.836 1.164 1
1 274 . 14 1 1 A 33 33 GLN CB C 33 26.827 28.317 -1.490 1
1 276 . 14 1 1 A 33 33 GLN N N 33 120.539 119.855 0.684 1
1 278 . 14 1 1 A 34 34 ALA H H 34 8.053 7.922 0.131 1
1 279 . 14 1 1 A 34 34 ALA HA H 34 3.964 4.092 -0.128 1
1 283 . 14 1 1 A 34 34 ALA C C 34 180.762 180.026 0.736 1
1 284 . 14 1 1 A 34 34 ALA CA C 34 55.338 54.931 0.407 1
1 285 . 14 1 1 A 34 34 ALA CB C 34 17.724 17.994 -0.270 1
1 286 . 14 1 1 A 34 34 ALA N N 34 120.505 120.542 -0.037 1
1 287 . 14 1 1 A 35 35 ALA H H 35 7.763 8.070 -0.307 1
1 288 . 14 1 1 A 35 35 ALA HA H 35 4.135 4.070 0.065 1
1 292 . 14 1 1 A 35 35 ALA C C 35 180.801 180.186 0.615 1
1 293 . 14 1 1 A 35 35 ALA CA C 35 54.635 54.594 0.041 1
1 294 . 14 1 1 A 35 35 ALA CB C 35 17.888 18.387 -0.499 1
1 295 . 14 1 1 A 35 35 ALA N N 35 122.109 120.607 1.502 1
1 296 . 14 1 1 A 36 36 ILE H H 36 7.673 7.747 -0.074 1
1 297 . 14 1 1 A 36 36 ILE HA H 36 3.753 3.716 0.037 1
1 307 . 14 1 1 A 36 36 ILE C C 36 179.213 177.838 1.375 1
1 308 . 14 1 1 A 36 36 ILE CA C 36 62.955 64.821 -1.866 1
1 309 . 14 1 1 A 36 36 ILE CB C 36 36.388 37.583 -1.195 1
1 313 . 14 1 1 A 36 36 ILE N N 36 118.252 118.928 -0.676 1
1 314 . 14 1 1 A 37 37 LYS H H 37 8.444 8.257 0.187 1
1 315 . 14 1 1 A 37 37 LYS HA H 37 3.982 3.955 0.027 1
1 324 . 14 1 1 A 37 37 LYS C C 37 178.872 179.579 -0.707 1
1 325 . 14 1 1 A 37 37 LYS CA C 37 58.715 59.838 -1.123 1
1 326 . 14 1 1 A 37 37 LYS CB C 37 31.802 32.223 -0.421 1
1 330 . 14 1 1 A 37 37 LYS N N 37 121.415 119.413 2.002 1
1 331 . 14 1 1 A 38 38 GLY H H 38 7.873 7.987 -0.114 1
1 332 . 14 1 1 A 38 38 GLY HA2 H 38 3.849 3.799 0.050 1
1 333 . 14 1 1 A 38 38 GLY HA3 H 38 3.849 3.802 0.047 1
1 334 . 14 1 1 A 38 38 GLY C C 38 175.341 175.859 -0.518 1
1 335 . 14 1 1 A 38 38 GLY CA C 38 46.490 47.337 -0.847 1
1 336 . 14 1 1 A 38 38 GLY N N 38 104.723 107.318 -2.595 1
1 337 . 14 1 1 A 39 39 GLN H H 39 7.288 7.784 -0.496 1
1 338 . 14 1 1 A 39 39 GLN HA H 39 4.313 4.295 0.018 1
1 345 . 14 1 1 A 39 39 GLN C C 39 175.814 175.950 -0.136 1
1 346 . 14 1 1 A 39 39 GLN CA C 39 56.482 56.546 -0.064 1
1 347 . 14 1 1 A 39 39 GLN CB C 39 30.074 29.842 0.232 1
1 349 . 14 1 1 A 39 39 GLN N N 39 117.295 118.623 -1.328 1
1 351 . 14 1 1 A 40 40 ASN H H 40 7.780 8.121 -0.341 1
1 352 . 14 1 1 A 40 40 ASN HA H 40 5.159 5.205 -0.046 1
1 357 . 14 1 1 A 40 40 ASN C C 40 172.428 173.572 -1.144 1
1 358 . 14 1 1 A 40 40 ASN CA C 40 50.877 50.541 0.336 1
1 359 . 14 1 1 A 40 40 ASN CB C 40 39.595 38.849 0.746 1
1 360 . 14 1 1 A 40 40 ASN N N 40 115.989 117.232 -1.243 1
1 362 . 14 1 1 A 41 41 PRO HA H 41 4.523 4.376 0.147 1
1 369 . 14 1 1 A 41 41 PRO C C 41 177.550 177.707 -0.157 1
1 370 . 14 1 1 A 41 41 PRO CA C 41 64.837 64.431 0.406 1
1 371 . 14 1 1 A 41 41 PRO CB C 41 32.073 31.954 0.119 1
1 374 . 14 1 1 A 42 42 ASN H H 42 8.363 8.628 -0.265 1
1 375 . 14 1 1 A 42 42 ASN HA H 42 4.853 4.466 0.387 1
1 380 . 14 1 1 A 42 42 ASN C C 42 175.387 176.551 -1.164 1
1 381 . 14 1 1 A 42 42 ASN CA C 42 52.753 55.340 -2.587 1
1 382 . 14 1 1 A 42 42 ASN CB C 42 38.879 38.094 0.785 1
1 383 . 14 1 1 A 42 42 ASN N N 42 114.677 116.895 -2.218 1
1 385 . 14 1 1 A 43 43 ALA H H 43 7.533 7.295 0.238 1
1 386 . 14 1 1 A 43 43 ALA HA H 43 4.443 4.365 0.078 1
1 390 . 14 1 1 A 43 43 ALA C C 43 178.490 176.401 2.089 1
1 391 . 14 1 1 A 43 43 ALA CA C 43 52.647 52.192 0.455 1
1 392 . 14 1 1 A 43 43 ALA CB C 43 19.314 19.992 -0.678 1
1 393 . 14 1 1 A 43 43 ALA N N 43 124.307 121.807 2.500 1
1 394 . 14 1 1 A 44 44 THR H H 44 8.698 8.504 0.194 1
1 395 . 14 1 1 A 44 44 THR HA H 44 4.482 4.940 -0.458 1
1 400 . 14 1 1 A 44 44 THR C C 44 175.408 175.234 0.174 1
1 401 . 14 1 1 A 44 44 THR CA C 44 60.791 60.127 0.664 1
1 402 . 14 1 1 A 44 44 THR CB C 44 71.516 72.141 -0.625 1
1 404 . 14 1 1 A 44 44 THR N N 44 114.309 107.908 6.401 1
1 405 . 14 1 1 A 45 45 PHE HA H 45 4.303 4.180 0.123 1
1 410 . 14 1 1 A 45 45 PHE CA C 45 61.982 61.661 0.321 1
1 411 . 14 1 1 A 45 45 PHE CB C 45 38.942 39.576 -0.634 1
1 414 . 14 1 1 A 46 46 GLY HA2 H 46 3.962 3.737 0.225 1
1 415 . 14 1 1 A 46 46 GLY HA3 H 46 3.745 3.787 -0.042 1
1 416 . 14 1 1 A 46 46 GLY C C 46 176.621 176.295 0.326 1
1 417 . 14 1 1 A 46 46 GLY CA C 46 46.930 47.533 -0.603 1
1 418 . 14 1 1 A 47 47 GLU H H 47 7.692 7.533 0.159 1
1 419 . 14 1 1 A 47 47 GLU HA H 47 4.053 4.129 -0.076 1
1 424 . 14 1 1 A 47 47 GLU C C 47 179.472 178.771 0.701 1
1 425 . 14 1 1 A 47 47 GLU CA C 47 59.296 59.238 0.058 1
1 426 . 14 1 1 A 47 47 GLU CB C 47 29.769 30.077 -0.308 1
1 428 . 14 1 1 A 47 47 GLU N N 47 123.040 121.872 1.168 1
1 429 . 14 1 1 A 48 48 VAL H H 48 8.504 8.359 0.145 1
1 430 . 14 1 1 A 48 48 VAL HA H 48 3.413 3.573 -0.160 1
1 438 . 14 1 1 A 48 48 VAL C C 48 177.640 178.180 -0.540 1
1 439 . 14 1 1 A 48 48 VAL CA C 48 67.159 66.158 1.001 1
1 440 . 14 1 1 A 48 48 VAL CB C 48 31.820 31.476 0.344 1
1 443 . 14 1 1 A 48 48 VAL N N 48 120.194 120.731 -0.537 1
1 444 . 14 1 1 A 49 49 SER H H 49 8.442 7.781 0.661 1
1 445 . 14 1 1 A 49 49 SER HA H 49 4.093 4.175 -0.082 1
1 448 . 14 1 1 A 49 49 SER C C 49 176.016 176.923 -0.907 1
1 449 . 14 1 1 A 49 49 SER CA C 49 62.500 61.619 0.881 1
1 450 . 14 1 1 A 49 49 SER CB C 49 62.653 62.606 0.047 1
1 451 . 14 1 1 A 49 49 SER N N 49 113.484 114.679 -1.195 1
1 452 . 14 1 1 A 50 50 LYS H H 50 7.474 7.555 -0.081 1
1 453 . 14 1 1 A 50 50 LYS HA H 50 4.132 4.043 0.089 1
1 462 . 14 1 1 A 50 50 LYS C C 50 179.463 178.994 0.469 1
1 463 . 14 1 1 A 50 50 LYS CA C 50 59.525 59.148 0.377 1
1 464 . 14 1 1 A 50 50 LYS CB C 50 32.606 32.311 0.295 1
1 468 . 14 1 1 A 50 50 LYS N N 50 120.865 120.703 0.162 1
1 469 . 14 1 1 A 51 51 ILE H H 51 7.853 7.508 0.345 1
1 470 . 14 1 1 A 51 51 ILE HA H 51 3.793 3.768 0.025 1
1 480 . 14 1 1 A 51 51 ILE C C 51 179.105 178.177 0.928 1
1 481 . 14 1 1 A 51 51 ILE CA C 51 65.488 64.753 0.735 1
1 482 . 14 1 1 A 51 51 ILE CB C 51 38.603 37.969 0.634 1
1 486 . 14 1 1 A 51 51 ILE N N 51 121.720 120.719 1.001 1
1 487 . 14 1 1 A 52 52 VAL H H 52 8.703 7.957 0.746 1
1 488 . 14 1 1 A 52 52 VAL HA H 52 3.659 3.600 0.059 1
1 496 . 14 1 1 A 52 52 VAL C C 52 178.262 178.615 -0.353 1
1 497 . 14 1 1 A 52 52 VAL CA C 52 67.388 66.491 0.897 1
1 498 . 14 1 1 A 52 52 VAL CB C 52 31.185 31.145 0.040 1
1 501 . 14 1 1 A 52 52 VAL N N 52 121.006 120.162 0.844 1
1 502 . 14 1 1 A 53 53 ALA H H 53 8.343 8.699 -0.356 1
1 503 . 14 1 1 A 53 53 ALA HA H 53 4.412 4.321 0.091 1
1 507 . 14 1 1 A 53 53 ALA C C 53 180.884 179.315 1.569 1
1 508 . 14 1 1 A 53 53 ALA CA C 53 56.271 55.337 0.934 1
1 509 . 14 1 1 A 53 53 ALA CB C 53 17.888 18.053 -0.165 1
1 510 . 14 1 1 A 53 53 ALA N N 53 122.645 122.436 0.209 1
1 511 . 14 1 1 A 54 54 SER H H 54 7.905 7.660 0.245 1
1 512 . 14 1 1 A 54 54 SER HA H 54 4.415 4.459 -0.044 1
1 515 . 14 1 1 A 54 54 SER C C 54 177.818 176.210 1.608 1
1 516 . 14 1 1 A 54 54 SER CA C 54 61.635 60.931 0.704 1
1 517 . 14 1 1 A 54 54 SER CB C 54 62.947 63.295 -0.348 1
1 518 . 14 1 1 A 54 54 SER N N 54 114.062 114.648 -0.586 1
1 519 . 14 1 1 A 55 55 MET H H 55 8.553 8.070 0.483 1
1 520 . 14 1 1 A 55 55 MET HA H 55 4.194 4.349 -0.155 1
1 528 . 14 1 1 A 55 55 MET C C 55 179.156 178.381 0.775 1
1 529 . 14 1 1 A 55 55 MET CA C 55 59.190 58.687 0.503 1
1 530 . 14 1 1 A 55 55 MET CB C 55 33.551 33.806 -0.255 1
1 533 . 14 1 1 A 55 55 MET N N 55 123.394 119.691 3.703 1
1 534 . 14 1 1 A 56 56 TRP H H 56 8.864 8.837 0.027 1
1 535 . 14 1 1 A 56 56 TRP HA H 56 3.899 3.774 0.125 1
1 544 . 14 1 1 A 56 56 TRP C C 56 178.213 178.462 -0.249 1
1 545 . 14 1 1 A 56 56 TRP CA C 56 59.806 60.707 -0.901 1
1 546 . 14 1 1 A 56 56 TRP CB C 56 30.281 29.766 0.515 1
1 552 . 14 1 1 A 56 56 TRP N N 56 121.428 122.726 -1.298 1
1 554 . 14 1 1 A 57 57 ASP H H 57 8.061 8.064 -0.003 1
1 555 . 14 1 1 A 57 57 ASP HA H 57 4.253 4.413 -0.160 1
1 558 . 14 1 1 A 57 57 ASP C C 57 178.103 177.516 0.587 1
1 559 . 14 1 1 A 57 57 ASP CA C 57 57.186 56.552 0.634 1
1 560 . 14 1 1 A 57 57 ASP CB C 57 40.705 40.645 0.060 1
1 561 . 14 1 1 A 57 57 ASP N N 57 117.661 118.131 -0.470 1
1 562 . 14 1 1 A 58 58 GLY H H 58 7.481 7.899 -0.418 1
1 563 . 14 1 1 A 58 58 GLY HA2 H 58 4.202 3.975 0.227 1
1 564 . 14 1 1 A 58 58 GLY HA3 H 58 3.672 4.007 -0.335 1
1 565 . 14 1 1 A 58 58 GLY C C 58 174.062 173.340 0.722 1
1 566 . 14 1 1 A 58 58 GLY CA C 58 44.872 45.327 -0.455 1
1 567 . 14 1 1 A 58 58 GLY N N 58 103.794 105.859 -2.065 1
1 568 . 14 1 1 A 59 59 LEU H H 59 7.153 6.963 0.190 1
1 569 . 14 1 1 A 59 59 LEU HA H 59 4.123 4.267 -0.144 1
1 579 . 14 1 1 A 59 59 LEU C C 59 177.880 177.220 0.660 1
1 580 . 14 1 1 A 59 59 LEU CA C 59 55.114 53.862 1.252 1
1 581 . 14 1 1 A 59 59 LEU CB C 59 43.149 42.621 0.528 1
1 585 . 14 1 1 A 59 59 LEU N N 59 123.874 120.770 3.104 1
1 586 . 14 1 1 A 60 60 GLY H H 60 8.523 8.106 0.417 1
1 587 . 14 1 1 A 60 60 GLY HA2 H 60 4.091 4.010 0.081 1
1 588 . 14 1 1 A 60 60 GLY HA3 H 60 3.993 4.021 -0.028 1
1 589 . 14 1 1 A 60 60 GLY C C 60 174.634 175.031 -0.397 1
1 590 . 14 1 1 A 60 60 GLY CA C 60 44.995 45.490 -0.495 1
1 591 . 14 1 1 A 60 60 GLY N N 60 110.475 109.298 1.177 1
1 592 . 14 1 1 A 61 61 GLU H H 61 8.743 8.763 -0.020 1
1 593 . 14 1 1 A 61 61 GLU HA H 61 3.873 3.886 -0.013 1
1 598 . 14 1 1 A 61 61 GLU C C 61 178.841 178.065 0.776 1
1 599 . 14 1 1 A 61 61 GLU CA C 61 59.577 59.380 0.197 1
1 600 . 14 1 1 A 61 61 GLU CB C 61 29.299 29.264 0.035 1
1 602 . 14 1 1 A 61 61 GLU N N 61 122.609 121.267 1.342 1
1 603 . 14 1 1 A 62 62 GLU H H 62 9.063 7.848 1.215 1
1 604 . 14 1 1 A 62 62 GLU HA H 62 4.033 4.026 0.007 1
1 609 . 14 1 1 A 62 62 GLU C C 62 179.086 178.719 0.367 1
1 610 . 14 1 1 A 62 62 GLU CA C 62 59.841 58.988 0.853 1
1 611 . 14 1 1 A 62 62 GLU CB C 62 28.660 29.136 -0.476 1
1 613 . 14 1 1 A 62 62 GLU N N 62 118.089 119.531 -1.442 1
1 614 . 14 1 1 A 63 63 GLN H H 63 7.563 7.862 -0.299 1
1 615 . 14 1 1 A 63 63 GLN HA H 63 4.282 4.012 0.270 1
1 622 . 14 1 1 A 63 63 GLN C C 63 179.406 178.609 0.797 1
1 623 . 14 1 1 A 63 63 GLN CA C 63 59.050 57.956 1.094 1
1 624 . 14 1 1 A 63 63 GLN CB C 63 29.089 28.985 0.104 1
1 626 . 14 1 1 A 63 63 GLN N N 63 118.216 118.495 -0.279 1
1 628 . 14 1 1 A 64 64 LYS H H 64 8.193 7.790 0.403 1
1 629 . 14 1 1 A 64 64 LYS HA H 64 3.933 4.046 -0.113 1
1 638 . 14 1 1 A 64 64 LYS C C 64 179.858 178.982 0.876 1
1 639 . 14 1 1 A 64 64 LYS CA C 64 60.774 59.416 1.358 1
1 640 . 14 1 1 A 64 64 LYS CB C 64 33.100 32.152 0.948 1
1 644 . 14 1 1 A 64 64 LYS N N 64 119.928 120.299 -0.371 1
1 645 . 14 1 1 A 65 65 GLN H H 65 8.459 7.930 0.529 1
1 646 . 14 1 1 A 65 65 GLN HA H 65 4.056 4.148 -0.092 1
1 653 . 14 1 1 A 65 65 GLN C C 65 177.751 178.205 -0.454 1
1 654 . 14 1 1 A 65 65 GLN CA C 65 58.891 58.658 0.233 1
1 655 . 14 1 1 A 65 65 GLN CB C 65 28.167 28.434 -0.267 1
1 657 . 14 1 1 A 65 65 GLN N N 65 117.874 117.941 -0.067 1
1 659 . 14 1 1 A 66 66 VAL H H 66 7.408 8.104 -0.696 1
1 660 . 14 1 1 A 66 66 VAL HA H 66 3.653 3.707 -0.054 1
1 668 . 14 1 1 A 66 66 VAL C C 66 178.900 177.310 1.590 1
1 669 . 14 1 1 A 66 66 VAL CA C 66 66.860 65.008 1.852 1
1 670 . 14 1 1 A 66 66 VAL CB C 66 31.784 30.981 0.803 1
1 673 . 14 1 1 A 66 66 VAL N N 66 119.348 119.610 -0.262 1
1 674 . 14 1 1 A 67 67 TYR H H 67 7.229 7.319 -0.090 1
1 675 . 14 1 1 A 67 67 TYR HA H 67 4.151 4.420 -0.269 1
1 682 . 14 1 1 A 67 67 TYR C C 67 178.776 178.494 0.282 1
1 683 . 14 1 1 A 67 67 TYR CA C 67 63.307 61.550 1.757 1
1 684 . 14 1 1 A 67 67 TYR CB C 67 39.308 37.824 1.484 1
1 689 . 14 1 1 A 67 67 TYR N N 67 117.638 120.750 -3.112 1
1 690 . 14 1 1 A 68 68 LYS H H 68 8.554 8.290 0.264 1
1 691 . 14 1 1 A 68 68 LYS HA H 68 4.195 4.302 -0.107 1
1 698 . 14 1 1 A 68 68 LYS C C 68 179.468 179.575 -0.107 1
1 699 . 14 1 1 A 68 68 LYS CA C 68 60.703 59.212 1.491 1
1 700 . 14 1 1 A 68 68 LYS CB C 68 32.154 32.515 -0.361 1
1 704 . 14 1 1 A 68 68 LYS N N 68 121.795 120.634 1.161 1
1 705 . 14 1 1 A 69 69 LYS H H 69 8.883 7.734 1.149 1
1 706 . 14 1 1 A 69 69 LYS HA H 69 4.171 4.115 0.056 1
1 715 . 14 1 1 A 69 69 LYS C C 69 180.214 179.457 0.757 1
1 716 . 14 1 1 A 69 69 LYS CA C 69 59.824 59.824 0.000 1
1 717 . 14 1 1 A 69 69 LYS CB C 69 32.072 32.156 -0.084 1
1 721 . 14 1 1 A 69 69 LYS N N 69 120.539 119.605 0.934 1
1 722 . 14 1 1 A 70 70 LYS H H 70 7.791 7.693 0.098 1
1 723 . 14 1 1 A 70 70 LYS HA H 70 4.211 4.095 0.116 1
1 732 . 14 1 1 A 70 70 LYS C C 70 179.985 179.179 0.806 1
1 733 . 14 1 1 A 70 70 LYS CA C 70 60.017 59.121 0.896 1
1 734 . 14 1 1 A 70 70 LYS CB C 70 33.200 31.905 1.295 1
1 738 . 14 1 1 A 70 70 LYS N N 70 119.946 120.099 -0.153 1
1 739 . 14 1 1 A 71 71 THR H H 71 8.002 7.619 0.383 1
1 740 . 14 1 1 A 71 71 THR HA H 71 4.301 3.866 0.435 1
1 745 . 14 1 1 A 71 71 THR C C 71 176.462 176.246 0.216 1
1 746 . 14 1 1 A 71 71 THR CA C 71 66.402 67.381 -0.979 1
1 747 . 14 1 1 A 71 71 THR CB C 71 68.949 68.610 0.339 1
1 749 . 14 1 1 A 71 71 THR N N 71 116.183 117.259 -1.076 1
1 750 . 14 1 1 A 72 72 GLU H H 72 8.295 7.637 0.658 1
1 751 . 14 1 1 A 72 72 GLU HA H 72 4.143 4.099 0.044 1
1 756 . 14 1 1 A 72 72 GLU C C 72 179.498 179.067 0.431 1
1 757 . 14 1 1 A 72 72 GLU CA C 72 59.665 59.215 0.450 1
1 758 . 14 1 1 A 72 72 GLU CB C 72 29.400 29.318 0.082 1
1 760 . 14 1 1 A 72 72 GLU N N 72 123.438 120.111 3.327 1
1 761 . 14 1 1 A 73 73 ALA H H 73 8.063 7.815 0.248 1
1 762 . 14 1 1 A 73 73 ALA HA H 73 4.262 4.153 0.109 1
1 766 . 14 1 1 A 73 73 ALA C C 73 180.639 178.978 1.661 1
1 767 . 14 1 1 A 73 73 ALA CA C 73 55.268 54.406 0.862 1
1 768 . 14 1 1 A 73 73 ALA CB C 73 17.824 18.085 -0.261 1
1 769 . 14 1 1 A 73 73 ALA N N 73 122.231 122.914 -0.683 1
1 770 . 14 1 1 A 74 74 ALA H H 74 8.093 7.665 0.428 1
1 771 . 14 1 1 A 74 74 ALA HA H 74 4.320 4.276 0.044 1
1 775 . 14 1 1 A 74 74 ALA C C 74 181.394 179.620 1.774 1
1 776 . 14 1 1 A 74 74 ALA CA C 74 54.904 54.050 0.854 1
1 777 . 14 1 1 A 74 74 ALA CB C 74 18.313 19.170 -0.857 1
1 778 . 14 1 1 A 74 74 ALA N N 74 121.882 119.474 2.408 1
1 779 . 14 1 1 A 75 75 LYS H H 75 8.661 7.800 0.861 1
1 780 . 14 1 1 A 75 75 LYS HA H 75 4.053 4.165 -0.112 1
1 786 . 14 1 1 A 75 75 LYS C C 75 178.096 178.763 -0.667 1
1 787 . 14 1 1 A 75 75 LYS CA C 75 60.510 59.461 1.049 1
1 788 . 14 1 1 A 75 75 LYS CB C 75 32.236 32.364 -0.128 1
1 792 . 14 1 1 A 75 75 LYS N N 75 121.652 118.309 3.343 1
1 793 . 14 1 1 A 76 76 LYS H H 76 7.855 8.065 -0.210 1
1 794 . 14 1 1 A 76 76 LYS HA H 76 4.110 3.921 0.189 1
1 799 . 14 1 1 A 76 76 LYS C C 76 179.822 179.364 0.458 1
1 800 . 14 1 1 A 76 76 LYS CA C 76 59.993 60.103 -0.110 1
1 801 . 14 1 1 A 76 76 LYS CB C 76 32.401 32.195 0.206 1
1 805 . 14 1 1 A 76 76 LYS N N 76 119.219 118.504 0.715 1
1 806 . 14 1 1 A 77 77 GLU H H 77 7.880 8.227 -0.347 1
1 807 . 14 1 1 A 77 77 GLU HA H 77 4.233 4.114 0.119 1
1 812 . 14 1 1 A 77 77 GLU C C 77 178.358 178.265 0.093 1
1 813 . 14 1 1 A 77 77 GLU CA C 77 58.980 59.313 -0.333 1
1 814 . 14 1 1 A 77 77 GLU CB C 77 29.235 29.261 -0.026 1
1 816 . 14 1 1 A 77 77 GLU N N 77 119.640 118.275 1.365 1
1 817 . 14 1 1 A 78 78 TYR H H 78 8.391 8.155 0.236 1
1 818 . 14 1 1 A 78 78 TYR HA H 78 4.413 4.088 0.325 1
1 825 . 14 1 1 A 78 78 TYR C C 78 176.737 176.902 -0.165 1
1 826 . 14 1 1 A 78 78 TYR CA C 78 60.809 61.623 -0.814 1
1 827 . 14 1 1 A 78 78 TYR CB C 78 38.239 38.814 -0.575 1
1 832 . 14 1 1 A 78 78 TYR N N 78 121.464 122.072 -0.608 1
1 833 . 14 1 1 A 79 79 LEU H H 79 8.203 7.940 0.263 1
1 834 . 14 1 1 A 79 79 LEU HA H 79 3.764 3.568 0.196 1
1 844 . 14 1 1 A 79 79 LEU C C 79 180.728 179.120 1.608 1
1 845 . 14 1 1 A 79 79 LEU CA C 79 58.170 57.744 0.426 1
1 846 . 14 1 1 A 79 79 LEU CB C 79 41.445 41.368 0.077 1
1 850 . 14 1 1 A 79 79 LEU N N 79 118.433 119.601 -1.168 1
1 851 . 14 1 1 A 80 80 LYS H H 80 7.523 8.167 -0.644 1
1 852 . 14 1 1 A 80 80 LYS HA H 80 4.134 3.878 0.256 1
1 861 . 14 1 1 A 80 80 LYS C C 80 179.804 179.996 -0.192 1
1 862 . 14 1 1 A 80 80 LYS CA C 80 59.630 60.336 -0.706 1
1 863 . 14 1 1 A 80 80 LYS CB C 80 32.400 32.501 -0.101 1
1 867 . 14 1 1 A 80 80 LYS N N 80 120.723 117.534 3.189 1
1 868 . 14 1 1 A 81 81 GLN H H 81 8.473 8.293 0.180 1
1 869 . 14 1 1 A 81 81 GLN HA H 81 4.144 3.980 0.164 1
1 876 . 14 1 1 A 81 81 GLN C C 81 179.906 178.472 1.434 1
1 877 . 14 1 1 A 81 81 GLN CA C 81 58.628 58.953 -0.325 1
1 878 . 14 1 1 A 81 81 GLN CB C 81 28.273 28.273 0.000 1
1 880 . 14 1 1 A 81 81 GLN N N 81 120.899 118.891 2.008 1
1 882 . 14 1 1 A 82 82 LEU H H 82 9.233 7.760 1.473 1
1 883 . 14 1 1 A 82 82 LEU HA H 82 3.963 4.156 -0.193 1
1 893 . 14 1 1 A 82 82 LEU C C 82 178.293 178.206 0.087 1
1 894 . 14 1 1 A 82 82 LEU CA C 82 57.959 57.950 0.009 1
1 895 . 14 1 1 A 82 82 LEU CB C 82 42.044 41.580 0.464 1
1 899 . 14 1 1 A 82 82 LEU N N 82 123.463 121.842 1.621 1
1 900 . 14 1 1 A 83 83 ALA H H 83 7.732 8.229 -0.497 1
1 901 . 14 1 1 A 83 83 ALA HA H 83 4.223 4.006 0.217 1
1 905 . 14 1 1 A 83 83 ALA C C 83 180.853 179.310 1.543 1
1 906 . 14 1 1 A 83 83 ALA CA C 83 54.944 54.697 0.247 1
1 907 . 14 1 1 A 83 83 ALA CB C 83 17.765 18.353 -0.588 1
1 908 . 14 1 1 A 83 83 ALA N N 83 120.956 120.210 0.746 1
1 909 . 14 1 1 A 84 84 ALA H H 84 7.716 7.185 0.531 1
1 910 . 14 1 1 A 84 84 ALA HA H 84 4.135 4.186 -0.051 1
1 914 . 14 1 1 A 84 84 ALA C C 84 180.256 178.903 1.353 1
1 915 . 14 1 1 A 84 84 ALA CA C 84 55.234 54.844 0.390 1
1 916 . 14 1 1 A 84 84 ALA CB C 84 17.806 19.253 -1.447 1
1 917 . 14 1 1 A 84 84 ALA N N 84 121.082 119.910 1.172 1
1 918 . 14 1 1 A 85 85 TYR H H 85 8.453 8.372 0.081 1
1 919 . 14 1 1 A 85 85 TYR HA H 85 4.310 3.994 0.316 1
1 926 . 14 1 1 A 85 85 TYR C C 85 178.538 177.546 0.992 1
1 927 . 14 1 1 A 85 85 TYR CA C 85 60.862 62.178 -1.316 1
1 928 . 14 1 1 A 85 85 TYR CB C 85 38.444 38.891 -0.447 1
1 933 . 14 1 1 A 85 85 TYR N N 85 121.359 119.733 1.626 1
1 934 . 14 1 1 A 86 86 ARG H H 86 8.734 7.855 0.879 1
1 935 . 14 1 1 A 86 86 ARG HA H 86 3.713 3.713 0.000 1
1 942 . 14 1 1 A 86 86 ARG C C 86 178.962 178.589 0.373 1
1 943 . 14 1 1 A 86 86 ARG CA C 86 59.454 59.294 0.160 1
1 944 . 14 1 1 A 86 86 ARG CB C 86 29.605 29.955 -0.350 1
1 947 . 14 1 1 A 86 86 ARG N N 86 119.740 118.704 1.036 1
1 948 . 14 1 1 A 87 87 ALA H H 87 7.853 8.285 -0.432 1
1 949 . 14 1 1 A 87 87 ALA HA H 87 4.195 4.039 0.156 1
1 953 . 14 1 1 A 87 87 ALA C C 87 179.605 179.714 -0.109 1
1 954 . 14 1 1 A 87 87 ALA CA C 87 54.353 55.187 -0.834 1
1 955 . 14 1 1 A 87 87 ALA CB C 87 17.971 18.798 -0.827 1
1 956 . 14 1 1 A 87 87 ALA N N 87 120.667 122.344 -1.677 1
1 957 . 14 1 1 A 88 88 SER H H 88 7.763 7.803 -0.040 1
1 958 . 14 1 1 A 88 88 SER HA H 88 4.347 4.241 0.106 1
1 961 . 14 1 1 A 88 88 SER C C 88 175.219 177.348 -2.129 1
1 962 . 14 1 1 A 88 88 SER CA C 88 60.158 61.417 -1.259 1
1 963 . 14 1 1 A 88 88 SER CB C 88 63.440 62.723 0.717 1
1 964 . 14 1 1 A 88 88 SER N N 88 114.332 113.509 0.823 1
1 965 . 14 1 1 A 89 89 LEU H H 89 7.344 7.783 -0.439 1
1 966 . 14 1 1 A 89 89 LEU HA H 89 4.163 3.781 0.382 1
1 976 . 14 1 1 A 89 89 LEU C C 89 178.335 177.100 1.235 1
1 977 . 14 1 1 A 89 89 LEU CA C 89 56.059 57.941 -1.882 1
1 978 . 14 1 1 A 89 89 LEU CB C 89 42.062 42.134 -0.072 1
1 982 . 14 1 1 A 89 89 LEU N N 89 121.862 121.068 0.794 1
1 983 . 14 1 1 A 90 90 VAL H H 90 7.533 7.718 -0.185 1
1 984 . 14 1 1 A 90 90 VAL HA H 90 4.063 3.986 0.077 1
1 992 . 14 1 1 A 90 90 VAL C C 90 176.743 176.215 0.528 1
1 993 . 14 1 1 A 90 90 VAL CA C 90 63.183 62.141 1.042 1
1 994 . 14 1 1 A 90 90 VAL CB C 90 32.318 32.953 -0.635 1
1 997 . 14 1 1 A 90 90 VAL N N 90 117.748 117.521 0.227 1
1 998 . 14 1 1 A 91 91 SER H H 91 8.059 8.681 -0.622 1
1 999 . 14 1 1 A 91 91 SER HA H 91 4.415 4.344 0.071 1
1 1002 . 14 1 1 A 91 91 SER C C 91 174.854 175.019 -0.165 1
1 1003 . 14 1 1 A 91 91 SER CA C 91 58.861 61.631 -2.770 1
1 1004 . 14 1 1 A 91 91 SER CB C 91 63.810 63.420 0.390 1
1 1005 . 14 1 1 A 91 91 SER N N 91 117.663 116.748 0.915 1
1 1006 . 14 1 1 A 92 92 LYS H H 92 8.158 7.558 0.600 1
1 1007 . 14 1 1 A 92 92 LYS HA H 92 4.329 4.411 -0.082 1
1 1010 . 14 1 1 A 92 92 LYS C C 92 176.528 176.405 0.123 1
1 1011 . 14 1 1 A 92 92 LYS CA C 92 56.551 56.488 0.063 1
1 1012 . 14 1 1 A 92 92 LYS CB C 92 32.771 33.001 -0.230 1
1 1016 . 14 1 1 A 92 92 LYS N N 92 122.827 117.371 5.456 1
1 1017 . 14 1 1 A 93 93 SER H H 93 8.186 9.152 -0.966 1
1 1018 . 14 1 1 A 93 93 SER HA H 93 4.444 5.110 -0.666 1
1 1021 . 14 1 1 A 93 93 SER C C 93 174.271 172.187 2.084 1
1 1022 . 14 1 1 A 93 93 SER CA C 93 58.504 57.873 0.631 1
1 1023 . 14 1 1 A 93 93 SER CB C 93 63.933 66.615 -2.682 1
1 1024 . 14 1 1 A 93 93 SER N N 93 116.068 117.907 -1.839 1
1 1025 . 14 1 1 A 94 94 TYR H H 94 8.146 9.206 -1.060 1
1 1026 . 14 1 1 A 94 94 TYR HA H 94 4.658 5.054 -0.396 1
1 1033 . 14 1 1 A 94 94 TYR C C 94 176.011 176.245 -0.234 1
1 1034 . 14 1 1 A 94 94 TYR CA C 94 58.135 56.565 1.570 1
1 1035 . 14 1 1 A 94 94 TYR CB C 94 38.855 41.585 -2.730 1
1 1040 . 14 1 1 A 94 94 TYR N N 94 122.150 123.803 -1.653 1
1 1041 . 14 1 1 A 95 95 THR H H 95 8.024 8.693 -0.669 1
1 1042 . 14 1 1 A 95 95 THR HA H 95 4.333 4.164 0.169 1
1 1047 . 14 1 1 A 95 95 THR C C 95 174.054 174.792 -0.738 1
1 1048 . 14 1 1 A 95 95 THR CA C 95 61.740 65.353 -3.613 1
1 1049 . 14 1 1 A 95 95 THR CB C 95 69.977 69.226 0.751 1
1 1051 . 14 1 1 A 95 95 THR N N 95 115.298 117.660 -2.362 1
1 1052 . 14 1 1 A 96 96 ASP H H 96 8.288 8.168 0.120 1
1 1053 . 14 1 1 A 96 96 ASP HA H 96 4.663 4.938 -0.275 1
1 1056 . 14 1 1 A 96 96 ASP C C 96 176.252 175.918 0.334 1
1 1057 . 14 1 1 A 96 96 ASP CA C 96 54.494 53.619 0.875 1
1 1058 . 14 1 1 A 96 96 ASP CB C 96 41.404 42.308 -0.904 1
1 1059 . 14 1 1 A 96 96 ASP N N 96 122.969 120.216 2.753 1
1 1060 . 14 1 1 A 97 97 SER H H 97 8.272 8.917 -0.645 1
1 1061 . 14 1 1 A 97 97 SER HA H 97 4.500 4.481 0.019 1
1 1063 . 14 1 1 A 97 97 SER C C 97 174.845 175.230 -0.385 1
1 1064 . 14 1 1 A 97 97 SER CA C 97 58.522 60.757 -2.235 1
1 1065 . 14 1 1 A 97 97 SER CB C 97 63.656 63.706 -0.050 1
1 1066 . 14 1 1 A 97 97 SER N N 97 116.137 119.046 -2.909 1
1 1067 . 14 1 1 A 98 98 GLY H H 98 8.289 8.017 0.272 1
1 1068 . 14 1 1 A 98 98 GLY HA2 H 98 4.123 4.061 0.062 1
1 1069 . 14 1 1 A 98 98 GLY HA3 H 98 4.123 4.066 0.057 1
1 1070 . 14 1 1 A 98 98 GLY C C 98 171.920 174.449 -2.529 1
1 1071 . 14 1 1 A 98 98 GLY CA C 98 44.748 45.465 -0.717 1
1 1072 . 14 1 1 A 98 98 GLY N N 98 110.751 108.072 2.679 1
1 1073 . 14 1 1 A 99 99 PRO HA H 99 4.490 4.590 -0.100 1
1 1080 . 14 1 1 A 99 99 PRO CA C 99 63.373 63.666 -0.293 1
1 1081 . 14 1 1 A 99 99 PRO CB C 99 32.247 31.951 0.296 1
1 1 . 15 1 1 A 12 12 LYS HA H 12 4.317 4.572 -0.255 1
1 6 . 15 1 1 A 12 12 LYS C C 12 176.329 176.191 0.138 1
1 7 . 15 1 1 A 12 12 LYS CA C 12 56.223 55.516 0.707 1
1 8 . 15 1 1 A 12 12 LYS CB C 12 33.117 33.133 -0.016 1
1 12 . 15 1 1 A 13 13 LYS H H 13 8.394 8.656 -0.262 1
1 13 . 15 1 1 A 13 13 LYS HA H 13 4.273 4.256 0.017 1
1 18 . 15 1 1 A 13 13 LYS C C 13 175.990 176.025 -0.035 1
1 19 . 15 1 1 A 13 13 LYS CA C 13 56.222 58.089 -1.867 1
1 20 . 15 1 1 A 13 13 LYS CB C 13 33.223 33.474 -0.251 1
1 24 . 15 1 1 A 13 13 LYS N N 13 123.900 127.431 -3.531 1
1 25 . 15 1 1 A 14 14 ASP H H 14 8.625 7.969 0.656 1
1 26 . 15 1 1 A 14 14 ASP HA H 14 4.902 4.767 0.135 1
1 29 . 15 1 1 A 14 14 ASP CA C 14 51.958 52.190 -0.232 1
1 30 . 15 1 1 A 14 14 ASP CB C 14 41.422 40.626 0.796 1
1 31 . 15 1 1 A 14 14 ASP N N 14 124.861 115.884 8.977 1
1 32 . 15 1 1 A 15 15 PRO HA H 15 4.442 4.430 0.012 1
1 39 . 15 1 1 A 15 15 PRO C C 15 176.634 176.474 0.160 1
1 40 . 15 1 1 A 15 15 PRO CA C 15 63.606 64.451 -0.845 1
1 41 . 15 1 1 A 15 15 PRO CB C 15 32.323 32.301 0.022 1
1 44 . 15 1 1 A 16 16 ASN H H 16 8.414 7.759 0.655 1
1 45 . 15 1 1 A 16 16 ASN HA H 16 4.683 4.940 -0.257 1
1 50 . 15 1 1 A 16 16 ASN C C 16 174.365 173.925 0.440 1
1 51 . 15 1 1 A 16 16 ASN CA C 16 52.946 51.682 1.264 1
1 52 . 15 1 1 A 16 16 ASN CB C 16 39.266 41.949 -2.683 1
1 53 . 15 1 1 A 16 16 ASN N N 16 116.873 115.456 1.417 1
1 55 . 15 1 1 A 17 17 GLU H H 17 7.712 7.977 -0.265 1
1 56 . 15 1 1 A 17 17 GLU HA H 17 3.233 3.101 0.132 1
1 61 . 15 1 1 A 17 17 GLU C C 17 174.415 174.839 -0.424 1
1 62 . 15 1 1 A 17 17 GLU CA C 17 54.423 56.558 -2.135 1
1 63 . 15 1 1 A 17 17 GLU CB C 17 29.911 28.625 1.286 1
1 65 . 15 1 1 A 17 17 GLU N N 17 122.673 120.391 2.282 1
1 66 . 15 1 1 A 18 18 PRO HA H 18 4.384 4.497 -0.113 1
1 73 . 15 1 1 A 18 18 PRO CA C 18 62.896 62.685 0.211 1
1 74 . 15 1 1 A 18 18 PRO CB C 18 31.963 32.220 -0.257 1
1 77 . 15 1 1 A 19 19 GLN H H 19 8.654 8.340 0.314 1
1 78 . 15 1 1 A 19 19 GLN HA H 19 4.293 4.637 -0.344 1
1 85 . 15 1 1 A 19 19 GLN C C 19 175.384 174.955 0.429 1
1 86 . 15 1 1 A 19 19 GLN CA C 19 55.057 54.828 0.229 1
1 87 . 15 1 1 A 19 19 GLN CB C 19 29.793 29.502 0.291 1
1 89 . 15 1 1 A 19 19 GLN N N 19 122.106 119.329 2.777 1
1 91 . 15 1 1 A 20 20 LYS H H 20 8.383 7.968 0.415 1
1 92 . 15 1 1 A 20 20 LYS HA H 20 3.393 2.627 0.766 1
1 101 . 15 1 1 A 20 20 LYS C C 20 174.706 174.882 -0.176 1
1 102 . 15 1 1 A 20 20 LYS CA C 20 54.951 53.821 1.130 1
1 103 . 15 1 1 A 20 20 LYS CB C 20 31.802 32.577 -0.775 1
1 107 . 15 1 1 A 20 20 LYS N N 20 124.861 125.847 -0.986 1
1 108 . 15 1 1 A 21 21 PRO HA H 21 4.500 4.462 0.038 1
1 115 . 15 1 1 A 21 21 PRO C C 21 176.741 176.475 0.266 1
1 116 . 15 1 1 A 21 21 PRO CA C 21 62.396 62.599 -0.203 1
1 117 . 15 1 1 A 21 21 PRO CB C 21 32.392 31.800 0.592 1
1 120 . 15 1 1 A 22 22 VAL H H 22 7.850 8.099 -0.249 1
1 121 . 15 1 1 A 22 22 VAL HA H 22 4.303 4.307 -0.004 1
1 129 . 15 1 1 A 22 22 VAL C C 22 175.615 175.520 0.095 1
1 130 . 15 1 1 A 22 22 VAL CA C 22 60.967 59.974 0.993 1
1 131 . 15 1 1 A 22 22 VAL CB C 22 32.342 33.368 -1.026 1
1 134 . 15 1 1 A 22 22 VAL N N 22 115.924 117.107 -1.183 1
1 135 . 15 1 1 A 23 23 SER H H 23 8.125 8.408 -0.283 1
1 136 . 15 1 1 A 23 23 SER HA H 23 4.433 4.546 -0.113 1
1 139 . 15 1 1 A 23 23 SER C C 23 173.516 175.470 -1.954 1
1 140 . 15 1 1 A 23 23 SER CA C 23 57.590 58.130 -0.540 1
1 141 . 15 1 1 A 23 23 SER CB C 23 65.578 63.999 1.579 1
1 142 . 15 1 1 A 23 23 SER N N 23 116.922 117.970 -1.048 1
1 143 . 15 1 1 A 24 24 ALA H H 24 8.707 8.892 -0.185 1
1 144 . 15 1 1 A 24 24 ALA HA H 24 4.046 4.468 -0.422 1
1 148 . 15 1 1 A 24 24 ALA C C 24 178.727 179.111 -0.384 1
1 149 . 15 1 1 A 24 24 ALA CA C 24 55.971 55.158 0.813 1
1 150 . 15 1 1 A 24 24 ALA CB C 24 18.505 18.571 -0.066 1
1 151 . 15 1 1 A 24 24 ALA N N 24 123.025 127.703 -4.678 1
1 152 . 15 1 1 A 25 25 TYR H H 25 8.119 7.935 0.184 1
1 153 . 15 1 1 A 25 25 TYR HA H 25 2.678 2.602 0.076 1
1 160 . 15 1 1 A 25 25 TYR C C 25 176.253 177.404 -1.151 1
1 161 . 15 1 1 A 25 25 TYR CA C 25 60.281 60.515 -0.234 1
1 162 . 15 1 1 A 25 25 TYR CB C 25 37.951 37.843 0.108 1
1 167 . 15 1 1 A 25 25 TYR N N 25 115.954 119.168 -3.214 1
1 168 . 15 1 1 A 26 26 ALA H H 26 7.742 7.768 -0.026 1
1 169 . 15 1 1 A 26 26 ALA HA H 26 3.758 3.658 0.100 1
1 173 . 15 1 1 A 26 26 ALA C C 26 181.489 179.380 2.109 1
1 174 . 15 1 1 A 26 26 ALA CA C 26 54.859 54.562 0.297 1
1 175 . 15 1 1 A 26 26 ALA CB C 26 18.029 18.259 -0.230 1
1 176 . 15 1 1 A 26 26 ALA N N 26 121.384 121.205 0.179 1
1 177 . 15 1 1 A 27 27 LEU H H 27 7.991 8.032 -0.041 1
1 178 . 15 1 1 A 27 27 LEU HA H 27 4.023 3.991 0.032 1
1 188 . 15 1 1 A 27 27 LEU C C 27 178.625 178.078 0.547 1
1 189 . 15 1 1 A 27 27 LEU CA C 27 57.876 57.667 0.209 1
1 190 . 15 1 1 A 27 27 LEU CB C 27 42.103 41.588 0.515 1
1 194 . 15 1 1 A 27 27 LEU N N 27 120.626 119.452 1.174 1
1 195 . 15 1 1 A 28 28 PHE H H 28 7.706 7.796 -0.090 1
1 196 . 15 1 1 A 28 28 PHE HA H 28 3.653 4.042 -0.389 1
1 204 . 15 1 1 A 28 28 PHE C C 28 178.640 177.547 1.093 1
1 205 . 15 1 1 A 28 28 PHE CA C 28 61.653 59.525 2.128 1
1 206 . 15 1 1 A 28 28 PHE CB C 28 39.060 39.586 -0.526 1
1 212 . 15 1 1 A 28 28 PHE N N 28 122.656 119.481 3.175 1
1 213 . 15 1 1 A 29 29 PHE H H 29 9.246 8.188 1.058 1
1 214 . 15 1 1 A 29 29 PHE HA H 29 3.483 3.862 -0.379 1
1 222 . 15 1 1 A 29 29 PHE C C 29 177.478 177.491 -0.013 1
1 223 . 15 1 1 A 29 29 PHE CA C 29 61.126 60.296 0.830 1
1 224 . 15 1 1 A 29 29 PHE CB C 29 38.837 38.736 0.101 1
1 230 . 15 1 1 A 29 29 PHE N N 29 123.986 119.334 4.652 1
1 231 . 15 1 1 A 30 30 ARG H H 30 8.044 8.019 0.025 1
1 232 . 15 1 1 A 30 30 ARG HA H 30 4.046 4.161 -0.115 1
1 239 . 15 1 1 A 30 30 ARG C C 30 179.156 177.133 2.023 1
1 240 . 15 1 1 A 30 30 ARG CA C 30 59.542 58.048 1.494 1
1 241 . 15 1 1 A 30 30 ARG CB C 30 30.053 29.381 0.672 1
1 244 . 15 1 1 A 30 30 ARG N N 30 119.141 117.901 1.240 1
1 245 . 15 1 1 A 31 31 ASP H H 31 7.712 8.015 -0.303 1
1 246 . 15 1 1 A 31 31 ASP HA H 31 4.523 4.628 -0.105 1
1 249 . 15 1 1 A 31 31 ASP C C 31 177.850 178.083 -0.233 1
1 250 . 15 1 1 A 31 31 ASP CA C 31 56.516 56.201 0.315 1
1 251 . 15 1 1 A 31 31 ASP CB C 31 40.664 41.407 -0.743 1
1 252 . 15 1 1 A 31 31 ASP N N 31 118.527 119.228 -0.701 1
1 253 . 15 1 1 A 32 32 THR H H 32 7.704 7.213 0.491 1
1 254 . 15 1 1 A 32 32 THR HA H 32 3.953 3.862 0.091 1
