data_10285_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10285
_Entry.PDB_ID 2DA3
_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 8 8 GLY HA2 H 8 4.031 4.173 -0.142 1
1 2 . 1 1 1 A 8 8 GLY HA3 H 8 4.031 4.173 -0.142 1
1 3 . 1 1 1 A 8 8 GLY C C 8 174.729 173.381 1.348 1
1 4 . 1 1 1 A 8 8 GLY CA C 8 45.278 45.755 -0.477 1
1 5 . 1 1 1 A 9 9 THR H H 9 8.248 8.063 0.185 1
1 6 . 1 1 1 A 9 9 THR HA H 9 4.376 4.759 -0.383 1
1 11 . 1 1 1 A 9 9 THR C C 9 175.485 173.075 2.410 1
1 12 . 1 1 1 A 9 9 THR CA C 9 61.837 60.381 1.456 1
1 13 . 1 1 1 A 9 9 THR CB C 9 69.737 71.706 -1.969 1
1 15 . 1 1 1 A 9 9 THR N N 9 112.908 113.834 -0.926 1
1 16 . 1 1 1 A 10 10 GLY H H 10 8.581 8.640 -0.059 1
1 17 . 1 1 1 A 10 10 GLY HA2 H 10 3.985 4.022 -0.037 1
1 18 . 1 1 1 A 10 10 GLY HA3 H 10 3.985 4.023 -0.038 1
1 19 . 1 1 1 A 10 10 GLY C C 10 174.705 173.842 0.863 1
1 20 . 1 1 1 A 10 10 GLY CA C 10 45.455 45.723 -0.268 1
1 21 . 1 1 1 A 10 10 GLY N N 10 111.487 115.801 -4.314 1
1 22 . 1 1 1 A 11 11 GLY H H 11 8.286 8.727 -0.441 1
1 23 . 1 1 1 A 11 11 GLY HA2 H 11 3.958 4.162 -0.204 1
1 24 . 1 1 1 A 11 11 GLY HA3 H 11 3.958 4.163 -0.205 1
1 25 . 1 1 1 A 11 11 GLY C C 11 174.071 173.036 1.035 1
1 26 . 1 1 1 A 11 11 GLY CA C 11 45.101 44.151 0.950 1
1 27 . 1 1 1 A 11 11 GLY N N 11 108.887 109.948 -1.061 1
1 28 . 1 1 1 A 12 12 GLU H H 12 8.333 8.565 -0.232 1
1 29 . 1 1 1 A 12 12 GLU HA H 12 4.271 4.883 -0.612 1
1 34 . 1 1 1 A 12 12 GLU C C 12 176.435 176.414 0.021 1
1 35 . 1 1 1 A 12 12 GLU CA C 12 56.278 54.399 1.879 1
1 36 . 1 1 1 A 12 12 GLU CB C 12 30.358 33.604 -3.246 1
1 38 . 1 1 1 A 12 12 GLU N N 12 120.407 119.937 0.470 1
1 39 . 1 1 1 A 13 13 GLU H H 13 8.546 8.478 0.068 1
1 40 . 1 1 1 A 13 13 GLU HA H 13 4.521 4.316 0.205 1
1 45 . 1 1 1 A 13 13 GLU C C 13 174.648 176.228 -1.580 1
1 46 . 1 1 1 A 13 13 GLU CA C 13 54.687 55.485 -0.798 1
1 47 . 1 1 1 A 13 13 GLU CB C 13 29.688 29.679 0.009 1
1 49 . 1 1 1 A 13 13 GLU N N 13 123.832 122.886 0.946 1
1 50 . 1 1 1 A 14 14 PRO HA H 14 4.375 4.573 -0.198 1
1 57 . 1 1 1 A 14 14 PRO C C 14 177.117 175.297 1.820 1
1 58 . 1 1 1 A 14 14 PRO CA C 14 63.379 62.451 0.928 1
1 59 . 1 1 1 A 14 14 PRO CB C 14 32.003 32.712 -0.709 1
1 62 . 1 1 1 A 15 15 GLN H H 15 8.543 8.529 0.014 1
1 63 . 1 1 1 A 15 15 GLN HA H 15 4.230 4.761 -0.531 1
1 70 . 1 1 1 A 15 15 GLN C C 15 176.459 175.098 1.361 1
1 71 . 1 1 1 A 15 15 GLN CA C 15 56.171 54.939 1.232 1
1 72 . 1 1 1 A 15 15 GLN CB C 15 28.935 29.931 -0.996 1
1 74 . 1 1 1 A 15 15 GLN N N 15 120.153 119.909 0.244 1
1 76 . 1 1 1 A 16 16 ARG H H 16 8.337 8.917 -0.580 1
1 77 . 1 1 1 A 16 16 ARG HA H 16 4.219 5.150 -0.931 1
1 84 . 1 1 1 A 16 16 ARG C C 16 176.216 174.279 1.937 1
1 85 . 1 1 1 A 16 16 ARG CA C 16 56.809 54.480 2.329 1
1 86 . 1 1 1 A 16 16 ARG CB C 16 30.666 33.856 -3.190 1
1 89 . 1 1 1 A 16 16 ARG N N 16 122.090 121.582 0.508 1
1 90 . 1 1 1 A 17 17 ASP H H 17 8.313 8.665 -0.352 1
1 91 . 1 1 1 A 17 17 ASP HA H 17 4.523 4.962 -0.439 1
1 94 . 1 1 1 A 17 17 ASP C C 17 176.727 174.099 2.628 1
1 95 . 1 1 1 A 17 17 ASP CA C 17 54.591 53.460 1.131 1
1 96 . 1 1 1 A 17 17 ASP CB C 17 41.097 44.617 -3.520 1
1 97 . 1 1 1 A 17 17 ASP N N 17 120.664 119.407 1.257 1
1 98 . 1 1 1 A 18 18 LYS H H 18 8.276 8.608 -0.332 1
1 99 . 1 1 1 A 18 18 LYS HA H 18 4.175 4.445 -0.270 1
1 108 . 1 1 1 A 18 18 LYS C C 18 176.971 176.802 0.169 1
1 109 . 1 1 1 A 18 18 LYS CA C 18 56.971 55.293 1.678 1
1 110 . 1 1 1 A 18 18 LYS CB C 18 32.562 31.456 1.106 1
1 114 . 1 1 1 A 18 18 LYS N N 18 122.504 123.424 -0.920 1
1 115 . 1 1 1 A 19 19 ARG H H 19 8.240 7.654 0.586 1
1 116 . 1 1 1 A 19 19 ARG HA H 19 4.205 4.437 -0.232 1
1 123 . 1 1 1 A 19 19 ARG C C 19 176.532 176.436 0.096 1
1 124 . 1 1 1 A 19 19 ARG CA C 19 56.632 57.176 -0.544 1
1 125 . 1 1 1 A 19 19 ARG CB C 19 30.647 31.328 -0.681 1
1 128 . 1 1 1 A 19 19 ARG N N 19 120.296 120.320 -0.024 1
1 129 . 1 1 1 A 20 20 LEU H H 20 8.068 7.284 0.784 1
1 130 . 1 1 1 A 20 20 LEU HA H 20 4.262 4.056 0.206 1
1 140 . 1 1 1 A 20 20 LEU C C 20 177.288 175.816 1.472 1
1 141 . 1 1 1 A 20 20 LEU CA C 20 55.110 55.292 -0.182 1
1 142 . 1 1 1 A 20 20 LEU CB C 20 42.081 41.708 0.373 1
1 146 . 1 1 1 A 20 20 LEU N N 20 121.867 122.937 -1.070 1
1 147 . 1 1 1 A 21 21 ARG H H 21 8.226 8.475 -0.249 1
1 148 . 1 1 1 A 21 21 ARG HA H 21 4.413 4.922 -0.509 1
1 155 . 1 1 1 A 21 21 ARG C C 21 176.313 177.410 -1.097 1
1 156 . 1 1 1 A 21 21 ARG CA C 21 56.194 53.876 2.318 1
1 157 . 1 1 1 A 21 21 ARG CB C 21 30.996 33.502 -2.506 1
1 160 . 1 1 1 A 21 21 ARG N N 21 121.612 125.812 -4.200 1
1 161 . 1 1 1 A 22 22 THR H H 22 8.215 8.572 -0.357 1
1 162 . 1 1 1 A 22 22 THR HA H 22 4.405 4.131 0.274 1
1 167 . 1 1 1 A 22 22 THR C C 22 174.169 175.594 -1.425 1
1 168 . 1 1 1 A 22 22 THR CA C 22 61.963 65.797 -3.834 1
1 169 . 1 1 1 A 22 22 THR CB C 22 69.779 68.543 1.236 1
1 171 . 1 1 1 A 22 22 THR N N 22 114.661 115.943 -1.282 1
1 172 . 1 1 1 A 23 23 THR H H 23 8.087 7.762 0.325 1
1 173 . 1 1 1 A 23 23 THR HA H 23 4.308 4.384 -0.076 1
1 178 . 1 1 1 A 23 23 THR C C 23 173.413 174.160 -0.747 1
1 179 . 1 1 1 A 23 23 THR CA C 23 62.158 62.133 0.025 1
1 180 . 1 1 1 A 23 23 THR CB C 23 69.916 69.859 0.057 1
1 182 . 1 1 1 A 23 23 THR N N 23 118.008 115.722 2.286 1
1 183 . 1 1 1 A 24 24 ILE H H 24 8.110 8.404 -0.294 1
1 184 . 1 1 1 A 24 24 ILE HA H 24 4.200 4.687 -0.487 1
1 194 . 1 1 1 A 24 24 ILE C C 24 176.654 176.098 0.556 1
1 195 . 1 1 1 A 24 24 ILE CA C 24 61.690 60.145 1.545 1
1 196 . 1 1 1 A 24 24 ILE CB C 24 39.487 39.389 0.098 1
1 200 . 1 1 1 A 24 24 ILE N N 24 124.852 124.962 -0.110 1
1 201 . 1 1 1 A 25 25 THR H H 25 9.023 8.408 0.615 1
1 202 . 1 1 1 A 25 25 THR HA H 25 4.564 4.934 -0.370 1
1 207 . 1 1 1 A 25 25 THR C C 25 173.433 174.096 -0.663 1
1 208 . 1 1 1 A 25 25 THR CA C 25 60.759 58.465 2.294 1
1 209 . 1 1 1 A 25 25 THR CB C 25 68.089 69.715 -1.626 1
1 211 . 1 1 1 A 25 25 THR N N 25 120.568 115.935 4.633 1
1 212 . 1 1 1 A 26 26 PRO HA H 26 4.172 4.565 -0.393 1
1 219 . 1 1 1 A 26 26 PRO C C 26 179.237 177.385 1.852 1
1 220 . 1 1 1 A 26 26 PRO CA C 26 65.917 64.506 1.411 1
1 221 . 1 1 1 A 26 26 PRO CB C 26 31.725 31.744 -0.019 1
1 224 . 1 1 1 A 27 27 GLU H H 27 8.722 8.437 0.285 1
1 225 . 1 1 1 A 27 27 GLU HA H 27 4.006 4.262 -0.256 1
1 230 . 1 1 1 A 27 27 GLU C C 27 179.749 178.037 1.712 1
1 231 . 1 1 1 A 27 27 GLU CA C 27 60.353 57.601 2.752 1
1 232 . 1 1 1 A 27 27 GLU CB C 27 28.851 29.989 -1.138 1
1 234 . 1 1 1 A 27 27 GLU N N 27 117.087 117.367 -0.280 1
1 235 . 1 1 1 A 28 28 GLN H H 28 7.666 7.985 -0.319 1
1 236 . 1 1 1 A 28 28 GLN HA H 28 3.767 4.149 -0.382 1
1 243 . 1 1 1 A 28 28 GLN C C 28 177.872 178.040 -0.168 1
1 244 . 1 1 1 A 28 28 GLN CA C 28 58.821 58.040 0.781 1
1 245 . 1 1 1 A 28 28 GLN CB C 28 29.401 28.933 0.468 1
1 247 . 1 1 1 A 28 28 GLN N N 28 119.298 119.551 -0.253 1
1 249 . 1 1 1 A 29 29 LEU H H 29 8.453 8.057 0.396 1
1 250 . 1 1 1 A 29 29 LEU HA H 29 3.484 3.567 -0.083 1
1 260 . 1 1 1 A 29 29 LEU C C 29 178.092 178.699 -0.607 1
1 261 . 1 1 1 A 29 29 LEU CA C 29 57.737 57.702 0.035 1
1 262 . 1 1 1 A 29 29 LEU CB C 29 41.578 41.607 -0.029 1
1 266 . 1 1 1 A 29 29 LEU N N 29 120.145 120.686 -0.541 1
1 267 . 1 1 1 A 30 30 GLU H H 30 7.607 8.315 -0.708 1
1 268 . 1 1 1 A 30 30 GLU HA H 30 4.069 4.099 -0.030 1
1 273 . 1 1 1 A 30 30 GLU C C 30 179.140 179.322 -0.182 1
1 274 . 1 1 1 A 30 30 GLU CA C 30 59.334 59.696 -0.362 1
1 275 . 1 1 1 A 30 30 GLU CB C 30 29.512 29.490 0.022 1
1 277 . 1 1 1 A 30 30 GLU N N 30 116.903 116.537 0.366 1
1 278 . 1 1 1 A 31 31 ILE H H 31 7.070 7.755 -0.685 1
1 279 . 1 1 1 A 31 31 ILE HA H 31 3.692 3.672 0.020 1
1 289 . 1 1 1 A 31 31 ILE C C 31 178.287 178.576 -0.289 1
1 290 . 1 1 1 A 31 31 ILE CA C 31 64.416 65.972 -1.556 1
1 291 . 1 1 1 A 31 31 ILE CB C 31 37.777 38.021 -0.244 1
1 295 . 1 1 1 A 31 31 ILE N N 31 118.947 121.163 -2.216 1
1 296 . 1 1 1 A 32 32 LEU H H 32 8.126 8.054 0.072 1
1 297 . 1 1 1 A 32 32 LEU HA H 32 3.418 3.862 -0.444 1
1 307 . 1 1 1 A 32 32 LEU C C 32 178.311 178.756 -0.445 1
1 308 . 1 1 1 A 32 32 LEU CA C 32 58.497 58.009 0.488 1
1 309 . 1 1 1 A 32 32 LEU CB C 32 38.146 41.064 -2.918 1
1 313 . 1 1 1 A 32 32 LEU N N 32 120.437 118.622 1.815 1
1 314 . 1 1 1 A 33 33 TYR H H 33 8.312 8.511 -0.199 1
1 315 . 1 1 1 A 33 33 TYR HA H 33 4.358 4.668 -0.310 1
1 322 . 1 1 1 A 33 33 TYR C C 33 178.214 178.520 -0.306 1
1 323 . 1 1 1 A 33 33 TYR CA C 33 62.645 60.945 1.700 1
1 324 . 1 1 1 A 33 33 TYR CB C 33 37.807 37.955 -0.148 1
1 329 . 1 1 1 A 33 33 TYR N N 33 117.248 117.936 -0.688 1
1 330 . 1 1 1 A 34 34 GLN H H 34 7.750 8.705 -0.955 1
1 331 . 1 1 1 A 34 34 GLN HA H 34 3.967 3.913 0.054 1
1 338 . 1 1 1 A 34 34 GLN C C 34 180.065 179.261 0.804 1
1 339 . 1 1 1 A 34 34 GLN CA C 34 59.143 59.472 -0.329 1
1 340 . 1 1 1 A 34 34 GLN CB C 34 27.781 28.774 -0.993 1
1 342 . 1 1 1 A 34 34 GLN N N 34 117.509 118.078 -0.569 1
1 344 . 1 1 1 A 35 35 LYS H H 35 8.381 8.326 0.055 1
1 345 . 1 1 1 A 35 35 LYS HA H 35 4.132 4.198 -0.066 1
1 354 . 1 1 1 A 35 35 LYS C C 35 179.456 178.566 0.890 1
1 355 . 1 1 1 A 35 35 LYS CA C 35 57.839 58.742 -0.903 1