1 259 . 15 1 1 A 32 32 THR C C 32 175.637 175.519 0.118 1
1 260 . 15 1 1 A 32 32 THR CA C 32 65.030 65.684 -0.654 1
1 261 . 15 1 1 A 32 32 THR CB C 32 69.195 68.569 0.626 1
1 263 . 15 1 1 A 32 32 THR N N 32 115.935 115.714 0.221 1
1 264 . 15 1 1 A 33 33 GLN H H 33 8.361 7.671 0.690 1
1 265 . 15 1 1 A 33 33 GLN HA H 33 3.373 3.622 -0.249 1
1 272 . 15 1 1 A 33 33 GLN C C 33 176.526 177.766 -1.240 1
1 273 . 15 1 1 A 33 33 GLN CA C 33 60.000 58.869 1.131 1
1 274 . 15 1 1 A 33 33 GLN CB C 33 26.827 28.137 -1.310 1
1 276 . 15 1 1 A 33 33 GLN N N 33 120.539 119.509 1.030 1
1 278 . 15 1 1 A 34 34 ALA H H 34 8.053 7.951 0.102 1
1 279 . 15 1 1 A 34 34 ALA HA H 34 3.964 3.947 0.017 1
1 283 . 15 1 1 A 34 34 ALA C C 34 180.762 179.888 0.874 1
1 284 . 15 1 1 A 34 34 ALA CA C 34 55.338 55.077 0.261 1
1 285 . 15 1 1 A 34 34 ALA CB C 34 17.724 18.462 -0.738 1
1 286 . 15 1 1 A 34 34 ALA N N 34 120.505 120.591 -0.086 1
1 287 . 15 1 1 A 35 35 ALA H H 35 7.763 8.123 -0.360 1
1 288 . 15 1 1 A 35 35 ALA HA H 35 4.135 4.089 0.046 1
1 292 . 15 1 1 A 35 35 ALA C C 35 180.801 180.406 0.395 1
1 293 . 15 1 1 A 35 35 ALA CA C 35 54.635 55.121 -0.486 1
1 294 . 15 1 1 A 35 35 ALA CB C 35 17.888 18.315 -0.427 1
1 295 . 15 1 1 A 35 35 ALA N N 35 122.109 120.276 1.833 1
1 296 . 15 1 1 A 36 36 ILE H H 36 7.673 8.056 -0.383 1
1 297 . 15 1 1 A 36 36 ILE HA H 36 3.753 3.705 0.048 1
1 307 . 15 1 1 A 36 36 ILE C C 36 179.213 178.137 1.076 1
1 308 . 15 1 1 A 36 36 ILE CA C 36 62.955 64.712 -1.757 1
1 309 . 15 1 1 A 36 36 ILE CB C 36 36.388 37.045 -0.657 1
1 313 . 15 1 1 A 36 36 ILE N N 36 118.252 119.207 -0.955 1
1 314 . 15 1 1 A 37 37 LYS H H 37 8.444 8.090 0.354 1
1 315 . 15 1 1 A 37 37 LYS HA H 37 3.982 3.902 0.080 1
1 324 . 15 1 1 A 37 37 LYS C C 37 178.872 179.103 -0.231 1
1 325 . 15 1 1 A 37 37 LYS CA C 37 58.715 59.601 -0.886 1
1 326 . 15 1 1 A 37 37 LYS CB C 37 31.802 31.856 -0.054 1
1 330 . 15 1 1 A 37 37 LYS N N 37 121.415 121.498 -0.083 1
1 331 . 15 1 1 A 38 38 GLY H H 38 7.873 8.048 -0.175 1
1 332 . 15 1 1 A 38 38 GLY HA2 H 38 3.849 3.942 -0.093 1
1 333 . 15 1 1 A 38 38 GLY HA3 H 38 3.849 3.944 -0.095 1
1 334 . 15 1 1 A 38 38 GLY C C 38 175.341 175.448 -0.107 1
1 335 . 15 1 1 A 38 38 GLY CA C 38 46.490 46.699 -0.209 1
1 336 . 15 1 1 A 38 38 GLY N N 38 104.723 106.873 -2.150 1
1 337 . 15 1 1 A 39 39 GLN H H 39 7.288 7.793 -0.505 1
1 338 . 15 1 1 A 39 39 GLN HA H 39 4.313 4.289 0.024 1
1 345 . 15 1 1 A 39 39 GLN C C 39 175.814 175.927 -0.113 1
1 346 . 15 1 1 A 39 39 GLN CA C 39 56.482 56.570 -0.088 1
1 347 . 15 1 1 A 39 39 GLN CB C 39 30.074 29.839 0.235 1
1 349 . 15 1 1 A 39 39 GLN N N 39 117.295 117.947 -0.652 1
1 351 . 15 1 1 A 40 40 ASN H H 40 7.780 7.956 -0.176 1
1 352 . 15 1 1 A 40 40 ASN HA H 40 5.159 5.190 -0.031 1
1 357 . 15 1 1 A 40 40 ASN C C 40 172.428 173.548 -1.120 1
1 358 . 15 1 1 A 40 40 ASN CA C 40 50.877 50.254 0.623 1
1 359 . 15 1 1 A 40 40 ASN CB C 40 39.595 38.646 0.949 1
1 360 . 15 1 1 A 40 40 ASN N N 40 115.989 117.269 -1.280 1
1 362 . 15 1 1 A 41 41 PRO HA H 41 4.523 4.242 0.281 1
1 369 . 15 1 1 A 41 41 PRO C C 41 177.550 177.750 -0.200 1
1 370 . 15 1 1 A 41 41 PRO CA C 41 64.837 64.962 -0.125 1
1 371 . 15 1 1 A 41 41 PRO CB C 41 32.073 31.982 0.091 1
1 374 . 15 1 1 A 42 42 ASN H H 42 8.363 8.341 0.022 1
1 375 . 15 1 1 A 42 42 ASN HA H 42 4.853 4.426 0.427 1
1 380 . 15 1 1 A 42 42 ASN C C 42 175.387 176.744 -1.357 1
1 381 . 15 1 1 A 42 42 ASN CA C 42 52.753 55.959 -3.206 1
1 382 . 15 1 1 A 42 42 ASN CB C 42 38.879 39.111 -0.232 1
1 383 . 15 1 1 A 42 42 ASN N N 42 114.677 115.383 -0.706 1
1 385 . 15 1 1 A 43 43 ALA H H 43 7.533 7.469 0.064 1
1 386 . 15 1 1 A 43 43 ALA HA H 43 4.443 4.230 0.213 1
1 390 . 15 1 1 A 43 43 ALA C C 43 178.490 176.845 1.645 1
1 391 . 15 1 1 A 43 43 ALA CA C 43 52.647 52.889 -0.242 1
1 392 . 15 1 1 A 43 43 ALA CB C 43 19.314 19.292 0.022 1
1 393 . 15 1 1 A 43 43 ALA N N 43 124.307 121.960 2.347 1
1 394 . 15 1 1 A 44 44 THR H H 44 8.698 8.676 0.022 1
1 395 . 15 1 1 A 44 44 THR HA H 44 4.482 4.507 -0.025 1
1 400 . 15 1 1 A 44 44 THR C C 44 175.408 174.144 1.264 1
1 401 . 15 1 1 A 44 44 THR CA C 44 60.791 60.217 0.574 1
1 402 . 15 1 1 A 44 44 THR CB C 44 71.516 69.632 1.884 1
1 404 . 15 1 1 A 44 44 THR N N 44 114.309 115.851 -1.542 1
1 405 . 15 1 1 A 45 45 PHE HA H 45 4.303 4.157 0.146 1
1 410 . 15 1 1 A 45 45 PHE CA C 45 61.982 61.160 0.822 1
1 411 . 15 1 1 A 45 45 PHE CB C 45 38.942 37.447 1.495 1
1 414 . 15 1 1 A 46 46 GLY HA2 H 46 3.962 3.832 0.130 1
1 415 . 15 1 1 A 46 46 GLY HA3 H 46 3.745 3.853 -0.108 1
1 416 . 15 1 1 A 46 46 GLY C C 46 176.621 176.270 0.351 1
1 417 . 15 1 1 A 46 46 GLY CA C 46 46.930 47.273 -0.343 1
1 418 . 15 1 1 A 47 47 GLU H H 47 7.692 8.109 -0.417 1
1 419 . 15 1 1 A 47 47 GLU HA H 47 4.053 4.131 -0.078 1
1 424 . 15 1 1 A 47 47 GLU C C 47 179.472 179.259 0.213 1
1 425 . 15 1 1 A 47 47 GLU CA C 47 59.296 59.314 -0.018 1
1 426 . 15 1 1 A 47 47 GLU CB C 47 29.769 29.511 0.258 1
1 428 . 15 1 1 A 47 47 GLU N N 47 123.040 121.806 1.234 1
1 429 . 15 1 1 A 48 48 VAL H H 48 8.504 7.998 0.506 1
1 430 . 15 1 1 A 48 48 VAL HA H 48 3.413 3.666 -0.253 1
1 438 . 15 1 1 A 48 48 VAL C C 48 177.640 178.134 -0.494 1
1 439 . 15 1 1 A 48 48 VAL CA C 48 67.159 66.029 1.130 1
1 440 . 15 1 1 A 48 48 VAL CB C 48 31.820 31.775 0.045 1
1 443 . 15 1 1 A 48 48 VAL N N 48 120.194 120.917 -0.723 1
1 444 . 15 1 1 A 49 49 SER H H 49 8.442 8.656 -0.214 1
1 445 . 15 1 1 A 49 49 SER HA H 49 4.093 4.320 -0.227 1
1 448 . 15 1 1 A 49 49 SER C C 49 176.016 176.587 -0.571 1
1 449 . 15 1 1 A 49 49 SER CA C 49 62.500 61.466 1.034 1
1 450 . 15 1 1 A 49 49 SER CB C 49 62.653 63.436 -0.783 1
1 451 . 15 1 1 A 49 49 SER N N 49 113.484 114.698 -1.214 1
1 452 . 15 1 1 A 50 50 LYS H H 50 7.474 8.144 -0.670 1
1 453 . 15 1 1 A 50 50 LYS HA H 50 4.132 4.071 0.061 1
1 462 . 15 1 1 A 50 50 LYS C C 50 179.463 179.564 -0.101 1
1 463 . 15 1 1 A 50 50 LYS CA C 50 59.525 59.575 -0.050 1
1 464 . 15 1 1 A 50 50 LYS CB C 50 32.606 32.252 0.354 1
1 468 . 15 1 1 A 50 50 LYS N N 50 120.865 120.328 0.537 1
1 469 . 15 1 1 A 51 51 ILE H H 51 7.853 7.657 0.196 1
1 470 . 15 1 1 A 51 51 ILE HA H 51 3.793 3.744 0.049 1
1 480 . 15 1 1 A 51 51 ILE C C 51 179.105 177.882 1.223 1
1 481 . 15 1 1 A 51 51 ILE CA C 51 65.488 65.087 0.401 1
1 482 . 15 1 1 A 51 51 ILE CB C 51 38.603 38.002 0.601 1
1 486 . 15 1 1 A 51 51 ILE N N 51 121.720 120.579 1.141 1
1 487 . 15 1 1 A 52 52 VAL H H 52 8.703 7.902 0.801 1
1 488 . 15 1 1 A 52 52 VAL HA H 52 3.659 3.631 0.028 1
1 496 . 15 1 1 A 52 52 VAL C C 52 178.262 178.204 0.058 1
1 497 . 15 1 1 A 52 52 VAL CA C 52 67.388 66.755 0.633 1
1 498 . 15 1 1 A 52 52 VAL CB C 52 31.185 31.554 -0.369 1
1 501 . 15 1 1 A 52 52 VAL N N 52 121.006 119.998 1.008 1
1 502 . 15 1 1 A 53 53 ALA H H 53 8.343 8.593 -0.250 1
1 503 . 15 1 1 A 53 53 ALA HA H 53 4.412 4.257 0.155 1
1 507 . 15 1 1 A 53 53 ALA C C 53 180.884 180.366 0.518 1
1 508 . 15 1 1 A 53 53 ALA CA C 53 56.271 55.892 0.379 1
1 509 . 15 1 1 A 53 53 ALA CB C 53 17.888 18.819 -0.931 1
1 510 . 15 1 1 A 53 53 ALA N N 53 122.645 122.410 0.235 1
1 511 . 15 1 1 A 54 54 SER H H 54 7.905 7.792 0.113 1
1 512 . 15 1 1 A 54 54 SER HA H 54 4.415 4.230 0.185 1
1 515 . 15 1 1 A 54 54 SER C C 54 177.818 176.829 0.989 1
1 516 . 15 1 1 A 54 54 SER CA C 54 61.635 61.944 -0.309 1
1 517 . 15 1 1 A 54 54 SER CB C 54 62.947 63.114 -0.167 1
1 518 . 15 1 1 A 54 54 SER N N 54 114.062 114.406 -0.344 1
1 519 . 15 1 1 A 55 55 MET H H 55 8.553 8.535 0.018 1
1 520 . 15 1 1 A 55 55 MET HA H 55 4.194 4.183 0.011 1
1 528 . 15 1 1 A 55 55 MET C C 55 179.156 178.607 0.549 1
1 529 . 15 1 1 A 55 55 MET CA C 55 59.190 58.698 0.492 1
1 530 . 15 1 1 A 55 55 MET CB C 55 33.551 33.489 0.062 1
1 533 . 15 1 1 A 55 55 MET N N 55 123.394 120.066 3.328 1
1 534 . 15 1 1 A 56 56 TRP H H 56 8.864 8.826 0.038 1
1 535 . 15 1 1 A 56 56 TRP HA H 56 3.899 3.894 0.005 1
1 544 . 15 1 1 A 56 56 TRP C C 56 178.213 177.978 0.235 1
1 545 . 15 1 1 A 56 56 TRP CA C 56 59.806 61.223 -1.417 1
1 546 . 15 1 1 A 56 56 TRP CB C 56 30.281 29.452 0.829 1
1 552 . 15 1 1 A 56 56 TRP N N 56 121.428 122.659 -1.231 1
1 554 . 15 1 1 A 57 57 ASP H H 57 8.061 8.849 -0.788 1
1 555 . 15 1 1 A 57 57 ASP HA H 57 4.253 4.373 -0.120 1
1 558 . 15 1 1 A 57 57 ASP C C 57 178.103 178.064 0.039 1
1 559 . 15 1 1 A 57 57 ASP CA C 57 57.186 56.888 0.298 1
1 560 . 15 1 1 A 57 57 ASP CB C 57 40.705 40.418 0.287 1
1 561 . 15 1 1 A 57 57 ASP N N 57 117.661 118.844 -1.183 1
1 562 . 15 1 1 A 58 58 GLY H H 58 7.481 7.843 -0.362 1
1 563 . 15 1 1 A 58 58 GLY HA2 H 58 4.202 3.948 0.254 1
1 564 . 15 1 1 A 58 58 GLY HA3 H 58 3.672 3.975 -0.303 1
1 565 . 15 1 1 A 58 58 GLY C C 58 174.062 174.163 -0.101 1
1 566 . 15 1 1 A 58 58 GLY CA C 58 44.872 45.228 -0.356 1
1 567 . 15 1 1 A 58 58 GLY N N 58 103.794 107.351 -3.557 1
1 568 . 15 1 1 A 59 59 LEU H H 59 7.153 7.375 -0.222 1
1 569 . 15 1 1 A 59 59 LEU HA H 59 4.123 4.024 0.099 1
1 579 . 15 1 1 A 59 59 LEU C C 59 177.880 176.895 0.985 1
1 580 . 15 1 1 A 59 59 LEU CA C 59 55.114 55.630 -0.516 1
1 581 . 15 1 1 A 59 59 LEU CB C 59 43.149 42.228 0.921 1
1 585 . 15 1 1 A 59 59 LEU N N 59 123.874 121.691 2.183 1
1 586 . 15 1 1 A 60 60 GLY H H 60 8.523 8.385 0.138 1
1 587 . 15 1 1 A 60 60 GLY HA2 H 60 4.091 3.981 0.110 1
1 588 . 15 1 1 A 60 60 GLY HA3 H 60 3.993 3.990 0.003 1
1 589 . 15 1 1 A 60 60 GLY C C 60 174.634 175.394 -0.760 1
1 590 . 15 1 1 A 60 60 GLY CA C 60 44.995 45.207 -0.212 1
1 591 . 15 1 1 A 60 60 GLY N N 60 110.475 109.647 0.828 1
1 592 . 15 1 1 A 61 61 GLU H H 61 8.743 8.783 -0.040 1
1 593 . 15 1 1 A 61 61 GLU HA H 61 3.873 3.861 0.012 1
1 598 . 15 1 1 A 61 61 GLU C C 61 178.841 178.027 0.814 1
1 599 . 15 1 1 A 61 61 GLU CA C 61 59.577 59.518 0.059 1
1 600 . 15 1 1 A 61 61 GLU CB C 61 29.299 29.265 0.034 1
1 602 . 15 1 1 A 61 61 GLU N N 61 122.609 121.100 1.509 1
1 603 . 15 1 1 A 62 62 GLU H H 62 9.063 7.992 1.071 1
1 604 . 15 1 1 A 62 62 GLU HA H 62 4.033 4.400 -0.367 1
1 609 . 15 1 1 A 62 62 GLU C C 62 179.086 179.036 0.050 1
1 610 . 15 1 1 A 62 62 GLU CA C 62 59.841 59.047 0.794 1
1 611 . 15 1 1 A 62 62 GLU CB C 62 28.660 29.261 -0.601 1
1 613 . 15 1 1 A 62 62 GLU N N 62 118.089 119.496 -1.407 1
1 614 . 15 1 1 A 63 63 GLN H H 63 7.563 7.614 -0.051 1
1 615 . 15 1 1 A 63 63 GLN HA H 63 4.282 3.998 0.284 1
1 622 . 15 1 1 A 63 63 GLN C C 63 179.406 178.972 0.434 1
1 623 . 15 1 1 A 63 63 GLN CA C 63 59.050 58.322 0.728 1
1 624 . 15 1 1 A 63 63 GLN CB C 63 29.089 28.117 0.972 1
1 626 . 15 1 1 A 63 63 GLN N N 63 118.216 119.656 -1.440 1
1 628 . 15 1 1 A 64 64 LYS H H 64 8.193 7.931 0.262 1
1 629 . 15 1 1 A 64 64 LYS HA H 64 3.933 3.808 0.125 1
1 638 . 15 1 1 A 64 64 LYS C C 64 179.858 179.129 0.729 1
1 639 . 15 1 1 A 64 64 LYS CA C 64 60.774 59.194 1.580 1
1 640 . 15 1 1 A 64 64 LYS CB C 64 33.100 32.000 1.100 1
1 644 . 15 1 1 A 64 64 LYS N N 64 119.928 120.604 -0.676 1
1 645 . 15 1 1 A 65 65 GLN H H 65 8.459 7.970 0.489 1
1 646 . 15 1 1 A 65 65 GLN HA H 65 4.056 4.149 -0.093 1
1 653 . 15 1 1 A 65 65 GLN C C 65 177.751 178.293 -0.542 1
1 654 . 15 1 1 A 65 65 GLN CA C 65 58.891 58.737 0.154 1
1 655 . 15 1 1 A 65 65 GLN CB C 65 28.167 28.398 -0.231 1
1 657 . 15 1 1 A 65 65 GLN N N 65 117.874 118.472 -0.598 1
1 659 . 15 1 1 A 66 66 VAL H H 66 7.408 7.987 -0.579 1
1 660 . 15 1 1 A 66 66 VAL HA H 66 3.653 3.701 -0.048 1
1 668 . 15 1 1 A 66 66 VAL C C 66 178.900 177.552 1.348 1
1 669 . 15 1 1 A 66 66 VAL CA C 66 66.860 65.401 1.459 1
1 670 . 15 1 1 A 66 66 VAL CB C 66 31.784 31.196 0.588 1
1 673 . 15 1 1 A 66 66 VAL N N 66 119.348 120.132 -0.784 1
1 674 . 15 1 1 A 67 67 TYR H H 67 7.229 7.588 -0.359 1
1 675 . 15 1 1 A 67 67 TYR HA H 67 4.151 4.417 -0.266 1
1 682 . 15 1 1 A 67 67 TYR C C 67 178.776 178.575 0.201 1
1 683 . 15 1 1 A 67 67 TYR CA C 67 63.307 60.886 2.421 1
1 684 . 15 1 1 A 67 67 TYR CB C 67 39.308 38.220 1.088 1
1 689 . 15 1 1 A 67 67 TYR N N 67 117.638 120.913 -3.275 1
1 690 . 15 1 1 A 68 68 LYS H H 68 8.554 8.572 -0.018 1
1 691 . 15 1 1 A 68 68 LYS HA H 68 4.195 4.287 -0.092 1
1 698 . 15 1 1 A 68 68 LYS C C 68 179.468 179.560 -0.092 1
1 699 . 15 1 1 A 68 68 LYS CA C 68 60.703 59.172 1.531 1
1 700 . 15 1 1 A 68 68 LYS CB C 68 32.154 32.559 -0.405 1
1 704 . 15 1 1 A 68 68 LYS N N 68 121.795 120.506 1.289 1
1 705 . 15 1 1 A 69 69 LYS H H 69 8.883 8.007 0.876 1
1 706 . 15 1 1 A 69 69 LYS HA H 69 4.171 4.120 0.051 1
1 715 . 15 1 1 A 69 69 LYS C C 69 180.214 179.347 0.867 1
1 716 . 15 1 1 A 69 69 LYS CA C 69 59.824 59.795 0.029 1
1 717 . 15 1 1 A 69 69 LYS CB C 69 32.072 32.069 0.003 1
1 721 . 15 1 1 A 69 69 LYS N N 69 120.539 119.885 0.654 1
1 722 . 15 1 1 A 70 70 LYS H H 70 7.791 7.832 -0.041 1
1 723 . 15 1 1 A 70 70 LYS HA H 70 4.211 4.096 0.115 1
1 732 . 15 1 1 A 70 70 LYS C C 70 179.985 179.375 0.610 1
1 733 . 15 1 1 A 70 70 LYS CA C 70 60.017 59.431 0.586 1
1 734 . 15 1 1 A 70 70 LYS CB C 70 33.200 32.524 0.676 1
1 738 . 15 1 1 A 70 70 LYS N N 70 119.946 119.856 0.090 1
1 739 . 15 1 1 A 71 71 THR H H 71 8.002 7.994 0.008 1
1 740 . 15 1 1 A 71 71 THR HA H 71 4.301 3.942 0.359 1
1 745 . 15 1 1 A 71 71 THR C C 71 176.462 176.561 -0.099 1
1 746 . 15 1 1 A 71 71 THR CA C 71 66.402 66.651 -0.249 1
1 747 . 15 1 1 A 71 71 THR CB C 71 68.949 68.756 0.193 1
1 749 . 15 1 1 A 71 71 THR N N 71 116.183 115.210 0.973 1
1 750 . 15 1 1 A 72 72 GLU H H 72 8.295 7.884 0.411 1
1 751 . 15 1 1 A 72 72 GLU HA H 72 4.143 4.089 0.054 1
1 756 . 15 1 1 A 72 72 GLU C C 72 179.498 179.010 0.488 1
1 757 . 15 1 1 A 72 72 GLU CA C 72 59.665 59.227 0.438 1
1 758 . 15 1 1 A 72 72 GLU CB C 72 29.400 29.669 -0.269 1
1 760 . 15 1 1 A 72 72 GLU N N 72 123.438 119.763 3.675 1
1 761 . 15 1 1 A 73 73 ALA H H 73 8.063 7.835 0.228 1
1 762 . 15 1 1 A 73 73 ALA HA H 73 4.262 4.230 0.032 1
1 766 . 15 1 1 A 73 73 ALA C C 73 180.639 179.261 1.378 1
1 767 . 15 1 1 A 73 73 ALA CA C 73 55.268 53.587 1.681 1
1 768 . 15 1 1 A 73 73 ALA CB C 73 17.824 18.390 -0.566 1
1 769 . 15 1 1 A 73 73 ALA N N 73 122.231 122.567 -0.336 1
1 770 . 15 1 1 A 74 74 ALA H H 74 8.093 8.013 0.080 1
1 771 . 15 1 1 A 74 74 ALA HA H 74 4.320 4.290 0.030 1
1 775 . 15 1 1 A 74 74 ALA C C 74 181.394 179.367 2.027 1
1 776 . 15 1 1 A 74 74 ALA CA C 74 54.904 54.409 0.495 1
1 777 . 15 1 1 A 74 74 ALA CB C 74 18.313 19.024 -0.711 1
1 778 . 15 1 1 A 74 74 ALA N N 74 121.882 119.895 1.987 1
1 779 . 15 1 1 A 75 75 LYS H H 75 8.661 8.243 0.418 1
1 780 . 15 1 1 A 75 75 LYS HA H 75 4.053 4.185 -0.132 1
1 786 . 15 1 1 A 75 75 LYS C C 75 178.096 178.928 -0.832 1
1 787 . 15 1 1 A 75 75 LYS CA C 75 60.510 59.094 1.416 1
1 788 . 15 1 1 A 75 75 LYS CB C 75 32.236 32.481 -0.245 1
1 792 . 15 1 1 A 75 75 LYS N N 75 121.652 116.882 4.770 1
1 793 . 15 1 1 A 76 76 LYS H H 76 7.855 7.872 -0.017 1
1 794 . 15 1 1 A 76 76 LYS HA H 76 4.110 4.001 0.109 1
1 799 . 15 1 1 A 76 76 LYS C C 76 179.822 178.674 1.148 1
1 800 . 15 1 1 A 76 76 LYS CA C 76 59.993 59.898 0.095 1
1 801 . 15 1 1 A 76 76 LYS CB C 76 32.401 32.434 -0.033 1
1 805 . 15 1 1 A 76 76 LYS N N 76 119.219 119.533 -0.314 1
1 806 . 15 1 1 A 77 77 GLU H H 77 7.880 8.211 -0.331 1
1 807 . 15 1 1 A 77 77 GLU HA H 77 4.233 4.077 0.156 1
1 812 . 15 1 1 A 77 77 GLU C C 77 178.358 178.173 0.185 1
1 813 . 15 1 1 A 77 77 GLU CA C 77 58.980 59.219 -0.239 1
1 814 . 15 1 1 A 77 77 GLU CB C 77 29.235 29.129 0.106 1
1 816 . 15 1 1 A 77 77 GLU N N 77 119.640 117.572 2.068 1
1 817 . 15 1 1 A 78 78 TYR H H 78 8.391 8.214 0.177 1
1 818 . 15 1 1 A 78 78 TYR HA H 78 4.413 4.069 0.344 1
1 825 . 15 1 1 A 78 78 TYR C C 78 176.737 177.267 -0.530 1
1 826 . 15 1 1 A 78 78 TYR CA C 78 60.809 61.115 -0.306 1
1 827 . 15 1 1 A 78 78 TYR CB C 78 38.239 38.571 -0.332 1
1 832 . 15 1 1 A 78 78 TYR N N 78 121.464 122.289 -0.825 1
1 833 . 15 1 1 A 79 79 LEU H H 79 8.203 8.204 -0.001 1
1 834 . 15 1 1 A 79 79 LEU HA H 79 3.764 3.525 0.239 1
1 844 . 15 1 1 A 79 79 LEU C C 79 180.728 179.088 1.640 1
1 845 . 15 1 1 A 79 79 LEU CA C 79 58.170 57.804 0.366 1
1 846 . 15 1 1 A 79 79 LEU CB C 79 41.445 41.462 -0.017 1
1 850 . 15 1 1 A 79 79 LEU N N 79 118.433 119.927 -1.494 1
1 851 . 15 1 1 A 80 80 LYS H H 80 7.523 7.968 -0.445 1
1 852 . 15 1 1 A 80 80 LYS HA H 80 4.134 3.782 0.352 1
1 861 . 15 1 1 A 80 80 LYS C C 80 179.804 179.819 -0.015 1
1 862 . 15 1 1 A 80 80 LYS CA C 80 59.630 60.414 -0.784 1
1 863 . 15 1 1 A 80 80 LYS CB C 80 32.400 32.212 0.188 1
1 867 . 15 1 1 A 80 80 LYS N N 80 120.723 117.420 3.303 1
1 868 . 15 1 1 A 81 81 GLN H H 81 8.473 8.143 0.330 1
1 869 . 15 1 1 A 81 81 GLN HA H 81 4.144 4.044 0.100 1
1 876 . 15 1 1 A 81 81 GLN C C 81 179.906 178.246 1.660 1
1 877 . 15 1 1 A 81 81 GLN CA C 81 58.628 58.696 -0.068 1
1 878 . 15 1 1 A 81 81 GLN CB C 81 28.273 28.363 -0.090 1
1 880 . 15 1 1 A 81 81 GLN N N 81 120.899 118.957 1.942 1
1 882 . 15 1 1 A 82 82 LEU H H 82 9.233 8.071 1.162 1
1 883 . 15 1 1 A 82 82 LEU HA H 82 3.963 4.103 -0.140 1
1 893 . 15 1 1 A 82 82 LEU C C 82 178.293 178.441 -0.148 1
1 894 . 15 1 1 A 82 82 LEU CA C 82 57.959 57.849 0.110 1
1 895 . 15 1 1 A 82 82 LEU CB C 82 42.044 41.081 0.963 1
1 899 . 15 1 1 A 82 82 LEU N N 82 123.463 121.997 1.466 1
1 900 . 15 1 1 A 83 83 ALA H H 83 7.732 7.942 -0.210 1
1 901 . 15 1 1 A 83 83 ALA HA H 83 4.223 4.032 0.191 1
1 905 . 15 1 1 A 83 83 ALA C C 83 180.853 179.303 1.550 1
1 906 . 15 1 1 A 83 83 ALA CA C 83 54.944 54.353 0.591 1
1 907 . 15 1 1 A 83 83 ALA CB C 83 17.765 18.337 -0.572 1
1 908 . 15 1 1 A 83 83 ALA N N 83 120.956 119.901 1.055 1
1 909 . 15 1 1 A 84 84 ALA H H 84 7.716 7.785 -0.069 1
1 910 . 15 1 1 A 84 84 ALA HA H 84 4.135 4.287 -0.152 1
1 914 . 15 1 1 A 84 84 ALA C C 84 180.256 178.840 1.416 1
1 915 . 15 1 1 A 84 84 ALA CA C 84 55.234 54.715 0.519 1
1 916 . 15 1 1 A 84 84 ALA CB C 84 17.806 19.239 -1.433 1
1 917 . 15 1 1 A 84 84 ALA N N 84 121.082 119.443 1.639 1
1 918 . 15 1 1 A 85 85 TYR H H 85 8.453 8.095 0.358 1
1 919 . 15 1 1 A 85 85 TYR HA H 85 4.310 3.995 0.315 1
1 926 . 15 1 1 A 85 85 TYR C C 85 178.538 177.449 1.089 1
1 927 . 15 1 1 A 85 85 TYR CA C 85 60.862 61.973 -1.111 1
1 928 . 15 1 1 A 85 85 TYR CB C 85 38.444 38.904 -0.460 1
1 933 . 15 1 1 A 85 85 TYR N N 85 121.359 120.044 1.315 1
1 934 . 15 1 1 A 86 86 ARG H H 86 8.734 7.846 0.888 1
1 935 . 15 1 1 A 86 86 ARG HA H 86 3.713 3.601 0.112 1
1 942 . 15 1 1 A 86 86 ARG C C 86 178.962 179.044 -0.082 1
1 943 . 15 1 1 A 86 86 ARG CA C 86 59.454 59.379 0.075 1
1 944 . 15 1 1 A 86 86 ARG CB C 86 29.605 29.987 -0.382 1
1 947 . 15 1 1 A 86 86 ARG N N 86 119.740 117.999 1.741 1
1 948 . 15 1 1 A 87 87 ALA H H 87 7.853 8.443 -0.590 1
1 949 . 15 1 1 A 87 87 ALA HA H 87 4.195 4.020 0.175 1
1 953 . 15 1 1 A 87 87 ALA C C 87 179.605 179.669 -0.064 1
1 954 . 15 1 1 A 87 87 ALA CA C 87 54.353 54.771 -0.418 1
1 955 . 15 1 1 A 87 87 ALA CB C 87 17.971 18.449 -0.478 1
1 956 . 15 1 1 A 87 87 ALA N N 87 120.667 121.982 -1.315 1
1 957 . 15 1 1 A 88 88 SER H H 88 7.763 7.829 -0.066 1
1 958 . 15 1 1 A 88 88 SER HA H 88 4.347 4.284 0.063 1
1 961 . 15 1 1 A 88 88 SER C C 88 175.219 176.621 -1.402 1
1 962 . 15 1 1 A 88 88 SER CA C 88 60.158 61.608 -1.450 1
1 963 . 15 1 1 A 88 88 SER CB C 88 63.440 63.293 0.147 1
1 964 . 15 1 1 A 88 88 SER N N 88 114.332 114.880 -0.548 1
1 965 . 15 1 1 A 89 89 LEU H H 89 7.344 7.747 -0.403 1
1 966 . 15 1 1 A 89 89 LEU HA H 89 4.163 4.193 -0.030 1
1 976 . 15 1 1 A 89 89 LEU C C 89 178.335 177.120 1.215 1
1 977 . 15 1 1 A 89 89 LEU CA C 89 56.059 56.779 -0.720 1
1 978 . 15 1 1 A 89 89 LEU CB C 89 42.062 42.877 -0.815 1
1 982 . 15 1 1 A 89 89 LEU N N 89 121.862 119.188 2.674 1
1 983 . 15 1 1 A 90 90 VAL H H 90 7.533 7.407 0.126 1
1 984 . 15 1 1 A 90 90 VAL HA H 90 4.063 4.094 -0.031 1
1 992 . 15 1 1 A 90 90 VAL C C 90 176.743 176.211 0.532 1
1 993 . 15 1 1 A 90 90 VAL CA C 90 63.183 61.594 1.589 1
1 994 . 15 1 1 A 90 90 VAL CB C 90 32.318 32.832 -0.514 1
1 997 . 15 1 1 A 90 90 VAL N N 90 117.748 118.480 -0.732 1
1 998 . 15 1 1 A 91 91 SER H H 91 8.059 8.645 -0.586 1
1 999 . 15 1 1 A 91 91 SER HA H 91 4.415 4.252 0.163 1
1 1002 . 15 1 1 A 91 91 SER C C 91 174.854 174.163 0.691 1
1 1003 . 15 1 1 A 91 91 SER CA C 91 58.861 61.045 -2.184 1
1 1004 . 15 1 1 A 91 91 SER CB C 91 63.810 63.183 0.627 1
1 1005 . 15 1 1 A 91 91 SER N N 91 117.663 116.311 1.352 1
1 1006 . 15 1 1 A 92 92 LYS H H 92 8.158 7.520 0.638 1
1 1007 . 15 1 1 A 92 92 LYS HA H 92 4.329 4.604 -0.275 1
1 1010 . 15 1 1 A 92 92 LYS C C 92 176.528 175.568 0.960 1
1 1011 . 15 1 1 A 92 92 LYS CA C 92 56.551 55.980 0.571 1
1 1012 . 15 1 1 A 92 92 LYS CB C 92 32.771 33.653 -0.882 1
1 1016 . 15 1 1 A 92 92 LYS N N 92 122.827 122.978 -0.151 1
1 1017 . 15 1 1 A 93 93 SER H H 93 8.186 8.814 -0.628 1
1 1018 . 15 1 1 A 93 93 SER HA H 93 4.444 5.501 -1.057 1
1 1021 . 15 1 1 A 93 93 SER C C 93 174.271 172.578 1.693 1
1 1022 . 15 1 1 A 93 93 SER CA C 93 58.504 56.450 2.054 1
1 1023 . 15 1 1 A 93 93 SER CB C 93 63.933 65.772 -1.839 1
1 1024 . 15 1 1 A 93 93 SER N N 93 116.068 119.980 -3.912 1
1 1025 . 15 1 1 A 94 94 TYR H H 94 8.146 9.078 -0.932 1
1 1026 . 15 1 1 A 94 94 TYR HA H 94 4.658 5.118 -0.460 1
1 1033 . 15 1 1 A 94 94 TYR C C 94 176.011 175.582 0.429 1
1 1034 . 15 1 1 A 94 94 TYR CA C 94 58.135 57.364 0.771 1
1 1035 . 15 1 1 A 94 94 TYR CB C 94 38.855 40.510 -1.655 1
1 1040 . 15 1 1 A 94 94 TYR N N 94 122.150 125.483 -3.333 1
1 1041 . 15 1 1 A 95 95 THR H H 95 8.024 8.606 -0.582 1
1 1042 . 15 1 1 A 95 95 THR HA H 95 4.333 4.304 0.029 1
1 1047 . 15 1 1 A 95 95 THR C C 95 174.054 173.868 0.186 1
1 1048 . 15 1 1 A 95 95 THR CA C 95 61.740 64.525 -2.785 1
1 1049 . 15 1 1 A 95 95 THR CB C 95 69.977 69.599 0.378 1
1 1051 . 15 1 1 A 95 95 THR N N 95 115.298 117.202 -1.904 1
1 1052 . 15 1 1 A 96 96 ASP H H 96 8.288 8.279 0.009 1
1 1053 . 15 1 1 A 96 96 ASP HA H 96 4.663 4.441 0.222 1
1 1056 . 15 1 1 A 96 96 ASP C C 96 176.252 175.200 1.052 1
1 1057 . 15 1 1 A 96 96 ASP CA C 96 54.494 54.855 -0.361 1
1 1058 . 15 1 1 A 96 96 ASP CB C 96 41.404 39.542 1.862 1
1 1059 . 15 1 1 A 96 96 ASP N N 96 122.969 119.273 3.696 1
1 1060 . 15 1 1 A 97 97 SER H H 97 8.272 8.013 0.259 1
1 1061 . 15 1 1 A 97 97 SER HA H 97 4.500 4.665 -0.165 1
1 1063 . 15 1 1 A 97 97 SER C C 97 174.845 174.421 0.424 1
1 1064 . 15 1 1 A 97 97 SER CA C 97 58.522 57.914 0.608 1
1 1065 . 15 1 1 A 97 97 SER CB C 97 63.656 64.875 -1.219 1
1 1066 . 15 1 1 A 97 97 SER N N 97 116.137 115.035 1.102 1
1 1067 . 15 1 1 A 98 98 GLY H H 98 8.289 8.382 -0.093 1
1 1068 . 15 1 1 A 98 98 GLY HA2 H 98 4.123 4.072 0.051 1
1 1069 . 15 1 1 A 98 98 GLY HA3 H 98 4.123 4.074 0.049 1
1 1070 . 15 1 1 A 98 98 GLY C C 98 171.920 173.232 -1.312 1
1 1071 . 15 1 1 A 98 98 GLY CA C 98 44.748 44.579 0.169 1
1 1072 . 15 1 1 A 98 98 GLY N N 98 110.751 107.713 3.038 1
1 1073 . 15 1 1 A 99 99 PRO HA H 99 4.490 4.683 -0.193 1
1 1080 . 15 1 1 A 99 99 PRO CA C 99 63.373 62.834 0.539 1
1 1081 . 15 1 1 A 99 99 PRO CB C 99 32.247 33.413 -1.166 1
1 1 . 16 1 1 A 12 12 LYS HA H 12 4.317 4.805 -0.488 1
1 6 . 16 1 1 A 12 12 LYS C C 12 176.329 175.047 1.282 1
1 7 . 16 1 1 A 12 12 LYS CA C 12 56.223 54.574 1.649 1
1 8 . 16 1 1 A 12 12 LYS CB C 12 33.117 36.777 -3.660 1
1 12 . 16 1 1 A 13 13 LYS H H 13 8.394 8.418 -0.024 1
1 13 . 16 1 1 A 13 13 LYS HA H 13 4.273 4.556 -0.283 1
1 18 . 16 1 1 A 13 13 LYS C C 13 175.990 176.674 -0.684 1
1 19 . 16 1 1 A 13 13 LYS CA C 13 56.222 54.820 1.402 1
1 20 . 16 1 1 A 13 13 LYS CB C 13 33.223 33.835 -0.612 1
1 24 . 16 1 1 A 13 13 LYS N N 13 123.900 121.470 2.430 1
1 25 . 16 1 1 A 14 14 ASP H H 14 8.625 8.577 0.048 1
1 26 . 16 1 1 A 14 14 ASP HA H 14 4.902 4.669 0.233 1
1 29 . 16 1 1 A 14 14 ASP CA C 14 51.958 52.854 -0.896 1
1 30 . 16 1 1 A 14 14 ASP CB C 14 41.422 40.176 1.246 1
1 31 . 16 1 1 A 14 14 ASP N N 14 124.861 121.873 2.988 1
1 32 . 16 1 1 A 15 15 PRO HA H 15 4.442 4.654 -0.212 1
1 39 . 16 1 1 A 15 15 PRO C C 15 176.634 175.832 0.802 1
1 40 . 16 1 1 A 15 15 PRO CA C 15 63.606 62.825 0.781 1
1 41 . 16 1 1 A 15 15 PRO CB C 15 32.323 31.815 0.508 1
1 44 . 16 1 1 A 16 16 ASN H H 16 8.414 8.956 -0.542 1
1 45 . 16 1 1 A 16 16 ASN HA H 16 4.683 4.772 -0.089 1
1 50 . 16 1 1 A 16 16 ASN C C 16 174.365 174.335 0.030 1
1 51 . 16 1 1 A 16 16 ASN CA C 16 52.946 54.466 -1.520 1
1 52 . 16 1 1 A 16 16 ASN CB C 16 39.266 40.324 -1.058 1
1 53 . 16 1 1 A 16 16 ASN N N 16 116.873 120.135 -3.262 1
1 55 . 16 1 1 A 17 17 GLU H H 17 7.712 7.993 -0.281 1
1 56 . 16 1 1 A 17 17 GLU HA H 17 3.233 3.733 -0.500 1
1 61 . 16 1 1 A 17 17 GLU C C 17 174.415 174.971 -0.556 1
1 62 . 16 1 1 A 17 17 GLU CA C 17 54.423 54.560 -0.137 1
1 63 . 16 1 1 A 17 17 GLU CB C 17 29.911 29.962 -0.051 1
1 65 . 16 1 1 A 17 17 GLU N N 17 122.673 118.956 3.717 1
1 66 . 16 1 1 A 18 18 PRO HA H 18 4.384 4.570 -0.186 1
1 73 . 16 1 1 A 18 18 PRO CA C 18 62.896 62.714 0.182 1
1 74 . 16 1 1 A 18 18 PRO CB C 18 31.963 32.104 -0.141 1
1 77 . 16 1 1 A 19 19 GLN H H 19 8.654 8.498 0.156 1
1 78 . 16 1 1 A 19 19 GLN HA H 19 4.293 4.734 -0.441 1
1 85 . 16 1 1 A 19 19 GLN C C 19 175.384 175.123 0.261 1
1 86 . 16 1 1 A 19 19 GLN CA C 19 55.057 55.117 -0.060 1
1 87 . 16 1 1 A 19 19 GLN CB C 19 29.793 30.188 -0.395 1
1 89 . 16 1 1 A 19 19 GLN N N 19 122.106 120.367 1.739 1
1 91 . 16 1 1 A 20 20 LYS H H 20 8.383 8.281 0.102 1
1 92 . 16 1 1 A 20 20 LYS HA H 20 3.393 2.982 0.411 1
1 101 . 16 1 1 A 20 20 LYS C C 20 174.706 175.092 -0.386 1
1 102 . 16 1 1 A 20 20 LYS CA C 20 54.951 53.639 1.312 1
1 103 . 16 1 1 A 20 20 LYS CB C 20 31.802 32.408 -0.606 1
1 107 . 16 1 1 A 20 20 LYS N N 20 124.861 125.109 -0.248 1
1 108 . 16 1 1 A 21 21 PRO HA H 21 4.500 4.548 -0.048 1
1 115 . 16 1 1 A 21 21 PRO C C 21 176.741 175.832 0.909 1
1 116 . 16 1 1 A 21 21 PRO CA C 21 62.396 62.252 0.144 1
1 117 . 16 1 1 A 21 21 PRO CB C 21 32.392 32.815 -0.423 1
1 120 . 16 1 1 A 22 22 VAL H H 22 7.850 8.231 -0.381 1
1 121 . 16 1 1 A 22 22 VAL HA H 22 4.303 4.750 -0.447 1
1 129 . 16 1 1 A 22 22 VAL C C 22 175.615 174.623 0.992 1
1 130 . 16 1 1 A 22 22 VAL CA C 22 60.967 59.175 1.792 1
1 131 . 16 1 1 A 22 22 VAL CB C 22 32.342 35.732 -3.390 1
1 134 . 16 1 1 A 22 22 VAL N N 22 115.924 114.090 1.834 1
1 135 . 16 1 1 A 23 23 SER H H 23 8.125 8.494 -0.369 1
1 136 . 16 1 1 A 23 23 SER HA H 23 4.433 4.460 -0.027 1
1 139 . 16 1 1 A 23 23 SER C C 23 173.516 175.590 -2.074 1
1 140 . 16 1 1 A 23 23 SER CA C 23 57.590 58.890 -1.300 1
1 141 . 16 1 1 A 23 23 SER CB C 23 65.578 63.880 1.698 1
1 142 . 16 1 1 A 23 23 SER N N 23 116.922 117.515 -0.593 1
1 143 . 16 1 1 A 24 24 ALA H H 24 8.707 9.021 -0.314 1
1 144 . 16 1 1 A 24 24 ALA HA H 24 4.046 4.099 -0.053 1
1 148 . 16 1 1 A 24 24 ALA C C 24 178.727 179.031 -0.304 1
1 149 . 16 1 1 A 24 24 ALA CA C 24 55.971 55.307 0.664 1
1 150 . 16 1 1 A 24 24 ALA CB C 24 18.505 18.591 -0.086 1
1 151 . 16 1 1 A 24 24 ALA N N 24 123.025 128.390 -5.365 1
1 152 . 16 1 1 A 25 25 TYR H H 25 8.119 8.032 0.087 1
1 153 . 16 1 1 A 25 25 TYR HA H 25 2.678 2.331 0.347 1
1 160 . 16 1 1 A 25 25 TYR C C 25 176.253 177.398 -1.145 1
1 161 . 16 1 1 A 25 25 TYR CA C 25 60.281 60.657 -0.376 1
1 162 . 16 1 1 A 25 25 TYR CB C 25 37.951 37.951 0.000 1
1 167 . 16 1 1 A 25 25 TYR N N 25 115.954 119.156 -3.202 1
1 168 . 16 1 1 A 26 26 ALA H H 26 7.742 7.636 0.106 1
1 169 . 16 1 1 A 26 26 ALA HA H 26 3.758 3.686 0.072 1
1 173 . 16 1 1 A 26 26 ALA C C 26 181.489 179.390 2.099 1
1 174 . 16 1 1 A 26 26 ALA CA C 26 54.859 54.599 0.260 1
1 175 . 16 1 1 A 26 26 ALA CB C 26 18.029 18.171 -0.142 1
1 176 . 16 1 1 A 26 26 ALA N N 26 121.384 121.233 0.151 1
1 177 . 16 1 1 A 27 27 LEU H H 27 7.991 8.245 -0.254 1
1 178 . 16 1 1 A 27 27 LEU HA H 27 4.023 4.023 0.000 1
1 188 . 16 1 1 A 27 27 LEU C C 27 178.625 177.891 0.734 1
1 189 . 16 1 1 A 27 27 LEU CA C 27 57.876 57.711 0.165 1
1 190 . 16 1 1 A 27 27 LEU CB C 27 42.103 41.587 0.516 1
1 194 . 16 1 1 A 27 27 LEU N N 27 120.626 119.163 1.463 1
1 195 . 16 1 1 A 28 28 PHE H H 28 7.706 7.337 0.369 1
1 196 . 16 1 1 A 28 28 PHE HA H 28 3.653 4.133 -0.480 1
1 204 . 16 1 1 A 28 28 PHE C C 28 178.640 177.352 1.288 1
1 205 . 16 1 1 A 28 28 PHE CA C 28 61.653 59.571 2.082 1
1 206 . 16 1 1 A 28 28 PHE CB C 28 39.060 39.599 -0.539 1
1 212 . 16 1 1 A 28 28 PHE N N 28 122.656 119.674 2.982 1
1 213 . 16 1 1 A 29 29 PHE H H 29 9.246 8.118 1.128 1
1 214 . 16 1 1 A 29 29 PHE HA H 29 3.483 3.821 -0.338 1
1 222 . 16 1 1 A 29 29 PHE C C 29 177.478 177.578 -0.100 1
1 223 . 16 1 1 A 29 29 PHE CA C 29 61.126 60.500 0.626 1
1 224 . 16 1 1 A 29 29 PHE CB C 29 38.837 38.836 0.001 1
1 230 . 16 1 1 A 29 29 PHE N N 29 123.986 119.335 4.651 1
1 231 . 16 1 1 A 30 30 ARG H H 30 8.044 7.942 0.102 1
1 232 . 16 1 1 A 30 30 ARG HA H 30 4.046 4.136 -0.090 1
1 239 . 16 1 1 A 30 30 ARG C C 30 179.156 177.679 1.477 1
1 240 . 16 1 1 A 30 30 ARG CA C 30 59.542 58.452 1.090 1
1 241 . 16 1 1 A 30 30 ARG CB C 30 30.053 29.878 0.175 1
1 244 . 16 1 1 A 30 30 ARG N N 30 119.141 118.331 0.810 1
1 245 . 16 1 1 A 31 31 ASP H H 31 7.712 7.977 -0.265 1