1 356 . 1 1 1 A 35 35 LYS CB C 35 31.487 32.764 -1.277 1
1 360 . 1 1 1 A 35 35 LYS N N 35 117.671 120.298 -2.627 1
1 361 . 1 1 1 A 36 36 TYR H H 36 9.036 8.613 0.423 1
1 362 . 1 1 1 A 36 36 TYR HA H 36 4.164 4.734 -0.570 1
1 369 . 1 1 1 A 36 36 TYR C C 36 176.630 177.528 -0.898 1
1 370 . 1 1 1 A 36 36 TYR CA C 36 61.726 61.464 0.262 1
1 371 . 1 1 1 A 36 36 TYR CB C 36 38.579 38.445 0.134 1
1 376 . 1 1 1 A 36 36 TYR N N 36 124.434 122.903 1.531 1
1 377 . 1 1 1 A 37 37 LEU H H 37 7.848 8.962 -1.114 1
1 378 . 1 1 1 A 37 37 LEU HA H 37 3.918 3.784 0.134 1
1 388 . 1 1 1 A 37 37 LEU C C 37 179.334 179.629 -0.295 1
1 389 . 1 1 1 A 37 37 LEU CA C 37 56.827 58.056 -1.229 1
1 390 . 1 1 1 A 37 37 LEU CB C 37 42.069 41.688 0.381 1
1 394 . 1 1 1 A 37 37 LEU N N 37 116.192 120.089 -3.897 1
1 395 . 1 1 1 A 38 38 LEU H H 38 7.230 7.287 -0.057 1
1 396 . 1 1 1 A 38 38 LEU HA H 38 4.150 4.251 -0.101 1
1 406 . 1 1 1 A 38 38 LEU C C 38 178.116 176.149 1.967 1
1 407 . 1 1 1 A 38 38 LEU CA C 38 56.915 56.803 0.112 1
1 408 . 1 1 1 A 38 38 LEU CB C 38 42.336 42.340 -0.004 1
1 412 . 1 1 1 A 38 38 LEU N N 38 118.422 113.222 5.200 1
1 413 . 1 1 1 A 39 39 ASP H H 39 7.543 8.288 -0.745 1
1 414 . 1 1 1 A 39 39 ASP HA H 39 4.364 4.964 -0.600 1
1 417 . 1 1 1 A 39 39 ASP C C 39 174.778 175.860 -1.082 1
1 418 . 1 1 1 A 39 39 ASP CA C 39 54.731 52.975 1.756 1
1 419 . 1 1 1 A 39 39 ASP CB C 39 41.134 42.368 -1.234 1
1 420 . 1 1 1 A 39 39 ASP N N 39 117.417 120.045 -2.628 1
1 421 . 1 1 1 A 40 40 SER H H 40 8.240 8.735 -0.495 1
1 422 . 1 1 1 A 40 40 SER HA H 40 3.984 4.638 -0.654 1
1 425 . 1 1 1 A 40 40 SER C C 40 174.169 174.339 -0.170 1
1 426 . 1 1 1 A 40 40 SER CA C 40 58.825 58.732 0.093 1
1 427 . 1 1 1 A 40 40 SER CB C 40 63.964 63.890 0.074 1
1 428 . 1 1 1 A 40 40 SER N N 40 119.077 121.635 -2.558 1
1 429 . 1 1 1 A 41 41 ASN H H 41 8.711 7.697 1.014 1
1 430 . 1 1 1 A 41 41 ASN HA H 41 5.007 5.271 -0.264 1
1 435 . 1 1 1 A 41 41 ASN C C 41 171.078 172.354 -1.276 1
1 436 . 1 1 1 A 41 41 ASN CA C 41 51.291 50.846 0.445 1
1 437 . 1 1 1 A 41 41 ASN CB C 41 39.815 39.535 0.280 1
1 438 . 1 1 1 A 41 41 ASN N N 41 119.546 119.432 0.114 1
1 440 . 1 1 1 A 42 42 PRO HA H 42 4.408 4.700 -0.292 1
1 447 . 1 1 1 A 42 42 PRO C C 42 177.028 175.971 1.057 1
1 448 . 1 1 1 A 42 42 PRO CA C 42 62.678 62.601 0.077 1
1 449 . 1 1 1 A 42 42 PRO CB C 42 31.869 32.637 -0.768 1
1 452 . 1 1 1 A 43 43 THR H H 43 7.797 8.372 -0.575 1
1 453 . 1 1 1 A 43 43 THR HA H 43 4.205 4.678 -0.473 1
1 458 . 1 1 1 A 43 43 THR C C 43 174.729 175.397 -0.668 1
1 459 . 1 1 1 A 43 43 THR CA C 43 60.690 60.071 0.619 1
1 460 . 1 1 1 A 43 43 THR CB C 43 71.138 70.723 0.415 1
1 462 . 1 1 1 A 43 43 THR N N 43 111.399 116.789 -5.390 1
1 463 . 1 1 1 A 44 44 ARG H H 44 8.718 8.917 -0.199 1
1 464 . 1 1 1 A 44 44 ARG HA H 44 3.863 3.919 -0.056 1
1 471 . 1 1 1 A 44 44 ARG C C 44 178.384 178.628 -0.244 1
1 472 . 1 1 1 A 44 44 ARG CA C 44 60.014 60.037 -0.023 1
1 473 . 1 1 1 A 44 44 ARG CB C 44 29.512 29.869 -0.357 1
1 476 . 1 1 1 A 44 44 ARG N N 44 120.640 127.416 -6.776 1
1 477 . 1 1 1 A 45 45 LYS H H 45 8.142 7.867 0.275 1
1 478 . 1 1 1 A 45 45 LYS HA H 45 4.070 4.012 0.058 1
1 487 . 1 1 1 A 45 45 LYS C C 45 179.334 178.558 0.776 1
1 488 . 1 1 1 A 45 45 LYS CA C 45 59.170 59.385 -0.215 1
1 489 . 1 1 1 A 45 45 LYS CB C 45 32.457 32.338 0.119 1
1 493 . 1 1 1 A 45 45 LYS N N 45 117.851 119.990 -2.139 1
1 494 . 1 1 1 A 46 46 MET H H 46 7.560 8.145 -0.585 1
1 495 . 1 1 1 A 46 46 MET HA H 46 4.329 4.126 0.203 1
1 503 . 1 1 1 A 46 46 MET C C 46 178.774 178.898 -0.124 1
1 504 . 1 1 1 A 46 46 MET CA C 46 57.799 58.861 -1.062 1
1 505 . 1 1 1 A 46 46 MET CB C 46 32.210 32.705 -0.495 1
1 508 . 1 1 1 A 46 46 MET N N 46 119.433 118.336 1.097 1
1 509 . 1 1 1 A 47 47 LEU H H 47 8.624 8.129 0.495 1
1 510 . 1 1 1 A 47 47 LEU HA H 47 3.758 3.769 -0.011 1
1 520 . 1 1 1 A 47 47 LEU C C 47 178.701 178.700 0.001 1
1 521 . 1 1 1 A 47 47 LEU CA C 47 58.648 58.092 0.556 1
1 522 . 1 1 1 A 47 47 LEU CB C 47 42.248 41.305 0.943 1
1 526 . 1 1 1 A 47 47 LEU N N 47 120.980 119.575 1.405 1
1 527 . 1 1 1 A 48 48 ASP H H 48 7.891 8.291 -0.400 1
1 528 . 1 1 1 A 48 48 ASP HA H 48 4.275 4.324 -0.049 1
1 531 . 1 1 1 A 48 48 ASP C C 48 178.798 178.166 0.632 1
1 532 . 1 1 1 A 48 48 ASP CA C 48 57.662 57.353 0.309 1
1 533 . 1 1 1 A 48 48 ASP CB C 48 40.347 41.362 -1.015 1
1 534 . 1 1 1 A 48 48 ASP N N 48 119.025 119.766 -0.741 1
1 535 . 1 1 1 A 49 49 HIS H H 49 7.760 7.998 -0.238 1
1 536 . 1 1 1 A 49 49 HIS HA H 49 4.390 4.259 0.131 1
1 540 . 1 1 1 A 49 49 HIS C C 49 178.287 177.092 1.195 1
1 541 . 1 1 1 A 49 49 HIS CA C 49 59.930 60.004 -0.074 1
1 542 . 1 1 1 A 49 49 HIS CB C 49 30.348 30.125 0.223 1
1 544 . 1 1 1 A 49 49 HIS N N 49 120.629 118.996 1.633 1
1 545 . 1 1 1 A 50 50 ILE H H 50 8.934 8.655 0.279 1
1 546 . 1 1 1 A 50 50 ILE HA H 50 3.619 3.669 -0.050 1
1 556 . 1 1 1 A 50 50 ILE C C 50 177.410 178.360 -0.950 1
1 557 . 1 1 1 A 50 50 ILE CA C 50 65.779 65.676 0.103 1
1 558 . 1 1 1 A 50 50 ILE CB C 50 38.622 37.731 0.891 1
1 562 . 1 1 1 A 50 50 ILE N N 50 120.913 120.170 0.743 1
1 563 . 1 1 1 A 51 51 ALA H H 51 8.423 8.028 0.395 1
1 564 . 1 1 1 A 51 51 ALA HA H 51 3.859 4.143 -0.284 1
1 568 . 1 1 1 A 51 51 ALA C C 51 179.213 179.826 -0.613 1
1 569 . 1 1 1 A 51 51 ALA CA C 51 56.348 54.543 1.805 1
1 570 . 1 1 1 A 51 51 ALA CB C 51 17.292 18.234 -0.942 1
1 571 . 1 1 1 A 51 51 ALA N N 51 120.695 120.761 -0.066 1
1 572 . 1 1 1 A 52 52 HIS H H 52 7.735 8.222 -0.487 1
1 573 . 1 1 1 A 52 52 HIS HA H 52 4.273 4.163 0.110 1
1 577 . 1 1 1 A 52 52 HIS C C 52 177.799 177.182 0.617 1
1 578 . 1 1 1 A 52 52 HIS CA C 52 59.406 59.184 0.222 1
1 579 . 1 1 1 A 52 52 HIS CB C 52 29.842 29.879 -0.037 1
1 581 . 1 1 1 A 52 52 HIS N N 52 115.822 118.372 -2.550 1
1 582 . 1 1 1 A 53 53 GLU H H 53 8.299 8.363 -0.064 1
1 583 . 1 1 1 A 53 53 GLU HA H 53 3.842 3.947 -0.105 1
1 588 . 1 1 1 A 53 53 GLU C C 53 178.652 178.295 0.357 1
1 589 . 1 1 1 A 53 53 GLU CA C 53 59.434 59.337 0.097 1
1 590 . 1 1 1 A 53 53 GLU CB C 53 30.204 29.174 1.030 1
1 592 . 1 1 1 A 53 53 GLU N N 53 120.073 117.793 2.280 1
1 593 . 1 1 1 A 54 54 VAL H H 54 8.446 7.909 0.537 1
1 594 . 1 1 1 A 54 54 VAL HA H 54 4.150 3.984 0.166 1
1 602 . 1 1 1 A 54 54 VAL C C 54 175.899 176.819 -0.920 1
1 603 . 1 1 1 A 54 54 VAL CA C 54 62.001 64.348 -2.347 1
1 604 . 1 1 1 A 54 54 VAL CB C 54 33.000 31.752 1.248 1
1 607 . 1 1 1 A 54 54 VAL N N 54 112.194 118.229 -6.035 1
1 608 . 1 1 1 A 55 55 GLY H H 55 7.879 8.475 -0.596 1
1 609 . 1 1 1 A 55 55 GLY HA2 H 55 3.975 3.863 0.112 1
1 610 . 1 1 1 A 55 55 GLY HA3 H 55 3.814 3.894 -0.080 1
1 611 . 1 1 1 A 55 55 GLY C C 55 174.461 174.035 0.426 1
1 612 . 1 1 1 A 55 55 GLY CA C 55 46.551 46.461 0.090 1
1 613 . 1 1 1 A 55 55 GLY N N 55 111.306 109.819 1.487 1
1 614 . 1 1 1 A 56 56 LEU H H 56 7.766 7.438 0.328 1
1 615 . 1 1 1 A 56 56 LEU HA H 56 4.825 4.835 -0.010 1
1 625 . 1 1 1 A 56 56 LEU C C 56 175.704 175.661 0.043 1
1 626 . 1 1 1 A 56 56 LEU CA C 56 52.223 53.553 -1.330 1
1 627 . 1 1 1 A 56 56 LEU CB C 56 47.913 45.537 2.376 1
1 631 . 1 1 1 A 56 56 LEU N N 56 119.685 120.954 -1.269 1
1 632 . 1 1 1 A 57 57 LYS H H 57 8.268 8.480 -0.212 1
1 633 . 1 1 1 A 57 57 LYS HA H 57 4.212 4.143 0.069 1
1 642 . 1 1 1 A 57 57 LYS C C 57 178.555 177.649 0.906 1
1 643 . 1 1 1 A 57 57 LYS CA C 57 56.375 57.247 -0.872 1
1 644 . 1 1 1 A 57 57 LYS CB C 57 32.750 32.527 0.223 1
1 648 . 1 1 1 A 57 57 LYS N N 57 118.380 125.275 -6.895 1
1 649 . 1 1 1 A 58 58 LYS H H 58 8.853 8.962 -0.109 1
1 650 . 1 1 1 A 58 58 LYS HA H 58 3.670 3.811 -0.141 1
1 659 . 1 1 1 A 58 58 LYS C C 58 178.652 178.292 0.360 1
1 660 . 1 1 1 A 58 58 LYS CA C 58 61.026 60.594 0.432 1
1 661 . 1 1 1 A 58 58 LYS CB C 58 31.655 32.358 -0.703 1
1 665 . 1 1 1 A 58 58 LYS N N 58 123.883 126.566 -2.683 1
1 666 . 1 1 1 A 59 59 ARG H H 59 8.834 7.708 1.126 1
1 667 . 1 1 1 A 59 59 ARG HA H 59 4.120 4.118 0.002 1
1 674 . 1 1 1 A 59 59 ARG C C 59 177.872 178.859 -0.987 1
1 675 . 1 1 1 A 59 59 ARG CA C 59 58.851 58.679 0.172 1
1 676 . 1 1 1 A 59 59 ARG CB C 59 29.832 29.800 0.032 1
1 679 . 1 1 1 A 59 59 ARG N N 59 117.315 119.197 -1.882 1
1 680 . 1 1 1 A 60 60 VAL H H 60 6.892 8.105 -1.213 1
1 681 . 1 1 1 A 60 60 VAL HA H 60 3.677 3.771 -0.094 1
1 689 . 1 1 1 A 60 60 VAL C C 60 178.701 178.541 0.160 1
1 690 . 1 1 1 A 60 60 VAL CA C 60 65.741 65.916 -0.175 1
1 691 . 1 1 1 A 60 60 VAL CB C 60 31.520 31.688 -0.168 1
1 694 . 1 1 1 A 60 60 VAL N N 60 117.560 119.648 -2.088 1
1 695 . 1 1 1 A 61 61 VAL H H 61 7.394 8.188 -0.794 1
1 696 . 1 1 1 A 61 61 VAL HA H 61 3.647 3.714 -0.067 1
1 704 . 1 1 1 A 61 61 VAL C C 61 177.385 178.172 -0.787 1
1 705 . 1 1 1 A 61 61 VAL CA C 61 67.232 66.814 0.418 1
1 706 . 1 1 1 A 61 61 VAL CB C 61 32.125 31.246 0.879 1
1 709 . 1 1 1 A 61 61 VAL N N 61 119.625 121.027 -1.402 1
1 710 . 1 1 1 A 62 62 GLN H H 62 8.681 8.397 0.284 1
1 711 . 1 1 1 A 62 62 GLN HA H 62 4.047 4.013 0.034 1
1 718 . 1 1 1 A 62 62 GLN C C 62 178.798 178.620 0.178 1
1 719 . 1 1 1 A 62 62 GLN CA C 62 60.169 58.947 1.222 1
1 720 . 1 1 1 A 62 62 GLN CB C 62 28.935 28.732 0.203 1
1 722 . 1 1 1 A 62 62 GLN N N 62 119.803 119.913 -0.110 1