1 246 . 16 1 1 A 31 31 ASP HA H 31 4.523 4.406 0.117 1
1 249 . 16 1 1 A 31 31 ASP C C 31 177.850 177.696 0.154 1
1 250 . 16 1 1 A 31 31 ASP CA C 31 56.516 56.686 -0.170 1
1 251 . 16 1 1 A 31 31 ASP CB C 31 40.664 40.808 -0.144 1
1 252 . 16 1 1 A 31 31 ASP N N 31 118.527 119.767 -1.240 1
1 253 . 16 1 1 A 32 32 THR H H 32 7.704 6.971 0.733 1
1 254 . 16 1 1 A 32 32 THR HA H 32 3.953 3.911 0.042 1
1 259 . 16 1 1 A 32 32 THR C C 32 175.637 175.708 -0.071 1
1 260 . 16 1 1 A 32 32 THR CA C 32 65.030 65.474 -0.444 1
1 261 . 16 1 1 A 32 32 THR CB C 32 69.195 68.684 0.511 1
1 263 . 16 1 1 A 32 32 THR N N 32 115.935 114.678 1.257 1
1 264 . 16 1 1 A 33 33 GLN H H 33 8.361 7.732 0.629 1
1 265 . 16 1 1 A 33 33 GLN HA H 33 3.373 3.625 -0.252 1
1 272 . 16 1 1 A 33 33 GLN C C 33 176.526 177.826 -1.300 1
1 273 . 16 1 1 A 33 33 GLN CA C 33 60.000 58.892 1.108 1
1 274 . 16 1 1 A 33 33 GLN CB C 33 26.827 28.227 -1.400 1
1 276 . 16 1 1 A 33 33 GLN N N 33 120.539 119.516 1.023 1
1 278 . 16 1 1 A 34 34 ALA H H 34 8.053 8.085 -0.032 1
1 279 . 16 1 1 A 34 34 ALA HA H 34 3.964 4.013 -0.049 1
1 283 . 16 1 1 A 34 34 ALA C C 34 180.762 179.772 0.990 1
1 284 . 16 1 1 A 34 34 ALA CA C 34 55.338 55.043 0.295 1
1 285 . 16 1 1 A 34 34 ALA CB C 34 17.724 18.589 -0.865 1
1 286 . 16 1 1 A 34 34 ALA N N 34 120.505 120.852 -0.347 1
1 287 . 16 1 1 A 35 35 ALA H H 35 7.763 8.043 -0.280 1
1 288 . 16 1 1 A 35 35 ALA HA H 35 4.135 4.054 0.081 1
1 292 . 16 1 1 A 35 35 ALA C C 35 180.801 179.581 1.220 1
1 293 . 16 1 1 A 35 35 ALA CA C 35 54.635 54.915 -0.280 1
1 294 . 16 1 1 A 35 35 ALA CB C 35 17.888 18.456 -0.568 1
1 295 . 16 1 1 A 35 35 ALA N N 35 122.109 120.677 1.432 1
1 296 . 16 1 1 A 36 36 ILE H H 36 7.673 7.930 -0.257 1
1 297 . 16 1 1 A 36 36 ILE HA H 36 3.753 3.565 0.188 1
1 307 . 16 1 1 A 36 36 ILE C C 36 179.213 177.662 1.551 1
1 308 . 16 1 1 A 36 36 ILE CA C 36 62.955 65.341 -2.386 1
1 309 . 16 1 1 A 36 36 ILE CB C 36 36.388 37.879 -1.491 1
1 313 . 16 1 1 A 36 36 ILE N N 36 118.252 118.911 -0.659 1
1 314 . 16 1 1 A 37 37 LYS H H 37 8.444 8.417 0.027 1
1 315 . 16 1 1 A 37 37 LYS HA H 37 3.982 4.112 -0.130 1
1 324 . 16 1 1 A 37 37 LYS C C 37 178.872 179.488 -0.616 1
1 325 . 16 1 1 A 37 37 LYS CA C 37 58.715 59.748 -1.033 1
1 326 . 16 1 1 A 37 37 LYS CB C 37 31.802 32.238 -0.436 1
1 330 . 16 1 1 A 37 37 LYS N N 37 121.415 119.345 2.070 1
1 331 . 16 1 1 A 38 38 GLY H H 38 7.873 8.016 -0.143 1
1 332 . 16 1 1 A 38 38 GLY HA2 H 38 3.849 3.920 -0.071 1
1 333 . 16 1 1 A 38 38 GLY HA3 H 38 3.849 3.925 -0.076 1
1 334 . 16 1 1 A 38 38 GLY C C 38 175.341 174.977 0.364 1
1 335 . 16 1 1 A 38 38 GLY CA C 38 46.490 46.982 -0.492 1
1 336 . 16 1 1 A 38 38 GLY N N 38 104.723 107.115 -2.392 1
1 337 . 16 1 1 A 39 39 GLN H H 39 7.288 7.682 -0.394 1
1 338 . 16 1 1 A 39 39 GLN HA H 39 4.313 4.395 -0.082 1
1 345 . 16 1 1 A 39 39 GLN C C 39 175.814 175.951 -0.137 1
1 346 . 16 1 1 A 39 39 GLN CA C 39 56.482 55.995 0.487 1
1 347 . 16 1 1 A 39 39 GLN CB C 39 30.074 30.394 -0.320 1
1 349 . 16 1 1 A 39 39 GLN N N 39 117.295 117.847 -0.552 1
1 351 . 16 1 1 A 40 40 ASN H H 40 7.780 8.074 -0.294 1
1 352 . 16 1 1 A 40 40 ASN HA H 40 5.159 5.208 -0.049 1
1 357 . 16 1 1 A 40 40 ASN C C 40 172.428 173.568 -1.140 1
1 358 . 16 1 1 A 40 40 ASN CA C 40 50.877 50.350 0.527 1
1 359 . 16 1 1 A 40 40 ASN CB C 40 39.595 38.700 0.895 1
1 360 . 16 1 1 A 40 40 ASN N N 40 115.989 117.560 -1.571 1
1 362 . 16 1 1 A 41 41 PRO HA H 41 4.523 4.341 0.182 1
1 369 . 16 1 1 A 41 41 PRO C C 41 177.550 178.408 -0.858 1
1 370 . 16 1 1 A 41 41 PRO CA C 41 64.837 64.695 0.142 1
1 371 . 16 1 1 A 41 41 PRO CB C 41 32.073 31.988 0.085 1
1 374 . 16 1 1 A 42 42 ASN H H 42 8.363 8.731 -0.368 1
1 375 . 16 1 1 A 42 42 ASN HA H 42 4.853 4.486 0.367 1
1 380 . 16 1 1 A 42 42 ASN C C 42 175.387 176.934 -1.547 1
1 381 . 16 1 1 A 42 42 ASN CA C 42 52.753 56.059 -3.306 1
1 382 . 16 1 1 A 42 42 ASN CB C 42 38.879 37.953 0.926 1
1 383 . 16 1 1 A 42 42 ASN N N 42 114.677 116.109 -1.432 1
1 385 . 16 1 1 A 43 43 ALA H H 43 7.533 7.575 -0.042 1
1 386 . 16 1 1 A 43 43 ALA HA H 43 4.443 4.243 0.200 1
1 390 . 16 1 1 A 43 43 ALA C C 43 178.490 177.172 1.318 1
1 391 . 16 1 1 A 43 43 ALA CA C 43 52.647 52.548 0.099 1
1 392 . 16 1 1 A 43 43 ALA CB C 43 19.314 18.915 0.399 1
1 393 . 16 1 1 A 43 43 ALA N N 43 124.307 122.353 1.954 1
1 394 . 16 1 1 A 44 44 THR H H 44 8.698 8.591 0.107 1
1 395 . 16 1 1 A 44 44 THR HA H 44 4.482 4.567 -0.085 1
1 400 . 16 1 1 A 44 44 THR C C 44 175.408 175.141 0.267 1
1 401 . 16 1 1 A 44 44 THR CA C 44 60.791 61.449 -0.658 1
1 402 . 16 1 1 A 44 44 THR CB C 44 71.516 70.833 0.683 1
1 404 . 16 1 1 A 44 44 THR N N 44 114.309 117.037 -2.728 1
1 405 . 16 1 1 A 45 45 PHE HA H 45 4.303 4.150 0.153 1
1 410 . 16 1 1 A 45 45 PHE CA C 45 61.982 61.883 0.099 1
1 411 . 16 1 1 A 45 45 PHE CB C 45 38.942 39.792 -0.850 1
1 414 . 16 1 1 A 46 46 GLY HA2 H 46 3.962 3.698 0.264 1
1 415 . 16 1 1 A 46 46 GLY HA3 H 46 3.745 3.724 0.021 1
1 416 . 16 1 1 A 46 46 GLY C C 46 176.621 176.289 0.332 1
1 417 . 16 1 1 A 46 46 GLY CA C 46 46.930 47.176 -0.246 1
1 418 . 16 1 1 A 47 47 GLU H H 47 7.692 8.038 -0.346 1
1 419 . 16 1 1 A 47 47 GLU HA H 47 4.053 4.047 0.006 1
1 424 . 16 1 1 A 47 47 GLU C C 47 179.472 178.962 0.510 1
1 425 . 16 1 1 A 47 47 GLU CA C 47 59.296 59.522 -0.226 1
1 426 . 16 1 1 A 47 47 GLU CB C 47 29.769 29.443 0.326 1
1 428 . 16 1 1 A 47 47 GLU N N 47 123.040 121.817 1.223 1
1 429 . 16 1 1 A 48 48 VAL H H 48 8.504 8.006 0.498 1
1 430 . 16 1 1 A 48 48 VAL HA H 48 3.413 3.554 -0.141 1
1 438 . 16 1 1 A 48 48 VAL C C 48 177.640 178.137 -0.497 1
1 439 . 16 1 1 A 48 48 VAL CA C 48 67.159 66.431 0.728 1
1 440 . 16 1 1 A 48 48 VAL CB C 48 31.820 31.513 0.307 1
1 443 . 16 1 1 A 48 48 VAL N N 48 120.194 120.670 -0.476 1
1 444 . 16 1 1 A 49 49 SER H H 49 8.442 7.918 0.524 1
1 445 . 16 1 1 A 49 49 SER HA H 49 4.093 4.190 -0.097 1
1 448 . 16 1 1 A 49 49 SER C C 49 176.016 176.578 -0.562 1
1 449 . 16 1 1 A 49 49 SER CA C 49 62.500 61.887 0.613 1
1 450 . 16 1 1 A 49 49 SER CB C 49 62.653 62.957 -0.304 1
1 451 . 16 1 1 A 49 49 SER N N 49 113.484 116.233 -2.749 1
1 452 . 16 1 1 A 50 50 LYS H H 50 7.474 8.039 -0.565 1
1 453 . 16 1 1 A 50 50 LYS HA H 50 4.132 4.055 0.077 1
1 462 . 16 1 1 A 50 50 LYS C C 50 179.463 178.738 0.725 1
1 463 . 16 1 1 A 50 50 LYS CA C 50 59.525 59.286 0.239 1
1 464 . 16 1 1 A 50 50 LYS CB C 50 32.606 32.280 0.326 1
1 468 . 16 1 1 A 50 50 LYS N N 50 120.865 121.416 -0.551 1
1 469 . 16 1 1 A 51 51 ILE H H 51 7.853 7.492 0.361 1
1 470 . 16 1 1 A 51 51 ILE HA H 51 3.793 3.799 -0.006 1
1 480 . 16 1 1 A 51 51 ILE C C 51 179.105 177.869 1.236 1
1 481 . 16 1 1 A 51 51 ILE CA C 51 65.488 64.628 0.860 1
1 482 . 16 1 1 A 51 51 ILE CB C 51 38.603 38.008 0.595 1
1 486 . 16 1 1 A 51 51 ILE N N 51 121.720 120.130 1.590 1
1 487 . 16 1 1 A 52 52 VAL H H 52 8.703 7.532 1.171 1
1 488 . 16 1 1 A 52 52 VAL HA H 52 3.659 3.563 0.096 1
1 496 . 16 1 1 A 52 52 VAL C C 52 178.262 178.173 0.089 1
1 497 . 16 1 1 A 52 52 VAL CA C 52 67.388 66.853 0.535 1
1 498 . 16 1 1 A 52 52 VAL CB C 52 31.185 31.575 -0.390 1
1 501 . 16 1 1 A 52 52 VAL N N 52 121.006 119.948 1.058 1
1 502 . 16 1 1 A 53 53 ALA H H 53 8.343 8.561 -0.218 1
1 503 . 16 1 1 A 53 53 ALA HA H 53 4.412 4.428 -0.016 1
1 507 . 16 1 1 A 53 53 ALA C C 53 180.884 179.964 0.920 1
1 508 . 16 1 1 A 53 53 ALA CA C 53 56.271 55.566 0.705 1
1 509 . 16 1 1 A 53 53 ALA CB C 53 17.888 18.520 -0.632 1
1 510 . 16 1 1 A 53 53 ALA N N 53 122.645 122.264 0.381 1
1 511 . 16 1 1 A 54 54 SER H H 54 7.905 8.372 -0.467 1
1 512 . 16 1 1 A 54 54 SER HA H 54 4.415 4.260 0.155 1
1 515 . 16 1 1 A 54 54 SER C C 54 177.818 177.494 0.324 1
1 516 . 16 1 1 A 54 54 SER CA C 54 61.635 61.436 0.199 1
1 517 . 16 1 1 A 54 54 SER CB C 54 62.947 62.601 0.346 1
1 518 . 16 1 1 A 54 54 SER N N 54 114.062 113.052 1.010 1
1 519 . 16 1 1 A 55 55 MET H H 55 8.553 8.852 -0.299 1
1 520 . 16 1 1 A 55 55 MET HA H 55 4.194 4.178 0.016 1
1 528 . 16 1 1 A 55 55 MET C C 55 179.156 178.454 0.702 1
1 529 . 16 1 1 A 55 55 MET CA C 55 59.190 58.708 0.482 1
1 530 . 16 1 1 A 55 55 MET CB C 55 33.551 33.823 -0.272 1
1 533 . 16 1 1 A 55 55 MET N N 55 123.394 119.672 3.722 1
1 534 . 16 1 1 A 56 56 TRP H H 56 8.864 8.911 -0.047 1
1 535 . 16 1 1 A 56 56 TRP HA H 56 3.899 3.719 0.180 1
1 544 . 16 1 1 A 56 56 TRP C C 56 178.213 178.037 0.176 1
1 545 . 16 1 1 A 56 56 TRP CA C 56 59.806 60.913 -1.107 1
1 546 . 16 1 1 A 56 56 TRP CB C 56 30.281 29.388 0.893 1
1 552 . 16 1 1 A 56 56 TRP N N 56 121.428 122.654 -1.226 1
1 554 . 16 1 1 A 57 57 ASP H H 57 8.061 8.309 -0.248 1
1 555 . 16 1 1 A 57 57 ASP HA H 57 4.253 4.344 -0.091 1
1 558 . 16 1 1 A 57 57 ASP C C 57 178.103 177.403 0.700 1
1 559 . 16 1 1 A 57 57 ASP CA C 57 57.186 56.685 0.501 1
1 560 . 16 1 1 A 57 57 ASP CB C 57 40.705 40.440 0.265 1
1 561 . 16 1 1 A 57 57 ASP N N 57 117.661 118.631 -0.970 1
1 562 . 16 1 1 A 58 58 GLY H H 58 7.481 7.810 -0.329 1
1 563 . 16 1 1 A 58 58 GLY HA2 H 58 4.202 3.947 0.255 1
1 564 . 16 1 1 A 58 58 GLY HA3 H 58 3.672 3.985 -0.313 1
1 565 . 16 1 1 A 58 58 GLY C C 58 174.062 172.983 1.079 1
1 566 . 16 1 1 A 58 58 GLY CA C 58 44.872 45.466 -0.594 1
1 567 . 16 1 1 A 58 58 GLY N N 58 103.794 106.870 -3.076 1
1 568 . 16 1 1 A 59 59 LEU H H 59 7.153 7.329 -0.176 1
1 569 . 16 1 1 A 59 59 LEU HA H 59 4.123 4.400 -0.277 1
1 579 . 16 1 1 A 59 59 LEU C C 59 177.880 177.234 0.646 1
1 580 . 16 1 1 A 59 59 LEU CA C 59 55.114 53.820 1.294 1
1 581 . 16 1 1 A 59 59 LEU CB C 59 43.149 42.812 0.337 1
1 585 . 16 1 1 A 59 59 LEU N N 59 123.874 121.262 2.612 1
1 586 . 16 1 1 A 60 60 GLY H H 60 8.523 8.148 0.375 1
1 587 . 16 1 1 A 60 60 GLY HA2 H 60 4.091 3.982 0.109 1
1 588 . 16 1 1 A 60 60 GLY HA3 H 60 3.993 3.996 -0.003 1
1 589 . 16 1 1 A 60 60 GLY C C 60 174.634 175.927 -1.293 1
1 590 . 16 1 1 A 60 60 GLY CA C 60 44.995 45.217 -0.222 1
1 591 . 16 1 1 A 60 60 GLY N N 60 110.475 108.071 2.404 1
1 592 . 16 1 1 A 61 61 GLU H H 61 8.743 8.885 -0.142 1
1 593 . 16 1 1 A 61 61 GLU HA H 61 3.873 3.800 0.073 1
1 598 . 16 1 1 A 61 61 GLU C C 61 178.841 178.212 0.629 1
1 599 . 16 1 1 A 61 61 GLU CA C 61 59.577 59.667 -0.090 1
1 600 . 16 1 1 A 61 61 GLU CB C 61 29.299 29.422 -0.123 1
1 602 . 16 1 1 A 61 61 GLU N N 61 122.609 124.242 -1.633 1
1 603 . 16 1 1 A 62 62 GLU H H 62 9.063 8.447 0.616 1
1 604 . 16 1 1 A 62 62 GLU HA H 62 4.033 4.037 -0.004 1
1 609 . 16 1 1 A 62 62 GLU C C 62 179.086 179.402 -0.316 1
1 610 . 16 1 1 A 62 62 GLU CA C 62 59.841 59.215 0.626 1
1 611 . 16 1 1 A 62 62 GLU CB C 62 28.660 29.219 -0.559 1
1 613 . 16 1 1 A 62 62 GLU N N 62 118.089 118.993 -0.904 1
1 614 . 16 1 1 A 63 63 GLN H H 63 7.563 8.121 -0.558 1
1 615 . 16 1 1 A 63 63 GLN HA H 63 4.282 3.982 0.300 1
1 622 . 16 1 1 A 63 63 GLN C C 63 179.406 178.930 0.476 1
1 623 . 16 1 1 A 63 63 GLN CA C 63 59.050 58.199 0.851 1
1 624 . 16 1 1 A 63 63 GLN CB C 63 29.089 28.555 0.534 1
1 626 . 16 1 1 A 63 63 GLN N N 63 118.216 119.271 -1.055 1
1 628 . 16 1 1 A 64 64 LYS H H 64 8.193 7.921 0.272 1
1 629 . 16 1 1 A 64 64 LYS HA H 64 3.933 4.135 -0.202 1
1 638 . 16 1 1 A 64 64 LYS C C 64 179.858 179.540 0.318 1
1 639 . 16 1 1 A 64 64 LYS CA C 64 60.774 59.432 1.342 1
1 640 . 16 1 1 A 64 64 LYS CB C 64 33.100 32.051 1.049 1
1 644 . 16 1 1 A 64 64 LYS N N 64 119.928 120.600 -0.672 1
1 645 . 16 1 1 A 65 65 GLN H H 65 8.459 8.689 -0.230 1
1 646 . 16 1 1 A 65 65 GLN HA H 65 4.056 4.117 -0.061 1
1 653 . 16 1 1 A 65 65 GLN C C 65 177.751 178.250 -0.499 1
1 654 . 16 1 1 A 65 65 GLN CA C 65 58.891 58.563 0.328 1
1 655 . 16 1 1 A 65 65 GLN CB C 65 28.167 28.335 -0.168 1
1 657 . 16 1 1 A 65 65 GLN N N 65 117.874 118.096 -0.222 1
1 659 . 16 1 1 A 66 66 VAL H H 66 7.408 7.682 -0.274 1
1 660 . 16 1 1 A 66 66 VAL HA H 66 3.653 3.843 -0.190 1
1 668 . 16 1 1 A 66 66 VAL C C 66 178.900 176.883 2.017 1
1 669 . 16 1 1 A 66 66 VAL CA C 66 66.860 64.536 2.324 1
1 670 . 16 1 1 A 66 66 VAL CB C 66 31.784 31.572 0.212 1
1 673 . 16 1 1 A 66 66 VAL N N 66 119.348 119.739 -0.391 1
1 674 . 16 1 1 A 67 67 TYR H H 67 7.229 7.814 -0.585 1
1 675 . 16 1 1 A 67 67 TYR HA H 67 4.151 4.449 -0.298 1
1 682 . 16 1 1 A 67 67 TYR C C 67 178.776 179.041 -0.265 1
1 683 . 16 1 1 A 67 67 TYR CA C 67 63.307 61.341 1.966 1
1 684 . 16 1 1 A 67 67 TYR CB C 67 39.308 39.009 0.299 1
1 689 . 16 1 1 A 67 67 TYR N N 67 117.638 120.376 -2.738 1
1 690 . 16 1 1 A 68 68 LYS H H 68 8.554 8.032 0.522 1
1 691 . 16 1 1 A 68 68 LYS HA H 68 4.195 4.307 -0.112 1
1 698 . 16 1 1 A 68 68 LYS C C 68 179.468 179.095 0.373 1
1 699 . 16 1 1 A 68 68 LYS CA C 68 60.703 59.221 1.482 1
1 700 . 16 1 1 A 68 68 LYS CB C 68 32.154 32.458 -0.304 1
1 704 . 16 1 1 A 68 68 LYS N N 68 121.795 118.665 3.130 1
1 705 . 16 1 1 A 69 69 LYS H H 69 8.883 7.695 1.188 1
1 706 . 16 1 1 A 69 69 LYS HA H 69 4.171 4.041 0.130 1
1 715 . 16 1 1 A 69 69 LYS C C 69 180.214 179.585 0.629 1
1 716 . 16 1 1 A 69 69 LYS CA C 69 59.824 59.689 0.135 1
1 717 . 16 1 1 A 69 69 LYS CB C 69 32.072 32.373 -0.301 1
1 721 . 16 1 1 A 69 69 LYS N N 69 120.539 119.649 0.890 1
1 722 . 16 1 1 A 70 70 LYS H H 70 7.791 7.366 0.425 1
1 723 . 16 1 1 A 70 70 LYS HA H 70 4.211 4.079 0.132 1
1 732 . 16 1 1 A 70 70 LYS C C 70 179.985 179.067 0.918 1
1 733 . 16 1 1 A 70 70 LYS CA C 70 60.017 59.299 0.718 1
1 734 . 16 1 1 A 70 70 LYS CB C 70 33.200 32.271 0.929 1
1 738 . 16 1 1 A 70 70 LYS N N 70 119.946 119.746 0.200 1
1 739 . 16 1 1 A 71 71 THR H H 71 8.002 7.911 0.091 1
1 740 . 16 1 1 A 71 71 THR HA H 71 4.301 3.834 0.467 1
1 745 . 16 1 1 A 71 71 THR C C 71 176.462 176.404 0.058 1
1 746 . 16 1 1 A 71 71 THR CA C 71 66.402 67.163 -0.761 1
1 747 . 16 1 1 A 71 71 THR CB C 71 68.949 68.764 0.185 1
1 749 . 16 1 1 A 71 71 THR N N 71 116.183 117.352 -1.169 1
1 750 . 16 1 1 A 72 72 GLU H H 72 8.295 7.993 0.302 1
1 751 . 16 1 1 A 72 72 GLU HA H 72 4.143 3.986 0.157 1
1 756 . 16 1 1 A 72 72 GLU C C 72 179.498 179.189 0.309 1
1 757 . 16 1 1 A 72 72 GLU CA C 72 59.665 59.433 0.232 1
1 758 . 16 1 1 A 72 72 GLU CB C 72 29.400 29.640 -0.240 1
1 760 . 16 1 1 A 72 72 GLU N N 72 123.438 119.772 3.666 1
1 761 . 16 1 1 A 73 73 ALA H H 73 8.063 7.779 0.284 1
1 762 . 16 1 1 A 73 73 ALA HA H 73 4.262 4.167 0.095 1
1 766 . 16 1 1 A 73 73 ALA C C 73 180.639 178.877 1.762 1
1 767 . 16 1 1 A 73 73 ALA CA C 73 55.268 54.498 0.770 1
1 768 . 16 1 1 A 73 73 ALA CB C 73 17.824 18.074 -0.250 1
1 769 . 16 1 1 A 73 73 ALA N N 73 122.231 122.831 -0.600 1
1 770 . 16 1 1 A 74 74 ALA H H 74 8.093 8.039 0.054 1
1 771 . 16 1 1 A 74 74 ALA HA H 74 4.320 4.432 -0.112 1
1 775 . 16 1 1 A 74 74 ALA C C 74 181.394 180.037 1.357 1
1 776 . 16 1 1 A 74 74 ALA CA C 74 54.904 53.797 1.107 1
1 777 . 16 1 1 A 74 74 ALA CB C 74 18.313 19.078 -0.765 1
1 778 . 16 1 1 A 74 74 ALA N N 74 121.882 119.264 2.618 1
1 779 . 16 1 1 A 75 75 LYS H H 75 8.661 8.068 0.593 1
1 780 . 16 1 1 A 75 75 LYS HA H 75 4.053 4.148 -0.095 1
1 786 . 16 1 1 A 75 75 LYS C C 75 178.096 178.966 -0.870 1
1 787 . 16 1 1 A 75 75 LYS CA C 75 60.510 59.380 1.130 1
1 788 . 16 1 1 A 75 75 LYS CB C 75 32.236 32.430 -0.194 1
1 792 . 16 1 1 A 75 75 LYS N N 75 121.652 118.114 3.538 1
1 793 . 16 1 1 A 76 76 LYS H H 76 7.855 8.027 -0.172 1
1 794 . 16 1 1 A 76 76 LYS HA H 76 4.110 3.975 0.135 1
1 799 . 16 1 1 A 76 76 LYS C C 76 179.822 179.121 0.701 1
1 800 . 16 1 1 A 76 76 LYS CA C 76 59.993 60.066 -0.073 1
1 801 . 16 1 1 A 76 76 LYS CB C 76 32.401 32.061 0.340 1
1 805 . 16 1 1 A 76 76 LYS N N 76 119.219 118.475 0.744 1
1 806 . 16 1 1 A 77 77 GLU H H 77 7.880 8.144 -0.264 1
1 807 . 16 1 1 A 77 77 GLU HA H 77 4.233 4.100 0.133 1
1 812 . 16 1 1 A 77 77 GLU C C 77 178.358 178.218 0.140 1
1 813 . 16 1 1 A 77 77 GLU CA C 77 58.980 59.312 -0.332 1
1 814 . 16 1 1 A 77 77 GLU CB C 77 29.235 29.176 0.059 1
1 816 . 16 1 1 A 77 77 GLU N N 77 119.640 118.077 1.563 1
1 817 . 16 1 1 A 78 78 TYR H H 78 8.391 7.948 0.443 1
1 818 . 16 1 1 A 78 78 TYR HA H 78 4.413 4.119 0.294 1
1 825 . 16 1 1 A 78 78 TYR C C 78 176.737 177.163 -0.426 1
1 826 . 16 1 1 A 78 78 TYR CA C 78 60.809 61.376 -0.567 1
1 827 . 16 1 1 A 78 78 TYR CB C 78 38.239 38.766 -0.527 1
1 832 . 16 1 1 A 78 78 TYR N N 78 121.464 122.148 -0.684 1
1 833 . 16 1 1 A 79 79 LEU H H 79 8.203 8.051 0.152 1
1 834 . 16 1 1 A 79 79 LEU HA H 79 3.764 3.631 0.133 1
1 844 . 16 1 1 A 79 79 LEU C C 79 180.728 178.864 1.864 1
1 845 . 16 1 1 A 79 79 LEU CA C 79 58.170 57.923 0.247 1
1 846 . 16 1 1 A 79 79 LEU CB C 79 41.445 41.256 0.189 1
1 850 . 16 1 1 A 79 79 LEU N N 79 118.433 119.950 -1.517 1
1 851 . 16 1 1 A 80 80 LYS H H 80 7.523 7.808 -0.285 1
1 852 . 16 1 1 A 80 80 LYS HA H 80 4.134 3.823 0.311 1
1 861 . 16 1 1 A 80 80 LYS C C 80 179.804 179.802 0.002 1
1 862 . 16 1 1 A 80 80 LYS CA C 80 59.630 60.408 -0.778 1
1 863 . 16 1 1 A 80 80 LYS CB C 80 32.400 32.372 0.028 1
1 867 . 16 1 1 A 80 80 LYS N N 80 120.723 117.264 3.459 1
1 868 . 16 1 1 A 81 81 GLN H H 81 8.473 8.273 0.200 1
1 869 . 16 1 1 A 81 81 GLN HA H 81 4.144 3.918 0.226 1
1 876 . 16 1 1 A 81 81 GLN C C 81 179.906 178.310 1.596 1
1 877 . 16 1 1 A 81 81 GLN CA C 81 58.628 58.919 -0.291 1
1 878 . 16 1 1 A 81 81 GLN CB C 81 28.273 28.453 -0.180 1
1 880 . 16 1 1 A 81 81 GLN N N 81 120.899 118.980 1.919 1
1 882 . 16 1 1 A 82 82 LEU H H 82 9.233 8.117 1.116 1
1 883 . 16 1 1 A 82 82 LEU HA H 82 3.963 4.146 -0.183 1
1 893 . 16 1 1 A 82 82 LEU C C 82 178.293 178.294 -0.001 1
1 894 . 16 1 1 A 82 82 LEU CA C 82 57.959 57.979 -0.020 1
1 895 . 16 1 1 A 82 82 LEU CB C 82 42.044 41.000 1.044 1
1 899 . 16 1 1 A 82 82 LEU N N 82 123.463 121.864 1.599 1
1 900 . 16 1 1 A 83 83 ALA H H 83 7.732 8.357 -0.625 1
1 901 . 16 1 1 A 83 83 ALA HA H 83 4.223 3.997 0.226 1
1 905 . 16 1 1 A 83 83 ALA C C 83 180.853 179.235 1.618 1
1 906 . 16 1 1 A 83 83 ALA CA C 83 54.944 54.665 0.279 1
1 907 . 16 1 1 A 83 83 ALA CB C 83 17.765 18.317 -0.552 1
1 908 . 16 1 1 A 83 83 ALA N N 83 120.956 119.931 1.025 1
1 909 . 16 1 1 A 84 84 ALA H H 84 7.716 7.779 -0.063 1
1 910 . 16 1 1 A 84 84 ALA HA H 84 4.135 4.208 -0.073 1
1 914 . 16 1 1 A 84 84 ALA C C 84 180.256 179.028 1.228 1
1 915 . 16 1 1 A 84 84 ALA CA C 84 55.234 54.816 0.418 1
1 916 . 16 1 1 A 84 84 ALA CB C 84 17.806 19.097 -1.291 1
1 917 . 16 1 1 A 84 84 ALA N N 84 121.082 119.788 1.294 1
1 918 . 16 1 1 A 85 85 TYR H H 85 8.453 8.385 0.068 1
1 919 . 16 1 1 A 85 85 TYR HA H 85 4.310 3.984 0.326 1
1 926 . 16 1 1 A 85 85 TYR C C 85 178.538 177.537 1.001 1
1 927 . 16 1 1 A 85 85 TYR CA C 85 60.862 62.126 -1.264 1
1 928 . 16 1 1 A 85 85 TYR CB C 85 38.444 38.906 -0.462 1
1 933 . 16 1 1 A 85 85 TYR N N 85 121.359 119.911 1.448 1
1 934 . 16 1 1 A 86 86 ARG H H 86 8.734 7.760 0.974 1
1 935 . 16 1 1 A 86 86 ARG HA H 86 3.713 3.620 0.093 1
1 942 . 16 1 1 A 86 86 ARG C C 86 178.962 178.671 0.291 1
1 943 . 16 1 1 A 86 86 ARG CA C 86 59.454 59.266 0.188 1
1 944 . 16 1 1 A 86 86 ARG CB C 86 29.605 29.983 -0.378 1
1 947 . 16 1 1 A 86 86 ARG N N 86 119.740 118.659 1.081 1
1 948 . 16 1 1 A 87 87 ALA H H 87 7.853 8.076 -0.223 1
1 949 . 16 1 1 A 87 87 ALA HA H 87 4.195 4.022 0.173 1
1 953 . 16 1 1 A 87 87 ALA C C 87 179.605 179.738 -0.133 1
1 954 . 16 1 1 A 87 87 ALA CA C 87 54.353 54.983 -0.630 1
1 955 . 16 1 1 A 87 87 ALA CB C 87 17.971 18.387 -0.416 1
1 956 . 16 1 1 A 87 87 ALA N N 87 120.667 122.271 -1.604 1
1 957 . 16 1 1 A 88 88 SER H H 88 7.763 7.345 0.418 1
1 958 . 16 1 1 A 88 88 SER HA H 88 4.347 4.329 0.018 1
1 961 . 16 1 1 A 88 88 SER C C 88 175.219 176.751 -1.532 1
1 962 . 16 1 1 A 88 88 SER CA C 88 60.158 61.801 -1.643 1
1 963 . 16 1 1 A 88 88 SER CB C 88 63.440 63.410 0.030 1
1 964 . 16 1 1 A 88 88 SER N N 88 114.332 114.426 -0.094 1
1 965 . 16 1 1 A 89 89 LEU H H 89 7.344 8.125 -0.781 1
1 966 . 16 1 1 A 89 89 LEU HA H 89 4.163 4.010 0.153 1
1 976 . 16 1 1 A 89 89 LEU C C 89 178.335 178.335 0.000 1
1 977 . 16 1 1 A 89 89 LEU CA C 89 56.059 57.627 -1.568 1
1 978 . 16 1 1 A 89 89 LEU CB C 89 42.062 41.584 0.478 1
1 982 . 16 1 1 A 89 89 LEU N N 89 121.862 121.615 0.247 1
1 983 . 16 1 1 A 90 90 VAL H H 90 7.533 7.481 0.052 1
1 984 . 16 1 1 A 90 90 VAL HA H 90 4.063 4.169 -0.106 1
1 992 . 16 1 1 A 90 90 VAL C C 90 176.743 175.890 0.853 1
1 993 . 16 1 1 A 90 90 VAL CA C 90 63.183 63.104 0.079 1
1 994 . 16 1 1 A 90 90 VAL CB C 90 32.318 31.836 0.482 1
1 997 . 16 1 1 A 90 90 VAL N N 90 117.748 114.085 3.663 1
1 998 . 16 1 1 A 91 91 SER H H 91 8.059 7.333 0.726 1
1 999 . 16 1 1 A 91 91 SER HA H 91 4.415 4.508 -0.093 1
1 1002 . 16 1 1 A 91 91 SER C C 91 174.854 174.132 0.722 1
1 1003 . 16 1 1 A 91 91 SER CA C 91 58.861 57.540 1.321 1
1 1004 . 16 1 1 A 91 91 SER CB C 91 63.810 64.198 -0.388 1
1 1005 . 16 1 1 A 91 91 SER N N 91 117.663 118.648 -0.985 1
1 1006 . 16 1 1 A 92 92 LYS H H 92 8.158 8.640 -0.482 1
1 1007 . 16 1 1 A 92 92 LYS HA H 92 4.329 4.749 -0.420 1
1 1010 . 16 1 1 A 92 92 LYS C C 92 176.528 174.952 1.576 1
1 1011 . 16 1 1 A 92 92 LYS CA C 92 56.551 54.878 1.673 1
1 1012 . 16 1 1 A 92 92 LYS CB C 92 32.771 32.283 0.488 1
1 1016 . 16 1 1 A 92 92 LYS N N 92 122.827 128.087 -5.260 1
1 1017 . 16 1 1 A 93 93 SER H H 93 8.186 8.115 0.071 1
1 1018 . 16 1 1 A 93 93 SER HA H 93 4.444 4.821 -0.377 1
1 1021 . 16 1 1 A 93 93 SER C C 93 174.271 174.114 0.157 1
1 1022 . 16 1 1 A 93 93 SER CA C 93 58.504 56.586 1.918 1
1 1023 . 16 1 1 A 93 93 SER CB C 93 63.933 66.131 -2.198 1
1 1024 . 16 1 1 A 93 93 SER N N 93 116.068 115.786 0.282 1
1 1025 . 16 1 1 A 94 94 TYR H H 94 8.146 9.395 -1.249 1
1 1026 . 16 1 1 A 94 94 TYR HA H 94 4.658 4.105 0.553 1
1 1033 . 16 1 1 A 94 94 TYR C C 94 176.011 175.490 0.521 1
1 1034 . 16 1 1 A 94 94 TYR CA C 94 58.135 62.239 -4.104 1
1 1035 . 16 1 1 A 94 94 TYR CB C 94 38.855 39.300 -0.445 1
1 1040 . 16 1 1 A 94 94 TYR N N 94 122.150 121.808 0.342 1
1 1041 . 16 1 1 A 95 95 THR H H 95 8.024 8.160 -0.136 1
1 1042 . 16 1 1 A 95 95 THR HA H 95 4.333 4.080 0.253 1
1 1047 . 16 1 1 A 95 95 THR C C 95 174.054 172.749 1.305 1
1 1048 . 16 1 1 A 95 95 THR CA C 95 61.740 62.222 -0.482 1
1 1049 . 16 1 1 A 95 95 THR CB C 95 69.977 67.748 2.229 1
1 1051 . 16 1 1 A 95 95 THR N N 95 115.298 111.985 3.313 1
1 1052 . 16 1 1 A 96 96 ASP H H 96 8.288 8.140 0.148 1
1 1053 . 16 1 1 A 96 96 ASP HA H 96 4.663 5.283 -0.620 1
1 1056 . 16 1 1 A 96 96 ASP C C 96 176.252 174.149 2.103 1
1 1057 . 16 1 1 A 96 96 ASP CA C 96 54.494 53.011 1.483 1
1 1058 . 16 1 1 A 96 96 ASP CB C 96 41.404 44.401 -2.997 1
1 1059 . 16 1 1 A 96 96 ASP N N 96 122.969 124.857 -1.888 1
1 1060 . 16 1 1 A 97 97 SER H H 97 8.272 8.893 -0.621 1
1 1061 . 16 1 1 A 97 97 SER HA H 97 4.500 4.993 -0.493 1
1 1063 . 16 1 1 A 97 97 SER C C 97 174.845 174.747 0.098 1
1 1064 . 16 1 1 A 97 97 SER CA C 97 58.522 57.275 1.247 1
1 1065 . 16 1 1 A 97 97 SER CB C 97 63.656 64.963 -1.307 1
1 1066 . 16 1 1 A 97 97 SER N N 97 116.137 122.792 -6.655 1
1 1067 . 16 1 1 A 98 98 GLY H H 98 8.289 8.711 -0.422 1
1 1068 . 16 1 1 A 98 98 GLY HA2 H 98 4.123 3.961 0.162 1
1 1069 . 16 1 1 A 98 98 GLY HA3 H 98 4.123 3.964 0.159 1
1 1070 . 16 1 1 A 98 98 GLY C C 98 171.920 174.995 -3.075 1
1 1071 . 16 1 1 A 98 98 GLY CA C 98 44.748 46.298 -1.550 1
1 1072 . 16 1 1 A 98 98 GLY N N 98 110.751 112.336 -1.585 1
1 1073 . 16 1 1 A 99 99 PRO HA H 99 4.490 4.299 0.191 1
1 1080 . 16 1 1 A 99 99 PRO CA C 99 63.373 64.761 -1.388 1
1 1081 . 16 1 1 A 99 99 PRO CB C 99 32.247 31.820 0.427 1
1 1 . 17 1 1 A 12 12 LYS HA H 12 4.317 4.706 -0.389 1
1 6 . 17 1 1 A 12 12 LYS C C 12 176.329 176.215 0.114 1
1 7 . 17 1 1 A 12 12 LYS CA C 12 56.223 55.797 0.426 1
1 8 . 17 1 1 A 12 12 LYS CB C 12 33.117 33.827 -0.710 1
1 12 . 17 1 1 A 13 13 LYS H H 13 8.394 8.568 -0.174 1
1 13 . 17 1 1 A 13 13 LYS HA H 13 4.273 4.400 -0.127 1
1 18 . 17 1 1 A 13 13 LYS C C 13 175.990 175.657 0.333 1
1 19 . 17 1 1 A 13 13 LYS CA C 13 56.222 55.689 0.533 1
1 20 . 17 1 1 A 13 13 LYS CB C 13 33.223 33.212 0.011 1
1 24 . 17 1 1 A 13 13 LYS N N 13 123.900 124.838 -0.938 1
1 25 . 17 1 1 A 14 14 ASP H H 14 8.625 8.907 -0.282 1
1 26 . 17 1 1 A 14 14 ASP HA H 14 4.902 4.245 0.657 1
1 29 . 17 1 1 A 14 14 ASP CA C 14 51.958 54.838 -2.880 1
1 30 . 17 1 1 A 14 14 ASP CB C 14 41.422 39.351 2.071 1
1 31 . 17 1 1 A 14 14 ASP N N 14 124.861 119.240 5.621 1
1 32 . 17 1 1 A 15 15 PRO HA H 15 4.442 4.500 -0.058 1
1 39 . 17 1 1 A 15 15 PRO C C 15 176.634 176.648 -0.014 1
1 40 . 17 1 1 A 15 15 PRO CA C 15 63.606 64.252 -0.646 1
1 41 . 17 1 1 A 15 15 PRO CB C 15 32.323 32.212 0.111 1
1 44 . 17 1 1 A 16 16 ASN H H 16 8.414 7.724 0.690 1
1 45 . 17 1 1 A 16 16 ASN HA H 16 4.683 5.016 -0.333 1
1 50 . 17 1 1 A 16 16 ASN C C 16 174.365 174.229 0.136 1
1 51 . 17 1 1 A 16 16 ASN CA C 16 52.946 52.727 0.219 1
1 52 . 17 1 1 A 16 16 ASN CB C 16 39.266 42.163 -2.897 1
1 53 . 17 1 1 A 16 16 ASN N N 16 116.873 115.269 1.604 1
1 55 . 17 1 1 A 17 17 GLU H H 17 7.712 8.808 -1.096 1
1 56 . 17 1 1 A 17 17 GLU HA H 17 3.233 3.839 -0.606 1
1 61 . 17 1 1 A 17 17 GLU C C 17 174.415 174.969 -0.554 1
1 62 . 17 1 1 A 17 17 GLU CA C 17 54.423 57.010 -2.587 1
1 63 . 17 1 1 A 17 17 GLU CB C 17 29.911 28.852 1.059 1
1 65 . 17 1 1 A 17 17 GLU N N 17 122.673 121.249 1.424 1
1 66 . 17 1 1 A 18 18 PRO HA H 18 4.384 4.435 -0.051 1
1 73 . 17 1 1 A 18 18 PRO CA C 18 62.896 62.691 0.205 1
1 74 . 17 1 1 A 18 18 PRO CB C 18 31.963 32.043 -0.080 1
1 77 . 17 1 1 A 19 19 GLN H H 19 8.654 8.382 0.272 1
1 78 . 17 1 1 A 19 19 GLN HA H 19 4.293 4.538 -0.245 1
1 85 . 17 1 1 A 19 19 GLN C C 19 175.384 175.031 0.353 1
1 86 . 17 1 1 A 19 19 GLN CA C 19 55.057 55.191 -0.134 1
1 87 . 17 1 1 A 19 19 GLN CB C 19 29.793 29.104 0.689 1
1 89 . 17 1 1 A 19 19 GLN N N 19 122.106 119.383 2.723 1
1 91 . 17 1 1 A 20 20 LYS H H 20 8.383 8.109 0.274 1
1 92 . 17 1 1 A 20 20 LYS HA H 20 3.393 2.905 0.488 1
1 101 . 17 1 1 A 20 20 LYS C C 20 174.706 174.954 -0.248 1
1 102 . 17 1 1 A 20 20 LYS CA C 20 54.951 53.785 1.166 1
1 103 . 17 1 1 A 20 20 LYS CB C 20 31.802 32.634 -0.832 1
1 107 . 17 1 1 A 20 20 LYS N N 20 124.861 126.073 -1.212 1
1 108 . 17 1 1 A 21 21 PRO HA H 21 4.500 4.416 0.084 1
1 115 . 17 1 1 A 21 21 PRO C C 21 176.741 176.642 0.099 1
1 116 . 17 1 1 A 21 21 PRO CA C 21 62.396 62.604 -0.208 1
1 117 . 17 1 1 A 21 21 PRO CB C 21 32.392 32.184 0.208 1
1 120 . 17 1 1 A 22 22 VAL H H 22 7.850 8.100 -0.250 1
1 121 . 17 1 1 A 22 22 VAL HA H 22 4.303 4.279 0.024 1
1 129 . 17 1 1 A 22 22 VAL C C 22 175.615 175.687 -0.072 1
1 130 . 17 1 1 A 22 22 VAL CA C 22 60.967 60.480 0.487 1
1 131 . 17 1 1 A 22 22 VAL CB C 22 32.342 33.028 -0.686 1
1 134 . 17 1 1 A 22 22 VAL N N 22 115.924 117.857 -1.933 1
1 135 . 17 1 1 A 23 23 SER H H 23 8.125 8.344 -0.219 1
1 136 . 17 1 1 A 23 23 SER HA H 23 4.433 4.497 -0.064 1
1 139 . 17 1 1 A 23 23 SER C C 23 173.516 175.434 -1.918 1
1 140 . 17 1 1 A 23 23 SER CA C 23 57.590 58.372 -0.782 1
1 141 . 17 1 1 A 23 23 SER CB C 23 65.578 64.369 1.209 1
1 142 . 17 1 1 A 23 23 SER N N 23 116.922 117.556 -0.634 1
1 143 . 17 1 1 A 24 24 ALA H H 24 8.707 8.878 -0.171 1
1 144 . 17 1 1 A 24 24 ALA HA H 24 4.046 4.392 -0.346 1
1 148 . 17 1 1 A 24 24 ALA C C 24 178.727 178.935 -0.208 1
1 149 . 17 1 1 A 24 24 ALA CA C 24 55.971 55.089 0.882 1
1 150 . 17 1 1 A 24 24 ALA CB C 24 18.505 18.437 0.068 1
1 151 . 17 1 1 A 24 24 ALA N N 24 123.025 126.272 -3.247 1
1 152 . 17 1 1 A 25 25 TYR H H 25 8.119 8.050 0.069 1
1 153 . 17 1 1 A 25 25 TYR HA H 25 2.678 1.977 0.701 1
1 160 . 17 1 1 A 25 25 TYR C C 25 176.253 177.488 -1.235 1
1 161 . 17 1 1 A 25 25 TYR CA C 25 60.281 60.654 -0.373 1
1 162 . 17 1 1 A 25 25 TYR CB C 25 37.951 37.726 0.225 1
1 167 . 17 1 1 A 25 25 TYR N N 25 115.954 119.024 -3.070 1
1 168 . 17 1 1 A 26 26 ALA H H 26 7.742 7.824 -0.082 1
1 169 . 17 1 1 A 26 26 ALA HA H 26 3.758 3.569 0.189 1
1 173 . 17 1 1 A 26 26 ALA C C 26 181.489 179.318 2.171 1
1 174 . 17 1 1 A 26 26 ALA CA C 26 54.859 54.592 0.267 1
1 175 . 17 1 1 A 26 26 ALA CB C 26 18.029 18.010 0.019 1
1 176 . 17 1 1 A 26 26 ALA N N 26 121.384 121.230 0.154 1
1 177 . 17 1 1 A 27 27 LEU H H 27 7.991 7.881 0.110 1
1 178 . 17 1 1 A 27 27 LEU HA H 27 4.023 4.004 0.019 1
1 188 . 17 1 1 A 27 27 LEU C C 27 178.625 177.634 0.991 1
1 189 . 17 1 1 A 27 27 LEU CA C 27 57.876 57.698 0.178 1
1 190 . 17 1 1 A 27 27 LEU CB C 27 42.103 41.684 0.419 1
1 194 . 17 1 1 A 27 27 LEU N N 27 120.626 119.102 1.524 1
1 195 . 17 1 1 A 28 28 PHE H H 28 7.706 7.739 -0.033 1
1 196 . 17 1 1 A 28 28 PHE HA H 28 3.653 4.093 -0.440 1
1 204 . 17 1 1 A 28 28 PHE C C 28 178.640 177.589 1.051 1
1 205 . 17 1 1 A 28 28 PHE CA C 28 61.653 59.379 2.274 1
1 206 . 17 1 1 A 28 28 PHE CB C 28 39.060 39.499 -0.439 1
1 212 . 17 1 1 A 28 28 PHE N N 28 122.656 119.756 2.900 1
1 213 . 17 1 1 A 29 29 PHE H H 29 9.246 8.088 1.158 1
1 214 . 17 1 1 A 29 29 PHE HA H 29 3.483 3.830 -0.347 1
1 222 . 17 1 1 A 29 29 PHE C C 29 177.478 177.548 -0.070 1
1 223 . 17 1 1 A 29 29 PHE CA C 29 61.126 60.513 0.613 1
1 224 . 17 1 1 A 29 29 PHE CB C 29 38.837 38.782 0.055 1