1 724 . 1 1 1 A 63 63 VAL H H 63 8.279 8.454 -0.175 1
1 725 . 1 1 1 A 63 63 VAL HA H 63 3.703 3.611 0.092 1
1 733 . 1 1 1 A 63 63 VAL C C 63 177.263 178.094 -0.831 1
1 734 . 1 1 1 A 63 63 VAL CA C 63 66.384 66.409 -0.025 1
1 735 . 1 1 1 A 63 63 VAL CB C 63 31.983 31.765 0.218 1
1 738 . 1 1 1 A 63 63 VAL N N 63 120.104 119.252 0.852 1
1 739 . 1 1 1 A 64 64 TRP H H 64 8.376 8.195 0.181 1
1 740 . 1 1 1 A 64 64 TRP HA H 64 4.015 4.209 -0.194 1
1 749 . 1 1 1 A 64 64 TRP C C 64 180.309 177.922 2.387 1
1 750 . 1 1 1 A 64 64 TRP CA C 64 63.421 60.598 2.823 1
1 751 . 1 1 1 A 64 64 TRP CB C 64 28.382 29.938 -1.556 1
1 757 . 1 1 1 A 64 64 TRP N N 64 122.121 121.517 0.604 1
1 759 . 1 1 1 A 65 65 PHE H H 65 9.032 8.130 0.902 1
1 760 . 1 1 1 A 65 65 PHE HA H 65 3.662 4.331 -0.669 1
1 768 . 1 1 1 A 65 65 PHE C C 65 178.214 178.774 -0.560 1
1 769 . 1 1 1 A 65 65 PHE CA C 65 63.919 61.093 2.826 1
1 770 . 1 1 1 A 65 65 PHE CB C 65 39.512 39.591 -0.079 1
1 776 . 1 1 1 A 65 65 PHE N N 65 120.975 116.850 4.125 1
1 777 . 1 1 1 A 66 66 GLN H H 66 8.021 8.067 -0.046 1
1 778 . 1 1 1 A 66 66 GLN HA H 66 3.957 4.069 -0.112 1
1 785 . 1 1 1 A 66 66 GLN C C 66 179.066 177.892 1.174 1
1 786 . 1 1 1 A 66 66 GLN CA C 66 59.426 58.684 0.742 1
1 787 . 1 1 1 A 66 66 GLN CB C 66 28.536 28.166 0.370 1
1 789 . 1 1 1 A 66 66 GLN N N 66 117.887 117.036 0.851 1
1 791 . 1 1 1 A 67 67 ASN H H 67 8.807 8.094 0.713 1
1 792 . 1 1 1 A 67 67 ASN HA H 67 4.331 4.491 -0.160 1
1 797 . 1 1 1 A 67 67 ASN C C 67 177.775 177.721 0.054 1
1 798 . 1 1 1 A 67 67 ASN CA C 67 55.461 56.038 -0.577 1
1 799 . 1 1 1 A 67 67 ASN CB C 67 37.718 38.276 -0.558 1
1 800 . 1 1 1 A 67 67 ASN N N 67 119.312 118.471 0.841 1
1 802 . 1 1 1 A 68 68 THR H H 68 8.092 7.383 0.709 1
1 803 . 1 1 1 A 68 68 THR HA H 68 3.262 3.486 -0.224 1
1 808 . 1 1 1 A 68 68 THR C C 68 175.972 176.256 -0.284 1
1 809 . 1 1 1 A 68 68 THR CA C 68 66.903 66.810 0.093 1
1 810 . 1 1 1 A 68 68 THR CB C 68 67.800 67.453 0.347 1
1 812 . 1 1 1 A 68 68 THR N N 68 120.500 116.992 3.508 1
1 813 . 1 1 1 A 69 69 ARG H H 69 8.154 8.097 0.057 1
1 814 . 1 1 1 A 69 69 ARG HA H 69 4.362 4.216 0.146 1
1 821 . 1 1 1 A 69 69 ARG C C 69 179.432 178.719 0.713 1
1 822 . 1 1 1 A 69 69 ARG CA C 69 59.805 59.995 -0.190 1
1 823 . 1 1 1 A 69 69 ARG CB C 69 31.490 30.370 1.120 1
1 826 . 1 1 1 A 69 69 ARG N N 69 121.451 120.499 0.952 1
1 827 . 1 1 1 A 70 70 ALA H H 70 7.686 7.764 -0.078 1
1 828 . 1 1 1 A 70 70 ALA HA H 70 4.107 4.058 0.049 1
1 832 . 1 1 1 A 70 70 ALA C C 70 179.724 180.207 -0.483 1
1 833 . 1 1 1 A 70 70 ALA CA C 70 54.512 54.992 -0.480 1
1 834 . 1 1 1 A 70 70 ALA CB C 70 18.187 18.493 -0.306 1
1 835 . 1 1 1 A 70 70 ALA N N 70 119.887 121.658 -1.771 1
1 836 . 1 1 1 A 71 71 ARG H H 71 7.588 7.570 0.018 1
1 837 . 1 1 1 A 71 71 ARG HA H 71 4.073 4.079 -0.006 1
1 844 . 1 1 1 A 71 71 ARG C C 71 177.775 179.165 -1.390 1
1 845 . 1 1 1 A 71 71 ARG CA C 71 57.849 59.550 -1.701 1
1 846 . 1 1 1 A 71 71 ARG CB C 71 30.419 30.065 0.354 1
1 849 . 1 1 1 A 71 71 ARG N N 71 117.554 117.369 0.185 1
1 850 . 1 1 1 A 72 72 GLU H H 72 7.776 8.318 -0.542 1
1 851 . 1 1 1 A 72 72 GLU HA H 72 4.129 4.082 0.047 1
1 856 . 1 1 1 A 72 72 GLU C C 72 177.190 179.200 -2.010 1
1 857 . 1 1 1 A 72 72 GLU CA C 72 57.625 59.156 -1.531 1
1 858 . 1 1 1 A 72 72 GLU CB C 72 29.815 29.517 0.298 1
1 860 . 1 1 1 A 72 72 GLU N N 72 119.019 119.661 -0.642 1
1 861 . 1 1 1 A 73 73 ARG H H 73 7.956 8.591 -0.635 1
1 862 . 1 1 1 A 73 73 ARG HA H 73 4.228 4.098 0.130 1
1 869 . 1 1 1 A 73 73 ARG C C 73 176.581 176.447 0.134 1
1 870 . 1 1 1 A 73 73 ARG CA C 73 56.773 59.134 -2.361 1
1 871 . 1 1 1 A 73 73 ARG CB C 73 30.254 29.874 0.380 1
1 874 . 1 1 1 A 73 73 ARG N N 73 119.948 118.794 1.154 1
1 875 . 1 1 1 A 74 74 LYS H H 74 8.155 7.737 0.418 1
1 876 . 1 1 1 A 74 74 LYS HA H 74 4.329 4.073 0.256 1
1 885 . 1 1 1 A 74 74 LYS C C 74 176.703 176.131 0.572 1
1 886 . 1 1 1 A 74 74 LYS CA C 74 56.458 57.310 -0.852 1
1 887 . 1 1 1 A 74 74 LYS CB C 74 32.825 33.036 -0.211 1
1 891 . 1 1 1 A 74 74 LYS N N 74 121.577 121.679 -0.102 1
1 892 . 1 1 1 A 75 75 SER H H 75 8.246 8.634 -0.388 1
1 893 . 1 1 1 A 75 75 SER HA H 75 4.474 4.151 0.323 1
1 896 . 1 1 1 A 75 75 SER C C 75 174.486 175.273 -0.787 1
1 897 . 1 1 1 A 75 75 SER CA C 75 58.365 59.832 -1.467 1
1 898 . 1 1 1 A 75 75 SER CB C 75 63.967 62.963 1.004 1
1 899 . 1 1 1 A 75 75 SER N N 75 116.340 121.909 -5.569 1
1 900 . 1 1 1 A 76 76 GLY H H 76 8.205 8.883 -0.678 1
1 901 . 1 1 1 A 76 76 GLY HA2 H 76 4.118 4.073 0.045 1
1 902 . 1 1 1 A 76 76 GLY HA3 H 76 4.118 4.075 0.043 1
1 903 . 1 1 1 A 76 76 GLY C C 76 171.758 174.661 -2.903 1
1 904 . 1 1 1 A 76 76 GLY CA C 76 44.661 46.033 -1.372 1
1 905 . 1 1 1 A 76 76 GLY N N 76 110.555 114.783 -4.228 1
1 906 . 1 1 1 A 77 77 PRO HA H 77 4.450 4.556 -0.106 1
1 913 . 1 1 1 A 77 77 PRO C C 77 177.458 175.236 2.222 1
1 914 . 1 1 1 A 77 77 PRO CA C 77 63.249 62.678 0.571 1
1 915 . 1 1 1 A 77 77 PRO CB C 77 32.180 32.363 -0.183 1
1 918 . 1 1 1 A 78 78 SER H H 78 8.525 8.588 -0.063 1
1 919 . 1 1 1 A 78 78 SER HA H 78 4.471 4.804 -0.333 1
1 922 . 1 1 1 A 78 78 SER C C 78 174.648 172.873 1.775 1
1 923 . 1 1 1 A 78 78 SER CA C 78 58.460 57.225 1.235 1
1 924 . 1 1 1 A 78 78 SER CB C 78 63.885 64.650 -0.765 1
1 925 . 1 1 1 A 78 78 SER N N 78 116.381 117.634 -1.253 1
1 926 . 1 1 1 A 79 79 SER H H 79 8.309 9.132 -0.823 1
1 927 . 1 1 1 A 79 79 SER HA H 79 4.457 4.792 -0.335 1
1 930 . 1 1 1 A 79 79 SER C C 79 173.925 174.742 -0.817 1
1 931 . 1 1 1 A 79 79 SER CA C 79 58.401 58.245 0.156 1
1 932 . 1 1 1 A 79 79 SER CB C 79 64.132 63.113 1.019 1
1 933 . 1 1 1 A 79 79 SER N N 79 117.741 125.043 -7.302 1
1 1 . 2 1 1 A 8 8 GLY HA2 H 8 4.031 4.150 -0.119 1
1 2 . 2 1 1 A 8 8 GLY HA3 H 8 4.031 4.150 -0.119 1
1 3 . 2 1 1 A 8 8 GLY C C 8 174.729 172.848 1.881 1
1 4 . 2 1 1 A 8 8 GLY CA C 8 45.278 45.194 0.084 1
1 5 . 2 1 1 A 9 9 THR H H 9 8.248 8.505 -0.257 1
1 6 . 2 1 1 A 9 9 THR HA H 9 4.376 4.876 -0.500 1
1 11 . 2 1 1 A 9 9 THR C C 9 175.485 174.615 0.870 1
1 12 . 2 1 1 A 9 9 THR CA C 9 61.837 61.037 0.800 1
1 13 . 2 1 1 A 9 9 THR CB C 9 69.737 69.412 0.325 1
1 15 . 2 1 1 A 9 9 THR N N 9 112.908 117.782 -4.874 1
1 16 . 2 1 1 A 10 10 GLY H H 10 8.581 8.392 0.189 1
1 17 . 2 1 1 A 10 10 GLY HA2 H 10 3.985 4.049 -0.064 1
1 18 . 2 1 1 A 10 10 GLY HA3 H 10 3.985 4.050 -0.065 1
1 19 . 2 1 1 A 10 10 GLY C C 10 174.705 172.751 1.954 1
1 20 . 2 1 1 A 10 10 GLY CA C 10 45.455 43.936 1.519 1
1 21 . 2 1 1 A 10 10 GLY N N 10 111.487 115.764 -4.277 1
1 22 . 2 1 1 A 11 11 GLY H H 11 8.286 8.363 -0.077 1
1 23 . 2 1 1 A 11 11 GLY HA2 H 11 3.958 4.179 -0.221 1
1 24 . 2 1 1 A 11 11 GLY HA3 H 11 3.958 4.179 -0.221 1
1 25 . 2 1 1 A 11 11 GLY C C 11 174.071 172.884 1.187 1
1 26 . 2 1 1 A 11 11 GLY CA C 11 45.101 45.730 -0.629 1
1 27 . 2 1 1 A 11 11 GLY N N 11 108.887 107.435 1.452 1
1 28 . 2 1 1 A 12 12 GLU H H 12 8.333 8.533 -0.200 1
1 29 . 2 1 1 A 12 12 GLU HA H 12 4.271 4.912 -0.641 1
1 34 . 2 1 1 A 12 12 GLU C C 12 176.435 175.672 0.763 1
1 35 . 2 1 1 A 12 12 GLU CA C 12 56.278 55.168 1.110 1
1 36 . 2 1 1 A 12 12 GLU CB C 12 30.358 32.297 -1.939 1
1 38 . 2 1 1 A 12 12 GLU N N 12 120.407 119.831 0.576 1
1 39 . 2 1 1 A 13 13 GLU H H 13 8.546 8.822 -0.276 1
1 40 . 2 1 1 A 13 13 GLU HA H 13 4.521 4.849 -0.328 1
1 45 . 2 1 1 A 13 13 GLU C C 13 174.648 173.852 0.796 1
1 46 . 2 1 1 A 13 13 GLU CA C 13 54.687 53.107 1.580 1
1 47 . 2 1 1 A 13 13 GLU CB C 13 29.688 31.989 -2.301 1
1 49 . 2 1 1 A 13 13 GLU N N 13 123.832 123.920 -0.088 1
1 50 . 2 1 1 A 14 14 PRO HA H 14 4.375 4.596 -0.221 1
1 57 . 2 1 1 A 14 14 PRO C C 14 177.117 176.756 0.361 1
1 58 . 2 1 1 A 14 14 PRO CA C 14 63.379 62.896 0.483 1
1 59 . 2 1 1 A 14 14 PRO CB C 14 32.003 31.640 0.363 1
1 62 . 2 1 1 A 15 15 GLN H H 15 8.543 8.360 0.183 1
1 63 . 2 1 1 A 15 15 GLN HA H 15 4.230 4.184 0.046 1
1 70 . 2 1 1 A 15 15 GLN C C 15 176.459 174.929 1.530 1
1 71 . 2 1 1 A 15 15 GLN CA C 15 56.171 56.592 -0.421 1
1 72 . 2 1 1 A 15 15 GLN CB C 15 28.935 28.930 0.005 1
1 74 . 2 1 1 A 15 15 GLN N N 15 120.153 121.927 -1.774 1
1 76 . 2 1 1 A 16 16 ARG H H 16 8.337 8.481 -0.144 1
1 77 . 2 1 1 A 16 16 ARG HA H 16 4.219 4.750 -0.531 1
1 84 . 2 1 1 A 16 16 ARG C C 16 176.216 175.331 0.885 1
1 85 . 2 1 1 A 16 16 ARG CA C 16 56.809 55.022 1.787 1
1 86 . 2 1 1 A 16 16 ARG CB C 16 30.666 33.499 -2.833 1
1 89 . 2 1 1 A 16 16 ARG N N 16 122.090 126.756 -4.666 1
1 90 . 2 1 1 A 17 17 ASP H H 17 8.313 9.011 -0.698 1
1 91 . 2 1 1 A 17 17 ASP HA H 17 4.523 4.273 0.250 1
1 94 . 2 1 1 A 17 17 ASP C C 17 176.727 178.443 -1.716 1
1 95 . 2 1 1 A 17 17 ASP CA C 17 54.591 57.899 -3.308 1
1 96 . 2 1 1 A 17 17 ASP CB C 17 41.097 40.221 0.876 1
1 97 . 2 1 1 A 17 17 ASP N N 17 120.664 124.055 -3.391 1
1 98 . 2 1 1 A 18 18 LYS H H 18 8.276 7.856 0.420 1
1 99 . 2 1 1 A 18 18 LYS HA H 18 4.175 3.957 0.218 1
1 108 . 2 1 1 A 18 18 LYS C C 18 176.971 179.084 -2.113 1
1 109 . 2 1 1 A 18 18 LYS CA C 18 56.971 59.253 -2.282 1
1 110 . 2 1 1 A 18 18 LYS CB C 18 32.562 31.956 0.606 1
1 114 . 2 1 1 A 18 18 LYS N N 18 122.504 121.024 1.480 1
1 115 . 2 1 1 A 19 19 ARG H H 19 8.240 7.985 0.255 1