1 230 . 17 1 1 A 29 29 PHE N N 29 123.986 119.447 4.539 1
1 231 . 17 1 1 A 30 30 ARG H H 30 8.044 8.251 -0.207 1
1 232 . 17 1 1 A 30 30 ARG HA H 30 4.046 4.206 -0.160 1
1 239 . 17 1 1 A 30 30 ARG C C 30 179.156 176.964 2.192 1
1 240 . 17 1 1 A 30 30 ARG CA C 30 59.542 58.092 1.450 1
1 241 . 17 1 1 A 30 30 ARG CB C 30 30.053 29.303 0.750 1
1 244 . 17 1 1 A 30 30 ARG N N 30 119.141 117.974 1.167 1
1 245 . 17 1 1 A 31 31 ASP H H 31 7.712 8.036 -0.324 1
1 246 . 17 1 1 A 31 31 ASP HA H 31 4.523 4.639 -0.116 1
1 249 . 17 1 1 A 31 31 ASP C C 31 177.850 177.763 0.087 1
1 250 . 17 1 1 A 31 31 ASP CA C 31 56.516 55.996 0.520 1
1 251 . 17 1 1 A 31 31 ASP CB C 31 40.664 41.347 -0.683 1
1 252 . 17 1 1 A 31 31 ASP N N 31 118.527 118.864 -0.337 1
1 253 . 17 1 1 A 32 32 THR H H 32 7.704 7.061 0.643 1
1 254 . 17 1 1 A 32 32 THR HA H 32 3.953 3.931 0.022 1
1 259 . 17 1 1 A 32 32 THR C C 32 175.637 175.776 -0.139 1
1 260 . 17 1 1 A 32 32 THR CA C 32 65.030 65.408 -0.378 1
1 261 . 17 1 1 A 32 32 THR CB C 32 69.195 68.693 0.502 1
1 263 . 17 1 1 A 32 32 THR N N 32 115.935 115.291 0.644 1
1 264 . 17 1 1 A 33 33 GLN H H 33 8.361 7.837 0.524 1
1 265 . 17 1 1 A 33 33 GLN HA H 33 3.373 3.617 -0.244 1
1 272 . 17 1 1 A 33 33 GLN C C 33 176.526 177.748 -1.222 1
1 273 . 17 1 1 A 33 33 GLN CA C 33 60.000 58.901 1.099 1
1 274 . 17 1 1 A 33 33 GLN CB C 33 26.827 28.278 -1.451 1
1 276 . 17 1 1 A 33 33 GLN N N 33 120.539 119.447 1.092 1
1 278 . 17 1 1 A 34 34 ALA H H 34 8.053 8.084 -0.031 1
1 279 . 17 1 1 A 34 34 ALA HA H 34 3.964 3.986 -0.022 1
1 283 . 17 1 1 A 34 34 ALA C C 34 180.762 179.681 1.081 1
1 284 . 17 1 1 A 34 34 ALA CA C 34 55.338 55.202 0.136 1
1 285 . 17 1 1 A 34 34 ALA CB C 34 17.724 18.749 -1.025 1
1 286 . 17 1 1 A 34 34 ALA N N 34 120.505 120.644 -0.139 1
1 287 . 17 1 1 A 35 35 ALA H H 35 7.763 8.139 -0.376 1
1 288 . 17 1 1 A 35 35 ALA HA H 35 4.135 4.037 0.098 1
1 292 . 17 1 1 A 35 35 ALA C C 35 180.801 179.881 0.920 1
1 293 . 17 1 1 A 35 35 ALA CA C 35 54.635 54.971 -0.336 1
1 294 . 17 1 1 A 35 35 ALA CB C 35 17.888 18.528 -0.640 1
1 295 . 17 1 1 A 35 35 ALA N N 35 122.109 120.426 1.683 1
1 296 . 17 1 1 A 36 36 ILE H H 36 7.673 7.888 -0.215 1
1 297 . 17 1 1 A 36 36 ILE HA H 36 3.753 3.598 0.155 1
1 307 . 17 1 1 A 36 36 ILE C C 36 179.213 177.671 1.542 1
1 308 . 17 1 1 A 36 36 ILE CA C 36 62.955 65.099 -2.144 1
1 309 . 17 1 1 A 36 36 ILE CB C 36 36.388 37.605 -1.217 1
1 313 . 17 1 1 A 36 36 ILE N N 36 118.252 118.827 -0.575 1
1 314 . 17 1 1 A 37 37 LYS H H 37 8.444 8.528 -0.084 1
1 315 . 17 1 1 A 37 37 LYS HA H 37 3.982 3.918 0.064 1
1 324 . 17 1 1 A 37 37 LYS C C 37 178.872 179.331 -0.459 1
1 325 . 17 1 1 A 37 37 LYS CA C 37 58.715 59.925 -1.210 1
1 326 . 17 1 1 A 37 37 LYS CB C 37 31.802 32.001 -0.199 1
1 330 . 17 1 1 A 37 37 LYS N N 37 121.415 119.387 2.028 1
1 331 . 17 1 1 A 38 38 GLY H H 38 7.873 8.307 -0.434 1
1 332 . 17 1 1 A 38 38 GLY HA2 H 38 3.849 3.748 0.101 1
1 333 . 17 1 1 A 38 38 GLY HA3 H 38 3.849 3.752 0.097 1
1 334 . 17 1 1 A 38 38 GLY C C 38 175.341 176.352 -1.011 1
1 335 . 17 1 1 A 38 38 GLY CA C 38 46.490 47.368 -0.878 1
1 336 . 17 1 1 A 38 38 GLY N N 38 104.723 107.595 -2.872 1
1 337 . 17 1 1 A 39 39 GLN H H 39 7.288 7.535 -0.247 1
1 338 . 17 1 1 A 39 39 GLN HA H 39 4.313 4.183 0.130 1
1 345 . 17 1 1 A 39 39 GLN C C 39 175.814 176.034 -0.220 1
1 346 . 17 1 1 A 39 39 GLN CA C 39 56.482 57.655 -1.173 1
1 347 . 17 1 1 A 39 39 GLN CB C 39 30.074 29.247 0.827 1
1 349 . 17 1 1 A 39 39 GLN N N 39 117.295 120.050 -2.755 1
1 351 . 17 1 1 A 40 40 ASN H H 40 7.780 8.128 -0.348 1
1 352 . 17 1 1 A 40 40 ASN HA H 40 5.159 5.182 -0.023 1
1 357 . 17 1 1 A 40 40 ASN C C 40 172.428 173.406 -0.978 1
1 358 . 17 1 1 A 40 40 ASN CA C 40 50.877 50.298 0.579 1
1 359 . 17 1 1 A 40 40 ASN CB C 40 39.595 38.810 0.785 1
1 360 . 17 1 1 A 40 40 ASN N N 40 115.989 117.221 -1.232 1
1 362 . 17 1 1 A 41 41 PRO HA H 41 4.523 4.318 0.205 1
1 369 . 17 1 1 A 41 41 PRO C C 41 177.550 177.482 0.068 1
1 370 . 17 1 1 A 41 41 PRO CA C 41 64.837 64.256 0.581 1
1 371 . 17 1 1 A 41 41 PRO CB C 41 32.073 31.856 0.217 1
1 374 . 17 1 1 A 42 42 ASN H H 42 8.363 8.789 -0.426 1
1 375 . 17 1 1 A 42 42 ASN HA H 42 4.853 4.449 0.404 1
1 380 . 17 1 1 A 42 42 ASN C C 42 175.387 176.574 -1.187 1
1 381 . 17 1 1 A 42 42 ASN CA C 42 52.753 55.485 -2.732 1
1 382 . 17 1 1 A 42 42 ASN CB C 42 38.879 38.356 0.523 1
1 383 . 17 1 1 A 42 42 ASN N N 42 114.677 116.428 -1.751 1
1 385 . 17 1 1 A 43 43 ALA H H 43 7.533 7.215 0.318 1
1 386 . 17 1 1 A 43 43 ALA HA H 43 4.443 4.272 0.171 1
1 390 . 17 1 1 A 43 43 ALA C C 43 178.490 177.203 1.287 1
1 391 . 17 1 1 A 43 43 ALA CA C 43 52.647 51.790 0.857 1
1 392 . 17 1 1 A 43 43 ALA CB C 43 19.314 18.955 0.359 1
1 393 . 17 1 1 A 43 43 ALA N N 43 124.307 121.066 3.241 1
1 394 . 17 1 1 A 44 44 THR H H 44 8.698 8.512 0.186 1
1 395 . 17 1 1 A 44 44 THR HA H 44 4.482 4.448 0.034 1
1 400 . 17 1 1 A 44 44 THR C C 44 175.408 175.939 -0.531 1
1 401 . 17 1 1 A 44 44 THR CA C 44 60.791 61.648 -0.857 1
1 402 . 17 1 1 A 44 44 THR CB C 44 71.516 70.726 0.790 1
1 404 . 17 1 1 A 44 44 THR N N 44 114.309 117.198 -2.889 1
1 405 . 17 1 1 A 45 45 PHE HA H 45 4.303 4.118 0.185 1
1 410 . 17 1 1 A 45 45 PHE CA C 45 61.982 61.000 0.982 1
1 411 . 17 1 1 A 45 45 PHE CB C 45 38.942 38.829 0.113 1
1 414 . 17 1 1 A 46 46 GLY HA2 H 46 3.962 3.788 0.174 1
1 415 . 17 1 1 A 46 46 GLY HA3 H 46 3.745 3.815 -0.070 1
1 416 . 17 1 1 A 46 46 GLY C C 46 176.621 176.437 0.184 1
1 417 . 17 1 1 A 46 46 GLY CA C 46 46.930 47.214 -0.284 1
1 418 . 17 1 1 A 47 47 GLU H H 47 7.692 8.298 -0.606 1
1 419 . 17 1 1 A 47 47 GLU HA H 47 4.053 4.111 -0.058 1
1 424 . 17 1 1 A 47 47 GLU C C 47 179.472 179.179 0.293 1
1 425 . 17 1 1 A 47 47 GLU CA C 47 59.296 59.311 -0.015 1
1 426 . 17 1 1 A 47 47 GLU CB C 47 29.769 29.463 0.306 1
1 428 . 17 1 1 A 47 47 GLU N N 47 123.040 121.806 1.234 1
1 429 . 17 1 1 A 48 48 VAL H H 48 8.504 8.056 0.448 1
1 430 . 17 1 1 A 48 48 VAL HA H 48 3.413 3.566 -0.153 1
1 438 . 17 1 1 A 48 48 VAL C C 48 177.640 178.318 -0.678 1
1 439 . 17 1 1 A 48 48 VAL CA C 48 67.159 66.511 0.648 1
1 440 . 17 1 1 A 48 48 VAL CB C 48 31.820 31.639 0.181 1
1 443 . 17 1 1 A 48 48 VAL N N 48 120.194 120.724 -0.530 1
1 444 . 17 1 1 A 49 49 SER H H 49 8.442 7.950 0.492 1
1 445 . 17 1 1 A 49 49 SER HA H 49 4.093 4.293 -0.200 1
1 448 . 17 1 1 A 49 49 SER C C 49 176.016 176.289 -0.273 1
1 449 . 17 1 1 A 49 49 SER CA C 49 62.500 62.335 0.165 1
1 450 . 17 1 1 A 49 49 SER CB C 49 62.653 63.207 -0.554 1
1 451 . 17 1 1 A 49 49 SER N N 49 113.484 115.902 -2.418 1
1 452 . 17 1 1 A 50 50 LYS H H 50 7.474 7.745 -0.271 1
1 453 . 17 1 1 A 50 50 LYS HA H 50 4.132 4.051 0.081 1
1 462 . 17 1 1 A 50 50 LYS C C 50 179.463 178.888 0.575 1
1 463 . 17 1 1 A 50 50 LYS CA C 50 59.525 59.475 0.050 1
1 464 . 17 1 1 A 50 50 LYS CB C 50 32.606 32.309 0.297 1
1 468 . 17 1 1 A 50 50 LYS N N 50 120.865 121.156 -0.291 1
1 469 . 17 1 1 A 51 51 ILE H H 51 7.853 7.651 0.202 1
1 470 . 17 1 1 A 51 51 ILE HA H 51 3.793 3.760 0.033 1
1 480 . 17 1 1 A 51 51 ILE C C 51 179.105 178.103 1.002 1
1 481 . 17 1 1 A 51 51 ILE CA C 51 65.488 64.963 0.525 1
1 482 . 17 1 1 A 51 51 ILE CB C 51 38.603 38.006 0.597 1
1 486 . 17 1 1 A 51 51 ILE N N 51 121.720 120.262 1.458 1
1 487 . 17 1 1 A 52 52 VAL H H 52 8.703 8.223 0.480 1
1 488 . 17 1 1 A 52 52 VAL HA H 52 3.659 3.623 0.036 1
1 496 . 17 1 1 A 52 52 VAL C C 52 178.262 178.212 0.050 1
1 497 . 17 1 1 A 52 52 VAL CA C 52 67.388 66.912 0.476 1
1 498 . 17 1 1 A 52 52 VAL CB C 52 31.185 31.488 -0.303 1
1 501 . 17 1 1 A 52 52 VAL N N 52 121.006 120.192 0.814 1
1 502 . 17 1 1 A 53 53 ALA H H 53 8.343 8.668 -0.325 1
1 503 . 17 1 1 A 53 53 ALA HA H 53 4.412 4.242 0.170 1
1 507 . 17 1 1 A 53 53 ALA C C 53 180.884 179.893 0.991 1
1 508 . 17 1 1 A 53 53 ALA CA C 53 56.271 55.603 0.668 1
1 509 . 17 1 1 A 53 53 ALA CB C 53 17.888 18.542 -0.654 1
1 510 . 17 1 1 A 53 53 ALA N N 53 122.645 121.928 0.717 1
1 511 . 17 1 1 A 54 54 SER H H 54 7.905 8.360 -0.455 1
1 512 . 17 1 1 A 54 54 SER HA H 54 4.415 4.284 0.131 1
1 515 . 17 1 1 A 54 54 SER C C 54 177.818 177.576 0.242 1
1 516 . 17 1 1 A 54 54 SER CA C 54 61.635 61.715 -0.080 1
1 517 . 17 1 1 A 54 54 SER CB C 54 62.947 62.569 0.378 1
1 518 . 17 1 1 A 54 54 SER N N 54 114.062 113.080 0.982 1
1 519 . 17 1 1 A 55 55 MET H H 55 8.553 8.841 -0.288 1
1 520 . 17 1 1 A 55 55 MET HA H 55 4.194 4.190 0.004 1
1 528 . 17 1 1 A 55 55 MET C C 55 179.156 178.430 0.726 1
1 529 . 17 1 1 A 55 55 MET CA C 55 59.190 58.682 0.508 1
1 530 . 17 1 1 A 55 55 MET CB C 55 33.551 33.776 -0.225 1
1 533 . 17 1 1 A 55 55 MET N N 55 123.394 119.431 3.963 1
1 534 . 17 1 1 A 56 56 TRP H H 56 8.864 8.891 -0.027 1
1 535 . 17 1 1 A 56 56 TRP HA H 56 3.899 3.857 0.042 1
1 544 . 17 1 1 A 56 56 TRP C C 56 178.213 178.532 -0.319 1
1 545 . 17 1 1 A 56 56 TRP CA C 56 59.806 61.439 -1.633 1
1 546 . 17 1 1 A 56 56 TRP CB C 56 30.281 29.595 0.686 1
1 552 . 17 1 1 A 56 56 TRP N N 56 121.428 122.853 -1.425 1
1 554 . 17 1 1 A 57 57 ASP H H 57 8.061 8.143 -0.082 1
1 555 . 17 1 1 A 57 57 ASP HA H 57 4.253 4.387 -0.134 1
1 558 . 17 1 1 A 57 57 ASP C C 57 178.103 177.703 0.400 1
1 559 . 17 1 1 A 57 57 ASP CA C 57 57.186 57.245 -0.059 1
1 560 . 17 1 1 A 57 57 ASP CB C 57 40.705 40.463 0.242 1
1 561 . 17 1 1 A 57 57 ASP N N 57 117.661 119.023 -1.362 1
1 562 . 17 1 1 A 58 58 GLY H H 58 7.481 8.088 -0.607 1
1 563 . 17 1 1 A 58 58 GLY HA2 H 58 4.202 3.942 0.260 1
1 564 . 17 1 1 A 58 58 GLY HA3 H 58 3.672 3.976 -0.304 1
1 565 . 17 1 1 A 58 58 GLY C C 58 174.062 173.633 0.429 1
1 566 . 17 1 1 A 58 58 GLY CA C 58 44.872 45.178 -0.306 1
1 567 . 17 1 1 A 58 58 GLY N N 58 103.794 106.250 -2.456 1
1 568 . 17 1 1 A 59 59 LEU H H 59 7.153 7.176 -0.023 1
1 569 . 17 1 1 A 59 59 LEU HA H 59 4.123 4.245 -0.122 1
1 579 . 17 1 1 A 59 59 LEU C C 59 177.880 177.390 0.490 1
1 580 . 17 1 1 A 59 59 LEU CA C 59 55.114 54.312 0.802 1
1 581 . 17 1 1 A 59 59 LEU CB C 59 43.149 41.918 1.231 1
1 585 . 17 1 1 A 59 59 LEU N N 59 123.874 120.203 3.671 1
1 586 . 17 1 1 A 60 60 GLY H H 60 8.523 8.360 0.163 1
1 587 . 17 1 1 A 60 60 GLY HA2 H 60 4.091 3.971 0.120 1
1 588 . 17 1 1 A 60 60 GLY HA3 H 60 3.993 3.980 0.013 1
1 589 . 17 1 1 A 60 60 GLY C C 60 174.634 175.973 -1.339 1
1 590 . 17 1 1 A 60 60 GLY CA C 60 44.995 45.383 -0.388 1
1 591 . 17 1 1 A 60 60 GLY N N 60 110.475 108.669 1.806 1
1 592 . 17 1 1 A 61 61 GLU H H 61 8.743 8.883 -0.140 1
1 593 . 17 1 1 A 61 61 GLU HA H 61 3.873 3.821 0.052 1
1 598 . 17 1 1 A 61 61 GLU C C 61 178.841 178.237 0.604 1
1 599 . 17 1 1 A 61 61 GLU CA C 61 59.577 59.635 -0.058 1
1 600 . 17 1 1 A 61 61 GLU CB C 61 29.299 29.434 -0.135 1
1 602 . 17 1 1 A 61 61 GLU N N 61 122.609 124.204 -1.595 1
1 603 . 17 1 1 A 62 62 GLU H H 62 9.063 7.774 1.289 1
1 604 . 17 1 1 A 62 62 GLU HA H 62 4.033 4.064 -0.031 1
1 609 . 17 1 1 A 62 62 GLU C C 62 179.086 179.148 -0.062 1
1 610 . 17 1 1 A 62 62 GLU CA C 62 59.841 59.061 0.780 1
1 611 . 17 1 1 A 62 62 GLU CB C 62 28.660 29.448 -0.788 1
1 613 . 17 1 1 A 62 62 GLU N N 62 118.089 119.381 -1.292 1
1 614 . 17 1 1 A 63 63 GLN H H 63 7.563 7.946 -0.383 1
1 615 . 17 1 1 A 63 63 GLN HA H 63 4.282 3.936 0.346 1
1 622 . 17 1 1 A 63 63 GLN C C 63 179.406 178.982 0.424 1
1 623 . 17 1 1 A 63 63 GLN CA C 63 59.050 58.660 0.390 1
1 624 . 17 1 1 A 63 63 GLN CB C 63 29.089 28.059 1.030 1
1 626 . 17 1 1 A 63 63 GLN N N 63 118.216 118.992 -0.776 1
1 628 . 17 1 1 A 64 64 LYS H H 64 8.193 7.587 0.606 1
1 629 . 17 1 1 A 64 64 LYS HA H 64 3.933 3.973 -0.040 1
1 638 . 17 1 1 A 64 64 LYS C C 64 179.858 178.987 0.871 1
1 639 . 17 1 1 A 64 64 LYS CA C 64 60.774 59.598 1.176 1
1 640 . 17 1 1 A 64 64 LYS CB C 64 33.100 31.863 1.237 1
1 644 . 17 1 1 A 64 64 LYS N N 64 119.928 120.037 -0.109 1
1 645 . 17 1 1 A 65 65 GLN H H 65 8.459 7.522 0.937 1
1 646 . 17 1 1 A 65 65 GLN HA H 65 4.056 4.083 -0.027 1
1 653 . 17 1 1 A 65 65 GLN C C 65 177.751 178.108 -0.357 1
1 654 . 17 1 1 A 65 65 GLN CA C 65 58.891 58.803 0.088 1
1 655 . 17 1 1 A 65 65 GLN CB C 65 28.167 28.499 -0.332 1
1 657 . 17 1 1 A 65 65 GLN N N 65 117.874 119.747 -1.873 1
1 659 . 17 1 1 A 66 66 VAL H H 66 7.408 7.772 -0.364 1
1 660 . 17 1 1 A 66 66 VAL HA H 66 3.653 3.700 -0.047 1
1 668 . 17 1 1 A 66 66 VAL C C 66 178.900 177.550 1.350 1
1 669 . 17 1 1 A 66 66 VAL CA C 66 66.860 65.376 1.484 1
1 670 . 17 1 1 A 66 66 VAL CB C 66 31.784 31.494 0.290 1
1 673 . 17 1 1 A 66 66 VAL N N 66 119.348 120.585 -1.237 1
1 674 . 17 1 1 A 67 67 TYR H H 67 7.229 7.713 -0.484 1
1 675 . 17 1 1 A 67 67 TYR HA H 67 4.151 4.382 -0.231 1
1 682 . 17 1 1 A 67 67 TYR C C 67 178.776 178.382 0.394 1
1 683 . 17 1 1 A 67 67 TYR CA C 67 63.307 61.225 2.082 1
1 684 . 17 1 1 A 67 67 TYR CB C 67 39.308 38.176 1.132 1
1 689 . 17 1 1 A 67 67 TYR N N 67 117.638 120.820 -3.182 1
1 690 . 17 1 1 A 68 68 LYS H H 68 8.554 8.585 -0.031 1
1 691 . 17 1 1 A 68 68 LYS HA H 68 4.195 4.103 0.092 1
1 698 . 17 1 1 A 68 68 LYS C C 68 179.468 179.773 -0.305 1
1 699 . 17 1 1 A 68 68 LYS CA C 68 60.703 59.554 1.149 1
1 700 . 17 1 1 A 68 68 LYS CB C 68 32.154 32.552 -0.398 1
1 704 . 17 1 1 A 68 68 LYS N N 68 121.795 119.461 2.334 1
1 705 . 17 1 1 A 69 69 LYS H H 69 8.883 8.152 0.731 1
1 706 . 17 1 1 A 69 69 LYS HA H 69 4.171 3.942 0.229 1
1 715 . 17 1 1 A 69 69 LYS C C 69 180.214 179.442 0.772 1
1 716 . 17 1 1 A 69 69 LYS CA C 69 59.824 59.708 0.116 1
1 717 . 17 1 1 A 69 69 LYS CB C 69 32.072 32.496 -0.424 1
1 721 . 17 1 1 A 69 69 LYS N N 69 120.539 119.733 0.806 1
1 722 . 17 1 1 A 70 70 LYS H H 70 7.791 7.979 -0.188 1
1 723 . 17 1 1 A 70 70 LYS HA H 70 4.211 4.075 0.136 1
1 732 . 17 1 1 A 70 70 LYS C C 70 179.985 179.178 0.807 1
1 733 . 17 1 1 A 70 70 LYS CA C 70 60.017 59.419 0.598 1
1 734 . 17 1 1 A 70 70 LYS CB C 70 33.200 32.445 0.755 1
1 738 . 17 1 1 A 70 70 LYS N N 70 119.946 119.948 -0.002 1
1 739 . 17 1 1 A 71 71 THR H H 71 8.002 8.081 -0.079 1
1 740 . 17 1 1 A 71 71 THR HA H 71 4.301 3.963 0.338 1
1 745 . 17 1 1 A 71 71 THR C C 71 176.462 176.638 -0.176 1
1 746 . 17 1 1 A 71 71 THR CA C 71 66.402 66.442 -0.040 1
1 747 . 17 1 1 A 71 71 THR CB C 71 68.949 68.837 0.112 1
1 749 . 17 1 1 A 71 71 THR N N 71 116.183 114.458 1.725 1
1 750 . 17 1 1 A 72 72 GLU H H 72 8.295 7.711 0.584 1
1 751 . 17 1 1 A 72 72 GLU HA H 72 4.143 4.052 0.091 1
1 756 . 17 1 1 A 72 72 GLU C C 72 179.498 178.938 0.560 1
1 757 . 17 1 1 A 72 72 GLU CA C 72 59.665 59.075 0.590 1
1 758 . 17 1 1 A 72 72 GLU CB C 72 29.400 29.937 -0.537 1
1 760 . 17 1 1 A 72 72 GLU N N 72 123.438 119.470 3.968 1
1 761 . 17 1 1 A 73 73 ALA H H 73 8.063 8.151 -0.088 1
1 762 . 17 1 1 A 73 73 ALA HA H 73 4.262 4.088 0.174 1
1 766 . 17 1 1 A 73 73 ALA C C 73 180.639 180.007 0.632 1
1 767 . 17 1 1 A 73 73 ALA CA C 73 55.268 54.809 0.459 1
1 768 . 17 1 1 A 73 73 ALA CB C 73 17.824 18.263 -0.439 1
1 769 . 17 1 1 A 73 73 ALA N N 73 122.231 123.002 -0.771 1
1 770 . 17 1 1 A 74 74 ALA H H 74 8.093 8.204 -0.111 1
1 771 . 17 1 1 A 74 74 ALA HA H 74 4.320 4.149 0.171 1
1 775 . 17 1 1 A 74 74 ALA C C 74 181.394 179.529 1.865 1
1 776 . 17 1 1 A 74 74 ALA CA C 74 54.904 54.822 0.082 1
1 777 . 17 1 1 A 74 74 ALA CB C 74 18.313 18.496 -0.183 1
1 778 . 17 1 1 A 74 74 ALA N N 74 121.882 120.490 1.392 1
1 779 . 17 1 1 A 75 75 LYS H H 75 8.661 7.940 0.721 1
1 780 . 17 1 1 A 75 75 LYS HA H 75 4.053 4.088 -0.035 1
1 786 . 17 1 1 A 75 75 LYS C C 75 178.096 178.505 -0.409 1
1 787 . 17 1 1 A 75 75 LYS CA C 75 60.510 59.550 0.960 1
1 788 . 17 1 1 A 75 75 LYS CB C 75 32.236 32.102 0.134 1
1 792 . 17 1 1 A 75 75 LYS N N 75 121.652 118.267 3.385 1
1 793 . 17 1 1 A 76 76 LYS H H 76 7.855 8.321 -0.466 1
1 794 . 17 1 1 A 76 76 LYS HA H 76 4.110 3.980 0.130 1
1 799 . 17 1 1 A 76 76 LYS C C 76 179.822 178.913 0.909 1
1 800 . 17 1 1 A 76 76 LYS CA C 76 59.993 60.083 -0.090 1
1 801 . 17 1 1 A 76 76 LYS CB C 76 32.401 32.321 0.080 1
1 805 . 17 1 1 A 76 76 LYS N N 76 119.219 118.327 0.892 1
1 806 . 17 1 1 A 77 77 GLU H H 77 7.880 7.831 0.049 1
1 807 . 17 1 1 A 77 77 GLU HA H 77 4.233 4.076 0.157 1
1 812 . 17 1 1 A 77 77 GLU C C 77 178.358 178.119 0.239 1
1 813 . 17 1 1 A 77 77 GLU CA C 77 58.980 59.263 -0.283 1
1 814 . 17 1 1 A 77 77 GLU CB C 77 29.235 29.228 0.007 1
1 816 . 17 1 1 A 77 77 GLU N N 77 119.640 118.455 1.185 1
1 817 . 17 1 1 A 78 78 TYR H H 78 8.391 8.165 0.226 1
1 818 . 17 1 1 A 78 78 TYR HA H 78 4.413 4.082 0.331 1
1 825 . 17 1 1 A 78 78 TYR C C 78 176.737 177.134 -0.397 1
1 826 . 17 1 1 A 78 78 TYR CA C 78 60.809 61.322 -0.513 1
1 827 . 17 1 1 A 78 78 TYR CB C 78 38.239 38.673 -0.434 1
1 832 . 17 1 1 A 78 78 TYR N N 78 121.464 122.204 -0.740 1
1 833 . 17 1 1 A 79 79 LEU H H 79 8.203 8.394 -0.191 1
1 834 . 17 1 1 A 79 79 LEU HA H 79 3.764 3.651 0.113 1
1 844 . 17 1 1 A 79 79 LEU C C 79 180.728 179.166 1.562 1
1 845 . 17 1 1 A 79 79 LEU CA C 79 58.170 58.089 0.081 1
1 846 . 17 1 1 A 79 79 LEU CB C 79 41.445 41.454 -0.009 1
1 850 . 17 1 1 A 79 79 LEU N N 79 118.433 119.816 -1.383 1
1 851 . 17 1 1 A 80 80 LYS H H 80 7.523 7.969 -0.446 1
1 852 . 17 1 1 A 80 80 LYS HA H 80 4.134 3.861 0.273 1
1 861 . 17 1 1 A 80 80 LYS C C 80 179.804 179.758 0.046 1
1 862 . 17 1 1 A 80 80 LYS CA C 80 59.630 60.361 -0.731 1
1 863 . 17 1 1 A 80 80 LYS CB C 80 32.400 32.374 0.026 1
1 867 . 17 1 1 A 80 80 LYS N N 80 120.723 118.163 2.560 1
1 868 . 17 1 1 A 81 81 GLN H H 81 8.473 7.895 0.578 1
1 869 . 17 1 1 A 81 81 GLN HA H 81 4.144 4.000 0.144 1
1 876 . 17 1 1 A 81 81 GLN C C 81 179.906 178.467 1.439 1
1 877 . 17 1 1 A 81 81 GLN CA C 81 58.628 58.599 0.029 1
1 878 . 17 1 1 A 81 81 GLN CB C 81 28.273 28.158 0.115 1
1 880 . 17 1 1 A 81 81 GLN N N 81 120.899 118.893 2.006 1
1 882 . 17 1 1 A 82 82 LEU H H 82 9.233 8.192 1.041 1
1 883 . 17 1 1 A 82 82 LEU HA H 82 3.963 3.936 0.027 1
1 893 . 17 1 1 A 82 82 LEU C C 82 178.293 178.233 0.060 1
1 894 . 17 1 1 A 82 82 LEU CA C 82 57.959 57.956 0.003 1
1 895 . 17 1 1 A 82 82 LEU CB C 82 42.044 41.552 0.492 1
1 899 . 17 1 1 A 82 82 LEU N N 82 123.463 121.260 2.203 1
1 900 . 17 1 1 A 83 83 ALA H H 83 7.732 8.676 -0.944 1
1 901 . 17 1 1 A 83 83 ALA HA H 83 4.223 3.968 0.255 1
1 905 . 17 1 1 A 83 83 ALA C C 83 180.853 179.436 1.417 1
1 906 . 17 1 1 A 83 83 ALA CA C 83 54.944 55.256 -0.312 1
1 907 . 17 1 1 A 83 83 ALA CB C 83 17.765 18.460 -0.695 1
1 908 . 17 1 1 A 83 83 ALA N N 83 120.956 120.226 0.730 1
1 909 . 17 1 1 A 84 84 ALA H H 84 7.716 7.692 0.024 1
1 910 . 17 1 1 A 84 84 ALA HA H 84 4.135 4.040 0.095 1
1 914 . 17 1 1 A 84 84 ALA C C 84 180.256 178.856 1.400 1
1 915 . 17 1 1 A 84 84 ALA CA C 84 55.234 54.850 0.384 1
1 916 . 17 1 1 A 84 84 ALA CB C 84 17.806 18.785 -0.979 1
1 917 . 17 1 1 A 84 84 ALA N N 84 121.082 120.051 1.031 1
1 918 . 17 1 1 A 85 85 TYR H H 85 8.453 8.430 0.023 1
1 919 . 17 1 1 A 85 85 TYR HA H 85 4.310 3.911 0.399 1
1 926 . 17 1 1 A 85 85 TYR C C 85 178.538 177.501 1.037 1
1 927 . 17 1 1 A 85 85 TYR CA C 85 60.862 62.155 -1.293 1
1 928 . 17 1 1 A 85 85 TYR CB C 85 38.444 38.797 -0.353 1
1 933 . 17 1 1 A 85 85 TYR N N 85 121.359 119.972 1.387 1
1 934 . 17 1 1 A 86 86 ARG H H 86 8.734 7.907 0.827 1
1 935 . 17 1 1 A 86 86 ARG HA H 86 3.713 3.757 -0.044 1
1 942 . 17 1 1 A 86 86 ARG C C 86 178.962 179.143 -0.181 1
1 943 . 17 1 1 A 86 86 ARG CA C 86 59.454 59.461 -0.007 1
1 944 . 17 1 1 A 86 86 ARG CB C 86 29.605 29.962 -0.357 1
1 947 . 17 1 1 A 86 86 ARG N N 86 119.740 118.536 1.204 1
1 948 . 17 1 1 A 87 87 ALA H H 87 7.853 8.062 -0.209 1
1 949 . 17 1 1 A 87 87 ALA HA H 87 4.195 3.813 0.382 1
1 953 . 17 1 1 A 87 87 ALA C C 87 179.605 179.258 0.347 1
1 954 . 17 1 1 A 87 87 ALA CA C 87 54.353 54.249 0.104 1
1 955 . 17 1 1 A 87 87 ALA CB C 87 17.971 18.060 -0.089 1
1 956 . 17 1 1 A 87 87 ALA N N 87 120.667 121.942 -1.275 1
1 957 . 17 1 1 A 88 88 SER H H 88 7.763 7.446 0.317 1
1 958 . 17 1 1 A 88 88 SER HA H 88 4.347 4.383 -0.036 1
1 961 . 17 1 1 A 88 88 SER C C 88 175.219 176.501 -1.282 1
1 962 . 17 1 1 A 88 88 SER CA C 88 60.158 60.741 -0.583 1
1 963 . 17 1 1 A 88 88 SER CB C 88 63.440 63.289 0.151 1
1 964 . 17 1 1 A 88 88 SER N N 88 114.332 112.413 1.919 1
1 965 . 17 1 1 A 89 89 LEU H H 89 7.344 7.502 -0.158 1
1 966 . 17 1 1 A 89 89 LEU HA H 89 4.163 3.957 0.206 1
1 976 . 17 1 1 A 89 89 LEU C C 89 178.335 177.092 1.243 1
1 977 . 17 1 1 A 89 89 LEU CA C 89 56.059 57.560 -1.501 1
1 978 . 17 1 1 A 89 89 LEU CB C 89 42.062 41.726 0.336 1
1 982 . 17 1 1 A 89 89 LEU N N 89 121.862 121.322 0.540 1
1 983 . 17 1 1 A 90 90 VAL H H 90 7.533 7.720 -0.187 1
1 984 . 17 1 1 A 90 90 VAL HA H 90 4.063 4.009 0.054 1
1 992 . 17 1 1 A 90 90 VAL C C 90 176.743 175.236 1.507 1
1 993 . 17 1 1 A 90 90 VAL CA C 90 63.183 61.629 1.554 1
1 994 . 17 1 1 A 90 90 VAL CB C 90 32.318 33.291 -0.973 1
1 997 . 17 1 1 A 90 90 VAL N N 90 117.748 118.101 -0.353 1
1 998 . 17 1 1 A 91 91 SER H H 91 8.059 8.937 -0.878 1
1 999 . 17 1 1 A 91 91 SER HA H 91 4.415 4.758 -0.343 1
1 1002 . 17 1 1 A 91 91 SER C C 91 174.854 175.791 -0.937 1
1 1003 . 17 1 1 A 91 91 SER CA C 91 58.861 59.472 -0.611 1
1 1004 . 17 1 1 A 91 91 SER CB C 91 63.810 65.760 -1.950 1
1 1005 . 17 1 1 A 91 91 SER N N 91 117.663 116.061 1.602 1
1 1006 . 17 1 1 A 92 92 LYS H H 92 8.158 8.109 0.049 1
1 1007 . 17 1 1 A 92 92 LYS HA H 92 4.329 4.633 -0.304 1
1 1010 . 17 1 1 A 92 92 LYS C C 92 176.528 177.744 -1.216 1
1 1011 . 17 1 1 A 92 92 LYS CA C 92 56.551 56.630 -0.079 1
1 1012 . 17 1 1 A 92 92 LYS CB C 92 32.771 33.768 -0.997 1
1 1016 . 17 1 1 A 92 92 LYS N N 92 122.827 117.284 5.543 1
1 1017 . 17 1 1 A 93 93 SER H H 93 8.186 8.147 0.039 1
1 1018 . 17 1 1 A 93 93 SER HA H 93 4.444 4.187 0.257 1
1 1021 . 17 1 1 A 93 93 SER C C 93 174.271 175.086 -0.815 1
1 1022 . 17 1 1 A 93 93 SER CA C 93 58.504 62.338 -3.834 1
1 1023 . 17 1 1 A 93 93 SER CB C 93 63.933 63.317 0.616 1
1 1024 . 17 1 1 A 93 93 SER N N 93 116.068 116.324 -0.256 1
1 1025 . 17 1 1 A 94 94 TYR H H 94 8.146 7.923 0.223 1
1 1026 . 17 1 1 A 94 94 TYR HA H 94 4.658 4.283 0.375 1
1 1033 . 17 1 1 A 94 94 TYR C C 94 176.011 176.414 -0.403 1
1 1034 . 17 1 1 A 94 94 TYR CA C 94 58.135 60.079 -1.944 1
1 1035 . 17 1 1 A 94 94 TYR CB C 94 38.855 39.206 -0.351 1
1 1040 . 17 1 1 A 94 94 TYR N N 94 122.150 122.841 -0.691 1
1 1041 . 17 1 1 A 95 95 THR H H 95 8.024 7.323 0.701 1
1 1042 . 17 1 1 A 95 95 THR HA H 95 4.333 3.574 0.759 1
1 1047 . 17 1 1 A 95 95 THR C C 95 174.054 173.254 0.800 1
1 1048 . 17 1 1 A 95 95 THR CA C 95 61.740 65.286 -3.546 1
1 1049 . 17 1 1 A 95 95 THR CB C 95 69.977 66.542 3.435 1
1 1051 . 17 1 1 A 95 95 THR N N 95 115.298 113.264 2.034 1
1 1052 . 17 1 1 A 96 96 ASP H H 96 8.288 8.522 -0.234 1
1 1053 . 17 1 1 A 96 96 ASP HA H 96 4.663 4.226 0.437 1
1 1056 . 17 1 1 A 96 96 ASP C C 96 176.252 176.523 -0.271 1
1 1057 . 17 1 1 A 96 96 ASP CA C 96 54.494 55.577 -1.083 1
1 1058 . 17 1 1 A 96 96 ASP CB C 96 41.404 40.787 0.617 1
1 1059 . 17 1 1 A 96 96 ASP N N 96 122.969 121.804 1.165 1
1 1060 . 17 1 1 A 97 97 SER H H 97 8.272 8.665 -0.393 1
1 1061 . 17 1 1 A 97 97 SER HA H 97 4.500 4.379 0.121 1
1 1063 . 17 1 1 A 97 97 SER C C 97 174.845 173.921 0.924 1
1 1064 . 17 1 1 A 97 97 SER CA C 97 58.522 60.032 -1.510 1
1 1065 . 17 1 1 A 97 97 SER CB C 97 63.656 63.041 0.615 1
1 1066 . 17 1 1 A 97 97 SER N N 97 116.137 117.974 -1.837 1
1 1067 . 17 1 1 A 98 98 GLY H H 98 8.289 8.365 -0.076 1
1 1068 . 17 1 1 A 98 98 GLY HA2 H 98 4.123 3.936 0.187 1
1 1069 . 17 1 1 A 98 98 GLY HA3 H 98 4.123 3.965 0.158 1
1 1070 . 17 1 1 A 98 98 GLY C C 98 171.920 173.583 -1.663 1
1 1071 . 17 1 1 A 98 98 GLY CA C 98 44.748 44.840 -0.092 1
1 1072 . 17 1 1 A 98 98 GLY N N 98 110.751 108.076 2.675 1
1 1073 . 17 1 1 A 99 99 PRO HA H 99 4.490 4.580 -0.090 1
1 1080 . 17 1 1 A 99 99 PRO CA C 99 63.373 62.674 0.699 1
1 1081 . 17 1 1 A 99 99 PRO CB C 99 32.247 33.270 -1.023 1
1 1 . 18 1 1 A 12 12 LYS HA H 12 4.317 5.308 -0.991 1
1 6 . 18 1 1 A 12 12 LYS C C 12 176.329 174.955 1.374 1
1 7 . 18 1 1 A 12 12 LYS CA C 12 56.223 54.180 2.043 1
1 8 . 18 1 1 A 12 12 LYS CB C 12 33.117 37.457 -4.340 1
1 12 . 18 1 1 A 13 13 LYS H H 13 8.394 8.656 -0.262 1
1 13 . 18 1 1 A 13 13 LYS HA H 13 4.273 4.468 -0.195 1
1 18 . 18 1 1 A 13 13 LYS C C 13 175.990 174.716 1.274 1
1 19 . 18 1 1 A 13 13 LYS CA C 13 56.222 55.569 0.653 1
1 20 . 18 1 1 A 13 13 LYS CB C 13 33.223 35.586 -2.363 1
1 24 . 18 1 1 A 13 13 LYS N N 13 123.900 119.760 4.140 1
1 25 . 18 1 1 A 14 14 ASP H H 14 8.625 8.827 -0.202 1
1 26 . 18 1 1 A 14 14 ASP HA H 14 4.902 4.176 0.726 1
1 29 . 18 1 1 A 14 14 ASP CA C 14 51.958 54.866 -2.908 1
1 30 . 18 1 1 A 14 14 ASP CB C 14 41.422 39.393 2.029 1
1 31 . 18 1 1 A 14 14 ASP N N 14 124.861 121.577 3.284 1
1 32 . 18 1 1 A 15 15 PRO HA H 15 4.442 4.416 0.026 1
1 39 . 18 1 1 A 15 15 PRO C C 15 176.634 177.501 -0.867 1
1 40 . 18 1 1 A 15 15 PRO CA C 15 63.606 64.761 -1.155 1
1 41 . 18 1 1 A 15 15 PRO CB C 15 32.323 31.951 0.372 1
1 44 . 18 1 1 A 16 16 ASN H H 16 8.414 7.680 0.734 1
1 45 . 18 1 1 A 16 16 ASN HA H 16 4.683 4.848 -0.165 1
1 50 . 18 1 1 A 16 16 ASN C C 16 174.365 174.966 -0.601 1
1 51 . 18 1 1 A 16 16 ASN CA C 16 52.946 53.963 -1.017 1
1 52 . 18 1 1 A 16 16 ASN CB C 16 39.266 39.823 -0.557 1
1 53 . 18 1 1 A 16 16 ASN N N 16 116.873 111.434 5.439 1
1 55 . 18 1 1 A 17 17 GLU H H 17 7.712 7.740 -0.028 1
1 56 . 18 1 1 A 17 17 GLU HA H 17 3.233 3.219 0.014 1
1 61 . 18 1 1 A 17 17 GLU C C 17 174.415 174.997 -0.582 1
1 62 . 18 1 1 A 17 17 GLU CA C 17 54.423 54.265 0.158 1
1 63 . 18 1 1 A 17 17 GLU CB C 17 29.911 30.273 -0.362 1
1 65 . 18 1 1 A 17 17 GLU N N 17 122.673 120.771 1.902 1
1 66 . 18 1 1 A 18 18 PRO HA H 18 4.384 4.489 -0.105 1
1 73 . 18 1 1 A 18 18 PRO CA C 18 62.896 62.849 0.047 1
1 74 . 18 1 1 A 18 18 PRO CB C 18 31.963 32.208 -0.245 1
1 77 . 18 1 1 A 19 19 GLN H H 19 8.654 8.345 0.309 1
1 78 . 18 1 1 A 19 19 GLN HA H 19 4.293 4.546 -0.253 1
1 85 . 18 1 1 A 19 19 GLN C C 19 175.384 174.928 0.456 1
1 86 . 18 1 1 A 19 19 GLN CA C 19 55.057 55.114 -0.057 1
1 87 . 18 1 1 A 19 19 GLN CB C 19 29.793 29.123 0.670 1
1 89 . 18 1 1 A 19 19 GLN N N 19 122.106 119.250 2.856 1
1 91 . 18 1 1 A 20 20 LYS H H 20 8.383 8.169 0.214 1
1 92 . 18 1 1 A 20 20 LYS HA H 20 3.393 2.925 0.468 1
1 101 . 18 1 1 A 20 20 LYS C C 20 174.706 174.983 -0.277 1
1 102 . 18 1 1 A 20 20 LYS CA C 20 54.951 53.697 1.254 1
1 103 . 18 1 1 A 20 20 LYS CB C 20 31.802 32.448 -0.646 1
1 107 . 18 1 1 A 20 20 LYS N N 20 124.861 126.019 -1.158 1
1 108 . 18 1 1 A 21 21 PRO HA H 21 4.500 4.506 -0.006 1
1 115 . 18 1 1 A 21 21 PRO C C 21 176.741 176.445 0.296 1
1 116 . 18 1 1 A 21 21 PRO CA C 21 62.396 62.542 -0.146 1
1 117 . 18 1 1 A 21 21 PRO CB C 21 32.392 32.096 0.296 1
1 120 . 18 1 1 A 22 22 VAL H H 22 7.850 8.190 -0.340 1
1 121 . 18 1 1 A 22 22 VAL HA H 22 4.303 4.437 -0.134 1
1 129 . 18 1 1 A 22 22 VAL C C 22 175.615 175.451 0.164 1
1 130 . 18 1 1 A 22 22 VAL CA C 22 60.967 59.783 1.184 1
1 131 . 18 1 1 A 22 22 VAL CB C 22 32.342 33.822 -1.480 1
1 134 . 18 1 1 A 22 22 VAL N N 22 115.924 116.585 -0.661 1
1 135 . 18 1 1 A 23 23 SER H H 23 8.125 8.578 -0.453 1
1 136 . 18 1 1 A 23 23 SER HA H 23 4.433 4.510 -0.077 1
1 139 . 18 1 1 A 23 23 SER C C 23 173.516 175.571 -2.055 1
1 140 . 18 1 1 A 23 23 SER CA C 23 57.590 58.479 -0.889 1
1 141 . 18 1 1 A 23 23 SER CB C 23 65.578 64.077 1.501 1
1 142 . 18 1 1 A 23 23 SER N N 23 116.922 118.302 -1.380 1
1 143 . 18 1 1 A 24 24 ALA H H 24 8.707 8.991 -0.284 1
1 144 . 18 1 1 A 24 24 ALA HA H 24 4.046 4.164 -0.118 1
1 148 . 18 1 1 A 24 24 ALA C C 24 178.727 179.333 -0.606 1
1 149 . 18 1 1 A 24 24 ALA CA C 24 55.971 55.249 0.722 1
1 150 . 18 1 1 A 24 24 ALA CB C 24 18.505 18.788 -0.283 1
1 151 . 18 1 1 A 24 24 ALA N N 24 123.025 128.203 -5.178 1
1 152 . 18 1 1 A 25 25 TYR H H 25 8.119 8.079 0.040 1
1 153 . 18 1 1 A 25 25 TYR HA H 25 2.678 2.284 0.394 1
1 160 . 18 1 1 A 25 25 TYR C C 25 176.253 177.329 -1.076 1
1 161 . 18 1 1 A 25 25 TYR CA C 25 60.281 60.627 -0.346 1
1 162 . 18 1 1 A 25 25 TYR CB C 25 37.951 37.970 -0.019 1
1 167 . 18 1 1 A 25 25 TYR N N 25 115.954 119.118 -3.164 1
1 168 . 18 1 1 A 26 26 ALA H H 26 7.742 7.725 0.017 1
1 169 . 18 1 1 A 26 26 ALA HA H 26 3.758 3.755 0.003 1
1 173 . 18 1 1 A 26 26 ALA C C 26 181.489 179.612 1.877 1
1 174 . 18 1 1 A 26 26 ALA CA C 26 54.859 54.451 0.408 1
1 175 . 18 1 1 A 26 26 ALA CB C 26 18.029 18.481 -0.452 1
1 176 . 18 1 1 A 26 26 ALA N N 26 121.384 121.158 0.226 1
1 177 . 18 1 1 A 27 27 LEU H H 27 7.991 8.218 -0.227 1
1 178 . 18 1 1 A 27 27 LEU HA H 27 4.023 3.962 0.061 1
1 188 . 18 1 1 A 27 27 LEU C C 27 178.625 177.992 0.633 1
1 189 . 18 1 1 A 27 27 LEU CA C 27 57.876 57.666 0.210 1
1 190 . 18 1 1 A 27 27 LEU CB C 27 42.103 41.259 0.844 1
1 194 . 18 1 1 A 27 27 LEU N N 27 120.626 118.739 1.887 1
1 195 . 18 1 1 A 28 28 PHE H H 28 7.706 7.412 0.294 1
1 196 . 18 1 1 A 28 28 PHE HA H 28 3.653 3.809 -0.156 1
1 204 . 18 1 1 A 28 28 PHE C C 28 178.640 177.388 1.252 1
1 205 . 18 1 1 A 28 28 PHE CA C 28 61.653 59.285 2.368 1