1 116 . 2 1 1 A 19 19 ARG HA H 19 4.205 3.981 0.224 1
1 123 . 2 1 1 A 19 19 ARG C C 19 176.532 177.029 -0.497 1
1 124 . 2 1 1 A 19 19 ARG CA C 19 56.632 58.710 -2.078 1
1 125 . 2 1 1 A 19 19 ARG CB C 19 30.647 29.852 0.795 1
1 128 . 2 1 1 A 19 19 ARG N N 19 120.296 119.700 0.596 1
1 129 . 2 1 1 A 20 20 LEU H H 20 8.068 7.175 0.893 1
1 130 . 2 1 1 A 20 20 LEU HA H 20 4.262 4.167 0.095 1
1 140 . 2 1 1 A 20 20 LEU C C 20 177.288 175.933 1.355 1
1 141 . 2 1 1 A 20 20 LEU CA C 20 55.110 55.721 -0.611 1
1 142 . 2 1 1 A 20 20 LEU CB C 20 42.081 42.478 -0.397 1
1 146 . 2 1 1 A 20 20 LEU N N 20 121.867 121.453 0.414 1
1 147 . 2 1 1 A 21 21 ARG H H 21 8.226 8.568 -0.342 1
1 148 . 2 1 1 A 21 21 ARG HA H 21 4.413 4.891 -0.478 1
1 155 . 2 1 1 A 21 21 ARG C C 21 176.313 176.107 0.206 1
1 156 . 2 1 1 A 21 21 ARG CA C 21 56.194 53.794 2.400 1
1 157 . 2 1 1 A 21 21 ARG CB C 21 30.996 34.396 -3.400 1
1 160 . 2 1 1 A 21 21 ARG N N 21 121.612 120.885 0.727 1
1 161 . 2 1 1 A 22 22 THR H H 22 8.215 8.395 -0.180 1
1 162 . 2 1 1 A 22 22 THR HA H 22 4.405 4.190 0.215 1
1 167 . 2 1 1 A 22 22 THR C C 22 174.169 174.456 -0.287 1
1 168 . 2 1 1 A 22 22 THR CA C 22 61.963 65.326 -3.363 1
1 169 . 2 1 1 A 22 22 THR CB C 22 69.779 69.162 0.617 1
1 171 . 2 1 1 A 22 22 THR N N 22 114.661 117.465 -2.804 1
1 172 . 2 1 1 A 23 23 THR H H 23 8.087 7.540 0.547 1
1 173 . 2 1 1 A 23 23 THR HA H 23 4.308 4.416 -0.108 1
1 178 . 2 1 1 A 23 23 THR C C 23 173.413 173.554 -0.141 1
1 179 . 2 1 1 A 23 23 THR CA C 23 62.158 61.671 0.487 1
1 180 . 2 1 1 A 23 23 THR CB C 23 69.916 70.586 -0.670 1
1 182 . 2 1 1 A 23 23 THR N N 23 118.008 111.869 6.139 1
1 183 . 2 1 1 A 24 24 ILE H H 24 8.110 8.648 -0.538 1
1 184 . 2 1 1 A 24 24 ILE HA H 24 4.200 4.958 -0.758 1
1 194 . 2 1 1 A 24 24 ILE C C 24 176.654 175.734 0.920 1
1 195 . 2 1 1 A 24 24 ILE CA C 24 61.690 59.743 1.947 1
1 196 . 2 1 1 A 24 24 ILE CB C 24 39.487 42.026 -2.539 1
1 200 . 2 1 1 A 24 24 ILE N N 24 124.852 120.382 4.470 1
1 201 . 2 1 1 A 25 25 THR H H 25 9.023 8.325 0.698 1
1 202 . 2 1 1 A 25 25 THR HA H 25 4.564 4.953 -0.389 1
1 207 . 2 1 1 A 25 25 THR C C 25 173.433 174.202 -0.769 1
1 208 . 2 1 1 A 25 25 THR CA C 25 60.759 58.512 2.247 1
1 209 . 2 1 1 A 25 25 THR CB C 25 68.089 69.777 -1.688 1
1 211 . 2 1 1 A 25 25 THR N N 25 120.568 115.284 5.284 1
1 212 . 2 1 1 A 26 26 PRO HA H 26 4.172 4.557 -0.385 1
1 219 . 2 1 1 A 26 26 PRO C C 26 179.237 177.381 1.856 1
1 220 . 2 1 1 A 26 26 PRO CA C 26 65.917 64.562 1.355 1
1 221 . 2 1 1 A 26 26 PRO CB C 26 31.725 31.737 -0.012 1
1 224 . 2 1 1 A 27 27 GLU H H 27 8.722 8.440 0.282 1
1 225 . 2 1 1 A 27 27 GLU HA H 27 4.006 4.266 -0.260 1
1 230 . 2 1 1 A 27 27 GLU C C 27 179.749 177.978 1.771 1
1 231 . 2 1 1 A 27 27 GLU CA C 27 60.353 57.597 2.756 1
1 232 . 2 1 1 A 27 27 GLU CB C 27 28.851 30.028 -1.177 1
1 234 . 2 1 1 A 27 27 GLU N N 27 117.087 117.373 -0.286 1
1 235 . 2 1 1 A 28 28 GLN H H 28 7.666 7.975 -0.309 1
1 236 . 2 1 1 A 28 28 GLN HA H 28 3.767 4.136 -0.369 1
1 243 . 2 1 1 A 28 28 GLN C C 28 177.872 178.055 -0.183 1
1 244 . 2 1 1 A 28 28 GLN CA C 28 58.821 58.123 0.698 1
1 245 . 2 1 1 A 28 28 GLN CB C 28 29.401 28.882 0.519 1
1 247 . 2 1 1 A 28 28 GLN N N 28 119.298 118.956 0.342 1
1 249 . 2 1 1 A 29 29 LEU H H 29 8.453 7.974 0.479 1
1 250 . 2 1 1 A 29 29 LEU HA H 29 3.484 3.557 -0.073 1
1 260 . 2 1 1 A 29 29 LEU C C 29 178.092 178.702 -0.610 1
1 261 . 2 1 1 A 29 29 LEU CA C 29 57.737 57.669 0.068 1
1 262 . 2 1 1 A 29 29 LEU CB C 29 41.578 41.602 -0.024 1
1 266 . 2 1 1 A 29 29 LEU N N 29 120.145 120.615 -0.470 1
1 267 . 2 1 1 A 30 30 GLU H H 30 7.607 8.354 -0.747 1
1 268 . 2 1 1 A 30 30 GLU HA H 30 4.069 4.113 -0.044 1
1 273 . 2 1 1 A 30 30 GLU C C 30 179.140 179.238 -0.098 1
1 274 . 2 1 1 A 30 30 GLU CA C 30 59.334 59.678 -0.344 1
1 275 . 2 1 1 A 30 30 GLU CB C 30 29.512 29.427 0.085 1
1 277 . 2 1 1 A 30 30 GLU N N 30 116.903 116.535 0.368 1
1 278 . 2 1 1 A 31 31 ILE H H 31 7.070 7.965 -0.895 1
1 279 . 2 1 1 A 31 31 ILE HA H 31 3.692 3.647 0.045 1
1 289 . 2 1 1 A 31 31 ILE C C 31 178.287 178.184 0.103 1
1 290 . 2 1 1 A 31 31 ILE CA C 31 64.416 65.862 -1.446 1
1 291 . 2 1 1 A 31 31 ILE CB C 31 37.777 38.019 -0.242 1
1 295 . 2 1 1 A 31 31 ILE N N 31 118.947 120.851 -1.904 1
1 296 . 2 1 1 A 32 32 LEU H H 32 8.126 7.992 0.134 1
1 297 . 2 1 1 A 32 32 LEU HA H 32 3.418 3.864 -0.446 1
1 307 . 2 1 1 A 32 32 LEU C C 32 178.311 178.663 -0.352 1
1 308 . 2 1 1 A 32 32 LEU CA C 32 58.497 57.989 0.508 1
1 309 . 2 1 1 A 32 32 LEU CB C 32 38.146 41.275 -3.129 1
1 313 . 2 1 1 A 32 32 LEU N N 32 120.437 118.633 1.804 1
1 314 . 2 1 1 A 33 33 TYR H H 33 8.312 8.430 -0.118 1
1 315 . 2 1 1 A 33 33 TYR HA H 33 4.358 4.555 -0.197 1
1 322 . 2 1 1 A 33 33 TYR C C 33 178.214 178.455 -0.241 1
1 323 . 2 1 1 A 33 33 TYR CA C 33 62.645 60.872 1.773 1
1 324 . 2 1 1 A 33 33 TYR CB C 33 37.807 38.174 -0.367 1
1 329 . 2 1 1 A 33 33 TYR N N 33 117.248 117.796 -0.548 1
1 330 . 2 1 1 A 34 34 GLN H H 34 7.750 8.403 -0.653 1
1 331 . 2 1 1 A 34 34 GLN HA H 34 3.967 3.897 0.070 1
1 338 . 2 1 1 A 34 34 GLN C C 34 180.065 179.125 0.940 1
1 339 . 2 1 1 A 34 34 GLN CA C 34 59.143 59.545 -0.402 1
1 340 . 2 1 1 A 34 34 GLN CB C 34 27.781 28.872 -1.091 1
1 342 . 2 1 1 A 34 34 GLN N N 34 117.509 118.115 -0.606 1
1 344 . 2 1 1 A 35 35 LYS H H 35 8.381 8.174 0.207 1
1 345 . 2 1 1 A 35 35 LYS HA H 35 4.132 4.234 -0.102 1
1 354 . 2 1 1 A 35 35 LYS C C 35 179.456 178.964 0.492 1
1 355 . 2 1 1 A 35 35 LYS CA C 35 57.839 58.747 -0.908 1
1 356 . 2 1 1 A 35 35 LYS CB C 35 31.487 32.377 -0.890 1
1 360 . 2 1 1 A 35 35 LYS N N 35 117.671 119.550 -1.879 1
1 361 . 2 1 1 A 36 36 TYR H H 36 9.036 8.673 0.363 1
1 362 . 2 1 1 A 36 36 TYR HA H 36 4.164 4.665 -0.501 1
1 369 . 2 1 1 A 36 36 TYR C C 36 176.630 177.237 -0.607 1
1 370 . 2 1 1 A 36 36 TYR CA C 36 61.726 61.430 0.296 1
1 371 . 2 1 1 A 36 36 TYR CB C 36 38.579 38.410 0.169 1
1 376 . 2 1 1 A 36 36 TYR N N 36 124.434 123.182 1.252 1
1 377 . 2 1 1 A 37 37 LEU H H 37 7.848 9.077 -1.229 1
1 378 . 2 1 1 A 37 37 LEU HA H 37 3.918 4.000 -0.082 1
1 388 . 2 1 1 A 37 37 LEU C C 37 179.334 178.758 0.576 1
1 389 . 2 1 1 A 37 37 LEU CA C 37 56.827 57.770 -0.943 1
1 390 . 2 1 1 A 37 37 LEU CB C 37 42.069 41.831 0.238 1
1 394 . 2 1 1 A 37 37 LEU N N 37 116.192 120.037 -3.845 1
1 395 . 2 1 1 A 38 38 LEU H H 38 7.230 7.386 -0.156 1
1 396 . 2 1 1 A 38 38 LEU HA H 38 4.150 4.435 -0.285 1
1 406 . 2 1 1 A 38 38 LEU C C 38 178.116 176.406 1.710 1
1 407 . 2 1 1 A 38 38 LEU CA C 38 56.915 55.224 1.691 1
1 408 . 2 1 1 A 38 38 LEU CB C 38 42.336 42.742 -0.406 1
1 412 . 2 1 1 A 38 38 LEU N N 38 118.422 112.668 5.754 1
1 413 . 2 1 1 A 39 39 ASP H H 39 7.543 7.692 -0.149 1
1 414 . 2 1 1 A 39 39 ASP HA H 39 4.364 4.840 -0.476 1
1 417 . 2 1 1 A 39 39 ASP C C 39 174.778 175.722 -0.944 1
1 418 . 2 1 1 A 39 39 ASP CA C 39 54.731 54.335 0.396 1
1 419 . 2 1 1 A 39 39 ASP CB C 39 41.134 42.581 -1.447 1
1 420 . 2 1 1 A 39 39 ASP N N 39 117.417 118.798 -1.381 1
1 421 . 2 1 1 A 40 40 SER H H 40 8.240 8.648 -0.408 1
1 422 . 2 1 1 A 40 40 SER HA H 40 3.984 4.761 -0.777 1
1 425 . 2 1 1 A 40 40 SER C C 40 174.169 174.836 -0.667 1
1 426 . 2 1 1 A 40 40 SER CA C 40 58.825 58.213 0.612 1
1 427 . 2 1 1 A 40 40 SER CB C 40 63.964 63.761 0.203 1
1 428 . 2 1 1 A 40 40 SER N N 40 119.077 119.316 -0.239 1
1 429 . 2 1 1 A 41 41 ASN H H 41 8.711 8.381 0.330 1
1 430 . 2 1 1 A 41 41 ASN HA H 41 5.007 5.026 -0.019 1
1 435 . 2 1 1 A 41 41 ASN C C 41 171.078 174.481 -3.403 1
1 436 . 2 1 1 A 41 41 ASN CA C 41 51.291 51.301 -0.010 1
1 437 . 2 1 1 A 41 41 ASN CB C 41 39.815 38.172 1.643 1
1 438 . 2 1 1 A 41 41 ASN N N 41 119.546 117.981 1.565 1
1 440 . 2 1 1 A 42 42 PRO HA H 42 4.408 4.683 -0.275 1
1 447 . 2 1 1 A 42 42 PRO C C 42 177.028 175.991 1.037 1
1 448 . 2 1 1 A 42 42 PRO CA C 42 62.678 62.553 0.125 1
1 449 . 2 1 1 A 42 42 PRO CB C 42 31.869 32.578 -0.709 1
1 452 . 2 1 1 A 43 43 THR H H 43 7.797 8.366 -0.569 1
1 453 . 2 1 1 A 43 43 THR HA H 43 4.205 4.637 -0.432 1
1 458 . 2 1 1 A 43 43 THR C C 43 174.729 175.389 -0.660 1
1 459 . 2 1 1 A 43 43 THR CA C 43 60.690 60.213 0.477 1
1 460 . 2 1 1 A 43 43 THR CB C 43 71.138 70.793 0.345 1
1 462 . 2 1 1 A 43 43 THR N N 43 111.399 116.235 -4.836 1
1 463 . 2 1 1 A 44 44 ARG H H 44 8.718 8.981 -0.263 1
1 464 . 2 1 1 A 44 44 ARG HA H 44 3.863 3.916 -0.053 1
1 471 . 2 1 1 A 44 44 ARG C C 44 178.384 178.686 -0.302 1
1 472 . 2 1 1 A 44 44 ARG CA C 44 60.014 60.117 -0.103 1
1 473 . 2 1 1 A 44 44 ARG CB C 44 29.512 29.852 -0.340 1
1 476 . 2 1 1 A 44 44 ARG N N 44 120.640 127.509 -6.869 1
1 477 . 2 1 1 A 45 45 LYS H H 45 8.142 7.833 0.309 1
1 478 . 2 1 1 A 45 45 LYS HA H 45 4.070 4.042 0.028 1
1 487 . 2 1 1 A 45 45 LYS C C 45 179.334 178.923 0.411 1
1 488 . 2 1 1 A 45 45 LYS CA C 45 59.170 59.345 -0.175 1
1 489 . 2 1 1 A 45 45 LYS CB C 45 32.457 32.210 0.247 1
1 493 . 2 1 1 A 45 45 LYS N N 45 117.851 120.057 -2.206 1
1 494 . 2 1 1 A 46 46 MET H H 46 7.560 8.108 -0.548 1
1 495 . 2 1 1 A 46 46 MET HA H 46 4.329 4.169 0.160 1
1 503 . 2 1 1 A 46 46 MET C C 46 178.774 178.795 -0.021 1
1 504 . 2 1 1 A 46 46 MET CA C 46 57.799 58.451 -0.652 1