1 206 . 18 1 1 A 28 28 PHE CB C 28 39.060 39.502 -0.442 1
1 212 . 18 1 1 A 28 28 PHE N N 28 122.656 119.179 3.477 1
1 213 . 18 1 1 A 29 29 PHE H H 29 9.246 8.053 1.193 1
1 214 . 18 1 1 A 29 29 PHE HA H 29 3.483 3.885 -0.402 1
1 222 . 18 1 1 A 29 29 PHE C C 29 177.478 177.587 -0.109 1
1 223 . 18 1 1 A 29 29 PHE CA C 29 61.126 61.039 0.087 1
1 224 . 18 1 1 A 29 29 PHE CB C 29 38.837 38.885 -0.048 1
1 230 . 18 1 1 A 29 29 PHE N N 29 123.986 119.502 4.484 1
1 231 . 18 1 1 A 30 30 ARG H H 30 8.044 8.121 -0.077 1
1 232 . 18 1 1 A 30 30 ARG HA H 30 4.046 4.169 -0.123 1
1 239 . 18 1 1 A 30 30 ARG C C 30 179.156 177.418 1.738 1
1 240 . 18 1 1 A 30 30 ARG CA C 30 59.542 58.046 1.496 1
1 241 . 18 1 1 A 30 30 ARG CB C 30 30.053 28.901 1.152 1
1 244 . 18 1 1 A 30 30 ARG N N 30 119.141 118.434 0.707 1
1 245 . 18 1 1 A 31 31 ASP H H 31 7.712 7.982 -0.270 1
1 246 . 18 1 1 A 31 31 ASP HA H 31 4.523 4.661 -0.138 1
1 249 . 18 1 1 A 31 31 ASP C C 31 177.850 177.838 0.012 1
1 250 . 18 1 1 A 31 31 ASP CA C 31 56.516 55.815 0.701 1
1 251 . 18 1 1 A 31 31 ASP CB C 31 40.664 41.540 -0.876 1
1 252 . 18 1 1 A 31 31 ASP N N 31 118.527 118.694 -0.167 1
1 253 . 18 1 1 A 32 32 THR H H 32 7.704 7.290 0.414 1
1 254 . 18 1 1 A 32 32 THR HA H 32 3.953 3.812 0.141 1
1 259 . 18 1 1 A 32 32 THR C C 32 175.637 175.634 0.003 1
1 260 . 18 1 1 A 32 32 THR CA C 32 65.030 66.138 -1.108 1
1 261 . 18 1 1 A 32 32 THR CB C 32 69.195 68.463 0.732 1
1 263 . 18 1 1 A 32 32 THR N N 32 115.935 116.082 -0.147 1
1 264 . 18 1 1 A 33 33 GLN H H 33 8.361 8.025 0.336 1
1 265 . 18 1 1 A 33 33 GLN HA H 33 3.373 3.576 -0.203 1
1 272 . 18 1 1 A 33 33 GLN C C 33 176.526 177.724 -1.198 1
1 273 . 18 1 1 A 33 33 GLN CA C 33 60.000 58.845 1.155 1
1 274 . 18 1 1 A 33 33 GLN CB C 33 26.827 28.238 -1.411 1
1 276 . 18 1 1 A 33 33 GLN N N 33 120.539 119.450 1.089 1
1 278 . 18 1 1 A 34 34 ALA H H 34 8.053 8.032 0.021 1
1 279 . 18 1 1 A 34 34 ALA HA H 34 3.964 3.985 -0.021 1
1 283 . 18 1 1 A 34 34 ALA C C 34 180.762 179.936 0.826 1
1 284 . 18 1 1 A 34 34 ALA CA C 34 55.338 55.204 0.134 1
1 285 . 18 1 1 A 34 34 ALA CB C 34 17.724 18.611 -0.887 1
1 286 . 18 1 1 A 34 34 ALA N N 34 120.505 120.560 -0.055 1
1 287 . 18 1 1 A 35 35 ALA H H 35 7.763 8.085 -0.322 1
1 288 . 18 1 1 A 35 35 ALA HA H 35 4.135 4.113 0.022 1
1 292 . 18 1 1 A 35 35 ALA C C 35 180.801 180.075 0.726 1
1 293 . 18 1 1 A 35 35 ALA CA C 35 54.635 55.026 -0.391 1
1 294 . 18 1 1 A 35 35 ALA CB C 35 17.888 18.233 -0.345 1
1 295 . 18 1 1 A 35 35 ALA N N 35 122.109 119.966 2.143 1
1 296 . 18 1 1 A 36 36 ILE H H 36 7.673 7.854 -0.181 1
1 297 . 18 1 1 A 36 36 ILE HA H 36 3.753 3.579 0.174 1
1 307 . 18 1 1 A 36 36 ILE C C 36 179.213 177.820 1.393 1
1 308 . 18 1 1 A 36 36 ILE CA C 36 62.955 64.916 -1.961 1
1 309 . 18 1 1 A 36 36 ILE CB C 36 36.388 37.501 -1.113 1
1 313 . 18 1 1 A 36 36 ILE N N 36 118.252 118.762 -0.510 1
1 314 . 18 1 1 A 37 37 LYS H H 37 8.444 8.526 -0.082 1
1 315 . 18 1 1 A 37 37 LYS HA H 37 3.982 3.935 0.047 1
1 324 . 18 1 1 A 37 37 LYS C C 37 178.872 179.345 -0.473 1
1 325 . 18 1 1 A 37 37 LYS CA C 37 58.715 59.880 -1.165 1
1 326 . 18 1 1 A 37 37 LYS CB C 37 31.802 32.025 -0.223 1
1 330 . 18 1 1 A 37 37 LYS N N 37 121.415 119.875 1.540 1
1 331 . 18 1 1 A 38 38 GLY H H 38 7.873 8.637 -0.764 1
1 332 . 18 1 1 A 38 38 GLY HA2 H 38 3.849 3.746 0.103 1
1 333 . 18 1 1 A 38 38 GLY HA3 H 38 3.849 3.752 0.097 1
1 334 . 18 1 1 A 38 38 GLY C C 38 175.341 176.373 -1.032 1
1 335 . 18 1 1 A 38 38 GLY CA C 38 46.490 47.399 -0.909 1
1 336 . 18 1 1 A 38 38 GLY N N 38 104.723 106.938 -2.215 1
1 337 . 18 1 1 A 39 39 GLN H H 39 7.288 7.644 -0.356 1
1 338 . 18 1 1 A 39 39 GLN HA H 39 4.313 4.181 0.132 1
1 345 . 18 1 1 A 39 39 GLN C C 39 175.814 176.069 -0.255 1
1 346 . 18 1 1 A 39 39 GLN CA C 39 56.482 57.765 -1.283 1
1 347 . 18 1 1 A 39 39 GLN CB C 39 30.074 29.098 0.976 1
1 349 . 18 1 1 A 39 39 GLN N N 39 117.295 120.133 -2.838 1
1 351 . 18 1 1 A 40 40 ASN H H 40 7.780 7.670 0.110 1
1 352 . 18 1 1 A 40 40 ASN HA H 40 5.159 5.197 -0.038 1
1 357 . 18 1 1 A 40 40 ASN C C 40 172.428 173.396 -0.968 1
1 358 . 18 1 1 A 40 40 ASN CA C 40 50.877 50.367 0.510 1
1 359 . 18 1 1 A 40 40 ASN CB C 40 39.595 38.852 0.743 1
1 360 . 18 1 1 A 40 40 ASN N N 40 115.989 117.172 -1.183 1
1 362 . 18 1 1 A 41 41 PRO HA H 41 4.523 4.385 0.138 1
1 369 . 18 1 1 A 41 41 PRO C C 41 177.550 178.153 -0.603 1
1 370 . 18 1 1 A 41 41 PRO CA C 41 64.837 64.295 0.542 1
1 371 . 18 1 1 A 41 41 PRO CB C 41 32.073 31.831 0.242 1
1 374 . 18 1 1 A 42 42 ASN H H 42 8.363 8.358 0.005 1
1 375 . 18 1 1 A 42 42 ASN HA H 42 4.853 4.476 0.377 1
1 380 . 18 1 1 A 42 42 ASN C C 42 175.387 176.864 -1.477 1
1 381 . 18 1 1 A 42 42 ASN CA C 42 52.753 55.789 -3.036 1
1 382 . 18 1 1 A 42 42 ASN CB C 42 38.879 38.154 0.725 1
1 383 . 18 1 1 A 42 42 ASN N N 42 114.677 115.444 -0.767 1
1 385 . 18 1 1 A 43 43 ALA H H 43 7.533 7.140 0.393 1
1 386 . 18 1 1 A 43 43 ALA HA H 43 4.443 4.259 0.184 1
1 390 . 18 1 1 A 43 43 ALA C C 43 178.490 176.926 1.564 1
1 391 . 18 1 1 A 43 43 ALA CA C 43 52.647 52.638 0.009 1
1 392 . 18 1 1 A 43 43 ALA CB C 43 19.314 19.583 -0.269 1
1 393 . 18 1 1 A 43 43 ALA N N 43 124.307 121.145 3.162 1
1 394 . 18 1 1 A 44 44 THR H H 44 8.698 8.356 0.342 1
1 395 . 18 1 1 A 44 44 THR HA H 44 4.482 4.865 -0.383 1
1 400 . 18 1 1 A 44 44 THR C C 44 175.408 174.802 0.606 1
1 401 . 18 1 1 A 44 44 THR CA C 44 60.791 59.911 0.880 1
1 402 . 18 1 1 A 44 44 THR CB C 44 71.516 69.117 2.399 1
1 404 . 18 1 1 A 44 44 THR N N 44 114.309 109.442 4.867 1
1 405 . 18 1 1 A 45 45 PHE HA H 45 4.303 4.442 -0.139 1
1 410 . 18 1 1 A 45 45 PHE CA C 45 61.982 60.285 1.697 1
1 411 . 18 1 1 A 45 45 PHE CB C 45 38.942 38.863 0.079 1
1 414 . 18 1 1 A 46 46 GLY HA2 H 46 3.962 3.528 0.434 1
1 415 . 18 1 1 A 46 46 GLY HA3 H 46 3.745 3.748 -0.003 1
1 416 . 18 1 1 A 46 46 GLY C C 46 176.621 176.231 0.390 1
1 417 . 18 1 1 A 46 46 GLY CA C 46 46.930 47.103 -0.173 1
1 418 . 18 1 1 A 47 47 GLU H H 47 7.692 8.000 -0.308 1
1 419 . 18 1 1 A 47 47 GLU HA H 47 4.053 4.053 0.000 1
1 424 . 18 1 1 A 47 47 GLU C C 47 179.472 179.047 0.425 1
1 425 . 18 1 1 A 47 47 GLU CA C 47 59.296 59.298 -0.002 1
1 426 . 18 1 1 A 47 47 GLU CB C 47 29.769 29.869 -0.100 1
1 428 . 18 1 1 A 47 47 GLU N N 47 123.040 121.648 1.392 1
1 429 . 18 1 1 A 48 48 VAL H H 48 8.504 8.018 0.486 1
1 430 . 18 1 1 A 48 48 VAL HA H 48 3.413 3.558 -0.145 1
1 438 . 18 1 1 A 48 48 VAL C C 48 177.640 178.293 -0.653 1
1 439 . 18 1 1 A 48 48 VAL CA C 48 67.159 66.531 0.628 1
1 440 . 18 1 1 A 48 48 VAL CB C 48 31.820 31.630 0.190 1
1 443 . 18 1 1 A 48 48 VAL N N 48 120.194 120.515 -0.321 1
1 444 . 18 1 1 A 49 49 SER H H 49 8.442 8.335 0.107 1
1 445 . 18 1 1 A 49 49 SER HA H 49 4.093 4.185 -0.092 1
1 448 . 18 1 1 A 49 49 SER C C 49 176.016 176.233 -0.217 1
1 449 . 18 1 1 A 49 49 SER CA C 49 62.500 61.956 0.544 1
1 450 . 18 1 1 A 49 49 SER CB C 49 62.653 62.842 -0.189 1
1 451 . 18 1 1 A 49 49 SER N N 49 113.484 115.783 -2.299 1
1 452 . 18 1 1 A 50 50 LYS H H 50 7.474 7.714 -0.240 1
1 453 . 18 1 1 A 50 50 LYS HA H 50 4.132 3.996 0.136 1
1 462 . 18 1 1 A 50 50 LYS C C 50 179.463 178.992 0.471 1
1 463 . 18 1 1 A 50 50 LYS CA C 50 59.525 59.643 -0.118 1
1 464 . 18 1 1 A 50 50 LYS CB C 50 32.606 32.468 0.138 1
1 468 . 18 1 1 A 50 50 LYS N N 50 120.865 121.243 -0.378 1
1 469 . 18 1 1 A 51 51 ILE H H 51 7.853 7.530 0.323 1
1 470 . 18 1 1 A 51 51 ILE HA H 51 3.793 3.690 0.103 1
1 480 . 18 1 1 A 51 51 ILE C C 51 179.105 178.130 0.975 1
1 481 . 18 1 1 A 51 51 ILE CA C 51 65.488 65.116 0.372 1
1 482 . 18 1 1 A 51 51 ILE CB C 51 38.603 37.544 1.059 1
1 486 . 18 1 1 A 51 51 ILE N N 51 121.720 119.764 1.956 1
1 487 . 18 1 1 A 52 52 VAL H H 52 8.703 8.103 0.600 1
1 488 . 18 1 1 A 52 52 VAL HA H 52 3.659 3.635 0.024 1
1 496 . 18 1 1 A 52 52 VAL C C 52 178.262 177.977 0.285 1
1 497 . 18 1 1 A 52 52 VAL CA C 52 67.388 66.868 0.520 1
1 498 . 18 1 1 A 52 52 VAL CB C 52 31.185 31.446 -0.261 1
1 501 . 18 1 1 A 52 52 VAL N N 52 121.006 120.061 0.945 1
1 502 . 18 1 1 A 53 53 ALA H H 53 8.343 8.811 -0.468 1
1 503 . 18 1 1 A 53 53 ALA HA H 53 4.412 4.538 -0.126 1
1 507 . 18 1 1 A 53 53 ALA C C 53 180.884 180.200 0.684 1
1 508 . 18 1 1 A 53 53 ALA CA C 53 56.271 55.909 0.362 1
1 509 . 18 1 1 A 53 53 ALA CB C 53 17.888 18.703 -0.815 1
1 510 . 18 1 1 A 53 53 ALA N N 53 122.645 122.045 0.600 1
1 511 . 18 1 1 A 54 54 SER H H 54 7.905 7.993 -0.088 1
1 512 . 18 1 1 A 54 54 SER HA H 54 4.415 4.162 0.253 1
1 515 . 18 1 1 A 54 54 SER C C 54 177.818 176.620 1.198 1
1 516 . 18 1 1 A 54 54 SER CA C 54 61.635 62.782 -1.147 1
1 517 . 18 1 1 A 54 54 SER CB C 54 62.947 62.815 0.132 1
1 518 . 18 1 1 A 54 54 SER N N 54 114.062 114.542 -0.480 1
1 519 . 18 1 1 A 55 55 MET H H 55 8.553 8.334 0.219 1
1 520 . 18 1 1 A 55 55 MET HA H 55 4.194 4.172 0.022 1
1 528 . 18 1 1 A 55 55 MET C C 55 179.156 178.738 0.418 1
1 529 . 18 1 1 A 55 55 MET CA C 55 59.190 58.611 0.579 1
1 530 . 18 1 1 A 55 55 MET CB C 55 33.551 33.012 0.539 1
1 533 . 18 1 1 A 55 55 MET N N 55 123.394 119.356 4.038 1
1 534 . 18 1 1 A 56 56 TRP H H 56 8.864 8.600 0.264 1
1 535 . 18 1 1 A 56 56 TRP HA H 56 3.899 3.777 0.122 1
1 544 . 18 1 1 A 56 56 TRP C C 56 178.213 177.879 0.334 1
1 545 . 18 1 1 A 56 56 TRP CA C 56 59.806 60.832 -1.026 1
1 546 . 18 1 1 A 56 56 TRP CB C 56 30.281 29.615 0.666 1
1 552 . 18 1 1 A 56 56 TRP N N 56 121.428 122.336 -0.908 1
1 554 . 18 1 1 A 57 57 ASP H H 57 8.061 8.555 -0.494 1
1 555 . 18 1 1 A 57 57 ASP HA H 57 4.253 4.542 -0.289 1
1 558 . 18 1 1 A 57 57 ASP C C 57 178.103 177.224 0.879 1
1 559 . 18 1 1 A 57 57 ASP CA C 57 57.186 56.513 0.673 1
1 560 . 18 1 1 A 57 57 ASP CB C 57 40.705 40.199 0.506 1
1 561 . 18 1 1 A 57 57 ASP N N 57 117.661 118.249 -0.588 1
1 562 . 18 1 1 A 58 58 GLY H H 58 7.481 7.945 -0.464 1
1 563 . 18 1 1 A 58 58 GLY HA2 H 58 4.202 4.036 0.166 1
1 564 . 18 1 1 A 58 58 GLY HA3 H 58 3.672 4.071 -0.399 1
1 565 . 18 1 1 A 58 58 GLY C C 58 174.062 173.892 0.170 1
1 566 . 18 1 1 A 58 58 GLY CA C 58 44.872 45.535 -0.663 1
1 567 . 18 1 1 A 58 58 GLY N N 58 103.794 105.896 -2.102 1
1 568 . 18 1 1 A 59 59 LEU H H 59 7.153 7.172 -0.019 1
1 569 . 18 1 1 A 59 59 LEU HA H 59 4.123 4.258 -0.135 1
1 579 . 18 1 1 A 59 59 LEU C C 59 177.880 177.207 0.673 1
1 580 . 18 1 1 A 59 59 LEU CA C 59 55.114 54.220 0.894 1
1 581 . 18 1 1 A 59 59 LEU CB C 59 43.149 43.505 -0.356 1
1 585 . 18 1 1 A 59 59 LEU N N 59 123.874 121.748 2.126 1
1 586 . 18 1 1 A 60 60 GLY H H 60 8.523 8.414 0.109 1
1 587 . 18 1 1 A 60 60 GLY HA2 H 60 4.091 4.013 0.078 1
1 588 . 18 1 1 A 60 60 GLY HA3 H 60 3.993 4.022 -0.029 1
1 589 . 18 1 1 A 60 60 GLY C C 60 174.634 174.682 -0.048 1
1 590 . 18 1 1 A 60 60 GLY CA C 60 44.995 45.178 -0.183 1
1 591 . 18 1 1 A 60 60 GLY N N 60 110.475 108.479 1.996 1
1 592 . 18 1 1 A 61 61 GLU H H 61 8.743 8.113 0.630 1
1 593 . 18 1 1 A 61 61 GLU HA H 61 3.873 3.764 0.109 1
1 598 . 18 1 1 A 61 61 GLU C C 61 178.841 176.650 2.191 1
1 599 . 18 1 1 A 61 61 GLU CA C 61 59.577 58.939 0.638 1
1 600 . 18 1 1 A 61 61 GLU CB C 61 29.299 28.165 1.134 1
1 602 . 18 1 1 A 61 61 GLU N N 61 122.609 114.911 7.698 1
1 603 . 18 1 1 A 62 62 GLU H H 62 9.063 8.808 0.255 1
1 604 . 18 1 1 A 62 62 GLU HA H 62 4.033 4.386 -0.353 1
1 609 . 18 1 1 A 62 62 GLU C C 62 179.086 177.589 1.497 1
1 610 . 18 1 1 A 62 62 GLU CA C 62 59.841 58.903 0.938 1
1 611 . 18 1 1 A 62 62 GLU CB C 62 28.660 29.465 -0.805 1
1 613 . 18 1 1 A 62 62 GLU N N 62 118.089 119.528 -1.439 1
1 614 . 18 1 1 A 63 63 GLN H H 63 7.563 7.790 -0.227 1
1 615 . 18 1 1 A 63 63 GLN HA H 63 4.282 4.113 0.169 1
1 622 . 18 1 1 A 63 63 GLN C C 63 179.406 178.124 1.282 1
1 623 . 18 1 1 A 63 63 GLN CA C 63 59.050 57.037 2.013 1
1 624 . 18 1 1 A 63 63 GLN CB C 63 29.089 28.797 0.292 1
1 626 . 18 1 1 A 63 63 GLN N N 63 118.216 118.002 0.214 1
1 628 . 18 1 1 A 64 64 LYS H H 64 8.193 8.216 -0.023 1
1 629 . 18 1 1 A 64 64 LYS HA H 64 3.933 3.842 0.091 1
1 638 . 18 1 1 A 64 64 LYS C C 64 179.858 179.158 0.700 1
1 639 . 18 1 1 A 64 64 LYS CA C 64 60.774 59.001 1.773 1
1 640 . 18 1 1 A 64 64 LYS CB C 64 33.100 32.138 0.962 1
1 644 . 18 1 1 A 64 64 LYS N N 64 119.928 120.873 -0.945 1
1 645 . 18 1 1 A 65 65 GLN H H 65 8.459 7.904 0.555 1
1 646 . 18 1 1 A 65 65 GLN HA H 65 4.056 4.132 -0.076 1
1 653 . 18 1 1 A 65 65 GLN C C 65 177.751 178.066 -0.315 1
1 654 . 18 1 1 A 65 65 GLN CA C 65 58.891 58.587 0.304 1
1 655 . 18 1 1 A 65 65 GLN CB C 65 28.167 28.430 -0.263 1
1 657 . 18 1 1 A 65 65 GLN N N 65 117.874 118.055 -0.181 1
1 659 . 18 1 1 A 66 66 VAL H H 66 7.408 8.117 -0.709 1
1 660 . 18 1 1 A 66 66 VAL HA H 66 3.653 3.697 -0.044 1
1 668 . 18 1 1 A 66 66 VAL C C 66 178.900 177.396 1.504 1
1 669 . 18 1 1 A 66 66 VAL CA C 66 66.860 65.403 1.457 1
1 670 . 18 1 1 A 66 66 VAL CB C 66 31.784 31.392 0.392 1
1 673 . 18 1 1 A 66 66 VAL N N 66 119.348 119.896 -0.548 1
1 674 . 18 1 1 A 67 67 TYR H H 67 7.229 7.894 -0.665 1
1 675 . 18 1 1 A 67 67 TYR HA H 67 4.151 4.448 -0.297 1
1 682 . 18 1 1 A 67 67 TYR C C 67 178.776 178.601 0.175 1
1 683 . 18 1 1 A 67 67 TYR CA C 67 63.307 61.016 2.291 1
1 684 . 18 1 1 A 67 67 TYR CB C 67 39.308 38.276 1.032 1
1 689 . 18 1 1 A 67 67 TYR N N 67 117.638 120.545 -2.907 1
1 690 . 18 1 1 A 68 68 LYS H H 68 8.554 8.447 0.107 1
1 691 . 18 1 1 A 68 68 LYS HA H 68 4.195 4.278 -0.083 1
1 698 . 18 1 1 A 68 68 LYS C C 68 179.468 179.542 -0.074 1
1 699 . 18 1 1 A 68 68 LYS CA C 68 60.703 59.104 1.599 1
1 700 . 18 1 1 A 68 68 LYS CB C 68 32.154 32.505 -0.351 1
1 704 . 18 1 1 A 68 68 LYS N N 68 121.795 120.561 1.234 1
1 705 . 18 1 1 A 69 69 LYS H H 69 8.883 8.034 0.849 1
1 706 . 18 1 1 A 69 69 LYS HA H 69 4.171 4.129 0.042 1
1 715 . 18 1 1 A 69 69 LYS C C 69 180.214 179.549 0.665 1
1 716 . 18 1 1 A 69 69 LYS CA C 69 59.824 59.835 -0.011 1
1 717 . 18 1 1 A 69 69 LYS CB C 69 32.072 32.273 -0.201 1
1 721 . 18 1 1 A 69 69 LYS N N 69 120.539 119.942 0.597 1
1 722 . 18 1 1 A 70 70 LYS H H 70 7.791 7.840 -0.049 1
1 723 . 18 1 1 A 70 70 LYS HA H 70 4.211 4.142 0.069 1
1 732 . 18 1 1 A 70 70 LYS C C 70 179.985 179.187 0.798 1
1 733 . 18 1 1 A 70 70 LYS CA C 70 60.017 59.055 0.962 1
1 734 . 18 1 1 A 70 70 LYS CB C 70 33.200 32.381 0.819 1
1 738 . 18 1 1 A 70 70 LYS N N 70 119.946 119.832 0.114 1
1 739 . 18 1 1 A 71 71 THR H H 71 8.002 7.776 0.226 1
1 740 . 18 1 1 A 71 71 THR HA H 71 4.301 3.800 0.501 1
1 745 . 18 1 1 A 71 71 THR C C 71 176.462 176.856 -0.394 1
1 746 . 18 1 1 A 71 71 THR CA C 71 66.402 66.944 -0.542 1
1 747 . 18 1 1 A 71 71 THR CB C 71 68.949 68.726 0.223 1
1 749 . 18 1 1 A 71 71 THR N N 71 116.183 117.643 -1.460 1
1 750 . 18 1 1 A 72 72 GLU H H 72 8.295 8.215 0.080 1
1 751 . 18 1 1 A 72 72 GLU HA H 72 4.143 4.062 0.081 1
1 756 . 18 1 1 A 72 72 GLU C C 72 179.498 178.609 0.889 1
1 757 . 18 1 1 A 72 72 GLU CA C 72 59.665 59.273 0.392 1
1 758 . 18 1 1 A 72 72 GLU CB C 72 29.400 29.013 0.387 1
1 760 . 18 1 1 A 72 72 GLU N N 72 123.438 119.232 4.206 1
1 761 . 18 1 1 A 73 73 ALA H H 73 8.063 7.675 0.388 1
1 762 . 18 1 1 A 73 73 ALA HA H 73 4.262 4.212 0.050 1
1 766 . 18 1 1 A 73 73 ALA C C 73 180.639 178.815 1.824 1
1 767 . 18 1 1 A 73 73 ALA CA C 73 55.268 54.578 0.690 1
1 768 . 18 1 1 A 73 73 ALA CB C 73 17.824 18.116 -0.292 1
1 769 . 18 1 1 A 73 73 ALA N N 73 122.231 122.201 0.030 1
1 770 . 18 1 1 A 74 74 ALA H H 74 8.093 8.085 0.008 1
1 771 . 18 1 1 A 74 74 ALA HA H 74 4.320 4.279 0.041 1
1 775 . 18 1 1 A 74 74 ALA C C 74 181.394 179.743 1.651 1
1 776 . 18 1 1 A 74 74 ALA CA C 74 54.904 53.729 1.175 1
1 777 . 18 1 1 A 74 74 ALA CB C 74 18.313 19.244 -0.931 1
1 778 . 18 1 1 A 74 74 ALA N N 74 121.882 119.620 2.262 1
1 779 . 18 1 1 A 75 75 LYS H H 75 8.661 8.186 0.475 1
1 780 . 18 1 1 A 75 75 LYS HA H 75 4.053 4.148 -0.095 1
1 786 . 18 1 1 A 75 75 LYS C C 75 178.096 178.522 -0.426 1
1 787 . 18 1 1 A 75 75 LYS CA C 75 60.510 59.469 1.041 1
1 788 . 18 1 1 A 75 75 LYS CB C 75 32.236 32.296 -0.060 1
1 792 . 18 1 1 A 75 75 LYS N N 75 121.652 118.186 3.466 1
1 793 . 18 1 1 A 76 76 LYS H H 76 7.855 7.929 -0.074 1
1 794 . 18 1 1 A 76 76 LYS HA H 76 4.110 3.963 0.147 1
1 799 . 18 1 1 A 76 76 LYS C C 76 179.822 179.143 0.679 1
1 800 . 18 1 1 A 76 76 LYS CA C 76 59.993 59.877 0.116 1
1 801 . 18 1 1 A 76 76 LYS CB C 76 32.401 32.252 0.149 1
1 805 . 18 1 1 A 76 76 LYS N N 76 119.219 118.539 0.680 1
1 806 . 18 1 1 A 77 77 GLU H H 77 7.880 8.254 -0.374 1
1 807 . 18 1 1 A 77 77 GLU HA H 77 4.233 4.107 0.126 1
1 812 . 18 1 1 A 77 77 GLU C C 77 178.358 178.189 0.169 1
1 813 . 18 1 1 A 77 77 GLU CA C 77 58.980 59.295 -0.315 1
1 814 . 18 1 1 A 77 77 GLU CB C 77 29.235 29.259 -0.024 1
1 816 . 18 1 1 A 77 77 GLU N N 77 119.640 118.368 1.272 1
1 817 . 18 1 1 A 78 78 TYR H H 78 8.391 8.044 0.347 1
1 818 . 18 1 1 A 78 78 TYR HA H 78 4.413 4.202 0.211 1
1 825 . 18 1 1 A 78 78 TYR C C 78 176.737 177.045 -0.308 1
1 826 . 18 1 1 A 78 78 TYR CA C 78 60.809 61.348 -0.539 1
1 827 . 18 1 1 A 78 78 TYR CB C 78 38.239 38.474 -0.235 1
1 832 . 18 1 1 A 78 78 TYR N N 78 121.464 122.074 -0.610 1
1 833 . 18 1 1 A 79 79 LEU H H 79 8.203 8.364 -0.161 1
1 834 . 18 1 1 A 79 79 LEU HA H 79 3.764 3.607 0.157 1
1 844 . 18 1 1 A 79 79 LEU C C 79 180.728 179.268 1.460 1
1 845 . 18 1 1 A 79 79 LEU CA C 79 58.170 58.098 0.072 1
1 846 . 18 1 1 A 79 79 LEU CB C 79 41.445 41.367 0.078 1
1 850 . 18 1 1 A 79 79 LEU N N 79 118.433 119.679 -1.246 1
1 851 . 18 1 1 A 80 80 LYS H H 80 7.523 7.977 -0.454 1
1 852 . 18 1 1 A 80 80 LYS HA H 80 4.134 3.915 0.219 1
1 861 . 18 1 1 A 80 80 LYS C C 80 179.804 179.797 0.007 1
1 862 . 18 1 1 A 80 80 LYS CA C 80 59.630 60.357 -0.727 1
1 863 . 18 1 1 A 80 80 LYS CB C 80 32.400 32.209 0.191 1
1 867 . 18 1 1 A 80 80 LYS N N 80 120.723 117.921 2.802 1
1 868 . 18 1 1 A 81 81 GLN H H 81 8.473 8.291 0.182 1
1 869 . 18 1 1 A 81 81 GLN HA H 81 4.144 4.015 0.129 1
1 876 . 18 1 1 A 81 81 GLN C C 81 179.906 178.367 1.539 1
1 877 . 18 1 1 A 81 81 GLN CA C 81 58.628 58.786 -0.158 1
1 878 . 18 1 1 A 81 81 GLN CB C 81 28.273 28.265 0.008 1
1 880 . 18 1 1 A 81 81 GLN N N 81 120.899 118.988 1.911 1
1 882 . 18 1 1 A 82 82 LEU H H 82 9.233 8.247 0.986 1
1 883 . 18 1 1 A 82 82 LEU HA H 82 3.963 4.093 -0.130 1
1 893 . 18 1 1 A 82 82 LEU C C 82 178.293 178.233 0.060 1
1 894 . 18 1 1 A 82 82 LEU CA C 82 57.959 57.911 0.048 1
1 895 . 18 1 1 A 82 82 LEU CB C 82 42.044 41.338 0.706 1
1 899 . 18 1 1 A 82 82 LEU N N 82 123.463 121.908 1.555 1
1 900 . 18 1 1 A 83 83 ALA H H 83 7.732 8.450 -0.718 1
1 901 . 18 1 1 A 83 83 ALA HA H 83 4.223 3.957 0.266 1
1 905 . 18 1 1 A 83 83 ALA C C 83 180.853 179.580 1.273 1
1 906 . 18 1 1 A 83 83 ALA CA C 83 54.944 55.348 -0.404 1
1 907 . 18 1 1 A 83 83 ALA CB C 83 17.765 18.450 -0.685 1
1 908 . 18 1 1 A 83 83 ALA N N 83 120.956 120.057 0.899 1
1 909 . 18 1 1 A 84 84 ALA H H 84 7.716 7.400 0.316 1
1 910 . 18 1 1 A 84 84 ALA HA H 84 4.135 4.135 0.000 1
1 914 . 18 1 1 A 84 84 ALA C C 84 180.256 179.119 1.137 1
1 915 . 18 1 1 A 84 84 ALA CA C 84 55.234 54.954 0.280 1
1 916 . 18 1 1 A 84 84 ALA CB C 84 17.806 18.552 -0.746 1
1 917 . 18 1 1 A 84 84 ALA N N 84 121.082 120.237 0.845 1
1 918 . 18 1 1 A 85 85 TYR H H 85 8.453 8.516 -0.063 1
1 919 . 18 1 1 A 85 85 TYR HA H 85 4.310 4.042 0.268 1
1 926 . 18 1 1 A 85 85 TYR C C 85 178.538 177.644 0.894 1
1 927 . 18 1 1 A 85 85 TYR CA C 85 60.862 61.865 -1.003 1
1 928 . 18 1 1 A 85 85 TYR CB C 85 38.444 38.895 -0.451 1
1 933 . 18 1 1 A 85 85 TYR N N 85 121.359 120.180 1.179 1
1 934 . 18 1 1 A 86 86 ARG H H 86 8.734 7.880 0.854 1
1 935 . 18 1 1 A 86 86 ARG HA H 86 3.713 3.719 -0.006 1
1 942 . 18 1 1 A 86 86 ARG C C 86 178.962 178.618 0.344 1
1 943 . 18 1 1 A 86 86 ARG CA C 86 59.454 59.494 -0.040 1
1 944 . 18 1 1 A 86 86 ARG CB C 86 29.605 30.181 -0.576 1
1 947 . 18 1 1 A 86 86 ARG N N 86 119.740 118.943 0.797 1
1 948 . 18 1 1 A 87 87 ALA H H 87 7.853 8.112 -0.259 1
1 949 . 18 1 1 A 87 87 ALA HA H 87 4.195 4.061 0.134 1
1 953 . 18 1 1 A 87 87 ALA C C 87 179.605 179.266 0.339 1
1 954 . 18 1 1 A 87 87 ALA CA C 87 54.353 54.864 -0.511 1
1 955 . 18 1 1 A 87 87 ALA CB C 87 17.971 18.385 -0.414 1
1 956 . 18 1 1 A 87 87 ALA N N 87 120.667 122.123 -1.456 1
1 957 . 18 1 1 A 88 88 SER H H 88 7.763 7.405 0.358 1
1 958 . 18 1 1 A 88 88 SER HA H 88 4.347 4.314 0.033 1
1 961 . 18 1 1 A 88 88 SER C C 88 175.219 176.398 -1.179 1
1 962 . 18 1 1 A 88 88 SER CA C 88 60.158 61.615 -1.457 1
1 963 . 18 1 1 A 88 88 SER CB C 88 63.440 63.423 0.017 1
1 964 . 18 1 1 A 88 88 SER N N 88 114.332 113.888 0.444 1
1 965 . 18 1 1 A 89 89 LEU H H 89 7.344 7.808 -0.464 1
1 966 . 18 1 1 A 89 89 LEU HA H 89 4.163 4.126 0.037 1
1 976 . 18 1 1 A 89 89 LEU C C 89 178.335 177.084 1.251 1
1 977 . 18 1 1 A 89 89 LEU CA C 89 56.059 57.071 -1.012 1
1 978 . 18 1 1 A 89 89 LEU CB C 89 42.062 42.539 -0.477 1
1 982 . 18 1 1 A 89 89 LEU N N 89 121.862 119.282 2.580 1
1 983 . 18 1 1 A 90 90 VAL H H 90 7.533 7.746 -0.213 1
1 984 . 18 1 1 A 90 90 VAL HA H 90 4.063 3.969 0.094 1
1 992 . 18 1 1 A 90 90 VAL C C 90 176.743 175.003 1.740 1
1 993 . 18 1 1 A 90 90 VAL CA C 90 63.183 61.907 1.276 1
1 994 . 18 1 1 A 90 90 VAL CB C 90 32.318 32.667 -0.349 1
1 997 . 18 1 1 A 90 90 VAL N N 90 117.748 118.517 -0.769 1
1 998 . 18 1 1 A 91 91 SER H H 91 8.059 8.818 -0.759 1
1 999 . 18 1 1 A 91 91 SER HA H 91 4.415 4.598 -0.183 1
1 1002 . 18 1 1 A 91 91 SER C C 91 174.854 172.949 1.905 1
1 1003 . 18 1 1 A 91 91 SER CA C 91 58.861 59.320 -0.459 1
1 1004 . 18 1 1 A 91 91 SER CB C 91 63.810 65.424 -1.614 1
1 1005 . 18 1 1 A 91 91 SER N N 91 117.663 119.159 -1.496 1
1 1006 . 18 1 1 A 92 92 LYS H H 92 8.158 7.753 0.405 1
1 1007 . 18 1 1 A 92 92 LYS HA H 92 4.329 4.836 -0.507 1
1 1010 . 18 1 1 A 92 92 LYS C C 92 176.528 174.222 2.306 1
1 1011 . 18 1 1 A 92 92 LYS CA C 92 56.551 55.076 1.475 1
1 1012 . 18 1 1 A 92 92 LYS CB C 92 32.771 36.057 -3.286 1
1 1016 . 18 1 1 A 92 92 LYS N N 92 122.827 119.835 2.992 1
1 1017 . 18 1 1 A 93 93 SER H H 93 8.186 8.820 -0.634 1
1 1018 . 18 1 1 A 93 93 SER HA H 93 4.444 5.357 -0.913 1
1 1021 . 18 1 1 A 93 93 SER C C 93 174.271 172.818 1.453 1
1 1022 . 18 1 1 A 93 93 SER CA C 93 58.504 56.695 1.809 1
1 1023 . 18 1 1 A 93 93 SER CB C 93 63.933 65.163 -1.230 1
1 1024 . 18 1 1 A 93 93 SER N N 93 116.068 118.358 -2.290 1
1 1025 . 18 1 1 A 94 94 TYR H H 94 8.146 8.913 -0.767 1
1 1026 . 18 1 1 A 94 94 TYR HA H 94 4.658 4.938 -0.280 1
1 1033 . 18 1 1 A 94 94 TYR C C 94 176.011 174.324 1.687 1
1 1034 . 18 1 1 A 94 94 TYR CA C 94 58.135 56.872 1.263 1
1 1035 . 18 1 1 A 94 94 TYR CB C 94 38.855 42.774 -3.919 1
1 1040 . 18 1 1 A 94 94 TYR N N 94 122.150 124.616 -2.466 1
1 1041 . 18 1 1 A 95 95 THR H H 95 8.024 8.443 -0.419 1
1 1042 . 18 1 1 A 95 95 THR HA H 95 4.333 4.286 0.047 1
1 1047 . 18 1 1 A 95 95 THR C C 95 174.054 173.575 0.479 1
1 1048 . 18 1 1 A 95 95 THR CA C 95 61.740 62.794 -1.054 1
1 1049 . 18 1 1 A 95 95 THR CB C 95 69.977 69.081 0.896 1
1 1051 . 18 1 1 A 95 95 THR N N 95 115.298 116.811 -1.513 1
1 1052 . 18 1 1 A 96 96 ASP H H 96 8.288 8.786 -0.498 1
1 1053 . 18 1 1 A 96 96 ASP HA H 96 4.663 4.856 -0.193 1
1 1056 . 18 1 1 A 96 96 ASP C C 96 176.252 175.884 0.368 1
1 1057 . 18 1 1 A 96 96 ASP CA C 96 54.494 54.489 0.005 1
1 1058 . 18 1 1 A 96 96 ASP CB C 96 41.404 42.587 -1.183 1
1 1059 . 18 1 1 A 96 96 ASP N N 96 122.969 124.742 -1.773 1
1 1060 . 18 1 1 A 97 97 SER H H 97 8.272 8.097 0.175 1
1 1061 . 18 1 1 A 97 97 SER HA H 97 4.500 4.478 0.022 1
1 1063 . 18 1 1 A 97 97 SER C C 97 174.845 173.189 1.656 1
1 1064 . 18 1 1 A 97 97 SER CA C 97 58.522 60.084 -1.562 1
1 1065 . 18 1 1 A 97 97 SER CB C 97 63.656 62.466 1.190 1
1 1066 . 18 1 1 A 97 97 SER N N 97 116.137 113.569 2.568 1
1 1067 . 18 1 1 A 98 98 GLY H H 98 8.289 8.743 -0.454 1
1 1068 . 18 1 1 A 98 98 GLY HA2 H 98 4.123 4.236 -0.113 1
1 1069 . 18 1 1 A 98 98 GLY HA3 H 98 4.123 4.237 -0.114 1
1 1070 . 18 1 1 A 98 98 GLY C C 98 171.920 172.458 -0.538 1
1 1071 . 18 1 1 A 98 98 GLY CA C 98 44.748 45.403 -0.655 1
1 1072 . 18 1 1 A 98 98 GLY N N 98 110.751 109.213 1.538 1
1 1073 . 18 1 1 A 99 99 PRO HA H 99 4.490 4.626 -0.136 1
1 1080 . 18 1 1 A 99 99 PRO CA C 99 63.373 62.734 0.639 1
1 1081 . 18 1 1 A 99 99 PRO CB C 99 32.247 32.601 -0.354 1
1 1 . 19 1 1 A 12 12 LYS HA H 12 4.317 4.656 -0.339 1
1 6 . 19 1 1 A 12 12 LYS C C 12 176.329 174.604 1.725 1
1 7 . 19 1 1 A 12 12 LYS CA C 12 56.223 56.397 -0.174 1
1 8 . 19 1 1 A 12 12 LYS CB C 12 33.117 34.171 -1.054 1
1 12 . 19 1 1 A 13 13 LYS H H 13 8.394 8.556 -0.162 1
1 13 . 19 1 1 A 13 13 LYS HA H 13 4.273 4.525 -0.252 1
1 18 . 19 1 1 A 13 13 LYS C C 13 175.990 175.653 0.337 1
1 19 . 19 1 1 A 13 13 LYS CA C 13 56.222 55.314 0.908 1
1 20 . 19 1 1 A 13 13 LYS CB C 13 33.223 32.786 0.437 1
1 24 . 19 1 1 A 13 13 LYS N N 13 123.900 120.884 3.016 1
1 25 . 19 1 1 A 14 14 ASP H H 14 8.625 8.238 0.387 1
1 26 . 19 1 1 A 14 14 ASP HA H 14 4.902 4.258 0.644 1
1 29 . 19 1 1 A 14 14 ASP CA C 14 51.958 54.699 -2.741 1
1 30 . 19 1 1 A 14 14 ASP CB C 14 41.422 39.229 2.193 1
1 31 . 19 1 1 A 14 14 ASP N N 14 124.861 115.314 9.547 1
1 32 . 19 1 1 A 15 15 PRO HA H 15 4.442 4.358 0.084 1
1 39 . 19 1 1 A 15 15 PRO C C 15 176.634 178.326 -1.692 1
1 40 . 19 1 1 A 15 15 PRO CA C 15 63.606 64.562 -0.956 1
1 41 . 19 1 1 A 15 15 PRO CB C 15 32.323 32.134 0.189 1
1 44 . 19 1 1 A 16 16 ASN H H 16 8.414 8.139 0.275 1
1 45 . 19 1 1 A 16 16 ASN HA H 16 4.683 4.638 0.045 1
1 50 . 19 1 1 A 16 16 ASN C C 16 174.365 175.257 -0.892 1
1 51 . 19 1 1 A 16 16 ASN CA C 16 52.946 54.982 -2.036 1
1 52 . 19 1 1 A 16 16 ASN CB C 16 39.266 38.982 0.284 1
1 53 . 19 1 1 A 16 16 ASN N N 16 116.873 113.595 3.278 1
1 55 . 19 1 1 A 17 17 GLU H H 17 7.712 7.876 -0.164 1
1 56 . 19 1 1 A 17 17 GLU HA H 17 3.233 3.768 -0.535 1
1 61 . 19 1 1 A 17 17 GLU C C 17 174.415 175.058 -0.643 1
1 62 . 19 1 1 A 17 17 GLU CA C 17 54.423 54.757 -0.334 1
1 63 . 19 1 1 A 17 17 GLU CB C 17 29.911 30.257 -0.346 1
1 65 . 19 1 1 A 17 17 GLU N N 17 122.673 119.615 3.058 1
1 66 . 19 1 1 A 18 18 PRO HA H 18 4.384 4.584 -0.200 1
1 73 . 19 1 1 A 18 18 PRO CA C 18 62.896 62.436 0.460 1
1 74 . 19 1 1 A 18 18 PRO CB C 18 31.963 32.943 -0.980 1
1 77 . 19 1 1 A 19 19 GLN H H 19 8.654 8.521 0.133 1
1 78 . 19 1 1 A 19 19 GLN HA H 19 4.293 4.994 -0.701 1
1 85 . 19 1 1 A 19 19 GLN C C 19 175.384 173.873 1.511 1
1 86 . 19 1 1 A 19 19 GLN CA C 19 55.057 54.749 0.308 1
1 87 . 19 1 1 A 19 19 GLN CB C 19 29.793 30.942 -1.149 1
1 89 . 19 1 1 A 19 19 GLN N N 19 122.106 118.296 3.810 1
1 91 . 19 1 1 A 20 20 LYS H H 20 8.383 8.303 0.080 1
1 92 . 19 1 1 A 20 20 LYS HA H 20 3.393 2.952 0.441 1
1 101 . 19 1 1 A 20 20 LYS C C 20 174.706 175.217 -0.511 1
1 102 . 19 1 1 A 20 20 LYS CA C 20 54.951 53.535 1.416 1
1 103 . 19 1 1 A 20 20 LYS CB C 20 31.802 32.594 -0.792 1
1 107 . 19 1 1 A 20 20 LYS N N 20 124.861 125.404 -0.543 1
1 108 . 19 1 1 A 21 21 PRO HA H 21 4.500 4.553 -0.053 1
1 115 . 19 1 1 A 21 21 PRO C C 21 176.741 175.855 0.886 1
1 116 . 19 1 1 A 21 21 PRO CA C 21 62.396 62.256 0.140 1
1 117 . 19 1 1 A 21 21 PRO CB C 21 32.392 32.806 -0.414 1
1 120 . 19 1 1 A 22 22 VAL H H 22 7.850 8.218 -0.368 1
1 121 . 19 1 1 A 22 22 VAL HA H 22 4.303 4.740 -0.437 1
1 129 . 19 1 1 A 22 22 VAL C C 22 175.615 174.814 0.801 1
1 130 . 19 1 1 A 22 22 VAL CA C 22 60.967 59.192 1.775 1
1 131 . 19 1 1 A 22 22 VAL CB C 22 32.342 35.541 -3.199 1
1 134 . 19 1 1 A 22 22 VAL N N 22 115.924 114.648 1.276 1
1 135 . 19 1 1 A 23 23 SER H H 23 8.125 8.424 -0.299 1
1 136 . 19 1 1 A 23 23 SER HA H 23 4.433 4.421 0.012 1
1 139 . 19 1 1 A 23 23 SER C C 23 173.516 175.530 -2.014 1
1 140 . 19 1 1 A 23 23 SER CA C 23 57.590 59.438 -1.848 1
1 141 . 19 1 1 A 23 23 SER CB C 23 65.578 64.062 1.516 1
1 142 . 19 1 1 A 23 23 SER N N 23 116.922 118.791 -1.869 1
1 143 . 19 1 1 A 24 24 ALA H H 24 8.707 8.959 -0.252 1
1 144 . 19 1 1 A 24 24 ALA HA H 24 4.046 4.129 -0.083 1
1 148 . 19 1 1 A 24 24 ALA C C 24 178.727 179.109 -0.382 1
1 149 . 19 1 1 A 24 24 ALA CA C 24 55.971 55.452 0.519 1
1 150 . 19 1 1 A 24 24 ALA CB C 24 18.505 18.651 -0.146 1
1 151 . 19 1 1 A 24 24 ALA N N 24 123.025 126.656 -3.631 1
1 152 . 19 1 1 A 25 25 TYR H H 25 8.119 8.101 0.018 1
1 153 . 19 1 1 A 25 25 TYR HA H 25 2.678 2.251 0.427 1
1 160 . 19 1 1 A 25 25 TYR C C 25 176.253 177.486 -1.233 1
1 161 . 19 1 1 A 25 25 TYR CA C 25 60.281 60.572 -0.291 1
1 162 . 19 1 1 A 25 25 TYR CB C 25 37.951 38.147 -0.196 1
1 167 . 19 1 1 A 25 25 TYR N N 25 115.954 118.945 -2.991 1
1 168 . 19 1 1 A 26 26 ALA H H 26 7.742 7.727 0.015 1
1 169 . 19 1 1 A 26 26 ALA HA H 26 3.758 3.730 0.028 1
1 173 . 19 1 1 A 26 26 ALA C C 26 181.489 179.486 2.003 1
1 174 . 19 1 1 A 26 26 ALA CA C 26 54.859 54.575 0.284 1
1 175 . 19 1 1 A 26 26 ALA CB C 26 18.029 18.353 -0.324 1
1 176 . 19 1 1 A 26 26 ALA N N 26 121.384 121.197 0.187 1
1 177 . 19 1 1 A 27 27 LEU H H 27 7.991 8.225 -0.234 1
1 178 . 19 1 1 A 27 27 LEU HA H 27 4.023 4.019 0.004 1
1 188 . 19 1 1 A 27 27 LEU C C 27 178.625 177.547 1.078 1
1 189 . 19 1 1 A 27 27 LEU CA C 27 57.876 57.679 0.197 1
1 190 . 19 1 1 A 27 27 LEU CB C 27 42.103 41.697 0.406 1
1 194 . 19 1 1 A 27 27 LEU N N 27 120.626 119.188 1.438 1
1 195 . 19 1 1 A 28 28 PHE H H 28 7.706 7.351 0.355 1
1 196 . 19 1 1 A 28 28 PHE HA H 28 3.653 4.126 -0.473 1
1 204 . 19 1 1 A 28 28 PHE C C 28 178.640 177.331 1.309 1
1 205 . 19 1 1 A 28 28 PHE CA C 28 61.653 59.488 2.165 1
1 206 . 19 1 1 A 28 28 PHE CB C 28 39.060 39.602 -0.542 1
1 212 . 19 1 1 A 28 28 PHE N N 28 122.656 119.676 2.980 1
1 213 . 19 1 1 A 29 29 PHE H H 29 9.246 8.191 1.055 1
1 214 . 19 1 1 A 29 29 PHE HA H 29 3.483 3.825 -0.342 1
1 222 . 19 1 1 A 29 29 PHE C C 29 177.478 177.442 0.036 1
1 223 . 19 1 1 A 29 29 PHE CA C 29 61.126 60.444 0.682 1
1 224 . 19 1 1 A 29 29 PHE CB C 29 38.837 38.993 -0.156 1
1 230 . 19 1 1 A 29 29 PHE N N 29 123.986 119.364 4.622 1
1 231 . 19 1 1 A 30 30 ARG H H 30 8.044 8.023 0.021 1
1 232 . 19 1 1 A 30 30 ARG HA H 30 4.046 4.187 -0.141 1
1 239 . 19 1 1 A 30 30 ARG C C 30 179.156 177.545 1.611 1
1 240 . 19 1 1 A 30 30 ARG CA C 30 59.542 58.097 1.445 1
1 241 . 19 1 1 A 30 30 ARG CB C 30 30.053 29.904 0.149 1
1 244 . 19 1 1 A 30 30 ARG N N 30 119.141 118.181 0.960 1
1 245 . 19 1 1 A 31 31 ASP H H 31 7.712 7.941 -0.229 1
1 246 . 19 1 1 A 31 31 ASP HA H 31 4.523 4.503 0.020 1
1 249 . 19 1 1 A 31 31 ASP C C 31 177.850 177.420 0.430 1
1 250 . 19 1 1 A 31 31 ASP CA C 31 56.516 56.285 0.231 1
1 251 . 19 1 1 A 31 31 ASP CB C 31 40.664 41.021 -0.357 1
1 252 . 19 1 1 A 31 31 ASP N N 31 118.527 119.977 -1.450 1
1 253 . 19 1 1 A 32 32 THR H H 32 7.704 6.990 0.714 1
1 254 . 19 1 1 A 32 32 THR HA H 32 3.953 3.976 -0.023 1
1 259 . 19 1 1 A 32 32 THR C C 32 175.637 175.723 -0.086 1
1 260 . 19 1 1 A 32 32 THR CA C 32 65.030 65.098 -0.068 1
1 261 . 19 1 1 A 32 32 THR CB C 32 69.195 68.733 0.462 1
1 263 . 19 1 1 A 32 32 THR N N 32 115.935 114.367 1.568 1
1 264 . 19 1 1 A 33 33 GLN H H 33 8.361 7.704 0.657 1
1 265 . 19 1 1 A 33 33 GLN HA H 33 3.373 3.626 -0.253 1
1 272 . 19 1 1 A 33 33 GLN C C 33 176.526 177.763 -1.237 1
1 273 . 19 1 1 A 33 33 GLN CA C 33 60.000 58.878 1.122 1
1 274 . 19 1 1 A 33 33 GLN CB C 33 26.827 28.159 -1.332 1
1 276 . 19 1 1 A 33 33 GLN N N 33 120.539 119.524 1.015 1
1 278 . 19 1 1 A 34 34 ALA H H 34 8.053 8.012 0.041 1
1 279 . 19 1 1 A 34 34 ALA HA H 34 3.964 3.944 0.020 1
1 283 . 19 1 1 A 34 34 ALA C C 34 180.762 179.942 0.820 1
1 284 . 19 1 1 A 34 34 ALA CA C 34 55.338 55.076 0.262 1
1 285 . 19 1 1 A 34 34 ALA CB C 34 17.724 18.551 -0.827 1
1 286 . 19 1 1 A 34 34 ALA N N 34 120.505 120.760 -0.255 1
1 287 . 19 1 1 A 35 35 ALA H H 35 7.763 8.087 -0.324 1
1 288 . 19 1 1 A 35 35 ALA HA H 35 4.135 4.084 0.051 1
1 292 . 19 1 1 A 35 35 ALA C C 35 180.801 180.267 0.534 1
1 293 . 19 1 1 A 35 35 ALA CA C 35 54.635 55.021 -0.386 1
1 294 . 19 1 1 A 35 35 ALA CB C 35 17.888 18.167 -0.279 1
1 295 . 19 1 1 A 35 35 ALA N N 35 122.109 120.023 2.086 1
1 296 . 19 1 1 A 36 36 ILE H H 36 7.673 7.744 -0.071 1
1 297 . 19 1 1 A 36 36 ILE HA H 36 3.753 3.666 0.087 1
1 307 . 19 1 1 A 36 36 ILE C C 36 179.213 177.821 1.392 1
1 308 . 19 1 1 A 36 36 ILE CA C 36 62.955 64.814 -1.859 1
1 309 . 19 1 1 A 36 36 ILE CB C 36 36.388 37.634 -1.246 1
1 313 . 19 1 1 A 36 36 ILE N N 36 118.252 118.763 -0.511 1
1 314 . 19 1 1 A 37 37 LYS H H 37 8.444 8.602 -0.158 1
1 315 . 19 1 1 A 37 37 LYS HA H 37 3.982 3.947 0.035 1
1 324 . 19 1 1 A 37 37 LYS C C 37 178.872 179.328 -0.456 1
1 325 . 19 1 1 A 37 37 LYS CA C 37 58.715 59.939 -1.224 1
1 326 . 19 1 1 A 37 37 LYS CB C 37 31.802 31.949 -0.147 1
1 330 . 19 1 1 A 37 37 LYS N N 37 121.415 119.916 1.499 1
1 331 . 19 1 1 A 38 38 GLY H H 38 7.873 8.489 -0.616 1
1 332 . 19 1 1 A 38 38 GLY HA2 H 38 3.849 3.750 0.099 1
1 333 . 19 1 1 A 38 38 GLY HA3 H 38 3.849 3.752 0.097 1
1 334 . 19 1 1 A 38 38 GLY C C 38 175.341 176.126 -0.785 1
1 335 . 19 1 1 A 38 38 GLY CA C 38 46.490 47.324 -0.834 1
1 336 . 19 1 1 A 38 38 GLY N N 38 104.723 107.362 -2.639 1
1 337 . 19 1 1 A 39 39 GLN H H 39 7.288 7.549 -0.261 1
1 338 . 19 1 1 A 39 39 GLN HA H 39 4.313 4.230 0.083 1
1 345 . 19 1 1 A 39 39 GLN C C 39 175.814 176.045 -0.231 1
1 346 . 19 1 1 A 39 39 GLN CA C 39 56.482 57.165 -0.683 1
1 347 . 19 1 1 A 39 39 GLN CB C 39 30.074 29.525 0.549 1
1 349 . 19 1 1 A 39 39 GLN N N 39 117.295 119.309 -2.014 1
1 351 . 19 1 1 A 40 40 ASN H H 40 7.780 7.766 0.014 1
1 352 . 19 1 1 A 40 40 ASN HA H 40 5.159 5.184 -0.025 1
1 357 . 19 1 1 A 40 40 ASN C C 40 172.428 173.449 -1.021 1
1 358 . 19 1 1 A 40 40 ASN CA C 40 50.877 50.287 0.590 1
1 359 . 19 1 1 A 40 40 ASN CB C 40 39.595 38.611 0.984 1
1 360 . 19 1 1 A 40 40 ASN N N 40 115.989 117.268 -1.279 1
1 362 . 19 1 1 A 41 41 PRO HA H 41 4.523 4.267 0.256 1
1 369 . 19 1 1 A 41 41 PRO C C 41 177.550 177.896 -0.346 1
1 370 . 19 1 1 A 41 41 PRO CA C 41 64.837 64.685 0.152 1
1 371 . 19 1 1 A 41 41 PRO CB C 41 32.073 31.989 0.084 1
1 374 . 19 1 1 A 42 42 ASN H H 42 8.363 8.889 -0.526 1
1 375 . 19 1 1 A 42 42 ASN HA H 42 4.853 4.498 0.355 1
1 380 . 19 1 1 A 42 42 ASN C C 42 175.387 176.382 -0.995 1
1 381 . 19 1 1 A 42 42 ASN CA C 42 52.753 55.319 -2.566 1
1 382 . 19 1 1 A 42 42 ASN CB C 42 38.879 38.058 0.821 1
1 383 . 19 1 1 A 42 42 ASN N N 42 114.677 116.472 -1.795 1
1 385 . 19 1 1 A 43 43 ALA H H 43 7.533 7.172 0.361 1
1 386 . 19 1 1 A 43 43 ALA HA H 43 4.443 4.321 0.122 1
1 390 . 19 1 1 A 43 43 ALA C C 43 178.490 177.330 1.160 1
1 391 . 19 1 1 A 43 43 ALA CA C 43 52.647 52.531 0.116 1
1 392 . 19 1 1 A 43 43 ALA CB C 43 19.314 19.353 -0.039 1
1 393 . 19 1 1 A 43 43 ALA N N 43 124.307 122.048 2.259 1
1 394 . 19 1 1 A 44 44 THR H H 44 8.698 8.609 0.089 1
1 395 . 19 1 1 A 44 44 THR HA H 44 4.482 4.682 -0.200 1
1 400 . 19 1 1 A 44 44 THR C C 44 175.408 176.269 -0.861 1
1 401 . 19 1 1 A 44 44 THR CA C 44 60.791 61.033 -0.242 1
1 402 . 19 1 1 A 44 44 THR CB C 44 71.516 70.915 0.601 1
1 404 . 19 1 1 A 44 44 THR N N 44 114.309 114.930 -0.621 1
1 405 . 19 1 1 A 45 45 PHE HA H 45 4.303 4.166 0.137 1
1 410 . 19 1 1 A 45 45 PHE CA C 45 61.982 60.552 1.430 1
1 411 . 19 1 1 A 45 45 PHE CB C 45 38.942 38.511 0.431 1
1 414 . 19 1 1 A 46 46 GLY HA2 H 46 3.962 3.719 0.243 1
1 415 . 19 1 1 A 46 46 GLY HA3 H 46 3.745 3.750 -0.005 1
1 416 . 19 1 1 A 46 46 GLY C C 46 176.621 176.151 0.470 1
1 417 . 19 1 1 A 46 46 GLY CA C 46 46.930 47.322 -0.392 1
1 418 . 19 1 1 A 47 47 GLU H H 47 7.692 8.407 -0.715 1
1 419 . 19 1 1 A 47 47 GLU HA H 47 4.053 4.123 -0.070 1
1 424 . 19 1 1 A 47 47 GLU C C 47 179.472 179.168 0.304 1
1 425 . 19 1 1 A 47 47 GLU CA C 47 59.296 59.313 -0.017 1
1 426 . 19 1 1 A 47 47 GLU CB C 47 29.769 29.521 0.248 1
1 428 . 19 1 1 A 47 47 GLU N N 47 123.040 121.727 1.313 1
1 429 . 19 1 1 A 48 48 VAL H H 48 8.504 7.737 0.767 1
1 430 . 19 1 1 A 48 48 VAL HA H 48 3.413 3.645 -0.232 1
1 438 . 19 1 1 A 48 48 VAL C C 48 177.640 178.163 -0.523 1
1 439 . 19 1 1 A 48 48 VAL CA C 48 67.159 66.152 1.007 1
1 440 . 19 1 1 A 48 48 VAL CB C 48 31.820 31.680 0.140 1
1 443 . 19 1 1 A 48 48 VAL N N 48 120.194 120.722 -0.528 1
1 444 . 19 1 1 A 49 49 SER H H 49 8.442 8.197 0.245 1
1 445 . 19 1 1 A 49 49 SER HA H 49 4.093 4.378 -0.285 1
1 448 . 19 1 1 A 49 49 SER C C 49 176.016 176.622 -0.606 1
1 449 . 19 1 1 A 49 49 SER CA C 49 62.500 61.447 1.053 1
1 450 . 19 1 1 A 49 49 SER CB C 49 62.653 63.342 -0.689 1
1 451 . 19 1 1 A 49 49 SER N N 49 113.484 114.488 -1.004 1
1 452 . 19 1 1 A 50 50 LYS H H 50 7.474 8.316 -0.842 1
1 453 . 19 1 1 A 50 50 LYS HA H 50 4.132 4.089 0.043 1
1 462 . 19 1 1 A 50 50 LYS C C 50 179.463 178.889 0.574 1
1 463 . 19 1 1 A 50 50 LYS CA C 50 59.525 59.080 0.445 1
1 464 . 19 1 1 A 50 50 LYS CB C 50 32.606 32.256 0.350 1
1 468 . 19 1 1 A 50 50 LYS N N 50 120.865 121.404 -0.539 1
1 469 . 19 1 1 A 51 51 ILE H H 51 7.853 7.647 0.206 1
1 470 . 19 1 1 A 51 51 ILE HA H 51 3.793 3.858 -0.065 1
1 480 . 19 1 1 A 51 51 ILE C C 51 179.105 178.146 0.959 1
1 481 . 19 1 1 A 51 51 ILE CA C 51 65.488 64.566 0.922 1
1 482 . 19 1 1 A 51 51 ILE CB C 51 38.603 38.060 0.543 1
1 486 . 19 1 1 A 51 51 ILE N N 51 121.720 120.097 1.623 1
1 487 . 19 1 1 A 52 52 VAL H H 52 8.703 8.014 0.689 1
1 488 . 19 1 1 A 52 52 VAL HA H 52 3.659 3.659 0.000 1
1 496 . 19 1 1 A 52 52 VAL C C 52 178.262 178.467 -0.205 1
1 497 . 19 1 1 A 52 52 VAL CA C 52 67.388 66.721 0.667 1
1 498 . 19 1 1 A 52 52 VAL CB C 52 31.185 31.454 -0.269 1
1 501 . 19 1 1 A 52 52 VAL N N 52 121.006 120.027 0.979 1
1 502 . 19 1 1 A 53 53 ALA H H 53 8.343 8.506 -0.163 1
1 503 . 19 1 1 A 53 53 ALA HA H 53 4.412 4.283 0.129 1
1 507 . 19 1 1 A 53 53 ALA C C 53 180.884 180.078 0.806 1
1 508 . 19 1 1 A 53 53 ALA CA C 53 56.271 55.285 0.986 1
1 509 . 19 1 1 A 53 53 ALA CB C 53 17.888 18.145 -0.257 1
1 510 . 19 1 1 A 53 53 ALA N N 53 122.645 122.494 0.151 1
1 511 . 19 1 1 A 54 54 SER H H 54 7.905 7.835 0.070 1
1 512 . 19 1 1 A 54 54 SER HA H 54 4.415 4.483 -0.068 1
1 515 . 19 1 1 A 54 54 SER C C 54 177.818 176.778 1.040 1
1 516 . 19 1 1 A 54 54 SER CA C 54 61.635 61.336 0.299 1
1 517 . 19 1 1 A 54 54 SER CB C 54 62.947 63.442 -0.495 1
1 518 . 19 1 1 A 54 54 SER N N 54 114.062 114.975 -0.913 1
1 519 . 19 1 1 A 55 55 MET H H 55 8.553 8.396 0.157 1
1 520 . 19 1 1 A 55 55 MET HA H 55 4.194 4.289 -0.095 1
1 528 . 19 1 1 A 55 55 MET C C 55 179.156 178.501 0.655 1
1 529 . 19 1 1 A 55 55 MET CA C 55 59.190 58.851 0.339 1
1 530 . 19 1 1 A 55 55 MET CB C 55 33.551 33.999 -0.448 1
1 533 . 19 1 1 A 55 55 MET N N 55 123.394 119.693 3.701 1
1 534 . 19 1 1 A 56 56 TRP H H 56 8.864 8.935 -0.071 1
1 535 . 19 1 1 A 56 56 TRP HA H 56 3.899 3.837 0.062 1
1 544 . 19 1 1 A 56 56 TRP C C 56 178.213 178.203 0.010 1
1 545 . 19 1 1 A 56 56 TRP CA C 56 59.806 61.043 -1.237 1
1 546 . 19 1 1 A 56 56 TRP CB C 56 30.281 29.642 0.639 1
1 552 . 19 1 1 A 56 56 TRP N N 56 121.428 122.758 -1.330 1
1 554 . 19 1 1 A 57 57 ASP H H 57 8.061 8.274 -0.213 1
1 555 . 19 1 1 A 57 57 ASP HA H 57 4.253 4.394 -0.141 1
1 558 . 19 1 1 A 57 57 ASP C C 57 178.103 177.472 0.631 1
1 559 . 19 1 1 A 57 57 ASP CA C 57 57.186 56.667 0.519 1
1 560 . 19 1 1 A 57 57 ASP CB C 57 40.705 40.382 0.323 1
1 561 . 19 1 1 A 57 57 ASP N N 57 117.661 118.805 -1.144 1
1 562 . 19 1 1 A 58 58 GLY H H 58 7.481 7.836 -0.355 1
1 563 . 19 1 1 A 58 58 GLY HA2 H 58 4.202 3.950 0.252 1
1 564 . 19 1 1 A 58 58 GLY HA3 H 58 3.672 3.982 -0.310 1
1 565 . 19 1 1 A 58 58 GLY C C 58 174.062 173.699 0.363 1
1 566 . 19 1 1 A 58 58 GLY CA C 58 44.872 45.193 -0.321 1
1 567 . 19 1 1 A 58 58 GLY N N 58 103.794 107.010 -3.216 1
1 568 . 19 1 1 A 59 59 LEU H H 59 7.153 7.207 -0.054 1
1 569 . 19 1 1 A 59 59 LEU HA H 59 4.123 4.250 -0.127 1
1 579 . 19 1 1 A 59 59 LEU C C 59 177.880 177.392 0.488 1
1 580 . 19 1 1 A 59 59 LEU CA C 59 55.114 54.328 0.786 1
1 581 . 19 1 1 A 59 59 LEU CB C 59 43.149 41.740 1.409 1
1 585 . 19 1 1 A 59 59 LEU N N 59 123.874 120.060 3.814 1
1 586 . 19 1 1 A 60 60 GLY H H 60 8.523 8.336 0.187 1
1 587 . 19 1 1 A 60 60 GLY HA2 H 60 4.091 3.990 0.101 1
1 588 . 19 1 1 A 60 60 GLY HA3 H 60 3.993 3.997 -0.004 1
1 589 . 19 1 1 A 60 60 GLY C C 60 174.634 174.782 -0.148 1
1 590 . 19 1 1 A 60 60 GLY CA C 60 44.995 45.182 -0.187 1
1 591 . 19 1 1 A 60 60 GLY N N 60 110.475 108.507 1.968 1
1 592 . 19 1 1 A 61 61 GLU H H 61 8.743 8.573 0.170 1
1 593 . 19 1 1 A 61 61 GLU HA H 61 3.873 3.876 -0.003 1
1 598 . 19 1 1 A 61 61 GLU C C 61 178.841 178.648 0.193 1
1 599 . 19 1 1 A 61 61 GLU CA C 61 59.577 59.328 0.249 1
1 600 . 19 1 1 A 61 61 GLU CB C 61 29.299 29.350 -0.051 1
1 602 . 19 1 1 A 61 61 GLU N N 61 122.609 121.916 0.693 1
1 603 . 19 1 1 A 62 62 GLU H H 62 9.063 7.854 1.209 1
1 604 . 19 1 1 A 62 62 GLU HA H 62 4.033 4.013 0.020 1
1 609 . 19 1 1 A 62 62 GLU C C 62 179.086 179.025 0.061 1
1 610 . 19 1 1 A 62 62 GLU CA C 62 59.841 58.881 0.960 1
1 611 . 19 1 1 A 62 62 GLU CB C 62 28.660 29.361 -0.701 1
1 613 . 19 1 1 A 62 62 GLU N N 62 118.089 119.905 -1.816 1
1 614 . 19 1 1 A 63 63 GLN H H 63 7.563 7.789 -0.226 1
1 615 . 19 1 1 A 63 63 GLN HA H 63 4.282 3.942 0.340 1
1 622 . 19 1 1 A 63 63 GLN C C 63 179.406 178.651 0.755 1
1 623 . 19 1 1 A 63 63 GLN CA C 63 59.050 58.312 0.738 1
1 624 . 19 1 1 A 63 63 GLN CB C 63 29.089 27.995 1.094 1
1 626 . 19 1 1 A 63 63 GLN N N 63 118.216 119.261 -1.045 1
1 628 . 19 1 1 A 64 64 LYS H H 64 8.193 7.860 0.333 1
1 629 . 19 1 1 A 64 64 LYS HA H 64 3.933 4.049 -0.116 1
1 638 . 19 1 1 A 64 64 LYS C C 64 179.858 179.610 0.248 1
1 639 . 19 1 1 A 64 64 LYS CA C 64 60.774 59.068 1.706 1
1 640 . 19 1 1 A 64 64 LYS CB C 64 33.100 32.291 0.809 1
1 644 . 19 1 1 A 64 64 LYS N N 64 119.928 120.504 -0.576 1
1 645 . 19 1 1 A 65 65 GLN H H 65 8.459 8.079 0.380 1
1 646 . 19 1 1 A 65 65 GLN HA H 65 4.056 4.121 -0.065 1
1 653 . 19 1 1 A 65 65 GLN C C 65 177.751 178.161 -0.410 1
1 654 . 19 1 1 A 65 65 GLN CA C 65 58.891 58.641 0.250 1
1 655 . 19 1 1 A 65 65 GLN CB C 65 28.167 27.724 0.443 1
1 657 . 19 1 1 A 65 65 GLN N N 65 117.874 118.250 -0.376 1
1 659 . 19 1 1 A 66 66 VAL H H 66 7.408 7.702 -0.294 1
1 660 . 19 1 1 A 66 66 VAL HA H 66 3.653 3.852 -0.199 1
1 668 . 19 1 1 A 66 66 VAL C C 66 178.900 176.928 1.972 1
1 669 . 19 1 1 A 66 66 VAL CA C 66 66.860 64.564 2.296 1
1 670 . 19 1 1 A 66 66 VAL CB C 66 31.784 31.658 0.126 1
1 673 . 19 1 1 A 66 66 VAL N N 66 119.348 119.954 -0.606 1
1 674 . 19 1 1 A 67 67 TYR H H 67 7.229 7.801 -0.572 1
1 675 . 19 1 1 A 67 67 TYR HA H 67 4.151 4.430 -0.279 1
1 682 . 19 1 1 A 67 67 TYR C C 67 178.776 178.922 -0.146 1
1 683 . 19 1 1 A 67 67 TYR CA C 67 63.307 61.372 1.935 1
1 684 . 19 1 1 A 67 67 TYR CB C 67 39.308 38.732 0.576 1
1 689 . 19 1 1 A 67 67 TYR N N 67 117.638 120.596 -2.958 1
1 690 . 19 1 1 A 68 68 LYS H H 68 8.554 7.939 0.615 1
1 691 . 19 1 1 A 68 68 LYS HA H 68 4.195 4.306 -0.111 1
1 698 . 19 1 1 A 68 68 LYS C C 68 179.468 179.100 0.368 1
1 699 . 19 1 1 A 68 68 LYS CA C 68 60.703 59.438 1.265 1
1 700 . 19 1 1 A 68 68 LYS CB C 68 32.154 32.374 -0.220 1
1 704 . 19 1 1 A 68 68 LYS N N 68 121.795 118.729 3.066 1
1 705 . 19 1 1 A 69 69 LYS H H 69 8.883 7.674 1.209 1
1 706 . 19 1 1 A 69 69 LYS HA H 69 4.171 4.077 0.094 1
1 715 . 19 1 1 A 69 69 LYS C C 69 180.214 178.886 1.328 1
1 716 . 19 1 1 A 69 69 LYS CA C 69 59.824 59.457 0.367 1
1 717 . 19 1 1 A 69 69 LYS CB C 69 32.072 32.211 -0.139 1
1 721 . 19 1 1 A 69 69 LYS N N 69 120.539 119.712 0.827 1
1 722 . 19 1 1 A 70 70 LYS H H 70 7.791 8.024 -0.233 1
1 723 . 19 1 1 A 70 70 LYS HA H 70 4.211 4.196 0.015 1
1 732 . 19 1 1 A 70 70 LYS C C 70 179.985 179.309 0.676 1
1 733 . 19 1 1 A 70 70 LYS CA C 70 60.017 58.878 1.139 1
1 734 . 19 1 1 A 70 70 LYS CB C 70 33.200 31.769 1.431 1
1 738 . 19 1 1 A 70 70 LYS N N 70 119.946 118.509 1.437 1
1 739 . 19 1 1 A 71 71 THR H H 71 8.002 8.142 -0.140 1
1 740 . 19 1 1 A 71 71 THR HA H 71 4.301 3.893 0.408 1
1 745 . 19 1 1 A 71 71 THR C C 71 176.462 176.533 -0.071 1
1 746 . 19 1 1 A 71 71 THR CA C 71 66.402 67.394 -0.992 1
1 747 . 19 1 1 A 71 71 THR CB C 71 68.949 68.284 0.665 1
1 749 . 19 1 1 A 71 71 THR N N 71 116.183 116.628 -0.445 1
1 750 . 19 1 1 A 72 72 GLU H H 72 8.295 8.318 -0.023 1
1 751 . 19 1 1 A 72 72 GLU HA H 72 4.143 4.076 0.067 1
1 756 . 19 1 1 A 72 72 GLU C C 72 179.498 178.495 1.003 1
1 757 . 19 1 1 A 72 72 GLU CA C 72 59.665 59.417 0.248 1
1 758 . 19 1 1 A 72 72 GLU CB C 72 29.400 29.006 0.394 1
1 760 . 19 1 1 A 72 72 GLU N N 72 123.438 119.330 4.108 1
1 761 . 19 1 1 A 73 73 ALA H H 73 8.063 7.506 0.557 1
1 762 . 19 1 1 A 73 73 ALA HA H 73 4.262 4.214 0.048 1
1 766 . 19 1 1 A 73 73 ALA C C 73 180.639 178.569 2.070 1
1 767 . 19 1 1 A 73 73 ALA CA C 73 55.268 54.068 1.200 1
1 768 . 19 1 1 A 73 73 ALA CB C 73 17.824 18.459 -0.635 1
1 769 . 19 1 1 A 73 73 ALA N N 73 122.231 121.308 0.923 1
1 770 . 19 1 1 A 74 74 ALA H H 74 8.093 7.684 0.409 1
1 771 . 19 1 1 A 74 74 ALA HA H 74 4.320 4.253 0.067 1
1 775 . 19 1 1 A 74 74 ALA C C 74 181.394 179.782 1.612 1
1 776 . 19 1 1 A 74 74 ALA CA C 74 54.904 53.477 1.427 1
1 777 . 19 1 1 A 74 74 ALA CB C 74 18.313 19.071 -0.758 1
1 778 . 19 1 1 A 74 74 ALA N N 74 121.882 119.436 2.446 1
1 779 . 19 1 1 A 75 75 LYS H H 75 8.661 7.793 0.868 1
1 780 . 19 1 1 A 75 75 LYS HA H 75 4.053 4.154 -0.101 1
1 786 . 19 1 1 A 75 75 LYS C C 75 178.096 178.639 -0.543 1
1 787 . 19 1 1 A 75 75 LYS CA C 75 60.510 59.354 1.156 1
1 788 . 19 1 1 A 75 75 LYS CB C 75 32.236 32.519 -0.283 1
1 792 . 19 1 1 A 75 75 LYS N N 75 121.652 118.151 3.501 1
1 793 . 19 1 1 A 76 76 LYS H H 76 7.855 7.789 0.066 1
1 794 . 19 1 1 A 76 76 LYS HA H 76 4.110 3.987 0.123 1
1 799 . 19 1 1 A 76 76 LYS C C 76 179.822 179.280 0.542 1
1 800 . 19 1 1 A 76 76 LYS CA C 76 59.993 59.536 0.457 1
1 801 . 19 1 1 A 76 76 LYS CB C 76 32.401 32.293 0.108 1
1 805 . 19 1 1 A 76 76 LYS N N 76 119.219 118.687 0.532 1
1 806 . 19 1 1 A 77 77 GLU H H 77 7.880 8.317 -0.437 1
1 807 . 19 1 1 A 77 77 GLU HA H 77 4.233 4.092 0.141 1
1 812 . 19 1 1 A 77 77 GLU C C 77 178.358 178.347 0.011 1
1 813 . 19 1 1 A 77 77 GLU CA C 77 58.980 59.354 -0.374 1
1 814 . 19 1 1 A 77 77 GLU CB C 77 29.235 29.241 -0.006 1
1 816 . 19 1 1 A 77 77 GLU N N 77 119.640 118.298 1.342 1
1 817 . 19 1 1 A 78 78 TYR H H 78 8.391 7.918 0.473 1
1 818 . 19 1 1 A 78 78 TYR HA H 78 4.413 4.177 0.236 1
1 825 . 19 1 1 A 78 78 TYR C C 78 176.737 177.388 -0.651 1
1 826 . 19 1 1 A 78 78 TYR CA C 78 60.809 61.439 -0.630 1
1 827 . 19 1 1 A 78 78 TYR CB C 78 38.239 38.445 -0.206 1
1 832 . 19 1 1 A 78 78 TYR N N 78 121.464 122.234 -0.770 1
1 833 . 19 1 1 A 79 79 LEU H H 79 8.203 8.474 -0.271 1
1 834 . 19 1 1 A 79 79 LEU HA H 79 3.764 3.670 0.094 1
1 844 . 19 1 1 A 79 79 LEU C C 79 180.728 179.233 1.495 1
1 845 . 19 1 1 A 79 79 LEU CA C 79 58.170 58.014 0.156 1
1 846 . 19 1 1 A 79 79 LEU CB C 79 41.445 41.563 -0.118 1
1 850 . 19 1 1 A 79 79 LEU N N 79 118.433 119.863 -1.430 1
1 851 . 19 1 1 A 80 80 LYS H H 80 7.523 7.726 -0.203 1
1 852 . 19 1 1 A 80 80 LYS HA H 80 4.134 3.875 0.259 1
1 861 . 19 1 1 A 80 80 LYS C C 80 179.804 179.836 -0.032 1
1 862 . 19 1 1 A 80 80 LYS CA C 80 59.630 60.234 -0.604 1
1 863 . 19 1 1 A 80 80 LYS CB C 80 32.400 32.381 0.019 1
1 867 . 19 1 1 A 80 80 LYS N N 80 120.723 117.445 3.278 1
1 868 . 19 1 1 A 81 81 GLN H H 81 8.473 8.215 0.258 1
1 869 . 19 1 1 A 81 81 GLN HA H 81 4.144 3.898 0.246 1
1 876 . 19 1 1 A 81 81 GLN C C 81 179.906 178.596 1.310 1
1 877 . 19 1 1 A 81 81 GLN CA C 81 58.628 59.051 -0.423 1
1 878 . 19 1 1 A 81 81 GLN CB C 81 28.273 28.119 0.154 1
1 880 . 19 1 1 A 81 81 GLN N N 81 120.899 118.941 1.958 1
1 882 . 19 1 1 A 82 82 LEU H H 82 9.233 8.204 1.029 1
1 883 . 19 1 1 A 82 82 LEU HA H 82 3.963 4.093 -0.130 1
1 893 . 19 1 1 A 82 82 LEU C C 82 178.293 178.357 -0.064 1
1 894 . 19 1 1 A 82 82 LEU CA C 82 57.959 57.600 0.359 1
1 895 . 19 1 1 A 82 82 LEU CB C 82 42.044 41.020 1.024 1
1 899 . 19 1 1 A 82 82 LEU N N 82 123.463 121.645 1.818 1
1 900 . 19 1 1 A 83 83 ALA H H 83 7.732 8.212 -0.480 1
1 901 . 19 1 1 A 83 83 ALA HA H 83 4.223 4.065 0.158 1
1 905 . 19 1 1 A 83 83 ALA C C 83 180.853 179.213 1.640 1
1 906 . 19 1 1 A 83 83 ALA CA C 83 54.944 54.300 0.644 1
1 907 . 19 1 1 A 83 83 ALA CB C 83 17.765 18.321 -0.556 1
1 908 . 19 1 1 A 83 83 ALA N N 83 120.956 119.984 0.972 1
1 909 . 19 1 1 A 84 84 ALA H H 84 7.716 7.456 0.260 1
1 910 . 19 1 1 A 84 84 ALA HA H 84 4.135 4.269 -0.134 1
1 914 . 19 1 1 A 84 84 ALA C C 84 180.256 178.971 1.285 1
1 915 . 19 1 1 A 84 84 ALA CA C 84 55.234 54.652 0.582 1
1 916 . 19 1 1 A 84 84 ALA CB C 84 17.806 19.218 -1.412 1
1 917 . 19 1 1 A 84 84 ALA N N 84 121.082 119.450 1.632 1
1 918 . 19 1 1 A 85 85 TYR H H 85 8.453 8.187 0.266 1
1 919 . 19 1 1 A 85 85 TYR HA H 85 4.310 3.975 0.335 1
1 926 . 19 1 1 A 85 85 TYR C C 85 178.538 177.686 0.852 1
1 927 . 19 1 1 A 85 85 TYR CA C 85 60.862 62.014 -1.152 1
1 928 . 19 1 1 A 85 85 TYR CB C 85 38.444 38.864 -0.420 1
1 933 . 19 1 1 A 85 85 TYR N N 85 121.359 120.107 1.252 1
1 934 . 19 1 1 A 86 86 ARG H H 86 8.734 7.698 1.036 1
1 935 . 19 1 1 A 86 86 ARG HA H 86 3.713 3.702 0.011 1
1 942 . 19 1 1 A 86 86 ARG C C 86 178.962 178.765 0.197 1
1 943 . 19 1 1 A 86 86 ARG CA C 86 59.454 59.297 0.157 1
1 944 . 19 1 1 A 86 86 ARG CB C 86 29.605 29.928 -0.323 1
1 947 . 19 1 1 A 86 86 ARG N N 86 119.740 118.835 0.905 1
1 948 . 19 1 1 A 87 87 ALA H H 87 7.853 8.089 -0.236 1
1 949 . 19 1 1 A 87 87 ALA HA H 87 4.195 4.051 0.144 1
1 953 . 19 1 1 A 87 87 ALA C C 87 179.605 179.653 -0.048 1
1 954 . 19 1 1 A 87 87 ALA CA C 87 54.353 54.965 -0.612 1
1 955 . 19 1 1 A 87 87 ALA CB C 87 17.971 18.378 -0.407 1
1 956 . 19 1 1 A 87 87 ALA N N 87 120.667 122.227 -1.560 1
1 957 . 19 1 1 A 88 88 SER H H 88 7.763 7.708 0.055 1
1 958 . 19 1 1 A 88 88 SER HA H 88 4.347 4.390 -0.043 1
1 961 . 19 1 1 A 88 88 SER C C 88 175.219 177.035 -1.816 1
1 962 . 19 1 1 A 88 88 SER CA C 88 60.158 61.419 -1.261 1
1 963 . 19 1 1 A 88 88 SER CB C 88 63.440 63.081 0.359 1
1 964 . 19 1 1 A 88 88 SER N N 88 114.332 113.065 1.267 1
1 965 . 19 1 1 A 89 89 LEU H H 89 7.344 7.896 -0.552 1
1 966 . 19 1 1 A 89 89 LEU HA H 89 4.163 3.937 0.226 1
1 976 . 19 1 1 A 89 89 LEU C C 89 178.335 179.616 -1.281 1
1 977 . 19 1 1 A 89 89 LEU CA C 89 56.059 57.977 -1.918 1
1 978 . 19 1 1 A 89 89 LEU CB C 89 42.062 41.596 0.466 1
1 982 . 19 1 1 A 89 89 LEU N N 89 121.862 121.896 -0.034 1
1 983 . 19 1 1 A 90 90 VAL H H 90 7.533 8.088 -0.555 1
1 984 . 19 1 1 A 90 90 VAL HA H 90 4.063 3.980 0.083 1
1 992 . 19 1 1 A 90 90 VAL C C 90 176.743 176.168 0.575 1
1 993 . 19 1 1 A 90 90 VAL CA C 90 63.183 64.651 -1.468 1
1 994 . 19 1 1 A 90 90 VAL CB C 90 32.318 31.410 0.908 1
1 997 . 19 1 1 A 90 90 VAL N N 90 117.748 115.742 2.006 1
1 998 . 19 1 1 A 91 91 SER H H 91 8.059 7.836 0.223 1
1 999 . 19 1 1 A 91 91 SER HA H 91 4.415 4.513 -0.098 1
1 1002 . 19 1 1 A 91 91 SER C C 91 174.854 174.032 0.822 1
1 1003 . 19 1 1 A 91 91 SER CA C 91 58.861 57.357 1.504 1
1 1004 . 19 1 1 A 91 91 SER CB C 91 63.810 63.977 -0.167 1
1 1005 . 19 1 1 A 91 91 SER N N 91 117.663 117.936 -0.273 1
1 1006 . 19 1 1 A 92 92 LYS H H 92 8.158 8.376 -0.218 1
1 1007 . 19 1 1 A 92 92 LYS HA H 92 4.329 4.086 0.243 1
1 1010 . 19 1 1 A 92 92 LYS C C 92 176.528 175.607 0.921 1
1 1011 . 19 1 1 A 92 92 LYS CA C 92 56.551 57.587 -1.036 1
1 1012 . 19 1 1 A 92 92 LYS CB C 92 32.771 31.703 1.068 1
1 1016 . 19 1 1 A 92 92 LYS N N 92 122.827 127.295 -4.468 1
1 1017 . 19 1 1 A 93 93 SER H H 93 8.186 8.328 -0.142 1
1 1018 . 19 1 1 A 93 93 SER HA H 93 4.444 5.076 -0.632 1
1 1021 . 19 1 1 A 93 93 SER C C 93 174.271 171.677 2.594 1
1 1022 . 19 1 1 A 93 93 SER CA C 93 58.504 57.401 1.103 1
1 1023 . 19 1 1 A 93 93 SER CB C 93 63.933 66.064 -2.131 1
1 1024 . 19 1 1 A 93 93 SER N N 93 116.068 116.724 -0.656 1
1 1025 . 19 1 1 A 94 94 TYR H H 94 8.146 8.613 -0.467 1
1 1026 . 19 1 1 A 94 94 TYR HA H 94 4.658 5.448 -0.790 1
1 1033 . 19 1 1 A 94 94 TYR C C 94 176.011 175.242 0.769 1
1 1034 . 19 1 1 A 94 94 TYR CA C 94 58.135 56.571 1.564 1
1 1035 . 19 1 1 A 94 94 TYR CB C 94 38.855 42.567 -3.712 1
1 1040 . 19 1 1 A 94 94 TYR N N 94 122.150 118.393 3.757 1
1 1041 . 19 1 1 A 95 95 THR H H 95 8.024 8.674 -0.650 1
1 1042 . 19 1 1 A 95 95 THR HA H 95 4.333 4.814 -0.481 1
1 1047 . 19 1 1 A 95 95 THR C C 95 174.054 171.804 2.250 1
1 1048 . 19 1 1 A 95 95 THR CA C 95 61.740 60.984 0.756 1
1 1049 . 19 1 1 A 95 95 THR CB C 95 69.977 70.791 -0.814 1
1 1051 . 19 1 1 A 95 95 THR N N 95 115.298 115.910 -0.612 1
1 1052 . 19 1 1 A 96 96 ASP H H 96 8.288 8.868 -0.580 1
1 1053 . 19 1 1 A 96 96 ASP HA H 96 4.663 5.177 -0.514 1
1 1056 . 19 1 1 A 96 96 ASP C C 96 176.252 173.874 2.378 1
1 1057 . 19 1 1 A 96 96 ASP CA C 96 54.494 52.913 1.581 1
1 1058 . 19 1 1 A 96 96 ASP CB C 96 41.404 44.895 -3.491 1
1 1059 . 19 1 1 A 96 96 ASP N N 96 122.969 125.406 -2.437 1
1 1060 . 19 1 1 A 97 97 SER H H 97 8.272 8.997 -0.725 1
1 1061 . 19 1 1 A 97 97 SER HA H 97 4.500 5.324 -0.824 1
1 1063 . 19 1 1 A 97 97 SER C C 97 174.845 172.892 1.953 1
1 1064 . 19 1 1 A 97 97 SER CA C 97 58.522 55.970 2.552 1
1 1065 . 19 1 1 A 97 97 SER CB C 97 63.656 66.464 -2.808 1
1 1066 . 19 1 1 A 97 97 SER N N 97 116.137 114.895 1.242 1
1 1067 . 19 1 1 A 98 98 GLY H H 98 8.289 8.587 -0.298 1
1 1068 . 19 1 1 A 98 98 GLY HA2 H 98 4.123 4.517 -0.394 1
1 1069 . 19 1 1 A 98 98 GLY HA3 H 98 4.123 4.518 -0.395 1
1 1070 . 19 1 1 A 98 98 GLY C C 98 171.920 173.781 -1.861 1
1 1071 . 19 1 1 A 98 98 GLY CA C 98 44.748 45.740 -0.992 1
1 1072 . 19 1 1 A 98 98 GLY N N 98 110.751 111.191 -0.440 1
1 1073 . 19 1 1 A 99 99 PRO HA H 99 4.490 4.540 -0.050 1
1 1080 . 19 1 1 A 99 99 PRO CA C 99 63.373 64.112 -0.739 1
1 1081 . 19 1 1 A 99 99 PRO CB C 99 32.247 31.731 0.516 1
1 1 . 20 1 1 A 12 12 LYS HA H 12 4.317 4.662 -0.345 1
1 6 . 20 1 1 A 12 12 LYS C C 12 176.329 173.722 2.607 1
1 7 . 20 1 1 A 12 12 LYS CA C 12 56.223 55.003 1.220 1
1 8 . 20 1 1 A 12 12 LYS CB C 12 33.117 34.361 -1.244 1
1 12 . 20 1 1 A 13 13 LYS H H 13 8.394 8.482 -0.088 1
1 13 . 20 1 1 A 13 13 LYS HA H 13 4.273 4.653 -0.380 1
1 18 . 20 1 1 A 13 13 LYS C C 13 175.990 174.691 1.299 1
1 19 . 20 1 1 A 13 13 LYS CA C 13 56.222 55.716 0.506 1
1 20 . 20 1 1 A 13 13 LYS CB C 13 33.223 33.954 -0.731 1
1 24 . 20 1 1 A 13 13 LYS N N 13 123.900 122.363 1.537 1
1 25 . 20 1 1 A 14 14 ASP H H 14 8.625 8.783 -0.158 1
1 26 . 20 1 1 A 14 14 ASP HA H 14 4.902 5.345 -0.443 1
1 29 . 20 1 1 A 14 14 ASP CA C 14 51.958 51.285 0.673 1
1 30 . 20 1 1 A 14 14 ASP CB C 14 41.422 41.806 -0.384 1
1 31 . 20 1 1 A 14 14 ASP N N 14 124.861 124.287 0.574 1
1 32 . 20 1 1 A 15 15 PRO HA H 15 4.442 4.429 0.013 1
1 39 . 20 1 1 A 15 15 PRO C C 15 176.634 174.869 1.765 1
1 40 . 20 1 1 A 15 15 PRO CA C 15 63.606 63.873 -0.267 1
1 41 . 20 1 1 A 15 15 PRO CB C 15 32.323 31.397 0.926 1
1 44 . 20 1 1 A 16 16 ASN H H 16 8.414 7.823 0.591 1
1 45 . 20 1 1 A 16 16 ASN HA H 16 4.683 5.077 -0.394 1
1 50 . 20 1 1 A 16 16 ASN C C 16 174.365 175.035 -0.670 1
1 51 . 20 1 1 A 16 16 ASN CA C 16 52.946 51.525 1.421 1
1 52 . 20 1 1 A 16 16 ASN CB C 16 39.266 40.660 -1.394 1
1 53 . 20 1 1 A 16 16 ASN N N 16 116.873 113.513 3.360 1
1 55 . 20 1 1 A 17 17 GLU H H 17 7.712 7.951 -0.239 1
1 56 . 20 1 1 A 17 17 GLU HA H 17 3.233 2.903 0.330 1
1 61 . 20 1 1 A 17 17 GLU C C 17 174.415 174.777 -0.362 1
1 62 . 20 1 1 A 17 17 GLU CA C 17 54.423 56.394 -1.971 1
1 63 . 20 1 1 A 17 17 GLU CB C 17 29.911 28.457 1.454 1
1 65 . 20 1 1 A 17 17 GLU N N 17 122.673 118.723 3.950 1
1 66 . 20 1 1 A 18 18 PRO HA H 18 4.384 4.504 -0.120 1
1 73 . 20 1 1 A 18 18 PRO CA C 18 62.896 62.721 0.175 1
1 74 . 20 1 1 A 18 18 PRO CB C 18 31.963 32.459 -0.496 1
1 77 . 20 1 1 A 19 19 GLN H H 19 8.654 8.407 0.247 1
1 78 . 20 1 1 A 19 19 GLN HA H 19 4.293 4.678 -0.385 1
1 85 . 20 1 1 A 19 19 GLN C C 19 175.384 174.546 0.838 1
1 86 . 20 1 1 A 19 19 GLN CA C 19 55.057 54.889 0.168 1
1 87 . 20 1 1 A 19 19 GLN CB C 19 29.793 29.572 0.221 1
1 89 . 20 1 1 A 19 19 GLN N N 19 122.106 119.067 3.039 1
1 91 . 20 1 1 A 20 20 LYS H H 20 8.383 8.311 0.072 1
1 92 . 20 1 1 A 20 20 LYS HA H 20 3.393 2.824 0.569 1
1 101 . 20 1 1 A 20 20 LYS C C 20 174.706 174.787 -0.081 1
1 102 . 20 1 1 A 20 20 LYS CA C 20 54.951 53.688 1.263 1
1 103 . 20 1 1 A 20 20 LYS CB C 20 31.802 32.472 -0.670 1
1 107 . 20 1 1 A 20 20 LYS N N 20 124.861 125.938 -1.077 1
1 108 . 20 1 1 A 21 21 PRO HA H 21 4.500 4.442 0.058 1
1 115 . 20 1 1 A 21 21 PRO C C 21 176.741 176.594 0.147 1
1 116 . 20 1 1 A 21 21 PRO CA C 21 62.396 62.703 -0.307 1
1 117 . 20 1 1 A 21 21 PRO CB C 21 32.392 32.017 0.375 1
1 120 . 20 1 1 A 22 22 VAL H H 22 7.850 8.124 -0.274 1
1 121 . 20 1 1 A 22 22 VAL HA H 22 4.303 4.205 0.098 1
1 129 . 20 1 1 A 22 22 VAL C C 22 175.615 175.641 -0.026 1
1 130 . 20 1 1 A 22 22 VAL CA C 22 60.967 60.528 0.439 1
1 131 . 20 1 1 A 22 22 VAL CB C 22 32.342 33.134 -0.792 1
1 134 . 20 1 1 A 22 22 VAL N N 22 115.924 117.872 -1.948 1
1 135 . 20 1 1 A 23 23 SER H H 23 8.125 8.676 -0.551 1
1 136 . 20 1 1 A 23 23 SER HA H 23 4.433 4.503 -0.070 1
1 139 . 20 1 1 A 23 23 SER C C 23 173.516 175.850 -2.334 1
1 140 . 20 1 1 A 23 23 SER CA C 23 57.590 58.634 -1.044 1
1 141 . 20 1 1 A 23 23 SER CB C 23 65.578 64.204 1.374 1
1 142 . 20 1 1 A 23 23 SER N N 23 116.922 118.672 -1.750 1
1 143 . 20 1 1 A 24 24 ALA H H 24 8.707 8.917 -0.210 1
1 144 . 20 1 1 A 24 24 ALA HA H 24 4.046 4.118 -0.072 1
1 148 . 20 1 1 A 24 24 ALA C C 24 178.727 178.945 -0.218 1
1 149 . 20 1 1 A 24 24 ALA CA C 24 55.971 55.132 0.839 1
1 150 . 20 1 1 A 24 24 ALA CB C 24 18.505 19.059 -0.554 1
1 151 . 20 1 1 A 24 24 ALA N N 24 123.025 124.630 -1.605 1
1 152 . 20 1 1 A 25 25 TYR H H 25 8.119 8.099 0.020 1
1 153 . 20 1 1 A 25 25 TYR HA H 25 2.678 1.822 0.856 1
1 160 . 20 1 1 A 25 25 TYR C C 25 176.253 177.224 -0.971 1
1 161 . 20 1 1 A 25 25 TYR CA C 25 60.281 60.379 -0.098 1
1 162 . 20 1 1 A 25 25 TYR CB C 25 37.951 38.050 -0.099 1
1 167 . 20 1 1 A 25 25 TYR N N 25 115.954 119.018 -3.064 1
1 168 . 20 1 1 A 26 26 ALA H H 26 7.742 7.592 0.150 1