1 505 . 2 1 1 A 46 46 MET CB C 46 32.210 32.782 -0.572 1
1 508 . 2 1 1 A 46 46 MET N N 46 119.433 118.221 1.212 1
1 509 . 2 1 1 A 47 47 LEU H H 47 8.624 8.127 0.497 1
1 510 . 2 1 1 A 47 47 LEU HA H 47 3.758 3.756 0.002 1
1 520 . 2 1 1 A 47 47 LEU C C 47 178.701 179.051 -0.350 1
1 521 . 2 1 1 A 47 47 LEU CA C 47 58.648 57.833 0.815 1
1 522 . 2 1 1 A 47 47 LEU CB C 47 42.248 41.541 0.707 1
1 526 . 2 1 1 A 47 47 LEU N N 47 120.980 119.601 1.379 1
1 527 . 2 1 1 A 48 48 ASP H H 48 7.891 8.092 -0.201 1
1 528 . 2 1 1 A 48 48 ASP HA H 48 4.275 4.337 -0.062 1
1 531 . 2 1 1 A 48 48 ASP C C 48 178.798 178.190 0.608 1
1 532 . 2 1 1 A 48 48 ASP CA C 48 57.662 57.368 0.294 1
1 533 . 2 1 1 A 48 48 ASP CB C 48 40.347 41.225 -0.878 1
1 534 . 2 1 1 A 48 48 ASP N N 48 119.025 119.815 -0.790 1
1 535 . 2 1 1 A 49 49 HIS H H 49 7.760 7.743 0.017 1
1 536 . 2 1 1 A 49 49 HIS HA H 49 4.390 4.247 0.143 1
1 540 . 2 1 1 A 49 49 HIS C C 49 178.287 177.081 1.206 1
1 541 . 2 1 1 A 49 49 HIS CA C 49 59.930 60.032 -0.102 1
1 542 . 2 1 1 A 49 49 HIS CB C 49 30.348 30.110 0.238 1
1 544 . 2 1 1 A 49 49 HIS N N 49 120.629 118.992 1.637 1
1 545 . 2 1 1 A 50 50 ILE H H 50 8.934 8.384 0.550 1
1 546 . 2 1 1 A 50 50 ILE HA H 50 3.619 3.660 -0.041 1
1 556 . 2 1 1 A 50 50 ILE C C 50 177.410 178.447 -1.037 1
1 557 . 2 1 1 A 50 50 ILE CA C 50 65.779 65.678 0.101 1
1 558 . 2 1 1 A 50 50 ILE CB C 50 38.622 37.852 0.770 1
1 562 . 2 1 1 A 50 50 ILE N N 50 120.913 120.164 0.749 1
1 563 . 2 1 1 A 51 51 ALA H H 51 8.423 8.072 0.351 1
1 564 . 2 1 1 A 51 51 ALA HA H 51 3.859 4.150 -0.291 1
1 568 . 2 1 1 A 51 51 ALA C C 51 179.213 179.854 -0.641 1
1 569 . 2 1 1 A 51 51 ALA CA C 51 56.348 54.571 1.777 1
1 570 . 2 1 1 A 51 51 ALA CB C 51 17.292 18.169 -0.877 1
1 571 . 2 1 1 A 51 51 ALA N N 51 120.695 120.863 -0.168 1
1 572 . 2 1 1 A 52 52 HIS H H 52 7.735 8.157 -0.422 1
1 573 . 2 1 1 A 52 52 HIS HA H 52 4.273 4.175 0.098 1
1 577 . 2 1 1 A 52 52 HIS C C 52 177.799 177.224 0.575 1
1 578 . 2 1 1 A 52 52 HIS CA C 52 59.406 59.182 0.224 1
1 579 . 2 1 1 A 52 52 HIS CB C 52 29.842 29.670 0.172 1
1 581 . 2 1 1 A 52 52 HIS N N 52 115.822 118.105 -2.283 1
1 582 . 2 1 1 A 53 53 GLU H H 53 8.299 8.341 -0.042 1
1 583 . 2 1 1 A 53 53 GLU HA H 53 3.842 3.979 -0.137 1
1 588 . 2 1 1 A 53 53 GLU C C 53 178.652 178.261 0.391 1
1 589 . 2 1 1 A 53 53 GLU CA C 53 59.434 59.299 0.135 1
1 590 . 2 1 1 A 53 53 GLU CB C 53 30.204 29.149 1.055 1
1 592 . 2 1 1 A 53 53 GLU N N 53 120.073 117.759 2.314 1
1 593 . 2 1 1 A 54 54 VAL H H 54 8.446 7.853 0.593 1
1 594 . 2 1 1 A 54 54 VAL HA H 54 4.150 3.991 0.159 1
1 602 . 2 1 1 A 54 54 VAL C C 54 175.899 176.698 -0.799 1
1 603 . 2 1 1 A 54 54 VAL CA C 54 62.001 64.195 -2.194 1
1 604 . 2 1 1 A 54 54 VAL CB C 54 33.000 31.895 1.105 1
1 607 . 2 1 1 A 54 54 VAL N N 54 112.194 118.462 -6.268 1
1 608 . 2 1 1 A 55 55 GLY H H 55 7.879 8.453 -0.574 1
1 609 . 2 1 1 A 55 55 GLY HA2 H 55 3.975 3.868 0.107 1
1 610 . 2 1 1 A 55 55 GLY HA3 H 55 3.814 3.904 -0.090 1
1 611 . 2 1 1 A 55 55 GLY C C 55 174.461 174.035 0.426 1
1 612 . 2 1 1 A 55 55 GLY CA C 55 46.551 46.425 0.126 1
1 613 . 2 1 1 A 55 55 GLY N N 55 111.306 110.162 1.144 1
1 614 . 2 1 1 A 56 56 LEU H H 56 7.766 7.379 0.387 1
1 615 . 2 1 1 A 56 56 LEU HA H 56 4.825 4.790 0.035 1
1 625 . 2 1 1 A 56 56 LEU C C 56 175.704 175.474 0.230 1
1 626 . 2 1 1 A 56 56 LEU CA C 56 52.223 53.257 -1.034 1
1 627 . 2 1 1 A 56 56 LEU CB C 56 47.913 45.823 2.090 1
1 631 . 2 1 1 A 56 56 LEU N N 56 119.685 121.058 -1.373 1
1 632 . 2 1 1 A 57 57 LYS H H 57 8.268 8.465 -0.197 1
1 633 . 2 1 1 A 57 57 LYS HA H 57 4.212 4.197 0.015 1
1 642 . 2 1 1 A 57 57 LYS C C 57 178.555 177.626 0.929 1
1 643 . 2 1 1 A 57 57 LYS CA C 57 56.375 57.155 -0.780 1
1 644 . 2 1 1 A 57 57 LYS CB C 57 32.750 32.419 0.331 1
1 648 . 2 1 1 A 57 57 LYS N N 57 118.380 124.557 -6.177 1
1 649 . 2 1 1 A 58 58 LYS H H 58 8.853 9.013 -0.160 1
1 650 . 2 1 1 A 58 58 LYS HA H 58 3.670 3.811 -0.141 1
1 659 . 2 1 1 A 58 58 LYS C C 58 178.652 178.300 0.352 1
1 660 . 2 1 1 A 58 58 LYS CA C 58 61.026 60.632 0.394 1
1 661 . 2 1 1 A 58 58 LYS CB C 58 31.655 32.413 -0.758 1
1 665 . 2 1 1 A 58 58 LYS N N 58 123.883 126.612 -2.729 1
1 666 . 2 1 1 A 59 59 ARG H H 59 8.834 7.681 1.153 1
1 667 . 2 1 1 A 59 59 ARG HA H 59 4.120 4.131 -0.011 1
1 674 . 2 1 1 A 59 59 ARG C C 59 177.872 178.862 -0.990 1
1 675 . 2 1 1 A 59 59 ARG CA C 59 58.851 58.673 0.178 1
1 676 . 2 1 1 A 59 59 ARG CB C 59 29.832 29.752 0.080 1
1 679 . 2 1 1 A 59 59 ARG N N 59 117.315 119.296 -1.981 1
1 680 . 2 1 1 A 60 60 VAL H H 60 6.892 8.136 -1.244 1
1 681 . 2 1 1 A 60 60 VAL HA H 60 3.677 3.788 -0.111 1
1 689 . 2 1 1 A 60 60 VAL C C 60 178.701 178.575 0.126 1
1 690 . 2 1 1 A 60 60 VAL CA C 60 65.741 66.074 -0.333 1
1 691 . 2 1 1 A 60 60 VAL CB C 60 31.520 31.527 -0.007 1
1 694 . 2 1 1 A 60 60 VAL N N 60 117.560 119.879 -2.319 1
1 695 . 2 1 1 A 61 61 VAL H H 61 7.394 8.156 -0.762 1
1 696 . 2 1 1 A 61 61 VAL HA H 61 3.647 3.753 -0.106 1
1 704 . 2 1 1 A 61 61 VAL C C 61 177.385 178.182 -0.797 1
1 705 . 2 1 1 A 61 61 VAL CA C 61 67.232 66.871 0.361 1
1 706 . 2 1 1 A 61 61 VAL CB C 61 32.125 31.287 0.838 1
1 709 . 2 1 1 A 61 61 VAL N N 61 119.625 121.008 -1.383 1
1 710 . 2 1 1 A 62 62 GLN H H 62 8.681 8.288 0.393 1
1 711 . 2 1 1 A 62 62 GLN HA H 62 4.047 4.015 0.032 1
1 718 . 2 1 1 A 62 62 GLN C C 62 178.798 178.182 0.616 1
1 719 . 2 1 1 A 62 62 GLN CA C 62 60.169 58.786 1.383 1
1 720 . 2 1 1 A 62 62 GLN CB C 62 28.935 28.389 0.546 1
1 722 . 2 1 1 A 62 62 GLN N N 62 119.803 119.970 -0.167 1
1 724 . 2 1 1 A 63 63 VAL H H 63 8.279 7.907 0.372 1
1 725 . 2 1 1 A 63 63 VAL HA H 63 3.703 3.847 -0.144 1
1 733 . 2 1 1 A 63 63 VAL C C 63 177.263 177.922 -0.659 1
1 734 . 2 1 1 A 63 63 VAL CA C 63 66.384 65.750 0.634 1
1 735 . 2 1 1 A 63 63 VAL CB C 63 31.983 31.781 0.202 1
1 738 . 2 1 1 A 63 63 VAL N N 63 120.104 119.695 0.409 1
1 739 . 2 1 1 A 64 64 TRP H H 64 8.376 8.324 0.052 1
1 740 . 2 1 1 A 64 64 TRP HA H 64 4.015 4.257 -0.242 1
1 749 . 2 1 1 A 64 64 TRP C C 64 180.309 177.539 2.770 1
1 750 . 2 1 1 A 64 64 TRP CA C 64 63.421 60.389 3.032 1
1 751 . 2 1 1 A 64 64 TRP CB C 64 28.382 29.904 -1.522 1
1 757 . 2 1 1 A 64 64 TRP N N 64 122.121 121.823 0.298 1
1 759 . 2 1 1 A 65 65 PHE H H 65 9.032 8.034 0.998 1
1 760 . 2 1 1 A 65 65 PHE HA H 65 3.662 4.519 -0.857 1
1 768 . 2 1 1 A 65 65 PHE C C 65 178.214 178.763 -0.549 1
1 769 . 2 1 1 A 65 65 PHE CA C 65 63.919 60.364 3.555 1
1 770 . 2 1 1 A 65 65 PHE CB C 65 39.512 40.293 -0.781 1
1 776 . 2 1 1 A 65 65 PHE N N 65 120.975 115.870 5.105 1
1 777 . 2 1 1 A 66 66 GLN H H 66 8.021 7.922 0.099 1
1 778 . 2 1 1 A 66 66 GLN HA H 66 3.957 4.098 -0.141 1
1 785 . 2 1 1 A 66 66 GLN C C 66 179.066 177.942 1.124 1
1 786 . 2 1 1 A 66 66 GLN CA C 66 59.426 58.693 0.733 1
1 787 . 2 1 1 A 66 66 GLN CB C 66 28.536 28.004 0.532 1
1 789 . 2 1 1 A 66 66 GLN N N 66 117.887 117.170 0.717 1
1 791 . 2 1 1 A 67 67 ASN H H 67 8.807 7.679 1.128 1
1 792 . 2 1 1 A 67 67 ASN HA H 67 4.331 4.543 -0.212 1
1 797 . 2 1 1 A 67 67 ASN C C 67 177.775 177.979 -0.204 1
1 798 . 2 1 1 A 67 67 ASN CA C 67 55.461 55.446 0.015 1
1 799 . 2 1 1 A 67 67 ASN CB C 67 37.718 38.582 -0.864 1
1 800 . 2 1 1 A 67 67 ASN N N 67 119.312 118.404 0.908 1
1 802 . 2 1 1 A 68 68 THR H H 68 8.092 7.933 0.159 1
1 803 . 2 1 1 A 68 68 THR HA H 68 3.262 3.572 -0.310 1
1 808 . 2 1 1 A 68 68 THR C C 68 175.972 176.444 -0.472 1
1 809 . 2 1 1 A 68 68 THR CA C 68 66.903 66.558 0.345 1
1 810 . 2 1 1 A 68 68 THR CB C 68 67.800 68.200 -0.400 1
1 812 . 2 1 1 A 68 68 THR N N 68 120.500 116.758 3.742 1
1 813 . 2 1 1 A 69 69 ARG H H 69 8.154 8.039 0.115 1
1 814 . 2 1 1 A 69 69 ARG HA H 69 4.362 4.499 -0.137 1
1 821 . 2 1 1 A 69 69 ARG C C 69 179.432 178.991 0.441 1
1 822 . 2 1 1 A 69 69 ARG CA C 69 59.805 59.924 -0.119 1
1 823 . 2 1 1 A 69 69 ARG CB C 69 31.490 29.977 1.513 1
1 826 . 2 1 1 A 69 69 ARG N N 69 121.451 120.801 0.650 1
1 827 . 2 1 1 A 70 70 ALA H H 70 7.686 7.721 -0.035 1
1 828 . 2 1 1 A 70 70 ALA HA H 70 4.107 4.038 0.069 1
1 832 . 2 1 1 A 70 70 ALA C C 70 179.724 179.624 0.100 1
1 833 . 2 1 1 A 70 70 ALA CA C 70 54.512 55.202 -0.690 1
1 834 . 2 1 1 A 70 70 ALA CB C 70 18.187 18.262 -0.075 1
1 835 . 2 1 1 A 70 70 ALA N N 70 119.887 121.900 -2.013 1
1 836 . 2 1 1 A 71 71 ARG H H 71 7.588 7.947 -0.359 1
1 837 . 2 1 1 A 71 71 ARG HA H 71 4.073 4.036 0.037 1
1 844 . 2 1 1 A 71 71 ARG C C 71 177.775 178.261 -0.486 1
1 845 . 2 1 1 A 71 71 ARG CA C 71 57.849 58.902 -1.053 1
1 846 . 2 1 1 A 71 71 ARG CB C 71 30.419 29.781 0.638 1
1 849 . 2 1 1 A 71 71 ARG N N 71 117.554 116.921 0.633 1
1 850 . 2 1 1 A 72 72 GLU H H 72 7.776 8.428 -0.652 1
1 851 . 2 1 1 A 72 72 GLU HA H 72 4.129 4.170 -0.041 1
1 856 . 2 1 1 A 72 72 GLU C C 72 177.190 179.149 -1.959 1
1 857 . 2 1 1 A 72 72 GLU CA C 72 57.625 58.766 -1.141 1
1 858 . 2 1 1 A 72 72 GLU CB C 72 29.815 29.303 0.512 1
1 860 . 2 1 1 A 72 72 GLU N N 72 119.019 119.017 0.002 1
1 861 . 2 1 1 A 73 73 ARG H H 73 7.956 8.149 -0.193 1
1 862 . 2 1 1 A 73 73 ARG HA H 73 4.228 4.094 0.134 1
1 869 . 2 1 1 A 73 73 ARG C C 73 176.581 178.541 -1.960 1