1 169 . 20 1 1 A 26 26 ALA HA H 26 3.758 3.806 -0.048 1
1 173 . 20 1 1 A 26 26 ALA C C 26 181.489 179.259 2.230 1
1 174 . 20 1 1 A 26 26 ALA CA C 26 54.859 54.052 0.807 1
1 175 . 20 1 1 A 26 26 ALA CB C 26 18.029 18.744 -0.715 1
1 176 . 20 1 1 A 26 26 ALA N N 26 121.384 121.458 -0.074 1
1 177 . 20 1 1 A 27 27 LEU H H 27 7.991 8.274 -0.283 1
1 178 . 20 1 1 A 27 27 LEU HA H 27 4.023 4.005 0.018 1
1 188 . 20 1 1 A 27 27 LEU C C 27 178.625 178.680 -0.055 1
1 189 . 20 1 1 A 27 27 LEU CA C 27 57.876 57.793 0.083 1
1 190 . 20 1 1 A 27 27 LEU CB C 27 42.103 41.154 0.949 1
1 194 . 20 1 1 A 27 27 LEU N N 27 120.626 118.820 1.806 1
1 195 . 20 1 1 A 28 28 PHE H H 28 7.706 7.500 0.206 1
1 196 . 20 1 1 A 28 28 PHE HA H 28 3.653 4.027 -0.374 1
1 204 . 20 1 1 A 28 28 PHE C C 28 178.640 177.442 1.198 1
1 205 . 20 1 1 A 28 28 PHE CA C 28 61.653 59.436 2.217 1
1 206 . 20 1 1 A 28 28 PHE CB C 28 39.060 39.262 -0.202 1
1 212 . 20 1 1 A 28 28 PHE N N 28 122.656 119.090 3.566 1
1 213 . 20 1 1 A 29 29 PHE H H 29 9.246 8.117 1.129 1
1 214 . 20 1 1 A 29 29 PHE HA H 29 3.483 4.044 -0.561 1
1 222 . 20 1 1 A 29 29 PHE C C 29 177.478 177.675 -0.197 1
1 223 . 20 1 1 A 29 29 PHE CA C 29 61.126 61.049 0.077 1
1 224 . 20 1 1 A 29 29 PHE CB C 29 38.837 38.791 0.046 1
1 230 . 20 1 1 A 29 29 PHE N N 29 123.986 119.447 4.539 1
1 231 . 20 1 1 A 30 30 ARG H H 30 8.044 8.163 -0.119 1
1 232 . 20 1 1 A 30 30 ARG HA H 30 4.046 4.206 -0.160 1
1 239 . 20 1 1 A 30 30 ARG C C 30 179.156 177.493 1.663 1
1 240 . 20 1 1 A 30 30 ARG CA C 30 59.542 58.102 1.440 1
1 241 . 20 1 1 A 30 30 ARG CB C 30 30.053 29.317 0.736 1
1 244 . 20 1 1 A 30 30 ARG N N 30 119.141 118.261 0.880 1
1 245 . 20 1 1 A 31 31 ASP H H 31 7.712 7.993 -0.281 1
1 246 . 20 1 1 A 31 31 ASP HA H 31 4.523 4.632 -0.109 1
1 249 . 20 1 1 A 31 31 ASP C C 31 177.850 178.733 -0.883 1
1 250 . 20 1 1 A 31 31 ASP CA C 31 56.516 56.405 0.111 1
1 251 . 20 1 1 A 31 31 ASP CB C 31 40.664 41.287 -0.623 1
1 252 . 20 1 1 A 31 31 ASP N N 31 118.527 119.647 -1.120 1
1 253 . 20 1 1 A 32 32 THR H H 32 7.704 7.526 0.178 1
1 254 . 20 1 1 A 32 32 THR HA H 32 3.953 3.682 0.271 1
1 259 . 20 1 1 A 32 32 THR C C 32 175.637 175.635 0.002 1
1 260 . 20 1 1 A 32 32 THR CA C 32 65.030 66.475 -1.445 1
1 261 . 20 1 1 A 32 32 THR CB C 32 69.195 68.062 1.133 1
1 263 . 20 1 1 A 32 32 THR N N 32 115.935 117.089 -1.154 1
1 264 . 20 1 1 A 33 33 GLN H H 33 8.361 7.855 0.506 1
1 265 . 20 1 1 A 33 33 GLN HA H 33 3.373 3.661 -0.288 1
1 272 . 20 1 1 A 33 33 GLN C C 33 176.526 177.773 -1.247 1
1 273 . 20 1 1 A 33 33 GLN CA C 33 60.000 58.895 1.105 1
1 274 . 20 1 1 A 33 33 GLN CB C 33 26.827 28.346 -1.519 1
1 276 . 20 1 1 A 33 33 GLN N N 33 120.539 119.561 0.978 1
1 278 . 20 1 1 A 34 34 ALA H H 34 8.053 7.992 0.061 1
1 279 . 20 1 1 A 34 34 ALA HA H 34 3.964 3.946 0.018 1
1 283 . 20 1 1 A 34 34 ALA C C 34 180.762 180.042 0.720 1
1 284 . 20 1 1 A 34 34 ALA CA C 34 55.338 55.027 0.311 1
1 285 . 20 1 1 A 34 34 ALA CB C 34 17.724 18.542 -0.818 1
1 286 . 20 1 1 A 34 34 ALA N N 34 120.505 120.907 -0.402 1
1 287 . 20 1 1 A 35 35 ALA H H 35 7.763 8.107 -0.344 1
1 288 . 20 1 1 A 35 35 ALA HA H 35 4.135 4.096 0.039 1
1 292 . 20 1 1 A 35 35 ALA C C 35 180.801 180.012 0.789 1
1 293 . 20 1 1 A 35 35 ALA CA C 35 54.635 54.985 -0.350 1
1 294 . 20 1 1 A 35 35 ALA CB C 35 17.888 18.410 -0.522 1
1 295 . 20 1 1 A 35 35 ALA N N 35 122.109 119.972 2.137 1
1 296 . 20 1 1 A 36 36 ILE H H 36 7.673 7.935 -0.262 1
1 297 . 20 1 1 A 36 36 ILE HA H 36 3.753 3.591 0.162 1
1 307 . 20 1 1 A 36 36 ILE C C 36 179.213 177.822 1.391 1
1 308 . 20 1 1 A 36 36 ILE CA C 36 62.955 64.988 -2.033 1
1 309 . 20 1 1 A 36 36 ILE CB C 36 36.388 37.505 -1.117 1
1 313 . 20 1 1 A 36 36 ILE N N 36 118.252 119.039 -0.787 1
1 314 . 20 1 1 A 37 37 LYS H H 37 8.444 7.971 0.473 1
1 315 . 20 1 1 A 37 37 LYS HA H 37 3.982 4.039 -0.057 1
1 324 . 20 1 1 A 37 37 LYS C C 37 178.872 179.363 -0.491 1
1 325 . 20 1 1 A 37 37 LYS CA C 37 58.715 59.684 -0.969 1
1 326 . 20 1 1 A 37 37 LYS CB C 37 31.802 32.424 -0.622 1
1 330 . 20 1 1 A 37 37 LYS N N 37 121.415 119.273 2.142 1
1 331 . 20 1 1 A 38 38 GLY H H 38 7.873 8.079 -0.206 1
1 332 . 20 1 1 A 38 38 GLY HA2 H 38 3.849 3.744 0.105 1
1 333 . 20 1 1 A 38 38 GLY HA3 H 38 3.849 3.745 0.104 1
1 334 . 20 1 1 A 38 38 GLY C C 38 175.341 175.978 -0.637 1
1 335 . 20 1 1 A 38 38 GLY CA C 38 46.490 47.368 -0.878 1
1 336 . 20 1 1 A 38 38 GLY N N 38 104.723 107.498 -2.775 1
1 337 . 20 1 1 A 39 39 GLN H H 39 7.288 7.796 -0.508 1
1 338 . 20 1 1 A 39 39 GLN HA H 39 4.313 4.244 0.069 1
1 345 . 20 1 1 A 39 39 GLN C C 39 175.814 175.909 -0.095 1
1 346 . 20 1 1 A 39 39 GLN CA C 39 56.482 56.408 0.074 1
1 347 . 20 1 1 A 39 39 GLN CB C 39 30.074 29.573 0.501 1
1 349 . 20 1 1 A 39 39 GLN N N 39 117.295 118.799 -1.504 1
1 351 . 20 1 1 A 40 40 ASN H H 40 7.780 8.193 -0.413 1
1 352 . 20 1 1 A 40 40 ASN HA H 40 5.159 5.192 -0.033 1
1 357 . 20 1 1 A 40 40 ASN C C 40 172.428 173.665 -1.237 1
1 358 . 20 1 1 A 40 40 ASN CA C 40 50.877 50.416 0.461 1
1 359 . 20 1 1 A 40 40 ASN CB C 40 39.595 38.694 0.901 1
1 360 . 20 1 1 A 40 40 ASN N N 40 115.989 116.993 -1.004 1
1 362 . 20 1 1 A 41 41 PRO HA H 41 4.523 4.344 0.179 1
1 369 . 20 1 1 A 41 41 PRO C C 41 177.550 177.837 -0.287 1
1 370 . 20 1 1 A 41 41 PRO CA C 41 64.837 64.277 0.560 1
1 371 . 20 1 1 A 41 41 PRO CB C 41 32.073 31.902 0.171 1
1 374 . 20 1 1 A 42 42 ASN H H 42 8.363 8.723 -0.360 1
1 375 . 20 1 1 A 42 42 ASN HA H 42 4.853 4.508 0.345 1
1 380 . 20 1 1 A 42 42 ASN C C 42 175.387 176.489 -1.102 1
1 381 . 20 1 1 A 42 42 ASN CA C 42 52.753 55.337 -2.584 1
1 382 . 20 1 1 A 42 42 ASN CB C 42 38.879 38.309 0.570 1
1 383 . 20 1 1 A 42 42 ASN N N 42 114.677 116.377 -1.700 1
1 385 . 20 1 1 A 43 43 ALA H H 43 7.533 7.176 0.357 1
1 386 . 20 1 1 A 43 43 ALA HA H 43 4.443 4.257 0.186 1
1 390 . 20 1 1 A 43 43 ALA C C 43 178.490 176.946 1.544 1
1 391 . 20 1 1 A 43 43 ALA CA C 43 52.647 52.984 -0.337 1
1 392 . 20 1 1 A 43 43 ALA CB C 43 19.314 19.084 0.230 1
1 393 . 20 1 1 A 43 43 ALA N N 43 124.307 122.283 2.024 1
1 394 . 20 1 1 A 44 44 THR H H 44 8.698 8.558 0.140 1
1 395 . 20 1 1 A 44 44 THR HA H 44 4.482 4.795 -0.313 1
1 400 . 20 1 1 A 44 44 THR C C 44 175.408 174.803 0.605 1
1 401 . 20 1 1 A 44 44 THR CA C 44 60.791 59.978 0.813 1
1 402 . 20 1 1 A 44 44 THR CB C 44 71.516 69.284 2.232 1
1 404 . 20 1 1 A 44 44 THR N N 44 114.309 110.741 3.568 1
1 405 . 20 1 1 A 45 45 PHE HA H 45 4.303 4.156 0.147 1
1 410 . 20 1 1 A 45 45 PHE CA C 45 61.982 61.163 0.819 1
1 411 . 20 1 1 A 45 45 PHE CB C 45 38.942 37.640 1.302 1
1 414 . 20 1 1 A 46 46 GLY HA2 H 46 3.962 3.959 0.003 1
1 415 . 20 1 1 A 46 46 GLY HA3 H 46 3.745 3.986 -0.241 1
1 416 . 20 1 1 A 46 46 GLY C C 46 176.621 176.691 -0.070 1
1 417 . 20 1 1 A 46 46 GLY CA C 46 46.930 47.243 -0.313 1
1 418 . 20 1 1 A 47 47 GLU H H 47 7.692 8.068 -0.376 1
1 419 . 20 1 1 A 47 47 GLU HA H 47 4.053 4.212 -0.159 1
1 424 . 20 1 1 A 47 47 GLU C C 47 179.472 178.944 0.528 1
1 425 . 20 1 1 A 47 47 GLU CA C 47 59.296 59.378 -0.082 1
1 426 . 20 1 1 A 47 47 GLU CB C 47 29.769 30.119 -0.350 1
1 428 . 20 1 1 A 47 47 GLU N N 47 123.040 121.284 1.756 1
1 429 . 20 1 1 A 48 48 VAL H H 48 8.504 7.985 0.519 1
1 430 . 20 1 1 A 48 48 VAL HA H 48 3.413 3.703 -0.290 1
1 438 . 20 1 1 A 48 48 VAL C C 48 177.640 178.252 -0.612 1
1 439 . 20 1 1 A 48 48 VAL CA C 48 67.159 66.033 1.126 1
1 440 . 20 1 1 A 48 48 VAL CB C 48 31.820 31.219 0.601 1
1 443 . 20 1 1 A 48 48 VAL N N 48 120.194 121.147 -0.953 1
1 444 . 20 1 1 A 49 49 SER H H 49 8.442 8.793 -0.351 1
1 445 . 20 1 1 A 49 49 SER HA H 49 4.093 4.438 -0.345 1
1 448 . 20 1 1 A 49 49 SER C C 49 176.016 175.902 0.114 1
1 449 . 20 1 1 A 49 49 SER CA C 49 62.500 61.860 0.640 1
1 450 . 20 1 1 A 49 49 SER CB C 49 62.653 63.627 -0.974 1
1 451 . 20 1 1 A 49 49 SER N N 49 113.484 117.429 -3.945 1
1 452 . 20 1 1 A 50 50 LYS H H 50 7.474 7.889 -0.415 1
1 453 . 20 1 1 A 50 50 LYS HA H 50 4.132 4.196 -0.064 1
1 462 . 20 1 1 A 50 50 LYS C C 50 179.463 178.546 0.917 1
1 463 . 20 1 1 A 50 50 LYS CA C 50 59.525 59.118 0.407 1
1 464 . 20 1 1 A 50 50 LYS CB C 50 32.606 32.321 0.285 1
1 468 . 20 1 1 A 50 50 LYS N N 50 120.865 119.524 1.341 1
1 469 . 20 1 1 A 51 51 ILE H H 51 7.853 7.588 0.265 1
1 470 . 20 1 1 A 51 51 ILE HA H 51 3.793 3.698 0.095 1
1 480 . 20 1 1 A 51 51 ILE C C 51 179.105 178.462 0.643 1
1 481 . 20 1 1 A 51 51 ILE CA C 51 65.488 65.266 0.222 1
1 482 . 20 1 1 A 51 51 ILE CB C 51 38.603 37.872 0.731 1
1 486 . 20 1 1 A 51 51 ILE N N 51 121.720 121.278 0.442 1
1 487 . 20 1 1 A 52 52 VAL H H 52 8.703 8.234 0.469 1
1 488 . 20 1 1 A 52 52 VAL HA H 52 3.659 3.724 -0.065 1
1 496 . 20 1 1 A 52 52 VAL C C 52 178.262 178.129 0.133 1
1 497 . 20 1 1 A 52 52 VAL CA C 52 67.388 66.898 0.490 1
1 498 . 20 1 1 A 52 52 VAL CB C 52 31.185 31.618 -0.433 1
1 501 . 20 1 1 A 52 52 VAL N N 52 121.006 120.462 0.544 1
1 502 . 20 1 1 A 53 53 ALA H H 53 8.343 8.662 -0.319 1
1 503 . 20 1 1 A 53 53 ALA HA H 53 4.412 4.266 0.146 1
1 507 . 20 1 1 A 53 53 ALA C C 53 180.884 180.108 0.776 1
1 508 . 20 1 1 A 53 53 ALA CA C 53 56.271 55.573 0.698 1
1 509 . 20 1 1 A 53 53 ALA CB C 53 17.888 18.604 -0.716 1
1 510 . 20 1 1 A 53 53 ALA N N 53 122.645 121.885 0.760 1
1 511 . 20 1 1 A 54 54 SER H H 54 7.905 7.902 0.003 1
1 512 . 20 1 1 A 54 54 SER HA H 54 4.415 4.312 0.103 1
1 515 . 20 1 1 A 54 54 SER C C 54 177.818 176.924 0.894 1
1 516 . 20 1 1 A 54 54 SER CA C 54 61.635 61.761 -0.126 1
1 517 . 20 1 1 A 54 54 SER CB C 54 62.947 63.388 -0.441 1
1 518 . 20 1 1 A 54 54 SER N N 54 114.062 114.366 -0.304 1
1 519 . 20 1 1 A 55 55 MET H H 55 8.553 8.471 0.082 1
1 520 . 20 1 1 A 55 55 MET HA H 55 4.194 4.188 0.006 1
1 528 . 20 1 1 A 55 55 MET C C 55 179.156 178.345 0.811 1
1 529 . 20 1 1 A 55 55 MET CA C 55 59.190 58.660 0.530 1
1 530 . 20 1 1 A 55 55 MET CB C 55 33.551 33.786 -0.235 1
1 533 . 20 1 1 A 55 55 MET N N 55 123.394 120.147 3.247 1
1 534 . 20 1 1 A 56 56 TRP H H 56 8.864 8.866 -0.002 1
1 535 . 20 1 1 A 56 56 TRP HA H 56 3.899 3.735 0.164 1
1 544 . 20 1 1 A 56 56 TRP C C 56 178.213 178.436 -0.223 1
1 545 . 20 1 1 A 56 56 TRP CA C 56 59.806 60.506 -0.700 1
1 546 . 20 1 1 A 56 56 TRP CB C 56 30.281 29.709 0.572 1
1 552 . 20 1 1 A 56 56 TRP N N 56 121.428 122.544 -1.116 1
1 554 . 20 1 1 A 57 57 ASP H H 57 8.061 8.006 0.055 1
1 555 . 20 1 1 A 57 57 ASP HA H 57 4.253 4.336 -0.083 1
1 558 . 20 1 1 A 57 57 ASP C C 57 178.103 177.226 0.877 1
1 559 . 20 1 1 A 57 57 ASP CA C 57 57.186 57.181 0.005 1
1 560 . 20 1 1 A 57 57 ASP CB C 57 40.705 40.514 0.191 1
1 561 . 20 1 1 A 57 57 ASP N N 57 117.661 119.586 -1.925 1
1 562 . 20 1 1 A 58 58 GLY H H 58 7.481 7.872 -0.391 1
1 563 . 20 1 1 A 58 58 GLY HA2 H 58 4.202 4.001 0.201 1
1 564 . 20 1 1 A 58 58 GLY HA3 H 58 3.672 4.049 -0.377 1
1 565 . 20 1 1 A 58 58 GLY C C 58 174.062 173.309 0.753 1
1 566 . 20 1 1 A 58 58 GLY CA C 58 44.872 45.575 -0.703 1
1 567 . 20 1 1 A 58 58 GLY N N 58 103.794 106.542 -2.748 1
1 568 . 20 1 1 A 59 59 LEU H H 59 7.153 7.226 -0.073 1
1 569 . 20 1 1 A 59 59 LEU HA H 59 4.123 4.432 -0.309 1
1 579 . 20 1 1 A 59 59 LEU C C 59 177.880 177.026 0.854 1
1 580 . 20 1 1 A 59 59 LEU CA C 59 55.114 53.930 1.184 1
1 581 . 20 1 1 A 59 59 LEU CB C 59 43.149 43.123 0.026 1
1 585 . 20 1 1 A 59 59 LEU N N 59 123.874 122.623 1.251 1
1 586 . 20 1 1 A 60 60 GLY H H 60 8.523 8.487 0.036 1
1 587 . 20 1 1 A 60 60 GLY HA2 H 60 4.091 3.969 0.122 1
1 588 . 20 1 1 A 60 60 GLY HA3 H 60 3.993 3.995 -0.002 1
1 589 . 20 1 1 A 60 60 GLY C C 60 174.634 175.392 -0.758 1
1 590 . 20 1 1 A 60 60 GLY CA C 60 44.995 45.435 -0.440 1
1 591 . 20 1 1 A 60 60 GLY N N 60 110.475 109.217 1.258 1
1 592 . 20 1 1 A 61 61 GLU H H 61 8.743 8.855 -0.112 1
1 593 . 20 1 1 A 61 61 GLU HA H 61 3.873 3.801 0.072 1
1 598 . 20 1 1 A 61 61 GLU C C 61 178.841 178.209 0.632 1
1 599 . 20 1 1 A 61 61 GLU CA C 61 59.577 59.759 -0.182 1
1 600 . 20 1 1 A 61 61 GLU CB C 61 29.299 29.372 -0.073 1
1 602 . 20 1 1 A 61 61 GLU N N 61 122.609 124.199 -1.590 1
1 603 . 20 1 1 A 62 62 GLU H H 62 9.063 8.302 0.761 1
1 604 . 20 1 1 A 62 62 GLU HA H 62 4.033 4.061 -0.028 1
1 609 . 20 1 1 A 62 62 GLU C C 62 179.086 179.258 -0.172 1
1 610 . 20 1 1 A 62 62 GLU CA C 62 59.841 59.392 0.449 1
1 611 . 20 1 1 A 62 62 GLU CB C 62 28.660 29.242 -0.582 1
1 613 . 20 1 1 A 62 62 GLU N N 62 118.089 118.837 -0.748 1
1 614 . 20 1 1 A 63 63 GLN H H 63 7.563 8.253 -0.690 1
1 615 . 20 1 1 A 63 63 GLN HA H 63 4.282 4.018 0.264 1
1 622 . 20 1 1 A 63 63 GLN C C 63 179.406 178.815 0.591 1
1 623 . 20 1 1 A 63 63 GLN CA C 63 59.050 58.551 0.499 1
1 624 . 20 1 1 A 63 63 GLN CB C 63 29.089 28.286 0.803 1
1 626 . 20 1 1 A 63 63 GLN N N 63 118.216 118.955 -0.739 1
1 628 . 20 1 1 A 64 64 LYS H H 64 8.193 7.624 0.569 1
1 629 . 20 1 1 A 64 64 LYS HA H 64 3.933 4.207 -0.274 1
1 638 . 20 1 1 A 64 64 LYS C C 64 179.858 179.435 0.423 1
1 639 . 20 1 1 A 64 64 LYS CA C 64 60.774 60.020 0.754 1
1 640 . 20 1 1 A 64 64 LYS CB C 64 33.100 31.989 1.111 1
1 644 . 20 1 1 A 64 64 LYS N N 64 119.928 119.733 0.195 1
1 645 . 20 1 1 A 65 65 GLN H H 65 8.459 7.837 0.622 1
1 646 . 20 1 1 A 65 65 GLN HA H 65 4.056 4.028 0.028 1
1 653 . 20 1 1 A 65 65 GLN C C 65 177.751 178.151 -0.400 1
1 654 . 20 1 1 A 65 65 GLN CA C 65 58.891 58.880 0.011 1
1 655 . 20 1 1 A 65 65 GLN CB C 65 28.167 28.437 -0.270 1
1 657 . 20 1 1 A 65 65 GLN N N 65 117.874 119.037 -1.163 1
1 659 . 20 1 1 A 66 66 VAL H H 66 7.408 7.926 -0.518 1
1 660 . 20 1 1 A 66 66 VAL HA H 66 3.653 3.713 -0.060 1
1 668 . 20 1 1 A 66 66 VAL C C 66 178.900 177.462 1.438 1
1 669 . 20 1 1 A 66 66 VAL CA C 66 66.860 65.258 1.602 1
1 670 . 20 1 1 A 66 66 VAL CB C 66 31.784 31.002 0.782 1
1 673 . 20 1 1 A 66 66 VAL N N 66 119.348 120.181 -0.833 1
1 674 . 20 1 1 A 67 67 TYR H H 67 7.229 7.570 -0.341 1
1 675 . 20 1 1 A 67 67 TYR HA H 67 4.151 4.360 -0.209 1
1 682 . 20 1 1 A 67 67 TYR C C 67 178.776 178.647 0.129 1
1 683 . 20 1 1 A 67 67 TYR CA C 67 63.307 61.255 2.052 1
1 684 . 20 1 1 A 67 67 TYR CB C 67 39.308 38.145 1.163 1
1 689 . 20 1 1 A 67 67 TYR N N 67 117.638 120.539 -2.901 1
1 690 . 20 1 1 A 68 68 LYS H H 68 8.554 8.411 0.143 1
1 691 . 20 1 1 A 68 68 LYS HA H 68 4.195 4.323 -0.128 1
1 698 . 20 1 1 A 68 68 LYS C C 68 179.468 179.068 0.400 1
1 699 . 20 1 1 A 68 68 LYS CA C 68 60.703 59.016 1.687 1
1 700 . 20 1 1 A 68 68 LYS CB C 68 32.154 32.203 -0.049 1
1 704 . 20 1 1 A 68 68 LYS N N 68 121.795 118.957 2.838 1
1 705 . 20 1 1 A 69 69 LYS H H 69 8.883 8.426 0.457 1
1 706 . 20 1 1 A 69 69 LYS HA H 69 4.171 4.155 0.016 1
1 715 . 20 1 1 A 69 69 LYS C C 69 180.214 179.413 0.801 1
1 716 . 20 1 1 A 69 69 LYS CA C 69 59.824 59.357 0.467 1
1 717 . 20 1 1 A 69 69 LYS CB C 69 32.072 32.554 -0.482 1
1 721 . 20 1 1 A 69 69 LYS N N 69 120.539 119.112 1.427 1
1 722 . 20 1 1 A 70 70 LYS H H 70 7.791 7.944 -0.153 1
1 723 . 20 1 1 A 70 70 LYS HA H 70 4.211 4.096 0.115 1
1 732 . 20 1 1 A 70 70 LYS C C 70 179.985 179.160 0.825 1
1 733 . 20 1 1 A 70 70 LYS CA C 70 60.017 59.204 0.813 1
1 734 . 20 1 1 A 70 70 LYS CB C 70 33.200 32.425 0.775 1
1 738 . 20 1 1 A 70 70 LYS N N 70 119.946 120.222 -0.276 1
1 739 . 20 1 1 A 71 71 THR H H 71 8.002 7.921 0.081 1
1 740 . 20 1 1 A 71 71 THR HA H 71 4.301 3.912 0.389 1
1 745 . 20 1 1 A 71 71 THR C C 71 176.462 176.436 0.026 1
1 746 . 20 1 1 A 71 71 THR CA C 71 66.402 66.692 -0.290 1
1 747 . 20 1 1 A 71 71 THR CB C 71 68.949 68.570 0.379 1
1 749 . 20 1 1 A 71 71 THR N N 71 116.183 116.835 -0.652 1
1 750 . 20 1 1 A 72 72 GLU H H 72 8.295 8.320 -0.025 1
1 751 . 20 1 1 A 72 72 GLU HA H 72 4.143 4.049 0.094 1
1 756 . 20 1 1 A 72 72 GLU C C 72 179.498 179.112 0.386 1
1 757 . 20 1 1 A 72 72 GLU CA C 72 59.665 59.332 0.333 1
1 758 . 20 1 1 A 72 72 GLU CB C 72 29.400 29.607 -0.207 1
1 760 . 20 1 1 A 72 72 GLU N N 72 123.438 120.064 3.374 1
1 761 . 20 1 1 A 73 73 ALA H H 73 8.063 7.732 0.331 1
1 762 . 20 1 1 A 73 73 ALA HA H 73 4.262 4.100 0.162 1
1 766 . 20 1 1 A 73 73 ALA C C 73 180.639 179.577 1.062 1
1 767 . 20 1 1 A 73 73 ALA CA C 73 55.268 54.833 0.435 1
1 768 . 20 1 1 A 73 73 ALA CB C 73 17.824 18.240 -0.416 1
1 769 . 20 1 1 A 73 73 ALA N N 73 122.231 122.649 -0.418 1
1 770 . 20 1 1 A 74 74 ALA H H 74 8.093 8.149 -0.056 1
1 771 . 20 1 1 A 74 74 ALA HA H 74 4.320 4.134 0.186 1
1 775 . 20 1 1 A 74 74 ALA C C 74 181.394 179.530 1.864 1
1 776 . 20 1 1 A 74 74 ALA CA C 74 54.904 55.264 -0.360 1
1 777 . 20 1 1 A 74 74 ALA CB C 74 18.313 18.922 -0.609 1
1 778 . 20 1 1 A 74 74 ALA N N 74 121.882 120.008 1.874 1
1 779 . 20 1 1 A 75 75 LYS H H 75 8.661 8.421 0.240 1
1 780 . 20 1 1 A 75 75 LYS HA H 75 4.053 4.181 -0.128 1
1 786 . 20 1 1 A 75 75 LYS C C 75 178.096 178.962 -0.866 1
1 787 . 20 1 1 A 75 75 LYS CA C 75 60.510 59.388 1.122 1
1 788 . 20 1 1 A 75 75 LYS CB C 75 32.236 32.323 -0.087 1
1 792 . 20 1 1 A 75 75 LYS N N 75 121.652 117.278 4.374 1
1 793 . 20 1 1 A 76 76 LYS H H 76 7.855 8.322 -0.467 1
1 794 . 20 1 1 A 76 76 LYS HA H 76 4.110 4.003 0.107 1
1 799 . 20 1 1 A 76 76 LYS C C 76 179.822 179.114 0.708 1
1 800 . 20 1 1 A 76 76 LYS CA C 76 59.993 60.203 -0.210 1
1 801 . 20 1 1 A 76 76 LYS CB C 76 32.401 32.301 0.100 1
1 805 . 20 1 1 A 76 76 LYS N N 76 119.219 119.955 -0.736 1
1 806 . 20 1 1 A 77 77 GLU H H 77 7.880 7.796 0.084 1
1 807 . 20 1 1 A 77 77 GLU HA H 77 4.233 4.084 0.149 1
1 812 . 20 1 1 A 77 77 GLU C C 77 178.358 178.099 0.259 1
1 813 . 20 1 1 A 77 77 GLU CA C 77 58.980 59.233 -0.253 1
1 814 . 20 1 1 A 77 77 GLU CB C 77 29.235 29.106 0.129 1
1 816 . 20 1 1 A 77 77 GLU N N 77 119.640 118.254 1.386 1
1 817 . 20 1 1 A 78 78 TYR H H 78 8.391 8.588 -0.197 1
1 818 . 20 1 1 A 78 78 TYR HA H 78 4.413 4.148 0.265 1
1 825 . 20 1 1 A 78 78 TYR C C 78 176.737 177.460 -0.723 1
1 826 . 20 1 1 A 78 78 TYR CA C 78 60.809 61.377 -0.568 1
1 827 . 20 1 1 A 78 78 TYR CB C 78 38.239 38.960 -0.721 1
1 832 . 20 1 1 A 78 78 TYR N N 78 121.464 122.066 -0.602 1
1 833 . 20 1 1 A 79 79 LEU H H 79 8.203 8.096 0.107 1
1 834 . 20 1 1 A 79 79 LEU HA H 79 3.764 3.630 0.134 1
1 844 . 20 1 1 A 79 79 LEU C C 79 180.728 178.624 2.104 1
1 845 . 20 1 1 A 79 79 LEU CA C 79 58.170 57.947 0.223 1
1 846 . 20 1 1 A 79 79 LEU CB C 79 41.445 41.672 -0.227 1
1 850 . 20 1 1 A 79 79 LEU N N 79 118.433 119.807 -1.374 1
1 851 . 20 1 1 A 80 80 LYS H H 80 7.523 7.863 -0.340 1
1 852 . 20 1 1 A 80 80 LYS HA H 80 4.134 3.781 0.353 1
1 861 . 20 1 1 A 80 80 LYS C C 80 179.804 179.860 -0.056 1
1 862 . 20 1 1 A 80 80 LYS CA C 80 59.630 60.421 -0.791 1
1 863 . 20 1 1 A 80 80 LYS CB C 80 32.400 32.224 0.176 1
1 867 . 20 1 1 A 80 80 LYS N N 80 120.723 116.849 3.874 1
1 868 . 20 1 1 A 81 81 GLN H H 81 8.473 7.946 0.527 1
1 869 . 20 1 1 A 81 81 GLN HA H 81 4.144 4.023 0.121 1
1 876 . 20 1 1 A 81 81 GLN C C 81 179.906 178.591 1.315 1
1 877 . 20 1 1 A 81 81 GLN CA C 81 58.628 58.704 -0.076 1
1 878 . 20 1 1 A 81 81 GLN CB C 81 28.273 27.888 0.385 1
1 880 . 20 1 1 A 81 81 GLN N N 81 120.899 119.135 1.764 1
1 882 . 20 1 1 A 82 82 LEU H H 82 9.233 7.667 1.566 1
1 883 . 20 1 1 A 82 82 LEU HA H 82 3.963 4.106 -0.143 1
1 893 . 20 1 1 A 82 82 LEU C C 82 178.293 178.260 0.033 1
1 894 . 20 1 1 A 82 82 LEU CA C 82 57.959 57.868 0.091 1
1 895 . 20 1 1 A 82 82 LEU CB C 82 42.044 41.622 0.422 1
1 899 . 20 1 1 A 82 82 LEU N N 82 123.463 121.822 1.641 1
1 900 . 20 1 1 A 83 83 ALA H H 83 7.732 8.418 -0.686 1
1 901 . 20 1 1 A 83 83 ALA HA H 83 4.223 4.003 0.220 1
1 905 . 20 1 1 A 83 83 ALA C C 83 180.853 179.239 1.614 1
1 906 . 20 1 1 A 83 83 ALA CA C 83 54.944 54.849 0.095 1
1 907 . 20 1 1 A 83 83 ALA CB C 83 17.765 18.460 -0.695 1
1 908 . 20 1 1 A 83 83 ALA N N 83 120.956 120.138 0.818 1
1 909 . 20 1 1 A 84 84 ALA H H 84 7.716 7.652 0.064 1
1 910 . 20 1 1 A 84 84 ALA HA H 84 4.135 4.300 -0.165 1
1 914 . 20 1 1 A 84 84 ALA C C 84 180.256 179.063 1.193 1
1 915 . 20 1 1 A 84 84 ALA CA C 84 55.234 54.469 0.765 1
1 916 . 20 1 1 A 84 84 ALA CB C 84 17.806 19.205 -1.399 1
1 917 . 20 1 1 A 84 84 ALA N N 84 121.082 119.467 1.615 1
1 918 . 20 1 1 A 85 85 TYR H H 85 8.453 8.369 0.084 1
1 919 . 20 1 1 A 85 85 TYR HA H 85 4.310 4.115 0.195 1
1 926 . 20 1 1 A 85 85 TYR C C 85 178.538 177.555 0.983 1
1 927 . 20 1 1 A 85 85 TYR CA C 85 60.862 61.915 -1.053 1
1 928 . 20 1 1 A 85 85 TYR CB C 85 38.444 38.844 -0.400 1
1 933 . 20 1 1 A 85 85 TYR N N 85 121.359 120.449 0.910 1
1 934 . 20 1 1 A 86 86 ARG H H 86 8.734 7.873 0.861 1
1 935 . 20 1 1 A 86 86 ARG HA H 86 3.713 3.574 0.139 1
1 942 . 20 1 1 A 86 86 ARG C C 86 178.962 178.399 0.563 1
1 943 . 20 1 1 A 86 86 ARG CA C 86 59.454 59.406 0.048 1
1 944 . 20 1 1 A 86 86 ARG CB C 86 29.605 29.700 -0.095 1
1 947 . 20 1 1 A 86 86 ARG N N 86 119.740 118.111 1.629 1
1 948 . 20 1 1 A 87 87 ALA H H 87 7.853 8.190 -0.337 1
1 949 . 20 1 1 A 87 87 ALA HA H 87 4.195 4.035 0.160 1
1 953 . 20 1 1 A 87 87 ALA C C 87 179.605 179.762 -0.157 1
1 954 . 20 1 1 A 87 87 ALA CA C 87 54.353 55.236 -0.883 1
1 955 . 20 1 1 A 87 87 ALA CB C 87 17.971 18.789 -0.818 1
1 956 . 20 1 1 A 87 87 ALA N N 87 120.667 121.656 -0.989 1
1 957 . 20 1 1 A 88 88 SER H H 88 7.763 7.766 -0.003 1
1 958 . 20 1 1 A 88 88 SER HA H 88 4.347 4.153 0.194 1
1 961 . 20 1 1 A 88 88 SER C C 88 175.219 176.491 -1.272 1
1 962 . 20 1 1 A 88 88 SER CA C 88 60.158 61.830 -1.672 1
1 963 . 20 1 1 A 88 88 SER CB C 88 63.440 63.116 0.324 1
1 964 . 20 1 1 A 88 88 SER N N 88 114.332 114.535 -0.203 1
1 965 . 20 1 1 A 89 89 LEU H H 89 7.344 7.849 -0.505 1
1 966 . 20 1 1 A 89 89 LEU HA H 89 4.163 4.074 0.089 1
1 976 . 20 1 1 A 89 89 LEU C C 89 178.335 177.174 1.161 1
1 977 . 20 1 1 A 89 89 LEU CA C 89 56.059 57.536 -1.477 1
1 978 . 20 1 1 A 89 89 LEU CB C 89 42.062 42.091 -0.029 1
1 982 . 20 1 1 A 89 89 LEU N N 89 121.862 119.363 2.499 1
1 983 . 20 1 1 A 90 90 VAL H H 90 7.533 7.854 -0.321 1
1 984 . 20 1 1 A 90 90 VAL HA H 90 4.063 4.126 -0.063 1
1 992 . 20 1 1 A 90 90 VAL C C 90 176.743 176.315 0.428 1
1 993 . 20 1 1 A 90 90 VAL CA C 90 63.183 60.993 2.190 1
1 994 . 20 1 1 A 90 90 VAL CB C 90 32.318 33.484 -1.166 1
1 997 . 20 1 1 A 90 90 VAL N N 90 117.748 117.671 0.077 1
1 998 . 20 1 1 A 91 91 SER H H 91 8.059 8.609 -0.550 1
1 999 . 20 1 1 A 91 91 SER HA H 91 4.415 4.494 -0.079 1
1 1002 . 20 1 1 A 91 91 SER C C 91 174.854 174.510 0.344 1
1 1003 . 20 1 1 A 91 91 SER CA C 91 58.861 60.475 -1.614 1
1 1004 . 20 1 1 A 91 91 SER CB C 91 63.810 64.153 -0.343 1
1 1005 . 20 1 1 A 91 91 SER N N 91 117.663 117.118 0.545 1
1 1006 . 20 1 1 A 92 92 LYS H H 92 8.158 7.732 0.426 1
1 1007 . 20 1 1 A 92 92 LYS HA H 92 4.329 4.897 -0.568 1
1 1010 . 20 1 1 A 92 92 LYS C C 92 176.528 175.658 0.870 1
1 1011 . 20 1 1 A 92 92 LYS CA C 92 56.551 54.794 1.757 1
1 1012 . 20 1 1 A 92 92 LYS CB C 92 32.771 34.838 -2.067 1
1 1016 . 20 1 1 A 92 92 LYS N N 92 122.827 116.323 6.504 1
1 1017 . 20 1 1 A 93 93 SER H H 93 8.186 8.818 -0.632 1
1 1018 . 20 1 1 A 93 93 SER HA H 93 4.444 4.888 -0.444 1
1 1021 . 20 1 1 A 93 93 SER C C 93 174.271 173.961 0.310 1
1 1022 . 20 1 1 A 93 93 SER CA C 93 58.504 57.232 1.272 1
1 1023 . 20 1 1 A 93 93 SER CB C 93 63.933 65.924 -1.991 1
1 1024 . 20 1 1 A 93 93 SER N N 93 116.068 115.918 0.150 1
1 1025 . 20 1 1 A 94 94 TYR H H 94 8.146 8.877 -0.731 1
1 1026 . 20 1 1 A 94 94 TYR HA H 94 4.658 4.639 0.019 1
1 1033 . 20 1 1 A 94 94 TYR C C 94 176.011 176.382 -0.371 1
1 1034 . 20 1 1 A 94 94 TYR CA C 94 58.135 59.012 -0.877 1
1 1035 . 20 1 1 A 94 94 TYR CB C 94 38.855 39.820 -0.965 1
1 1040 . 20 1 1 A 94 94 TYR N N 94 122.150 122.051 0.099 1
1 1041 . 20 1 1 A 95 95 THR H H 95 8.024 8.154 -0.130 1
1 1042 . 20 1 1 A 95 95 THR HA H 95 4.333 4.002 0.331 1
1 1047 . 20 1 1 A 95 95 THR C C 95 174.054 173.036 1.018 1
1 1048 . 20 1 1 A 95 95 THR CA C 95 61.740 65.914 -4.174 1
1 1049 . 20 1 1 A 95 95 THR CB C 95 69.977 67.189 2.788 1
1 1051 . 20 1 1 A 95 95 THR N N 95 115.298 111.260 4.038 1
1 1052 . 20 1 1 A 96 96 ASP H H 96 8.288 8.346 -0.058 1
1 1053 . 20 1 1 A 96 96 ASP HA H 96 4.663 4.991 -0.328 1
1 1056 . 20 1 1 A 96 96 ASP C C 96 176.252 174.353 1.899 1
1 1057 . 20 1 1 A 96 96 ASP CA C 96 54.494 53.481 1.013 1
1 1058 . 20 1 1 A 96 96 ASP CB C 96 41.404 44.746 -3.342 1
1 1059 . 20 1 1 A 96 96 ASP N N 96 122.969 119.633 3.336 1
1 1060 . 20 1 1 A 97 97 SER H H 97 8.272 8.701 -0.429 1
1 1061 . 20 1 1 A 97 97 SER HA H 97 4.500 5.076 -0.576 1
1 1063 . 20 1 1 A 97 97 SER C C 97 174.845 173.158 1.687 1
1 1064 . 20 1 1 A 97 97 SER CA C 97 58.522 58.181 0.341 1
1 1065 . 20 1 1 A 97 97 SER CB C 97 63.656 65.394 -1.738 1
1 1066 . 20 1 1 A 97 97 SER N N 97 116.137 117.731 -1.594 1
1 1067 . 20 1 1 A 98 98 GLY H H 98 8.289 8.544 -0.255 1
1 1068 . 20 1 1 A 98 98 GLY HA2 H 98 4.123 4.289 -0.166 1
1 1069 . 20 1 1 A 98 98 GLY HA3 H 98 4.123 4.293 -0.170 1
1 1070 . 20 1 1 A 98 98 GLY C C 98 171.920 171.300 0.620 1
1 1071 . 20 1 1 A 98 98 GLY CA C 98 44.748 45.437 -0.689 1
1 1072 . 20 1 1 A 98 98 GLY N N 98 110.751 113.356 -2.605 1
1 1073 . 20 1 1 A 99 99 PRO HA H 99 4.490 4.592 -0.102 1
1 1080 . 20 1 1 A 99 99 PRO CA C 99 63.373 62.634 0.739 1
1 1081 . 20 1 1 A 99 99 PRO CB C 99 32.247 32.758 -0.511 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 84 0.945 1
2 1 1 1 "RMS(OBS, PRED)" CA 88 0.957 1
3 1 1 1 "RMS(OBS, PRED)" CB 83 0.851 1
4 1 1 1 "RMS(OBS, PRED)" H 80 0.446 1
5 1 1 1 "RMS(OBS, PRED)" HA 93 0.208 1
6 1 1 1 "RMS(OBS, PRED)" N 80 1.881 1
7 1 2 1 "RMS(OBS, PRED)" C 84 0.907 1
8 1 2 1 "RMS(OBS, PRED)" CA 88 1.071 1
9 1 2 1 "RMS(OBS, PRED)" CB 83 0.922 1
10 1 2 1 "RMS(OBS, PRED)" H 80 0.441 1
11 1 2 1 "RMS(OBS, PRED)" HA 93 0.225 1
12 1 2 1 "RMS(OBS, PRED)" N 80 2.268 1
13 1 3 1 "RMS(OBS, PRED)" C 84 1.096 1
14 1 3 1 "RMS(OBS, PRED)" CA 88 1.055 1
15 1 3 1 "RMS(OBS, PRED)" CB 83 0.841 1
16 1 3 1 "RMS(OBS, PRED)" H 80 0.417 1
17 1 3 1 "RMS(OBS, PRED)" HA 93 0.248 1
18 1 3 1 "RMS(OBS, PRED)" N 80 2.048 1
19 1 4 1 "RMS(OBS, PRED)" C 84 0.974 1
20 1 4 1 "RMS(OBS, PRED)" CA 88 1.193 1
21 1 4 1 "RMS(OBS, PRED)" CB 83 0.783 1
22 1 4 1 "RMS(OBS, PRED)" H 80 0.432 1
23 1 4 1 "RMS(OBS, PRED)" HA 93 0.234 1
24 1 4 1 "RMS(OBS, PRED)" N 80 2.354 1
25 1 5 1 "RMS(OBS, PRED)" C 84 0.964 1
26 1 5 1 "RMS(OBS, PRED)" CA 88 1.073 1
27 1 5 1 "RMS(OBS, PRED)" CB 83 0.979 1
28 1 5 1 "RMS(OBS, PRED)" H 80 0.479 1
29 1 5 1 "RMS(OBS, PRED)" HA 93 0.214 1
30 1 5 1 "RMS(OBS, PRED)" N 80 2.287 1
31 1 6 1 "RMS(OBS, PRED)" C 84 1.007 1
32 1 6 1 "RMS(OBS, PRED)" CA 88 1.073 1
33 1 6 1 "RMS(OBS, PRED)" CB 83 0.984 1
34 1 6 1 "RMS(OBS, PRED)" H 80 0.463 1
35 1 6 1 "RMS(OBS, PRED)" HA 93 0.241 1
36 1 6 1 "RMS(OBS, PRED)" N 80 2.382 1
37 1 7 1 "RMS(OBS, PRED)" C 84 0.914 1
38 1 7 1 "RMS(OBS, PRED)" CA 88 1.071 1
39 1 7 1 "RMS(OBS, PRED)" CB 83 0.968 1
40 1 7 1 "RMS(OBS, PRED)" H 80 0.452 1
41 1 7 1 "RMS(OBS, PRED)" HA 93 0.217 1
42 1 7 1 "RMS(OBS, PRED)" N 80 2.257 1
43 1 8 1 "RMS(OBS, PRED)" C 84 1.012 1
44 1 8 1 "RMS(OBS, PRED)" CA 88 1.101 1
45 1 8 1 "RMS(OBS, PRED)" CB 83 1.054 1
46 1 8 1 "RMS(OBS, PRED)" H 80 0.459 1
47 1 8 1 "RMS(OBS, PRED)" HA 93 0.265 1
48 1 8 1 "RMS(OBS, PRED)" N 80 2.084 1
49 1 9 1 "RMS(OBS, PRED)" C 84 0.964 1
50 1 9 1 "RMS(OBS, PRED)" CA 88 0.979 1
51 1 9 1 "RMS(OBS, PRED)" CB 83 1.042 1
52 1 9 1 "RMS(OBS, PRED)" H 80 0.446 1
53 1 9 1 "RMS(OBS, PRED)" HA 93 0.275 1
54 1 9 1 "RMS(OBS, PRED)" N 80 2.184 1
55 1 10 1 "RMS(OBS, PRED)" C 84 0.913 1
56 1 10 1 "RMS(OBS, PRED)" CA 88 1.039 1
57 1 10 1 "RMS(OBS, PRED)" CB 83 0.733 1
58 1 10 1 "RMS(OBS, PRED)" H 80 0.460 1
59 1 10 1 "RMS(OBS, PRED)" HA 93 0.229 1
60 1 10 1 "RMS(OBS, PRED)" N 80 2.289 1
61 1 11 1 "RMS(OBS, PRED)" C 84 0.973 1
62 1 11 1 "RMS(OBS, PRED)" CA 88 0.958 1
63 1 11 1 "RMS(OBS, PRED)" CB 83 0.970 1
64 1 11 1 "RMS(OBS, PRED)" H 80 0.467 1
65 1 11 1 "RMS(OBS, PRED)" HA 93 0.201 1
66 1 11 1 "RMS(OBS, PRED)" N 80 2.478 1
67 1 12 1 "RMS(OBS, PRED)" C 84 1.009 1
68 1 12 1 "RMS(OBS, PRED)" CA 88 1.114 1
69 1 12 1 "RMS(OBS, PRED)" CB 83 1.046 1
70 1 12 1 "RMS(OBS, PRED)" H 80 0.479 1
71 1 12 1 "RMS(OBS, PRED)" HA 93 0.253 1
72 1 12 1 "RMS(OBS, PRED)" N 80 2.255 1
73 1 13 1 "RMS(OBS, PRED)" C 84 0.983 1
74 1 13 1 "RMS(OBS, PRED)" CA 88 1.124 1
75 1 13 1 "RMS(OBS, PRED)" CB 83 0.905 1
76 1 13 1 "RMS(OBS, PRED)" H 80 0.434 1
77 1 13 1 "RMS(OBS, PRED)" HA 93 0.254 1
78 1 13 1 "RMS(OBS, PRED)" N 80 2.117 1
79 1 14 1 "RMS(OBS, PRED)" C 84 0.968 1
80 1 14 1 "RMS(OBS, PRED)" CA 88 1.151 1
81 1 14 1 "RMS(OBS, PRED)" CB 83 0.860 1
82 1 14 1 "RMS(OBS, PRED)" H 80 0.510 1
83 1 14 1 "RMS(OBS, PRED)" HA 93 0.215 1
84 1 14 1 "RMS(OBS, PRED)" N 80 2.380 1
85 1 15 1 "RMS(OBS, PRED)" C 84 0.906 1
86 1 15 1 "RMS(OBS, PRED)" CA 88 1.028 1
87 1 15 1 "RMS(OBS, PRED)" CB 83 0.813 1
88 1 15 1 "RMS(OBS, PRED)" H 80 0.443 1
89 1 15 1 "RMS(OBS, PRED)" HA 93 0.229 1
90 1 15 1 "RMS(OBS, PRED)" N 80 2.244 1
91 1 16 1 "RMS(OBS, PRED)" C 84 1.027 1
92 1 16 1 "RMS(OBS, PRED)" CA 88 1.122 1
93 1 16 1 "RMS(OBS, PRED)" CB 83 0.945 1
94 1 16 1 "RMS(OBS, PRED)" H 80 0.470 1
95 1 16 1 "RMS(OBS, PRED)" HA 93 0.235 1