1 870 . 2 1 1 A 73 73 ARG CA C 73 56.773 59.001 -2.228 1
1 871 . 2 1 1 A 73 73 ARG CB C 73 30.254 29.905 0.349 1
1 874 . 2 1 1 A 73 73 ARG N N 73 119.948 119.103 0.845 1
1 875 . 2 1 1 A 74 74 LYS H H 74 8.155 7.849 0.306 1
1 876 . 2 1 1 A 74 74 LYS HA H 74 4.329 4.147 0.182 1
1 885 . 2 1 1 A 74 74 LYS C C 74 176.703 177.359 -0.656 1
1 886 . 2 1 1 A 74 74 LYS CA C 74 56.458 59.131 -2.673 1
1 887 . 2 1 1 A 74 74 LYS CB C 74 32.825 32.058 0.767 1
1 891 . 2 1 1 A 74 74 LYS N N 74 121.577 120.696 0.881 1
1 892 . 2 1 1 A 75 75 SER H H 75 8.246 7.368 0.878 1
1 893 . 2 1 1 A 75 75 SER HA H 75 4.474 4.338 0.136 1
1 896 . 2 1 1 A 75 75 SER C C 75 174.486 175.026 -0.540 1
1 897 . 2 1 1 A 75 75 SER CA C 75 58.365 60.205 -1.840 1
1 898 . 2 1 1 A 75 75 SER CB C 75 63.967 63.612 0.355 1
1 899 . 2 1 1 A 75 75 SER N N 75 116.340 114.861 1.479 1
1 900 . 2 1 1 A 76 76 GLY H H 76 8.205 8.526 -0.321 1
1 901 . 2 1 1 A 76 76 GLY HA2 H 76 4.118 3.997 0.121 1
1 902 . 2 1 1 A 76 76 GLY HA3 H 76 4.118 3.997 0.121 1
1 903 . 2 1 1 A 76 76 GLY C C 76 171.758 174.521 -2.763 1
1 904 . 2 1 1 A 76 76 GLY CA C 76 44.661 45.261 -0.600 1
1 905 . 2 1 1 A 76 76 GLY N N 76 110.555 112.684 -2.129 1
1 906 . 2 1 1 A 77 77 PRO HA H 77 4.450 4.408 0.042 1
1 913 . 2 1 1 A 77 77 PRO C C 77 177.458 176.382 1.076 1
1 914 . 2 1 1 A 77 77 PRO CA C 77 63.249 64.957 -1.708 1
1 915 . 2 1 1 A 77 77 PRO CB C 77 32.180 32.097 0.083 1
1 918 . 2 1 1 A 78 78 SER H H 78 8.525 7.858 0.667 1
1 919 . 2 1 1 A 78 78 SER HA H 78 4.471 4.972 -0.501 1
1 922 . 2 1 1 A 78 78 SER C C 78 174.648 172.691 1.957 1
1 923 . 2 1 1 A 78 78 SER CA C 78 58.460 56.705 1.755 1
1 924 . 2 1 1 A 78 78 SER CB C 78 63.885 66.055 -2.170 1
1 925 . 2 1 1 A 78 78 SER N N 78 116.381 112.519 3.862 1
1 926 . 2 1 1 A 79 79 SER H H 79 8.309 8.659 -0.350 1
1 927 . 2 1 1 A 79 79 SER HA H 79 4.457 5.192 -0.735 1
1 930 . 2 1 1 A 79 79 SER C C 79 173.925 174.681 -0.756 1
1 931 . 2 1 1 A 79 79 SER CA C 79 58.401 56.490 1.911 1
1 932 . 2 1 1 A 79 79 SER CB C 79 64.132 66.284 -2.152 1
1 933 . 2 1 1 A 79 79 SER N N 79 117.741 117.654 0.087 1
1 1 . 3 1 1 A 8 8 GLY HA2 H 8 4.031 4.227 -0.196 1
1 2 . 3 1 1 A 8 8 GLY HA3 H 8 4.031 4.228 -0.197 1
1 3 . 3 1 1 A 8 8 GLY C C 8 174.729 173.673 1.056 1
1 4 . 3 1 1 A 8 8 GLY CA C 8 45.278 45.594 -0.316 1
1 5 . 3 1 1 A 9 9 THR H H 9 8.248 7.592 0.656 1
1 6 . 3 1 1 A 9 9 THR HA H 9 4.376 5.096 -0.720 1
1 11 . 3 1 1 A 9 9 THR C C 9 175.485 174.188 1.297 1
1 12 . 3 1 1 A 9 9 THR CA C 9 61.837 59.697 2.140 1
1 13 . 3 1 1 A 9 9 THR CB C 9 69.737 71.740 -2.003 1
1 15 . 3 1 1 A 9 9 THR N N 9 112.908 111.510 1.398 1
1 16 . 3 1 1 A 10 10 GLY H H 10 8.581 8.421 0.160 1
1 17 . 3 1 1 A 10 10 GLY HA2 H 10 3.985 4.364 -0.379 1
1 18 . 3 1 1 A 10 10 GLY HA3 H 10 3.985 4.365 -0.380 1
1 19 . 3 1 1 A 10 10 GLY C C 10 174.705 172.572 2.133 1
1 20 . 3 1 1 A 10 10 GLY CA C 10 45.455 45.420 0.035 1
1 21 . 3 1 1 A 10 10 GLY N N 10 111.487 108.588 2.899 1
1 22 . 3 1 1 A 11 11 GLY H H 11 8.286 8.457 -0.171 1
1 23 . 3 1 1 A 11 11 GLY HA2 H 11 3.958 4.372 -0.414 1
1 24 . 3 1 1 A 11 11 GLY HA3 H 11 3.958 4.373 -0.415 1
1 25 . 3 1 1 A 11 11 GLY C C 11 174.071 171.854 2.217 1
1 26 . 3 1 1 A 11 11 GLY CA C 11 45.101 45.212 -0.111 1
1 27 . 3 1 1 A 11 11 GLY N N 11 108.887 107.418 1.469 1
1 28 . 3 1 1 A 12 12 GLU H H 12 8.333 8.713 -0.380 1
1 29 . 3 1 1 A 12 12 GLU HA H 12 4.271 4.946 -0.675 1
1 34 . 3 1 1 A 12 12 GLU C C 12 176.435 174.763 1.672 1
1 35 . 3 1 1 A 12 12 GLU CA C 12 56.278 55.520 0.758 1
1 36 . 3 1 1 A 12 12 GLU CB C 12 30.358 30.837 -0.479 1
1 38 . 3 1 1 A 12 12 GLU N N 12 120.407 121.837 -1.430 1
1 39 . 3 1 1 A 13 13 GLU H H 13 8.546 8.845 -0.299 1
1 40 . 3 1 1 A 13 13 GLU HA H 13 4.521 5.012 -0.491 1
1 45 . 3 1 1 A 13 13 GLU C C 13 174.648 173.367 1.281 1
1 46 . 3 1 1 A 13 13 GLU CA C 13 54.687 53.984 0.703 1
1 47 . 3 1 1 A 13 13 GLU CB C 13 29.688 32.977 -3.289 1
1 49 . 3 1 1 A 13 13 GLU N N 13 123.832 121.555 2.277 1
1 50 . 3 1 1 A 14 14 PRO HA H 14 4.375 4.756 -0.381 1
1 57 . 3 1 1 A 14 14 PRO C C 14 177.117 175.320 1.797 1
1 58 . 3 1 1 A 14 14 PRO CA C 14 63.379 62.908 0.471 1
1 59 . 3 1 1 A 14 14 PRO CB C 14 32.003 31.758 0.245 1
1 62 . 3 1 1 A 15 15 GLN H H 15 8.543 8.805 -0.262 1
1 63 . 3 1 1 A 15 15 GLN HA H 15 4.230 4.913 -0.683 1
1 70 . 3 1 1 A 15 15 GLN C C 15 176.459 174.305 2.154 1
1 71 . 3 1 1 A 15 15 GLN CA C 15 56.171 54.569 1.602 1
1 72 . 3 1 1 A 15 15 GLN CB C 15 28.935 32.527 -3.592 1
1 74 . 3 1 1 A 15 15 GLN N N 15 120.153 123.293 -3.140 1
1 76 . 3 1 1 A 16 16 ARG H H 16 8.337 9.062 -0.725 1
1 77 . 3 1 1 A 16 16 ARG HA H 16 4.219 5.086 -0.867 1
1 84 . 3 1 1 A 16 16 ARG C C 16 176.216 174.499 1.717 1
1 85 . 3 1 1 A 16 16 ARG CA C 16 56.809 54.495 2.314 1
1 86 . 3 1 1 A 16 16 ARG CB C 16 30.666 33.433 -2.767 1
1 89 . 3 1 1 A 16 16 ARG N N 16 122.090 123.225 -1.135 1
1 90 . 3 1 1 A 17 17 ASP H H 17 8.313 8.622 -0.309 1
1 91 . 3 1 1 A 17 17 ASP HA H 17 4.523 5.169 -0.646 1
1 94 . 3 1 1 A 17 17 ASP C C 17 176.727 174.948 1.779 1
1 95 . 3 1 1 A 17 17 ASP CA C 17 54.591 53.326 1.265 1
1 96 . 3 1 1 A 17 17 ASP CB C 17 41.097 45.530 -4.433 1
1 97 . 3 1 1 A 17 17 ASP N N 17 120.664 121.476 -0.812 1
1 98 . 3 1 1 A 18 18 LYS H H 18 8.276 8.771 -0.495 1
1 99 . 3 1 1 A 18 18 LYS HA H 18 4.175 4.543 -0.368 1
1 108 . 3 1 1 A 18 18 LYS C C 18 176.971 176.701 0.270 1
1 109 . 3 1 1 A 18 18 LYS CA C 18 56.971 57.039 -0.068 1
1 110 . 3 1 1 A 18 18 LYS CB C 18 32.562 33.816 -1.254 1
1 114 . 3 1 1 A 18 18 LYS N N 18 122.504 120.829 1.675 1
1 115 . 3 1 1 A 19 19 ARG H H 19 8.240 7.770 0.470 1
1 116 . 3 1 1 A 19 19 ARG HA H 19 4.205 4.797 -0.592 1
1 123 . 3 1 1 A 19 19 ARG C C 19 176.532 175.101 1.431 1
1 124 . 3 1 1 A 19 19 ARG CA C 19 56.632 54.631 2.001 1
1 125 . 3 1 1 A 19 19 ARG CB C 19 30.647 33.009 -2.362 1
1 128 . 3 1 1 A 19 19 ARG N N 19 120.296 119.120 1.176 1
1 129 . 3 1 1 A 20 20 LEU H H 20 8.068 9.059 -0.991 1
1 130 . 3 1 1 A 20 20 LEU HA H 20 4.262 4.460 -0.198 1
1 140 . 3 1 1 A 20 20 LEU C C 20 177.288 176.573 0.715 1
1 141 . 3 1 1 A 20 20 LEU CA C 20 55.110 56.133 -1.023 1
1 142 . 3 1 1 A 20 20 LEU CB C 20 42.081 42.876 -0.795 1
1 146 . 3 1 1 A 20 20 LEU N N 20 121.867 127.647 -5.780 1
1 147 . 3 1 1 A 21 21 ARG H H 21 8.226 7.582 0.644 1
1 148 . 3 1 1 A 21 21 ARG HA H 21 4.413 4.829 -0.416 1
1 155 . 3 1 1 A 21 21 ARG C C 21 176.313 175.896 0.417 1
1 156 . 3 1 1 A 21 21 ARG CA C 21 56.194 53.964 2.230 1
1 157 . 3 1 1 A 21 21 ARG CB C 21 30.996 34.721 -3.725 1
1 160 . 3 1 1 A 21 21 ARG N N 21 121.612 116.739 4.873 1
1 161 . 3 1 1 A 22 22 THR H H 22 8.215 8.357 -0.142 1
1 162 . 3 1 1 A 22 22 THR HA H 22 4.405 4.386 0.019 1
1 167 . 3 1 1 A 22 22 THR C C 22 174.169 175.127 -0.958 1
1 168 . 3 1 1 A 22 22 THR CA C 22 61.963 62.934 -0.971 1
1 169 . 3 1 1 A 22 22 THR CB C 22 69.779 69.707 0.072 1
1 171 . 3 1 1 A 22 22 THR N N 22 114.661 113.620 1.041 1
1 172 . 3 1 1 A 23 23 THR H H 23 8.087 7.494 0.593 1
1 173 . 3 1 1 A 23 23 THR HA H 23 4.308 4.325 -0.017 1
1 178 . 3 1 1 A 23 23 THR C C 23 173.413 173.599 -0.186 1
1 179 . 3 1 1 A 23 23 THR CA C 23 62.158 61.963 0.195 1
1 180 . 3 1 1 A 23 23 THR CB C 23 69.916 70.266 -0.350 1
1 182 . 3 1 1 A 23 23 THR N N 23 118.008 114.551 3.457 1
1 183 . 3 1 1 A 24 24 ILE H H 24 8.110 8.231 -0.121 1
1 184 . 3 1 1 A 24 24 ILE HA H 24 4.200 5.039 -0.839 1
1 194 . 3 1 1 A 24 24 ILE C C 24 176.654 175.701 0.953 1
1 195 . 3 1 1 A 24 24 ILE CA C 24 61.690 59.691 1.999 1
1 196 . 3 1 1 A 24 24 ILE CB C 24 39.487 41.424 -1.937 1
1 200 . 3 1 1 A 24 24 ILE N N 24 124.852 120.545 4.307 1
1 201 . 3 1 1 A 25 25 THR H H 25 9.023 8.524 0.499 1
1 202 . 3 1 1 A 25 25 THR HA H 25 4.564 4.982 -0.418 1
1 207 . 3 1 1 A 25 25 THR C C 25 173.433 174.309 -0.876 1
1 208 . 3 1 1 A 25 25 THR CA C 25 60.759 58.594 2.165 1
1 209 . 3 1 1 A 25 25 THR CB C 25 68.089 69.851 -1.762 1
1 211 . 3 1 1 A 25 25 THR N N 25 120.568 115.914 4.654 1
1 212 . 3 1 1 A 26 26 PRO HA H 26 4.172 4.565 -0.393 1
1 219 . 3 1 1 A 26 26 PRO C C 26 179.237 177.380 1.857 1
1 220 . 3 1 1 A 26 26 PRO CA C 26 65.917 64.511 1.406 1
1 221 . 3 1 1 A 26 26 PRO CB C 26 31.725 31.739 -0.014 1
1 224 . 3 1 1 A 27 27 GLU H H 27 8.722 8.440 0.282 1
1 225 . 3 1 1 A 27 27 GLU HA H 27 4.006 4.263 -0.257 1
1 230 . 3 1 1 A 27 27 GLU C C 27 179.749 178.304 1.445 1
1 231 . 3 1 1 A 27 27 GLU CA C 27 60.353 57.596 2.757 1
1 232 . 3 1 1 A 27 27 GLU CB C 27 28.851 30.052 -1.201 1
1 234 . 3 1 1 A 27 27 GLU N N 27 117.087 117.507 -0.420 1
1 235 . 3 1 1 A 28 28 GLN H H 28 7.666 7.955 -0.289 1
1 236 . 3 1 1 A 28 28 GLN HA H 28 3.767 4.123 -0.356 1
1 243 . 3 1 1 A 28 28 GLN C C 28 177.872 177.957 -0.085 1
1 244 . 3 1 1 A 28 28 GLN CA C 28 58.821 58.283 0.538 1
1 245 . 3 1 1 A 28 28 GLN CB C 28 29.401 28.884 0.517 1
1 247 . 3 1 1 A 28 28 GLN N N 28 119.298 118.973 0.325 1
1 249 . 3 1 1 A 29 29 LEU H H 29 8.453 7.959 0.494 1
1 250 . 3 1 1 A 29 29 LEU HA H 29 3.484 3.580 -0.096 1
1 260 . 3 1 1 A 29 29 LEU C C 29 178.092 178.670 -0.578 1
1 261 . 3 1 1 A 29 29 LEU CA C 29 57.737 57.616 0.121 1
1 262 . 3 1 1 A 29 29 LEU CB C 29 41.578 41.555 0.023 1
1 266 . 3 1 1 A 29 29 LEU N N 29 120.145 120.645 -0.500 1
1 267 . 3 1 1 A 30 30 GLU H H 30 7.607 8.310 -0.703 1
1 268 . 3 1 1 A 30 30 GLU HA H 30 4.069 4.103 -0.034 1
1 273 . 3 1 1 A 30 30 GLU C C 30 179.140 179.389 -0.249 1
1 274 . 3 1 1 A 30 30 GLU CA C 30 59.334 59.689 -0.355 1
1 275 . 3 1 1 A 30 30 GLU CB C 30 29.512 29.450 0.062 1
1 277 . 3 1 1 A 30 30 GLU N N 30 116.903 116.537 0.366 1
1 278 . 3 1 1 A 31 31 ILE H H 31 7.070 7.759 -0.689 1
1 279 . 3 1 1 A 31 31 ILE HA H 31 3.692 3.690 0.002 1
1 289 . 3 1 1 A 31 31 ILE C C 31 178.287 178.617 -0.330 1
1 290 . 3 1 1 A 31 31 ILE CA C 31 64.416 65.766 -1.350 1
1 291 . 3 1 1 A 31 31 ILE CB C 31 37.777 37.680 0.097 1
1 295 . 3 1 1 A 31 31 ILE N N 31 118.947 121.134 -2.187 1
1 296 . 3 1 1 A 32 32 LEU H H 32 8.126 8.173 -0.047 1
1 297 . 3 1 1 A 32 32 LEU HA H 32 3.418 3.822 -0.404 1
1 307 . 3 1 1 A 32 32 LEU C C 32 178.311 178.908 -0.597 1
1 308 . 3 1 1 A 32 32 LEU CA C 32 58.497 57.889 0.608 1
1 309 . 3 1 1 A 32 32 LEU CB C 32 38.146 41.219 -3.073 1
1 313 . 3 1 1 A 32 32 LEU N N 32 120.437 119.162 1.275 1
1 314 . 3 1 1 A 33 33 TYR H H 33 8.312 8.369 -0.057 1
1 315 . 3 1 1 A 33 33 TYR HA H 33 4.358 4.547 -0.189 1
1 322 . 3 1 1 A 33 33 TYR C C 33 178.214 178.573 -0.359 1
1 323 . 3 1 1 A 33 33 TYR CA C 33 62.645 60.997 1.648 1
1 324 . 3 1 1 A 33 33 TYR CB C 33 37.807 37.925 -0.118 1
1 329 . 3 1 1 A 33 33 TYR N N 33 117.248 118.048 -0.800 1
1 330 . 3 1 1 A 34 34 GLN H H 34 7.750 8.591 -0.841 1
1 331 . 3 1 1 A 34 34 GLN HA H 34 3.967 3.968 -0.001 1
1 338 . 3 1 1 A 34 34 GLN C C 34 180.065 178.975 1.090 1
1 339 . 3 1 1 A 34 34 GLN CA C 34 59.143 59.377 -0.234 1
1 340 . 3 1 1 A 34 34 GLN CB C 34 27.781 28.555 -0.774 1
1 342 . 3 1 1 A 34 34 GLN N N 34 117.509 118.214 -0.705 1
1 344 . 3 1 1 A 35 35 LYS H H 35 8.381 7.922 0.459 1
1 345 . 3 1 1 A 35 35 LYS HA H 35 4.132 4.220 -0.088 1
1 354 . 3 1 1 A 35 35 LYS C C 35 179.456 178.593 0.863 1
1 355 . 3 1 1 A 35 35 LYS CA C 35 57.839 58.609 -0.770 1
1 356 . 3 1 1 A 35 35 LYS CB C 35 31.487 32.616 -1.129 1
1 360 . 3 1 1 A 35 35 LYS N N 35 117.671 120.395 -2.724 1
1 361 . 3 1 1 A 36 36 TYR H H 36 9.036 8.347 0.689 1
1 362 . 3 1 1 A 36 36 TYR HA H 36 4.164 4.770 -0.606 1
1 369 . 3 1 1 A 36 36 TYR C C 36 176.630 177.398 -0.768 1
1 370 . 3 1 1 A 36 36 TYR CA C 36 61.726 61.458 0.268 1
1 371 . 3 1 1 A 36 36 TYR CB C 36 38.579 38.651 -0.072 1
1 376 . 3 1 1 A 36 36 TYR N N 36 124.434 123.049 1.385 1
1 377 . 3 1 1 A 37 37 LEU H H 37 7.848 9.182 -1.334 1
1 378 . 3 1 1 A 37 37 LEU HA H 37 3.918 4.070 -0.152 1
1 388 . 3 1 1 A 37 37 LEU C C 37 179.334 179.384 -0.050 1
1 389 . 3 1 1 A 37 37 LEU CA C 37 56.827 58.246 -1.419 1
1 390 . 3 1 1 A 37 37 LEU CB C 37 42.069 41.896 0.173 1
1 394 . 3 1 1 A 37 37 LEU N N 37 116.192 120.305 -4.113 1
1 395 . 3 1 1 A 38 38 LEU H H 38 7.230 7.310 -0.080 1
1 396 . 3 1 1 A 38 38 LEU HA H 38 4.150 4.352 -0.202 1
1 406 . 3 1 1 A 38 38 LEU C C 38 178.116 176.366 1.750 1
1 407 . 3 1 1 A 38 38 LEU CA C 38 56.915 56.030 0.885 1
1 408 . 3 1 1 A 38 38 LEU CB C 38 42.336 42.778 -0.442 1
1 412 . 3 1 1 A 38 38 LEU N N 38 118.422 113.277 5.145 1
1 413 . 3 1 1 A 39 39 ASP H H 39 7.543 8.096 -0.553 1
1 414 . 3 1 1 A 39 39 ASP HA H 39 4.364 4.919 -0.555 1
1 417 . 3 1 1 A 39 39 ASP C C 39 174.778 175.854 -1.076 1
1 418 . 3 1 1 A 39 39 ASP CA C 39 54.731 53.666 1.065 1
1 419 . 3 1 1 A 39 39 ASP CB C 39 41.134 42.312 -1.178 1
1 420 . 3 1 1 A 39 39 ASP N N 39 117.417 119.154 -1.737 1
1 421 . 3 1 1 A 40 40 SER H H 40 8.240 8.628 -0.388 1
1 422 . 3 1 1 A 40 40 SER HA H 40 3.984 4.588 -0.604 1
1 425 . 3 1 1 A 40 40 SER C C 40 174.169 175.039 -0.870 1
1 426 . 3 1 1 A 40 40 SER CA C 40 58.825 57.856 0.969 1
1 427 . 3 1 1 A 40 40 SER CB C 40 63.964 63.144 0.820 1
1 428 . 3 1 1 A 40 40 SER N N 40 119.077 119.464 -0.387 1
1 429 . 3 1 1 A 41 41 ASN H H 41 8.711 7.856 0.855 1
1 430 . 3 1 1 A 41 41 ASN HA H 41 5.007 5.226 -0.219 1
1 435 . 3 1 1 A 41 41 ASN C C 41 171.078 172.377 -1.299 1
1 436 . 3 1 1 A 41 41 ASN CA C 41 51.291 50.812 0.479 1
1 437 . 3 1 1 A 41 41 ASN CB C 41 39.815 39.465 0.350 1
1 438 . 3 1 1 A 41 41 ASN N N 41 119.546 119.153 0.393 1
1 440 . 3 1 1 A 42 42 PRO HA H 42 4.408 4.638 -0.230 1
1 447 . 3 1 1 A 42 42 PRO C C 42 177.028 175.438 1.590 1
1 448 . 3 1 1 A 42 42 PRO CA C 42 62.678 62.381 0.297 1
1 449 . 3 1 1 A 42 42 PRO CB C 42 31.869 33.106 -1.237 1
1 452 . 3 1 1 A 43 43 THR H H 43 7.797 8.364 -0.567 1
1 453 . 3 1 1 A 43 43 THR HA H 43 4.205 4.883 -0.678 1
1 458 . 3 1 1 A 43 43 THR C C 43 174.729 174.816 -0.087 1
1 459 . 3 1 1 A 43 43 THR CA C 43 60.690 59.680 1.010 1
1 460 . 3 1 1 A 43 43 THR CB C 43 71.138 71.456 -0.318 1
1 462 . 3 1 1 A 43 43 THR N N 43 111.399 115.813 -4.414 1
1 463 . 3 1 1 A 44 44 ARG H H 44 8.718 8.927 -0.209 1
1 464 . 3 1 1 A 44 44 ARG HA H 44 3.863 3.922 -0.059 1
1 471 . 3 1 1 A 44 44 ARG C C 44 178.384 177.780 0.604 1
1 472 . 3 1 1 A 44 44 ARG CA C 44 60.014 59.732 0.282 1
1 473 . 3 1 1 A 44 44 ARG CB C 44 29.512 30.034 -0.522 1
1 476 . 3 1 1 A 44 44 ARG N N 44 120.640 126.967 -6.327 1
1 477 . 3 1 1 A 45 45 LYS H H 45 8.142 7.873 0.269 1
1 478 . 3 1 1 A 45 45 LYS HA H 45 4.070 4.040 0.030 1
1 487 . 3 1 1 A 45 45 LYS C C 45 179.334 179.000 0.334 1
1 488 . 3 1 1 A 45 45 LYS CA C 45 59.170 59.345 -0.175 1
1 489 . 3 1 1 A 45 45 LYS CB C 45 32.457 32.200 0.257 1
1 493 . 3 1 1 A 45 45 LYS N N 45 117.851 119.379 -1.528 1
1 494 . 3 1 1 A 46 46 MET H H 46 7.560 8.131 -0.571 1
1 495 . 3 1 1 A 46 46 MET HA H 46 4.329 4.179 0.150 1
1 503 . 3 1 1 A 46 46 MET C C 46 178.774 178.869 -0.095 1
1 504 . 3 1 1 A 46 46 MET CA C 46 57.799 58.559 -0.760 1
1 505 . 3 1 1 A 46 46 MET CB C 46 32.210 32.771 -0.561 1
1 508 . 3 1 1 A 46 46 MET N N 46 119.433 118.197 1.236 1
1 509 . 3 1 1 A 47 47 LEU H H 47 8.624 8.208 0.416 1
1 510 . 3 1 1 A 47 47 LEU HA H 47 3.758 3.795 -0.037 1
1 520 . 3 1 1 A 47 47 LEU C C 47 178.701 178.727 -0.026 1
1 521 . 3 1 1 A 47 47 LEU CA C 47 58.648 58.115 0.533 1
1 522 . 3 1 1 A 47 47 LEU CB C 47 42.248 41.505 0.743 1
1 526 . 3 1 1 A 47 47 LEU N N 47 120.980 119.626 1.354 1
1 527 . 3 1 1 A 48 48 ASP H H 48 7.891 8.029 -0.138 1
1 528 . 3 1 1 A 48 48 ASP HA H 48 4.275 4.334 -0.059 1
1 531 . 3 1 1 A 48 48 ASP C C 48 178.798 178.174 0.624 1
1 532 . 3 1 1 A 48 48 ASP CA C 48 57.662 57.362 0.300 1
1 533 . 3 1 1 A 48 48 ASP CB C 48 40.347 41.419 -1.072 1
1 534 . 3 1 1 A 48 48 ASP N N 48 119.025 119.794 -0.769 1
1 535 . 3 1 1 A 49 49 HIS H H 49 7.760 7.821 -0.061 1
1 536 . 3 1 1 A 49 49 HIS HA H 49 4.390 4.267 0.123 1
1 540 . 3 1 1 A 49 49 HIS C C 49 178.287 177.114 1.173 1
1 541 . 3 1 1 A 49 49 HIS CA C 49 59.930 60.006 -0.076 1
1 542 . 3 1 1 A 49 49 HIS CB C 49 30.348 30.127 0.221 1
1 544 . 3 1 1 A 49 49 HIS N N 49 120.629 119.040 1.589 1
1 545 . 3 1 1 A 50 50 ILE H H 50 8.934 8.478 0.456 1
1 546 . 3 1 1 A 50 50 ILE HA H 50 3.619 3.599 0.020 1
1 556 . 3 1 1 A 50 50 ILE C C 50 177.410 178.210 -0.800 1
1 557 . 3 1 1 A 50 50 ILE CA C 50 65.779 65.579 0.200 1
1 558 . 3 1 1 A 50 50 ILE CB C 50 38.622 37.781 0.841 1
1 562 . 3 1 1 A 50 50 ILE N N 50 120.913 120.123 0.790 1
1 563 . 3 1 1 A 51 51 ALA H H 51 8.423 8.186 0.237 1
1 564 . 3 1 1 A 51 51 ALA HA H 51 3.859 4.154 -0.295 1
1 568 . 3 1 1 A 51 51 ALA C C 51 179.213 179.852 -0.639 1
1 569 . 3 1 1 A 51 51 ALA CA C 51 56.348 54.545 1.803 1
1 570 . 3 1 1 A 51 51 ALA CB C 51 17.292 18.254 -0.962 1
1 571 . 3 1 1 A 51 51 ALA N N 51 120.695 120.770 -0.075 1
1 572 . 3 1 1 A 52 52 HIS H H 52 7.735 8.041 -0.306 1
1 573 . 3 1 1 A 52 52 HIS HA H 52 4.273 4.182 0.091 1
1 577 . 3 1 1 A 52 52 HIS C C 52 177.799 177.191 0.608 1
1 578 . 3 1 1 A 52 52 HIS CA C 52 59.406 59.233 0.173 1
1 579 . 3 1 1 A 52 52 HIS CB C 52 29.842 29.692 0.150 1
1 581 . 3 1 1 A 52 52 HIS N N 52 115.822 118.389 -2.567 1
1 582 . 3 1 1 A 53 53 GLU H H 53 8.299 8.295 0.004 1
1 583 . 3 1 1 A 53 53 GLU HA H 53 3.842 3.893 -0.051 1
1 588 . 3 1 1 A 53 53 GLU C C 53 178.652 178.380 0.272 1
1 589 . 3 1 1 A 53 53 GLU CA C 53 59.434 59.291 0.143 1
1 590 . 3 1 1 A 53 53 GLU CB C 53 30.204 29.163 1.041 1
1 592 . 3 1 1 A 53 53 GLU N N 53 120.073 117.765 2.308 1
1 593 . 3 1 1 A 54 54 VAL H H 54 8.446 7.796 0.650 1
1 594 . 3 1 1 A 54 54 VAL HA H 54 4.150 3.955 0.195 1
1 602 . 3 1 1 A 54 54 VAL C C 54 175.899 177.081 -1.182 1
1 603 . 3 1 1 A 54 54 VAL CA C 54 62.001 64.694 -2.693 1
1 604 . 3 1 1 A 54 54 VAL CB C 54 33.000 31.603 1.397 1
1 607 . 3 1 1 A 54 54 VAL N N 54 112.194 118.468 -6.274 1
1 608 . 3 1 1 A 55 55 GLY H H 55 7.879 8.472 -0.593 1
1 609 . 3 1 1 A 55 55 GLY HA2 H 55 3.975 3.875 0.100 1
1 610 . 3 1 1 A 55 55 GLY HA3 H 55 3.814 3.900 -0.086 1
1 611 . 3 1 1 A 55 55 GLY C C 55 174.461 174.085 0.376 1
1 612 . 3 1 1 A 55 55 GLY CA C 55 46.551 46.335 0.216 1
1 613 . 3 1 1 A 55 55 GLY N N 55 111.306 109.700 1.606 1
1 614 . 3 1 1 A 56 56 LEU H H 56 7.766 7.414 0.352 1
1 615 . 3 1 1 A 56 56 LEU HA H 56 4.825 4.797 0.028 1
1 625 . 3 1 1 A 56 56 LEU C C 56 175.704 175.627 0.077 1
1 626 . 3 1 1 A 56 56 LEU CA C 56 52.223 53.416 -1.193 1
1 627 . 3 1 1 A 56 56 LEU CB C 56 47.913 45.656 2.257 1
1 631 . 3 1 1 A 56 56 LEU N N 56 119.685 121.151 -1.466 1
1 632 . 3 1 1 A 57 57 LYS H H 57 8.268 8.479 -0.211 1