96 1 16 1 "RMS(OBS, PRED)" N 80 2.245 1
97 1 17 1 "RMS(OBS, PRED)" C 84 0.905 1
98 1 17 1 "RMS(OBS, PRED)" CA 88 1.113 1
99 1 17 1 "RMS(OBS, PRED)" CB 83 0.845 1
100 1 17 1 "RMS(OBS, PRED)" H 80 0.467 1
101 1 17 1 "RMS(OBS, PRED)" HA 93 0.245 1
102 1 17 1 "RMS(OBS, PRED)" N 80 2.089 1
103 1 18 1 "RMS(OBS, PRED)" C 84 1.039 1
104 1 18 1 "RMS(OBS, PRED)" CA 88 1.070 1
105 1 18 1 "RMS(OBS, PRED)" CB 83 1.085 1
106 1 18 1 "RMS(OBS, PRED)" H 80 0.429 1
107 1 18 1 "RMS(OBS, PRED)" HA 93 0.244 1
108 1 18 1 "RMS(OBS, PRED)" N 80 2.317 1
109 1 19 1 "RMS(OBS, PRED)" C 84 1.089 1
110 1 19 1 "RMS(OBS, PRED)" CA 88 1.105 1
111 1 19 1 "RMS(OBS, PRED)" CB 83 1.023 1
112 1 19 1 "RMS(OBS, PRED)" H 80 0.469 1
113 1 19 1 "RMS(OBS, PRED)" HA 93 0.269 1
114 1 19 1 "RMS(OBS, PRED)" N 80 2.319 1
115 1 20 1 "RMS(OBS, PRED)" C 84 0.993 1
116 1 20 1 "RMS(OBS, PRED)" CA 88 1.059 1
117 1 20 1 "RMS(OBS, PRED)" CB 83 0.950 1
118 1 20 1 "RMS(OBS, PRED)" H 80 0.425 1
119 1 20 1 "RMS(OBS, PRED)" HA 93 0.248 1
120 1 20 1 "RMS(OBS, PRED)" N 80 2.155 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 12 12 LYS HA H 12 4.317 4.645 -0.328 2
1 6 . 1 1 A 12 12 LYS C C 12 176.329 175.594 0.735 2
1 7 . 1 1 A 12 12 LYS CA C 12 56.223 56.074 0.149 2
1 8 . 1 1 A 12 12 LYS CB C 12 33.117 34.268 -1.151 2
1 12 . 1 1 A 13 13 LYS H H 13 8.394 8.335 0.059 2
1 13 . 1 1 A 13 13 LYS HA H 13 4.273 4.444 -0.171 2
1 18 . 1 1 A 13 13 LYS C C 13 175.990 175.409 0.581 2
1 19 . 1 1 A 13 13 LYS CA C 13 56.222 56.542 -0.320 2
1 20 . 1 1 A 13 13 LYS CB C 13 33.223 33.764 -0.541 2
1 24 . 1 1 A 13 13 LYS N N 13 123.900 121.880 2.020 2
1 25 . 1 1 A 14 14 ASP H H 14 8.625 8.484 0.141 2
1 26 . 1 1 A 14 14 ASP HA H 14 4.902 4.774 0.128 2
1 29 . 1 1 A 14 14 ASP CA C 14 51.958 52.843 -0.885 2
1 30 . 1 1 A 14 14 ASP CB C 14 41.422 40.786 0.636 2
1 31 . 1 1 A 14 14 ASP N N 14 124.861 119.943 4.918 2
1 32 . 1 1 A 15 15 PRO HA H 15 4.442 4.532 -0.091 2
1 39 . 1 1 A 15 15 PRO C C 15 176.634 176.493 0.141 2
1 40 . 1 1 A 15 15 PRO CA C 15 63.606 63.261 0.345 2
1 41 . 1 1 A 15 15 PRO CB C 15 32.323 32.213 0.110 2
1 44 . 1 1 A 16 16 ASN H H 16 8.414 8.348 0.066 2
1 45 . 1 1 A 16 16 ASN HA H 16 4.683 4.819 -0.136 2
1 50 . 1 1 A 16 16 ASN C C 16 174.365 174.743 -0.378 2
1 51 . 1 1 A 16 16 ASN CA C 16 52.946 53.703 -0.757 2
1 52 . 1 1 A 16 16 ASN CB C 16 39.266 39.869 -0.603 2
1 53 . 1 1 A 16 16 ASN N N 16 116.873 116.565 0.308 2
1 55 . 1 1 A 17 17 GLU H H 17 7.712 7.995 -0.283 2
1 56 . 1 1 A 17 17 GLU HA H 17 3.233 3.625 -0.392 2
1 61 . 1 1 A 17 17 GLU C C 17 174.415 174.788 -0.373 2
1 62 . 1 1 A 17 17 GLU CA C 17 54.423 55.345 -0.922 2
1 63 . 1 1 A 17 17 GLU CB C 17 29.911 29.920 -0.009 2
1 65 . 1 1 A 17 17 GLU N N 17 122.673 119.870 2.803 2
1 66 . 1 1 A 18 18 PRO HA H 18 4.384 4.525 -0.141 2
1 73 . 1 1 A 18 18 PRO CA C 18 62.896 62.688 0.208 2
1 74 . 1 1 A 18 18 PRO CB C 18 31.963 32.287 -0.324 2
1 77 . 1 1 A 19 19 GLN H H 19 8.654 8.439 0.215 2
1 78 . 1 1 A 19 19 GLN HA H 19 4.293 4.608 -0.315 2
1 85 . 1 1 A 19 19 GLN C C 19 175.384 174.754 0.630 2
1 86 . 1 1 A 19 19 GLN CA C 19 55.057 55.079 -0.022 2
1 87 . 1 1 A 19 19 GLN CB C 19 29.793 30.018 -0.225 2
1 89 . 1 1 A 19 19 GLN N N 19 122.106 119.754 2.352 2
1 91 . 1 1 A 20 20 LYS H H 20 8.383 8.244 0.139 2
1 92 . 1 1 A 20 20 LYS HA H 20 3.393 2.859 0.534 2
1 101 . 1 1 A 20 20 LYS C C 20 174.706 174.972 -0.266 2
1 102 . 1 1 A 20 20 LYS CA C 20 54.951 53.665 1.286 2
1 103 . 1 1 A 20 20 LYS CB C 20 31.802 32.589 -0.787 2
1 107 . 1 1 A 20 20 LYS N N 20 124.861 125.246 -0.385 2
1 108 . 1 1 A 21 21 PRO HA H 21 4.500 4.488 0.012 2
1 115 . 1 1 A 21 21 PRO C C 21 176.741 176.400 0.341 2
1 116 . 1 1 A 21 21 PRO CA C 21 62.396 62.490 -0.094 2
1 117 . 1 1 A 21 21 PRO CB C 21 32.392 32.164 0.228 2
1 120 . 1 1 A 22 22 VAL H H 22 7.850 8.157 -0.307 2
1 121 . 1 1 A 22 22 VAL HA H 22 4.303 4.448 -0.145 2
1 129 . 1 1 A 22 22 VAL C C 22 175.615 175.402 0.213 2
1 130 . 1 1 A 22 22 VAL CA C 22 60.967 59.827 1.140 2
1 131 . 1 1 A 22 22 VAL CB C 22 32.342 34.065 -1.723 2
1 134 . 1 1 A 22 22 VAL N N 22 115.924 116.517 -0.593 2
1 135 . 1 1 A 23 23 SER H H 23 8.125 8.465 -0.340 2
1 136 . 1 1 A 23 23 SER HA H 23 4.433 4.482 -0.049 2
1 139 . 1 1 A 23 23 SER C C 23 173.516 175.514 -1.998 2
1 140 . 1 1 A 23 23 SER CA C 23 57.590 58.560 -0.970 2
1 141 . 1 1 A 23 23 SER CB C 23 65.578 64.194 1.384 2
1 142 . 1 1 A 23 23 SER N N 23 116.922 118.203 -1.281 2
1 143 . 1 1 A 24 24 ALA H H 24 8.707 8.945 -0.238 2
1 144 . 1 1 A 24 24 ALA HA H 24 4.046 4.246 -0.200 2
1 148 . 1 1 A 24 24 ALA C C 24 178.727 179.116 -0.389 2
1 149 . 1 1 A 24 24 ALA CA C 24 55.971 55.214 0.757 2
1 150 . 1 1 A 24 24 ALA CB C 24 18.505 18.721 -0.216 2
1 151 . 1 1 A 24 24 ALA N N 24 123.025 126.848 -3.823 2
1 152 . 1 1 A 25 25 TYR H H 25 8.119 8.071 0.048 2
1 153 . 1 1 A 25 25 TYR HA H 25 2.678 2.261 0.417 2
1 160 . 1 1 A 25 25 TYR C C 25 176.253 177.429 -1.176 2
1 161 . 1 1 A 25 25 TYR CA C 25 60.281 60.617 -0.336 2
1 162 . 1 1 A 25 25 TYR CB C 25 37.951 37.952 -0.001 2
1 167 . 1 1 A 25 25 TYR N N 25 115.954 119.130 -3.177 2
1 168 . 1 1 A 26 26 ALA H H 26 7.742 7.747 -0.005 2
1 169 . 1 1 A 26 26 ALA HA H 26 3.758 3.680 0.078 2
1 173 . 1 1 A 26 26 ALA C C 26 181.489 179.492 1.997 2
1 174 . 1 1 A 26 26 ALA CA C 26 54.859 54.485 0.374 2
1 175 . 1 1 A 26 26 ALA CB C 26 18.029 18.297 -0.268 2
1 176 . 1 1 A 26 26 ALA N N 26 121.384 121.248 0.136 2
1 177 . 1 1 A 27 27 LEU H H 27 7.991 8.107 -0.116 2
1 178 . 1 1 A 27 27 LEU HA H 27 4.023 3.990 0.033 2
1 188 . 1 1 A 27 27 LEU C C 27 178.625 177.955 0.670 2
1 189 . 1 1 A 27 27 LEU CA C 27 57.876 57.688 0.188 2
1 190 . 1 1 A 27 27 LEU CB C 27 42.103 41.543 0.560 2
1 194 . 1 1 A 27 27 LEU N N 27 120.626 118.956 1.670 2
1 195 . 1 1 A 28 28 PHE H H 28 7.706 7.491 0.215 2
1 196 . 1 1 A 28 28 PHE HA H 28 3.653 4.027 -0.374 2
1 204 . 1 1 A 28 28 PHE C C 28 178.640 177.420 1.220 2
1 205 . 1 1 A 28 28 PHE CA C 28 61.653 59.459 2.194 2
1 206 . 1 1 A 28 28 PHE CB C 28 39.060 39.530 -0.470 2
1 212 . 1 1 A 28 28 PHE N N 28 122.656 119.406 3.250 2
1 213 . 1 1 A 29 29 PHE H H 29 9.246 8.129 1.117 2
1 214 . 1 1 A 29 29 PHE HA H 29 3.483 3.848 -0.365 2
1 222 . 1 1 A 29 29 PHE C C 29 177.478 177.581 -0.103 2
1 223 . 1 1 A 29 29 PHE CA C 29 61.126 60.763 0.363 2
1 224 . 1 1 A 29 29 PHE CB C 29 38.837 38.774 0.063 2
1 230 . 1 1 A 29 29 PHE N N 29 123.986 119.453 4.533 2
1 231 . 1 1 A 30 30 ARG H H 30 8.044 8.111 -0.067 2
1 232 . 1 1 A 30 30 ARG HA H 30 4.046 4.184 -0.138 2
1 239 . 1 1 A 30 30 ARG C C 30 179.156 177.406 1.750 2
1 240 . 1 1 A 30 30 ARG CA C 30 59.542 58.139 1.403 2
1 241 . 1 1 A 30 30 ARG CB C 30 30.053 29.426 0.627 2
1 244 . 1 1 A 30 30 ARG N N 30 119.141 118.311 0.830 2
1 245 . 1 1 A 31 31 ASP H H 31 7.712 7.947 -0.235 2
1 246 . 1 1 A 31 31 ASP HA H 31 4.523 4.532 -0.009 2
1 249 . 1 1 A 31 31 ASP C C 31 177.850 177.829 0.021 2
1 250 . 1 1 A 31 31 ASP CA C 31 56.516 56.344 0.172 2
1 251 . 1 1 A 31 31 ASP CB C 31 40.664 41.112 -0.448 2
1 252 . 1 1 A 31 31 ASP N N 31 118.527 119.452 -0.925 2
1 253 . 1 1 A 32 32 THR H H 32 7.704 7.141 0.563 2
1 254 . 1 1 A 32 32 THR HA H 32 3.953 3.882 0.071 2
1 259 . 1 1 A 32 32 THR C C 32 175.637 175.679 -0.042 2
1 260 . 1 1 A 32 32 THR CA C 32 65.030 65.634 -0.604 2
1 261 . 1 1 A 32 32 THR CB C 32 69.195 68.600 0.595 2
1 263 . 1 1 A 32 32 THR N N 32 115.935 115.264 0.671 2
1 264 . 1 1 A 33 33 GLN H H 33 8.361 7.928 0.432 2
1 265 . 1 1 A 33 33 GLN HA H 33 3.373 3.639 -0.266 2
1 272 . 1 1 A 33 33 GLN C C 33 176.526 177.846 -1.320 2
1 273 . 1 1 A 33 33 GLN CA C 33 60.000 58.886 1.114 2
1 274 . 1 1 A 33 33 GLN CB C 33 26.827 28.256 -1.429 2
1 276 . 1 1 A 33 33 GLN N N 33 120.539 119.545 0.994 2
1 278 . 1 1 A 34 34 ALA H H 34 8.053 8.008 0.045 2
1 279 . 1 1 A 34 34 ALA HA H 34 3.964 3.988 -0.024 2
1 283 . 1 1 A 34 34 ALA C C 34 180.762 179.896 0.866 2
1 284 . 1 1 A 34 34 ALA CA C 34 55.338 55.053 0.285 2
1 285 . 1 1 A 34 34 ALA CB C 34 17.724 18.455 -0.731 2
1 286 . 1 1 A 34 34 ALA N N 34 120.505 120.668 -0.163 2
1 287 . 1 1 A 35 35 ALA H H 35 7.763 8.068 -0.305 2
1 288 . 1 1 A 35 35 ALA HA H 35 4.135 4.078 0.057 2
1 292 . 1 1 A 35 35 ALA C C 35 180.801 180.005 0.796 2
1 293 . 1 1 A 35 35 ALA CA C 35 54.635 55.009 -0.374 2
1 294 . 1 1 A 35 35 ALA CB C 35 17.888 18.345 -0.457 2
1 295 . 1 1 A 35 35 ALA N N 35 122.109 120.280 1.829 2
1 296 . 1 1 A 36 36 ILE H H 36 7.673 7.894 -0.221 2
1 297 . 1 1 A 36 36 ILE HA H 36 3.753 3.632 0.121 2
1 307 . 1 1 A 36 36 ILE C C 36 179.213 177.811 1.402 2
1 308 . 1 1 A 36 36 ILE CA C 36 62.955 64.962 -2.007 2
1 309 . 1 1 A 36 36 ILE CB C 36 36.388 37.607 -1.219 2
1 313 . 1 1 A 36 36 ILE N N 36 118.252 118.899 -0.647 2
1 314 . 1 1 A 37 37 LYS H H 37 8.444 8.371 0.073 2
1 315 . 1 1 A 37 37 LYS HA H 37 3.982 3.988 -0.006 2
1 324 . 1 1 A 37 37 LYS C C 37 178.872 179.361 -0.489 2
1 325 . 1 1 A 37 37 LYS CA C 37 58.715 59.790 -1.075 2
1 326 . 1 1 A 37 37 LYS CB C 37 31.802 32.102 -0.300 2
1 330 . 1 1 A 37 37 LYS N N 37 121.415 119.622 1.793 2
1 331 . 1 1 A 38 38 GLY H H 38 7.873 8.266 -0.393 2
1 332 . 1 1 A 38 38 GLY HA2 H 38 3.849 3.794 0.055 2
1 333 . 1 1 A 38 38 GLY HA3 H 38 3.849 3.797 0.052 2
1 334 . 1 1 A 38 38 GLY C C 38 175.341 175.915 -0.574 2
1 335 . 1 1 A 38 38 GLY CA C 38 46.490 47.288 -0.798 2
1 336 . 1 1 A 38 38 GLY N N 38 104.723 107.191 -2.467 2
1 337 . 1 1 A 39 39 GLN H H 39 7.288 7.624 -0.336 2
1 338 . 1 1 A 39 39 GLN HA H 39 4.313 4.255 0.058 2
1 345 . 1 1 A 39 39 GLN C C 39 175.814 175.954 -0.140 2
1 346 . 1 1 A 39 39 GLN CA C 39 56.482 56.946 -0.464 2
1 347 . 1 1 A 39 39 GLN CB C 39 30.074 29.547 0.527 2
1 349 . 1 1 A 39 39 GLN N N 39 117.295 119.169 -1.874 2
1 351 . 1 1 A 40 40 ASN H H 40 7.780 7.964 -0.184 2
1 352 . 1 1 A 40 40 ASN HA H 40 5.159 5.195 -0.036 2
1 357 . 1 1 A 40 40 ASN C C 40 172.428 173.488 -1.060 2
1 358 . 1 1 A 40 40 ASN CA C 40 50.877 50.320 0.557 2
1 359 . 1 1 A 40 40 ASN CB C 40 39.595 38.787 0.808 2
1 360 . 1 1 A 40 40 ASN N N 40 115.989 117.281 -1.292 2
1 362 . 1 1 A 41 41 PRO HA H 41 4.523 4.336 0.187 2
1 369 . 1 1 A 41 41 PRO C C 41 177.550 177.795 -0.245 2
1 370 . 1 1 A 41 41 PRO CA C 41 64.837 64.403 0.434 2
1 371 . 1 1 A 41 41 PRO CB C 41 32.073 31.878 0.195 2
1 374 . 1 1 A 42 42 ASN H H 42 8.363 8.578 -0.215 2
1 375 . 1 1 A 42 42 ASN HA H 42 4.853 4.511 0.342 2
1 380 . 1 1 A 42 42 ASN C C 42 175.387 176.442 -1.055 2
1 381 . 1 1 A 42 42 ASN CA C 42 52.753 55.382 -2.628 2
1 382 . 1 1 A 42 42 ASN CB C 42 38.879 38.388 0.491 2
1 383 . 1 1 A 42 42 ASN N N 42 114.677 115.894 -1.217 2
1 385 . 1 1 A 43 43 ALA H H 43 7.533 7.303 0.231 2
1 386 . 1 1 A 43 43 ALA HA H 43 4.443 4.288 0.155 2
1 390 . 1 1 A 43 43 ALA C C 43 178.490 177.059 1.432 2
1 391 . 1 1 A 43 43 ALA CA C 43 52.647 52.518 0.129 2
1 392 . 1 1 A 43 43 ALA CB C 43 19.314 19.303 0.011 2
1 393 . 1 1 A 43 43 ALA N N 43 124.307 121.934 2.373 2
1 394 . 1 1 A 44 44 THR H H 44 8.698 8.599 0.099 2
1 395 . 1 1 A 44 44 THR HA H 44 4.482 4.659 -0.177 2
1 400 . 1 1 A 44 44 THR C C 44 175.408 175.224 0.184 2
1 401 . 1 1 A 44 44 THR CA C 44 60.791 60.742 0.049 2
1 402 . 1 1 A 44 44 THR CB C 44 71.516 69.889 1.627 2
1 404 . 1 1 A 44 44 THR N N 44 114.309 113.483 0.826 2
1 405 . 1 1 A 45 45 PHE HA H 45 4.303 4.207 0.096 2
1 410 . 1 1 A 45 45 PHE CA C 45 61.982 61.058 0.924 2
1 411 . 1 1 A 45 45 PHE CB C 45 38.942 38.745 0.197 2
1 414 . 1 1 A 46 46 GLY HA2 H 46 3.962 3.746 0.216 2
1 415 . 1 1 A 46 46 GLY HA3 H 46 3.745 3.802 -0.057 2
1 416 . 1 1 A 46 46 GLY C C 46 176.621 176.289 0.332 2
1 417 . 1 1 A 46 46 GLY CA C 46 46.930 47.259 -0.329 2
1 418 . 1 1 A 47 47 GLU H H 47 7.692 8.111 -0.419 2
1 419 . 1 1 A 47 47 GLU HA H 47 4.053 4.120 -0.067 2
1 424 . 1 1 A 47 47 GLU C C 47 179.472 179.029 0.443 2
1 425 . 1 1 A 47 47 GLU CA C 47 59.296 59.289 0.007 2
1 426 . 1 1 A 47 47 GLU CB C 47 29.769 29.722 0.047 2
1 428 . 1 1 A 47 47 GLU N N 47 123.040 121.714 1.326 2
1 429 . 1 1 A 48 48 VAL H H 48 8.504 8.001 0.503 2
1 430 . 1 1 A 48 48 VAL HA H 48 3.413 3.608 -0.195 2
1 438 . 1 1 A 48 48 VAL C C 48 177.640 178.202 -0.562 2
1 439 . 1 1 A 48 48 VAL CA C 48 67.159 66.327 0.832 2
1 440 . 1 1 A 48 48 VAL CB C 48 31.820 31.585 0.235 2
1 443 . 1 1 A 48 48 VAL N N 48 120.194 120.764 -0.570 2
1 444 . 1 1 A 49 49 SER H H 49 8.442 8.283 0.159 2
1 445 . 1 1 A 49 49 SER HA H 49 4.093 4.288 -0.195 2
1 448 . 1 1 A 49 49 SER C C 49 176.016 176.540 -0.524 2
1 449 . 1 1 A 49 49 SER CA C 49 62.500 61.698 0.802 2
1 450 . 1 1 A 49 49 SER CB C 49 62.653 63.109 -0.456 2
1 451 . 1 1 A 49 49 SER N N 49 113.484 115.246 -1.762 2
1 452 . 1 1 A 50 50 LYS H H 50 7.474 7.940 -0.466 2
1 453 . 1 1 A 50 50 LYS HA H 50 4.132 4.074 0.058 2
1 462 . 1 1 A 50 50 LYS C C 50 179.463 178.911 0.552 2
1 463 . 1 1 A 50 50 LYS CA C 50 59.525 59.264 0.261 2
1 464 . 1 1 A 50 50 LYS CB C 50 32.606 32.294 0.312 2
1 468 . 1 1 A 50 50 LYS N N 50 120.865 121.126 -0.261 2
1 469 . 1 1 A 51 51 ILE H H 51 7.853 7.556 0.297 2
1 470 . 1 1 A 51 51 ILE HA H 51 3.793 3.793 0.000 2
1 480 . 1 1 A 51 51 ILE C C 51 179.105 178.072 1.033 2
1 481 . 1 1 A 51 51 ILE CA C 51 65.488 64.790 0.698 2
1 482 . 1 1 A 51 51 ILE CB C 51 38.603 37.979 0.624 2
1 486 . 1 1 A 51 51 ILE N N 51 121.720 120.176 1.544 2
1 487 . 1 1 A 52 52 VAL H H 52 8.703 7.878 0.825 2
1 488 . 1 1 A 52 52 VAL HA H 52 3.659 3.633 0.026 2
1 496 . 1 1 A 52 52 VAL C C 52 178.262 178.207 0.055 2
1 497 . 1 1 A 52 52 VAL CA C 52 67.388 66.786 0.602 2
1 498 . 1 1 A 52 52 VAL CB C 52 31.185 31.460 -0.275 2
1 501 . 1 1 A 52 52 VAL N N 52 121.006 120.069 0.937 2
1 502 . 1 1 A 53 53 ALA H H 53 8.343 8.619 -0.276 2
1 503 . 1 1 A 53 53 ALA HA H 53 4.412 4.327 0.085 2
1 507 . 1 1 A 53 53 ALA C C 53 180.884 180.033 0.851 2
1 508 . 1 1 A 53 53 ALA CA C 53 56.271 55.589 0.682 2
1 509 . 1 1 A 53 53 ALA CB C 53 17.888 18.483 -0.594 2
1 510 . 1 1 A 53 53 ALA N N 53 122.645 122.276 0.369 2
1 511 . 1 1 A 54 54 SER H H 54 7.905 8.019 -0.114 2
1 512 . 1 1 A 54 54 SER HA H 54 4.415 4.289 0.126 2
1 515 . 1 1 A 54 54 SER C C 54 177.818 176.920 0.898 2
1 516 . 1 1 A 54 54 SER CA C 54 61.635 61.611 0.024 2
1 517 . 1 1 A 54 54 SER CB C 54 62.947 63.129 -0.182 2
1 518 . 1 1 A 54 54 SER N N 54 114.062 114.141 -0.079 2
1 519 . 1 1 A 55 55 MET H H 55 8.553 8.538 0.015 2
1 520 . 1 1 A 55 55 MET HA H 55 4.194 4.224 -0.030 2
1 528 . 1 1 A 55 55 MET C C 55 179.156 178.521 0.635 2
1 529 . 1 1 A 55 55 MET CA C 55 59.190 58.777 0.413 2
1 530 . 1 1 A 55 55 MET CB C 55 33.551 33.724 -0.173 2
1 533 . 1 1 A 55 55 MET N N 55 123.394 119.734 3.660 2
1 534 . 1 1 A 56 56 TRP H H 56 8.864 8.874 -0.010 2
1 535 . 1 1 A 56 56 TRP HA H 56 3.899 3.842 0.057 2
1 544 . 1 1 A 56 56 TRP C C 56 178.213 178.298 -0.085 2
1 545 . 1 1 A 56 56 TRP CA C 56 59.806 61.052 -1.246 2
1 546 . 1 1 A 56 56 TRP CB C 56 30.281 29.606 0.675 2
1 552 . 1 1 A 56 56 TRP N N 56 121.428 122.677 -1.248 2
1 554 . 1 1 A 57 57 ASP H H 57 8.061 8.272 -0.211 2
1 555 . 1 1 A 57 57 ASP HA H 57 4.253 4.373 -0.120 2
1 558 . 1 1 A 57 57 ASP C C 57 178.103 177.582 0.521 2
1 559 . 1 1 A 57 57 ASP CA C 57 57.186 56.935 0.251 2
1 560 . 1 1 A 57 57 ASP CB C 57 40.705 40.549 0.156 2
1 561 . 1 1 A 57 57 ASP N N 57 117.661 118.803 -1.142 2
1 562 . 1 1 A 58 58 GLY H H 58 7.481 7.863 -0.382 2
1 563 . 1 1 A 58 58 GLY HA2 H 58 4.202 3.950 0.252 2
1 564 . 1 1 A 58 58 GLY HA3 H 58 3.672 3.985 -0.313 2
1 565 . 1 1 A 58 58 GLY C C 58 174.062 173.530 0.532 2
1 566 . 1 1 A 58 58 GLY CA C 58 44.872 45.337 -0.465 2
1 567 . 1 1 A 58 58 GLY N N 58 103.794 106.590 -2.796 2
1 568 . 1 1 A 59 59 LEU H H 59 7.153 7.229 -0.075 2
1 569 . 1 1 A 59 59 LEU HA H 59 4.123 4.235 -0.112 2
1 579 . 1 1 A 59 59 LEU C C 59 177.880 177.208 0.672 2
1 580 . 1 1 A 59 59 LEU CA C 59 55.114 54.371 0.743 2
1 581 . 1 1 A 59 59 LEU CB C 59 43.149 42.468 0.681 2
1 585 . 1 1 A 59 59 LEU N N 59 123.874 121.291 2.583 2
1 586 . 1 1 A 60 60 GLY H H 60 8.523 8.193 0.330 2
1 587 . 1 1 A 60 60 GLY HA2 H 60 4.091 3.994 0.098 2
1 588 . 1 1 A 60 60 GLY HA3 H 60 3.993 4.005 -0.012 2
1 589 . 1 1 A 60 60 GLY C C 60 174.634 175.026 -0.392 2
1 590 . 1 1 A 60 60 GLY CA C 60 44.995 45.202 -0.207 2
1 591 . 1 1 A 60 60 GLY N N 60 110.475 108.855 1.620 2
1 592 . 1 1 A 61 61 GLU H H 61 8.743 8.705 0.038 2
1 593 . 1 1 A 61 61 GLU HA H 61 3.873 3.833 0.040 2
1 598 . 1 1 A 61 61 GLU C C 61 178.841 178.231 0.611 2
1 599 . 1 1 A 61 61 GLU CA C 61 59.577 59.462 0.115 2
1 600 . 1 1 A 61 61 GLU CB C 61 29.299 29.308 -0.009 2
1 602 . 1 1 A 61 61 GLU N N 61 122.609 121.813 0.796 2
1 603 . 1 1 A 62 62 GLU H H 62 9.063 8.097 0.966 2
1 604 . 1 1 A 62 62 GLU HA H 62 4.033 4.175 -0.142 2
1 609 . 1 1 A 62 62 GLU C C 62 179.086 178.850 0.236 2
1 610 . 1 1 A 62 62 GLU CA C 62 59.841 59.150 0.691 2
1 611 . 1 1 A 62 62 GLU CB C 62 28.660 29.238 -0.578 2
1 613 . 1 1 A 62 62 GLU N N 62 118.089 119.348 -1.259 2
1 614 . 1 1 A 63 63 GLN H H 63 7.563 7.930 -0.367 2
1 615 . 1 1 A 63 63 GLN HA H 63 4.282 4.013 0.269 2
1 622 . 1 1 A 63 63 GLN C C 63 179.406 178.818 0.588 2
1 623 . 1 1 A 63 63 GLN CA C 63 59.050 58.168 0.882 2
1 624 . 1 1 A 63 63 GLN CB C 63 29.089 28.426 0.663 2
1 626 . 1 1 A 63 63 GLN N N 63 118.216 118.976 -0.760 2
1 628 . 1 1 A 64 64 LYS H H 64 8.193 7.896 0.297 2
1 629 . 1 1 A 64 64 LYS HA H 64 3.933 4.002 -0.069 2
1 638 . 1 1 A 64 64 LYS C C 64 179.858 179.193 0.665 2
1 639 . 1 1 A 64 64 LYS CA C 64 60.774 59.365 1.409 2
1 640 . 1 1 A 64 64 LYS CB C 64 33.100 32.097 1.003 2
1 644 . 1 1 A 64 64 LYS N N 64 119.928 120.445 -0.517 2
1 645 . 1 1 A 65 65 GLN H H 65 8.459 8.069 0.391 2
1 646 . 1 1 A 65 65 GLN HA H 65 4.056 4.131 -0.075 2
1 653 . 1 1 A 65 65 GLN C C 65 177.751 178.182 -0.431 2
1 654 . 1 1 A 65 65 GLN CA C 65 58.891 58.662 0.229 2
1 655 . 1 1 A 65 65 GLN CB C 65 28.167 28.418 -0.251 2
1 657 . 1 1 A 65 65 GLN N N 65 117.874 118.315 -0.441 2
1 659 . 1 1 A 66 66 VAL H H 66 7.408 7.858 -0.450 2
1 660 . 1 1 A 66 66 VAL HA H 66 3.653 3.719 -0.066 2
1 668 . 1 1 A 66 66 VAL C C 66 178.900 177.404 1.496 2
1 669 . 1 1 A 66 66 VAL CA C 66 66.860 65.239 1.621 2
1 670 . 1 1 A 66 66 VAL CB C 66 31.784 31.192 0.592 2
1 673 . 1 1 A 66 66 VAL N N 66 119.348 120.066 -0.718 2
1 674 . 1 1 A 67 67 TYR H H 67 7.229 7.643 -0.414 2
1 675 . 1 1 A 67 67 TYR HA H 67 4.151 4.407 -0.256 2
1 682 . 1 1 A 67 67 TYR C C 67 178.776 178.632 0.144 2
1 683 . 1 1 A 67 67 TYR CA C 67 63.307 61.208 2.099 2
1 684 . 1 1 A 67 67 TYR CB C 67 39.308 38.229 1.079 2
1 689 . 1 1 A 67 67 TYR N N 67 117.638 120.828 -3.190 2
1 690 . 1 1 A 68 68 LYS H H 68 8.554 8.233 0.321 2
1 691 . 1 1 A 68 68 LYS HA H 68 4.195 4.303 -0.108 2
1 698 . 1 1 A 68 68 LYS C C 68 179.468 179.442 0.026 2
1 699 . 1 1 A 68 68 LYS CA C 68 60.703 59.123 1.580 2
1 700 . 1 1 A 68 68 LYS CB C 68 32.154 32.540 -0.386 2
1 704 . 1 1 A 68 68 LYS N N 68 121.795 120.193 1.602 2
1 705 . 1 1 A 69 69 LYS H H 69 8.883 7.970 0.914 2
1 706 . 1 1 A 69 69 LYS HA H 69 4.171 4.111 0.060 2
1 715 . 1 1 A 69 69 LYS C C 69 180.214 179.171 1.043 2
1 716 . 1 1 A 69 69 LYS CA C 69 59.824 59.536 0.288 2
1 717 . 1 1 A 69 69 LYS CB C 69 32.072 32.236 -0.164 2
1 721 . 1 1 A 69 69 LYS N N 69 120.539 119.755 0.784 2
1 722 . 1 1 A 70 70 LYS H H 70 7.791 7.806 -0.015 2
1 723 . 1 1 A 70 70 LYS HA H 70 4.211 4.126 0.085 2
1 732 . 1 1 A 70 70 LYS C C 70 179.985 179.205 0.780 2
1 733 . 1 1 A 70 70 LYS CA C 70 60.017 59.188 0.829 2
1 734 . 1 1 A 70 70 LYS CB C 70 33.200 32.351 0.849 2
1 738 . 1 1 A 70 70 LYS N N 70 119.946 119.562 0.384 2
1 739 . 1 1 A 71 71 THR H H 71 8.002 7.913 0.089 2
1 740 . 1 1 A 71 71 THR HA H 71 4.301 3.901 0.400 2
1 745 . 1 1 A 71 71 THR C C 71 176.462 176.602 -0.140 2
1 746 . 1 1 A 71 71 THR CA C 71 66.402 66.821 -0.419 2
1 747 . 1 1 A 71 71 THR CB C 71 68.949 68.601 0.348 2
1 749 . 1 1 A 71 71 THR N N 71 116.183 116.229 -0.046 2
1 750 . 1 1 A 72 72 GLU H H 72 8.295 7.962 0.333 2
1 751 . 1 1 A 72 72 GLU HA H 72 4.143 4.066 0.077 2
1 756 . 1 1 A 72 72 GLU C C 72 179.498 178.919 0.579 2
1 757 . 1 1 A 72 72 GLU CA C 72 59.665 59.231 0.434 2
1 758 . 1 1 A 72 72 GLU CB C 72 29.400 29.453 -0.053 2
1 760 . 1 1 A 72 72 GLU N N 72 123.438 119.617 3.821 2
1 761 . 1 1 A 73 73 ALA H H 73 8.063 7.925 0.138 2
1 762 . 1 1 A 73 73 ALA HA H 73 4.262 4.166 0.096 2
1 766 . 1 1 A 73 73 ALA C C 73 180.639 179.101 1.538 2
1 767 . 1 1 A 73 73 ALA CA C 73 55.268 54.440 0.828 2
1 768 . 1 1 A 73 73 ALA CB C 73 17.824 18.212 -0.388 2
1 769 . 1 1 A 73 73 ALA N N 73 122.231 122.511 -0.280 2
1 770 . 1 1 A 74 74 ALA H H 74 8.093 7.960 0.132 2
1 771 . 1 1 A 74 74 ALA HA H 74 4.320 4.294 0.026 2
1 775 . 1 1 A 74 74 ALA C C 74 181.394 179.662 1.732 2
1 776 . 1 1 A 74 74 ALA CA C 74 54.904 54.057 0.847 2
1 777 . 1 1 A 74 74 ALA CB C 74 18.313 19.114 -0.801 2
1 778 . 1 1 A 74 74 ALA N N 74 121.882 119.613 2.269 2
1 779 . 1 1 A 75 75 LYS H H 75 8.661 8.038 0.623 2
1 780 . 1 1 A 75 75 LYS HA H 75 4.053 4.151 -0.098 2
1 786 . 1 1 A 75 75 LYS C C 75 178.096 178.739 -0.643 2
1 787 . 1 1 A 75 75 LYS CA C 75 60.510 59.427 1.083 2
1 788 . 1 1 A 75 75 LYS CB C 75 32.236 32.349 -0.113 2
1 792 . 1 1 A 75 75 LYS N N 75 121.652 118.058 3.594 2
1 793 . 1 1 A 76 76 LYS H H 76 7.855 8.052 -0.197 2
1 794 . 1 1 A 76 76 LYS HA H 76 4.110 3.973 0.137 2
1 799 . 1 1 A 76 76 LYS C C 76 179.822 179.002 0.820 2
1 800 . 1 1 A 76 76 LYS CA C 76 59.993 59.928 0.065 2
1 801 . 1 1 A 76 76 LYS CB C 76 32.401 32.264 0.137 2
1 805 . 1 1 A 76 76 LYS N N 76 119.219 118.734 0.485 2
1 806 . 1 1 A 77 77 GLU H H 77 7.880 8.190 -0.310 2
1 807 . 1 1 A 77 77 GLU HA H 77 4.233 4.095 0.138 2
1 812 . 1 1 A 77 77 GLU C C 77 178.358 178.241 0.117 2
1 813 . 1 1 A 77 77 GLU CA C 77 58.980 59.292 -0.312 2
1 814 . 1 1 A 77 77 GLU CB C 77 29.235 29.240 -0.005 2
1 816 . 1 1 A 77 77 GLU N N 77 119.640 118.247 1.393 2
1 817 . 1 1 A 78 78 TYR H H 78 8.391 8.112 0.279 2
1 818 . 1 1 A 78 78 TYR HA H 78 4.413 4.103 0.310 2
1 825 . 1 1 A 78 78 TYR C C 78 176.737 177.153 -0.416 2
1 826 . 1 1 A 78 78 TYR CA C 78 60.809 61.406 -0.597 2
1 827 . 1 1 A 78 78 TYR CB C 78 38.239 38.752 -0.513 2
1 832 . 1 1 A 78 78 TYR N N 78 121.464 122.101 -0.637 2
1 833 . 1 1 A 79 79 LEU H H 79 8.203 8.152 0.051 2
1 834 . 1 1 A 79 79 LEU HA H 79 3.764 3.610 0.155 2
1 844 . 1 1 A 79 79 LEU C C 79 180.728 179.041 1.687 2
1 845 . 1 1 A 79 79 LEU CA C 79 58.170 57.860 0.310 2
1 846 . 1 1 A 79 79 LEU CB C 79 41.445 41.442 0.003 2
1 850 . 1 1 A 79 79 LEU N N 79 118.433 119.742 -1.309 2
1 851 . 1 1 A 80 80 LYS H H 80 7.523 7.933 -0.410 2
1 852 . 1 1 A 80 80 LYS HA H 80 4.134 3.860 0.274 2
1 861 . 1 1 A 80 80 LYS C C 80 179.804 179.798 0.006 2
1 862 . 1 1 A 80 80 LYS CA C 80 59.630 60.294 -0.664 2
1 863 . 1 1 A 80 80 LYS CB C 80 32.400 32.326 0.074 2
1 867 . 1 1 A 80 80 LYS N N 80 120.723 117.572 3.151 2
1 868 . 1 1 A 81 81 GLN H H 81 8.473 8.189 0.284 2
1 869 . 1 1 A 81 81 GLN HA H 81 4.144 3.976 0.168 2
1 876 . 1 1 A 81 81 GLN C C 81 179.906 178.393 1.513 2
1 877 . 1 1 A 81 81 GLN CA C 81 58.628 58.870 -0.242 2
1 878 . 1 1 A 81 81 GLN CB C 81 28.273 28.197 0.076 2
1 880 . 1 1 A 81 81 GLN N N 81 120.899 118.940 1.959 2
1 882 . 1 1 A 82 82 LEU H H 82 9.233 7.960 1.273 2
1 883 . 1 1 A 82 82 LEU HA H 82 3.963 4.088 -0.125 2
1 893 . 1 1 A 82 82 LEU C C 82 178.293 178.283 0.010 2
1 894 . 1 1 A 82 82 LEU CA C 82 57.959 58.009 -0.050 2
1 895 . 1 1 A 82 82 LEU CB C 82 42.044 41.376 0.668 2
1 899 . 1 1 A 82 82 LEU N N 82 123.463 121.828 1.635 2
1 900 . 1 1 A 83 83 ALA H H 83 7.732 8.333 -0.601 2
1 901 . 1 1 A 83 83 ALA HA H 83 4.223 3.989 0.234 2
1 905 . 1 1 A 83 83 ALA C C 83 180.853 179.387 1.466 2
1 906 . 1 1 A 83 83 ALA CA C 83 54.944 54.901 0.043 2
1 907 . 1 1 A 83 83 ALA CB C 83 17.765 18.336 -0.571 2
1 908 . 1 1 A 83 83 ALA N N 83 120.956 120.109 0.847 2
1 909 . 1 1 A 84 84 ALA H H 84 7.716 7.571 0.145 2
1 910 . 1 1 A 84 84 ALA HA H 84 4.135 4.211 -0.076 2
1 914 . 1 1 A 84 84 ALA C C 84 180.256 179.035 1.221 2
1 915 . 1 1 A 84 84 ALA CA C 84 55.234 54.671 0.563 2
1 916 . 1 1 A 84 84 ALA CB C 84 17.806 19.048 -1.242 2
1 917 . 1 1 A 84 84 ALA N N 84 121.082 119.719 1.363 2
1 918 . 1 1 A 85 85 TYR H H 85 8.453 8.383 0.070 2
1 919 . 1 1 A 85 85 TYR HA H 85 4.310 4.018 0.292 2
1 926 . 1 1 A 85 85 TYR C C 85 178.538 177.581 0.957 2
1 927 . 1 1 A 85 85 TYR CA C 85 60.862 62.026 -1.164 2
1 928 . 1 1 A 85 85 TYR CB C 85 38.444 38.876 -0.432 2
1 933 . 1 1 A 85 85 TYR N N 85 121.359 120.127 1.232 2
1 934 . 1 1 A 86 86 ARG H H 86 8.734 7.848 0.886 2
1 935 . 1 1 A 86 86 ARG HA H 86 3.713 3.668 0.045 2
1 942 . 1 1 A 86 86 ARG C C 86 178.962 178.751 0.211 2
1 943 . 1 1 A 86 86 ARG CA C 86 59.454 59.380 0.074 2
1 944 . 1 1 A 86 86 ARG CB C 86 29.605 29.953 -0.348 2
1 947 . 1 1 A 86 86 ARG N N 86 119.740 118.508 1.232 2
1 948 . 1 1 A 87 87 ALA H H 87 7.853 8.214 -0.361 2
1 949 . 1 1 A 87 87 ALA HA H 87 4.195 4.022 0.173 2
1 953 . 1 1 A 87 87 ALA C C 87 179.605 179.696 -0.091 2
1 954 . 1 1 A 87 87 ALA CA C 87 54.353 54.955 -0.602 2
1 955 . 1 1 A 87 87 ALA CB C 87 17.971 18.526 -0.555 2
1 956 . 1 1 A 87 87 ALA N N 87 120.667 122.021 -1.354 2
1 957 . 1 1 A 88 88 SER H H 88 7.763 7.598 0.165 2
1 958 . 1 1 A 88 88 SER HA H 88 4.347 4.257 0.090 2
1 961 . 1 1 A 88 88 SER C C 88 175.219 176.825 -1.606 2
1 962 . 1 1 A 88 88 SER CA C 88 60.158 61.475 -1.317 2
1 963 . 1 1 A 88 88 SER CB C 88 63.440 63.138 0.302 2
1 964 . 1 1 A 88 88 SER N N 88 114.332 113.792 0.540 2
1 965 . 1 1 A 89 89 LEU H H 89 7.344 7.840 -0.496 2
1 966 . 1 1 A 89 89 LEU HA H 89 4.163 4.002 0.161 2
1 976 . 1 1 A 89 89 LEU C C 89 178.335 177.474 0.861 2
1 977 . 1 1 A 89 89 LEU CA C 89 56.059 57.568 -1.509 2
1 978 . 1 1 A 89 89 LEU CB C 89 42.062 41.948 0.114 2
1 982 . 1 1 A 89 89 LEU N N 89 121.862 120.215 1.647 2
1 983 . 1 1 A 90 90 VAL H H 90 7.533 7.692 -0.159 2
1 984 . 1 1 A 90 90 VAL HA H 90 4.063 4.062 0.001 2
1 992 . 1 1 A 90 90 VAL C C 90 176.743 175.801 0.942 2
1 993 . 1 1 A 90 90 VAL CA C 90 63.183 61.936 1.247 2
1 994 . 1 1 A 90 90 VAL CB C 90 32.318 32.501 -0.183 2
1 997 . 1 1 A 90 90 VAL N N 90 117.748 116.816 0.932 2
1 998 . 1 1 A 91 91 SER H H 91 8.059 8.467 -0.408 2
1 999 . 1 1 A 91 91 SER HA H 91 4.415 4.520 -0.105 2
1 1002 . 1 1 A 91 91 SER C C 91 174.854 174.282 0.572 2
1 1003 . 1 1 A 91 91 SER CA C 91 58.861 59.091 -0.230 2
1 1004 . 1 1 A 91 91 SER CB C 91 63.810 63.806 0.004 2
1 1005 . 1 1 A 91 91 SER N N 91 117.663 117.309 0.354 2
1 1006 . 1 1 A 92 92 LYS H H 92 8.158 8.074 0.084 2
1 1007 . 1 1 A 92 92 LYS HA H 92 4.329 4.408 -0.079 2
1 1010 . 1 1 A 92 92 LYS C C 92 176.528 175.593 0.935 2
1 1011 . 1 1 A 92 92 LYS CA C 92 56.551 56.506 0.045 2
1 1012 . 1 1 A 92 92 LYS CB C 92 32.771 33.314 -0.543 2
1 1016 . 1 1 A 92 92 LYS N N 92 122.827 122.606 0.221 2
1 1017 . 1 1 A 93 93 SER H H 93 8.186 8.424 -0.238 2
1 1018 . 1 1 A 93 93 SER HA H 93 4.444 4.842 -0.398 2
1 1021 . 1 1 A 93 93 SER C C 93 174.271 173.118 1.153 2
1 1022 . 1 1 A 93 93 SER CA C 93 58.504 57.794 0.710 2
1 1023 . 1 1 A 93 93 SER CB C 93 63.933 64.804 -0.871 2
1 1024 . 1 1 A 93 93 SER N N 93 116.068 117.825 -1.757 2
1 1025 . 1 1 A 94 94 TYR H H 94 8.146 8.706 -0.560 2
1 1026 . 1 1 A 94 94 TYR HA H 94 4.658 4.818 -0.160 2
1 1033 . 1 1 A 94 94 TYR C C 94 176.011 175.489 0.522 2
1 1034 . 1 1 A 94 94 TYR CA C 94 58.135 58.191 -0.056 2
1 1035 . 1 1 A 94 94 TYR CB C 94 38.855 40.611 -1.756 2
1 1040 . 1 1 A 94 94 TYR N N 94 122.150 123.699 -1.549 2
1 1041 . 1 1 A 95 95 THR H H 95 8.024 8.397 -0.373 2
1 1042 . 1 1 A 95 95 THR HA H 95 4.333 4.366 -0.033 2
1 1047 . 1 1 A 95 95 THR C C 95 174.054 173.427 0.627 2
1 1048 . 1 1 A 95 95 THR CA C 95 61.740 63.037 -1.297 2
1 1049 . 1 1 A 95 95 THR CB C 95 69.977 69.685 0.292 2
1 1051 . 1 1 A 95 95 THR N N 95 115.298 115.285 0.013 2
1 1052 . 1 1 A 96 96 ASP H H 96 8.288 8.548 -0.260 2
1 1053 . 1 1 A 96 96 ASP HA H 96 4.663 4.838 -0.175 2
1 1056 . 1 1 A 96 96 ASP C C 96 176.252 175.102 1.150 2
1 1057 . 1 1 A 96 96 ASP CA C 96 54.494 54.292 0.202 2
1 1058 . 1 1 A 96 96 ASP CB C 96 41.404 42.138 -0.734 2
1 1059 . 1 1 A 96 96 ASP N N 96 122.969 123.729 -0.760 2
1 1060 . 1 1 A 97 97 SER H H 97 8.272 8.527 -0.256 2
1 1061 . 1 1 A 97 97 SER HA H 97 4.500 4.751 -0.251 2
1 1063 . 1 1 A 97 97 SER C C 97 174.845 173.763 1.082 2
1 1064 . 1 1 A 97 97 SER CA C 97 58.522 58.352 0.170 2
1 1065 . 1 1 A 97 97 SER CB C 97 63.656 64.499 -0.843 2
1 1066 . 1 1 A 97 97 SER N N 97 116.137 116.882 -0.745 2
1 1067 . 1 1 A 98 98 GLY H H 98 8.289 8.439 -0.150 2
1 1068 . 1 1 A 98 98 GLY HA2 H 98 4.123 4.185 -0.062 2
1 1069 . 1 1 A 98 98 GLY HA3 H 98 4.123 4.189 -0.066 2
1 1070 . 1 1 A 98 98 GLY C C 98 171.920 172.881 -0.961 2
1 1071 . 1 1 A 98 98 GLY CA C 98 44.748 45.270 -0.522 2
1 1072 . 1 1 A 98 98 GLY N N 98 110.751 110.788 -0.037 2
1 1073 . 1 1 A 99 99 PRO HA H 99 4.490 4.574 -0.084 2
1 1080 . 1 1 A 99 99 PRO CA C 99 63.373 63.151 0.222 2
1 1081 . 1 1 A 99 99 PRO CB C 99 32.247 32.622 -0.375 2
stop_
save_