1 633 . 3 1 1 A 57 57 LYS HA H 57 4.212 4.146 0.066 1
1 642 . 3 1 1 A 57 57 LYS C C 57 178.555 177.572 0.983 1
1 643 . 3 1 1 A 57 57 LYS CA C 57 56.375 57.303 -0.928 1
1 644 . 3 1 1 A 57 57 LYS CB C 57 32.750 32.609 0.141 1
1 648 . 3 1 1 A 57 57 LYS N N 57 118.380 125.121 -6.741 1
1 649 . 3 1 1 A 58 58 LYS H H 58 8.853 8.989 -0.136 1
1 650 . 3 1 1 A 58 58 LYS HA H 58 3.670 3.836 -0.166 1
1 659 . 3 1 1 A 58 58 LYS C C 58 178.652 177.969 0.683 1
1 660 . 3 1 1 A 58 58 LYS CA C 58 61.026 60.297 0.729 1
1 661 . 3 1 1 A 58 58 LYS CB C 58 31.655 32.121 -0.466 1
1 665 . 3 1 1 A 58 58 LYS N N 58 123.883 125.237 -1.354 1
1 666 . 3 1 1 A 59 59 ARG H H 59 8.834 7.717 1.117 1
1 667 . 3 1 1 A 59 59 ARG HA H 59 4.120 4.086 0.034 1
1 674 . 3 1 1 A 59 59 ARG C C 59 177.872 179.110 -1.238 1
1 675 . 3 1 1 A 59 59 ARG CA C 59 58.851 58.988 -0.137 1
1 676 . 3 1 1 A 59 59 ARG CB C 59 29.832 29.733 0.099 1
1 679 . 3 1 1 A 59 59 ARG N N 59 117.315 119.759 -2.444 1
1 680 . 3 1 1 A 60 60 VAL H H 60 6.892 8.101 -1.209 1
1 681 . 3 1 1 A 60 60 VAL HA H 60 3.677 3.834 -0.157 1
1 689 . 3 1 1 A 60 60 VAL C C 60 178.701 178.373 0.328 1
1 690 . 3 1 1 A 60 60 VAL CA C 60 65.741 65.514 0.227 1
1 691 . 3 1 1 A 60 60 VAL CB C 60 31.520 31.861 -0.341 1
1 694 . 3 1 1 A 60 60 VAL N N 60 117.560 119.595 -2.035 1
1 695 . 3 1 1 A 61 61 VAL H H 61 7.394 7.873 -0.479 1
1 696 . 3 1 1 A 61 61 VAL HA H 61 3.647 3.832 -0.185 1
1 704 . 3 1 1 A 61 61 VAL C C 61 177.385 178.025 -0.640 1
1 705 . 3 1 1 A 61 61 VAL CA C 61 67.232 66.570 0.662 1
1 706 . 3 1 1 A 61 61 VAL CB C 61 32.125 31.639 0.486 1
1 709 . 3 1 1 A 61 61 VAL N N 61 119.625 120.755 -1.130 1
1 710 . 3 1 1 A 62 62 GLN H H 62 8.681 8.403 0.278 1
1 711 . 3 1 1 A 62 62 GLN HA H 62 4.047 4.009 0.038 1
1 718 . 3 1 1 A 62 62 GLN C C 62 178.798 178.594 0.204 1
1 719 . 3 1 1 A 62 62 GLN CA C 62 60.169 58.941 1.228 1
1 720 . 3 1 1 A 62 62 GLN CB C 62 28.935 28.574 0.361 1
1 722 . 3 1 1 A 62 62 GLN N N 62 119.803 120.349 -0.546 1
1 724 . 3 1 1 A 63 63 VAL H H 63 8.279 8.442 -0.163 1
1 725 . 3 1 1 A 63 63 VAL HA H 63 3.703 3.665 0.038 1
1 733 . 3 1 1 A 63 63 VAL C C 63 177.263 178.148 -0.885 1
1 734 . 3 1 1 A 63 63 VAL CA C 63 66.384 66.308 0.076 1
1 735 . 3 1 1 A 63 63 VAL CB C 63 31.983 31.684 0.299 1
1 738 . 3 1 1 A 63 63 VAL N N 63 120.104 119.308 0.796 1
1 739 . 3 1 1 A 64 64 TRP H H 64 8.376 7.976 0.400 1
1 740 . 3 1 1 A 64 64 TRP HA H 64 4.015 4.204 -0.189 1
1 749 . 3 1 1 A 64 64 TRP C C 64 180.309 178.185 2.124 1
1 750 . 3 1 1 A 64 64 TRP CA C 64 63.421 60.521 2.900 1
1 751 . 3 1 1 A 64 64 TRP CB C 64 28.382 29.914 -1.532 1
1 757 . 3 1 1 A 64 64 TRP N N 64 122.121 121.537 0.584 1
1 759 . 3 1 1 A 65 65 PHE H H 65 9.032 7.819 1.213 1
1 760 . 3 1 1 A 65 65 PHE HA H 65 3.662 4.502 -0.840 1
1 768 . 3 1 1 A 65 65 PHE C C 65 178.214 178.779 -0.565 1
1 769 . 3 1 1 A 65 65 PHE CA C 65 63.919 60.969 2.950 1
1 770 . 3 1 1 A 65 65 PHE CB C 65 39.512 39.688 -0.176 1
1 776 . 3 1 1 A 65 65 PHE N N 65 120.975 116.614 4.361 1
1 777 . 3 1 1 A 66 66 GLN H H 66 8.021 8.006 0.015 1
1 778 . 3 1 1 A 66 66 GLN HA H 66 3.957 4.094 -0.137 1
1 785 . 3 1 1 A 66 66 GLN C C 66 179.066 177.990 1.076 1
1 786 . 3 1 1 A 66 66 GLN CA C 66 59.426 58.724 0.702 1
1 787 . 3 1 1 A 66 66 GLN CB C 66 28.536 28.071 0.465 1
1 789 . 3 1 1 A 66 66 GLN N N 66 117.887 117.010 0.877 1
1 791 . 3 1 1 A 67 67 ASN H H 67 8.807 7.976 0.831 1
1 792 . 3 1 1 A 67 67 ASN HA H 67 4.331 4.499 -0.168 1
1 797 . 3 1 1 A 67 67 ASN C C 67 177.775 178.036 -0.261 1
1 798 . 3 1 1 A 67 67 ASN CA C 67 55.461 55.789 -0.328 1
1 799 . 3 1 1 A 67 67 ASN CB C 67 37.718 38.551 -0.833 1
1 800 . 3 1 1 A 67 67 ASN N N 67 119.312 118.414 0.898 1
1 802 . 3 1 1 A 68 68 THR H H 68 8.092 7.575 0.517 1
1 803 . 3 1 1 A 68 68 THR HA H 68 3.262 3.554 -0.292 1
1 808 . 3 1 1 A 68 68 THR C C 68 175.972 176.412 -0.440 1
1 809 . 3 1 1 A 68 68 THR CA C 68 66.903 66.558 0.345 1
1 810 . 3 1 1 A 68 68 THR CB C 68 67.800 68.062 -0.262 1
1 812 . 3 1 1 A 68 68 THR N N 68 120.500 116.118 4.382 1
1 813 . 3 1 1 A 69 69 ARG H H 69 8.154 7.930 0.224 1
1 814 . 3 1 1 A 69 69 ARG HA H 69 4.362 4.236 0.126 1
1 821 . 3 1 1 A 69 69 ARG C C 69 179.432 178.562 0.870 1
1 822 . 3 1 1 A 69 69 ARG CA C 69 59.805 59.859 -0.054 1
1 823 . 3 1 1 A 69 69 ARG CB C 69 31.490 30.383 1.107 1
1 826 . 3 1 1 A 69 69 ARG N N 69 121.451 120.599 0.852 1
1 827 . 3 1 1 A 70 70 ALA H H 70 7.686 7.643 0.043 1
1 828 . 3 1 1 A 70 70 ALA HA H 70 4.107 4.092 0.015 1
1 832 . 3 1 1 A 70 70 ALA C C 70 179.724 179.696 0.028 1
1 833 . 3 1 1 A 70 70 ALA CA C 70 54.512 55.190 -0.678 1
1 834 . 3 1 1 A 70 70 ALA CB C 70 18.187 18.152 0.035 1
1 835 . 3 1 1 A 70 70 ALA N N 70 119.887 121.766 -1.879 1
1 836 . 3 1 1 A 71 71 ARG H H 71 7.588 8.011 -0.423 1
1 837 . 3 1 1 A 71 71 ARG HA H 71 4.073 3.995 0.078 1
1 844 . 3 1 1 A 71 71 ARG C C 71 177.775 178.419 -0.644 1
1 845 . 3 1 1 A 71 71 ARG CA C 71 57.849 58.955 -1.106 1
1 846 . 3 1 1 A 71 71 ARG CB C 71 30.419 30.051 0.368 1
1 849 . 3 1 1 A 71 71 ARG N N 71 117.554 117.147 0.407 1
1 850 . 3 1 1 A 72 72 GLU H H 72 7.776 8.815 -1.039 1
1 851 . 3 1 1 A 72 72 GLU HA H 72 4.129 4.003 0.126 1
1 856 . 3 1 1 A 72 72 GLU C C 72 177.190 179.596 -2.406 1
1 857 . 3 1 1 A 72 72 GLU CA C 72 57.625 59.440 -1.815 1
1 858 . 3 1 1 A 72 72 GLU CB C 72 29.815 29.254 0.561 1
1 860 . 3 1 1 A 72 72 GLU N N 72 119.019 118.645 0.374 1
1 861 . 3 1 1 A 73 73 ARG H H 73 7.956 7.435 0.521 1
1 862 . 3 1 1 A 73 73 ARG HA H 73 4.228 4.269 -0.041 1
1 869 . 3 1 1 A 73 73 ARG C C 73 176.581 177.184 -0.603 1
1 870 . 3 1 1 A 73 73 ARG CA C 73 56.773 58.372 -1.599 1
1 871 . 3 1 1 A 73 73 ARG CB C 73 30.254 30.599 -0.345 1
1 874 . 3 1 1 A 73 73 ARG N N 73 119.948 118.773 1.175 1
1 875 . 3 1 1 A 74 74 LYS H H 74 8.155 7.170 0.985 1
1 876 . 3 1 1 A 74 74 LYS HA H 74 4.329 4.223 0.106 1
1 885 . 3 1 1 A 74 74 LYS C C 74 176.703 176.510 0.193 1
1 886 . 3 1 1 A 74 74 LYS CA C 74 56.458 57.106 -0.648 1
1 887 . 3 1 1 A 74 74 LYS CB C 74 32.825 32.465 0.360 1
1 891 . 3 1 1 A 74 74 LYS N N 74 121.577 120.009 1.568 1
1 892 . 3 1 1 A 75 75 SER H H 75 8.246 8.630 -0.384 1
1 893 . 3 1 1 A 75 75 SER HA H 75 4.474 4.273 0.201 1
1 896 . 3 1 1 A 75 75 SER C C 75 174.486 174.767 -0.281 1
1 897 . 3 1 1 A 75 75 SER CA C 75 58.365 59.934 -1.569 1
1 898 . 3 1 1 A 75 75 SER CB C 75 63.967 62.601 1.366 1
1 899 . 3 1 1 A 75 75 SER N N 75 116.340 119.390 -3.050 1
1 900 . 3 1 1 A 76 76 GLY H H 76 8.205 8.593 -0.388 1
1 901 . 3 1 1 A 76 76 GLY HA2 H 76 4.118 4.126 -0.008 1
1 902 . 3 1 1 A 76 76 GLY HA3 H 76 4.118 4.126 -0.008 1
1 903 . 3 1 1 A 76 76 GLY C C 76 171.758 173.673 -1.915 1
1 904 . 3 1 1 A 76 76 GLY CA C 76 44.661 44.903 -0.242 1
1 905 . 3 1 1 A 76 76 GLY N N 76 110.555 112.794 -2.239 1
1 906 . 3 1 1 A 77 77 PRO HA H 77 4.450 4.461 -0.011 1
1 913 . 3 1 1 A 77 77 PRO C C 77 177.458 177.377 0.081 1
1 914 . 3 1 1 A 77 77 PRO CA C 77 63.249 63.785 -0.536 1
1 915 . 3 1 1 A 77 77 PRO CB C 77 32.180 31.978 0.202 1
1 918 . 3 1 1 A 78 78 SER H H 78 8.525 8.319 0.206 1
1 919 . 3 1 1 A 78 78 SER HA H 78 4.471 4.095 0.376 1
1 922 . 3 1 1 A 78 78 SER C C 78 174.648 174.320 0.328 1
1 923 . 3 1 1 A 78 78 SER CA C 78 58.460 61.466 -3.006 1
1 924 . 3 1 1 A 78 78 SER CB C 78 63.885 62.960 0.925 1
1 925 . 3 1 1 A 78 78 SER N N 78 116.381 113.858 2.523 1
1 926 . 3 1 1 A 79 79 SER H H 79 8.309 8.139 0.170 1
1 927 . 3 1 1 A 79 79 SER HA H 79 4.457 4.042 0.415 1
1 930 . 3 1 1 A 79 79 SER C C 79 173.925 173.431 0.494 1
1 931 . 3 1 1 A 79 79 SER CA C 79 58.401 59.199 -0.798 1
1 932 . 3 1 1 A 79 79 SER CB C 79 64.132 62.177 1.955 1
1 933 . 3 1 1 A 79 79 SER N N 79 117.741 115.061 2.680 1
1 1 . 4 1 1 A 8 8 GLY HA2 H 8 4.031 4.056 -0.025 1
1 2 . 4 1 1 A 8 8 GLY HA3 H 8 4.031 4.056 -0.025 1
1 3 . 4 1 1 A 8 8 GLY C C 8 174.729 172.994 1.735 1
1 4 . 4 1 1 A 8 8 GLY CA C 8 45.278 45.616 -0.338 1
1 5 . 4 1 1 A 9 9 THR H H 9 8.248 8.683 -0.435 1
1 6 . 4 1 1 A 9 9 THR HA H 9 4.376 4.817 -0.441 1
1 11 . 4 1 1 A 9 9 THR C C 9 175.485 174.409 1.076 1
1 12 . 4 1 1 A 9 9 THR CA C 9 61.837 60.687 1.150 1
1 13 . 4 1 1 A 9 9 THR CB C 9 69.737 71.513 -1.776 1
1 15 . 4 1 1 A 9 9 THR N N 9 112.908 120.186 -7.278 1
1 16 . 4 1 1 A 10 10 GLY H H 10 8.581 8.490 0.091 1
1 17 . 4 1 1 A 10 10 GLY HA2 H 10 3.985 3.975 0.010 1
1 18 . 4 1 1 A 10 10 GLY HA3 H 10 3.985 3.975 0.010 1
1 19 . 4 1 1 A 10 10 GLY C C 10 174.705 173.003 1.702 1
1 20 . 4 1 1 A 10 10 GLY CA C 10 45.455 46.290 -0.835 1
1 21 . 4 1 1 A 10 10 GLY N N 10 111.487 113.590 -2.103 1
1 22 . 4 1 1 A 11 11 GLY H H 11 8.286 8.010 0.276 1
1 23 . 4 1 1 A 11 11 GLY HA2 H 11 3.958 4.085 -0.127 1
1 24 . 4 1 1 A 11 11 GLY HA3 H 11 3.958 4.085 -0.127 1
1 25 . 4 1 1 A 11 11 GLY C C 11 174.071 172.247 1.824 1
1 26 . 4 1 1 A 11 11 GLY CA C 11 45.101 44.666 0.435 1
1 27 . 4 1 1 A 11 11 GLY N N 11 108.887 107.279 1.608 1
1 28 . 4 1 1 A 12 12 GLU H H 12 8.333 8.496 -0.163 1
1 29 . 4 1 1 A 12 12 GLU HA H 12 4.271 4.501 -0.230 1
1 34 . 4 1 1 A 12 12 GLU C C 12 176.435 175.571 0.864 1
1 35 . 4 1 1 A 12 12 GLU CA C 12 56.278 56.276 0.002 1
1 36 . 4 1 1 A 12 12 GLU CB C 12 30.358 30.105 0.253 1
1 38 . 4 1 1 A 12 12 GLU N N 12 120.407 119.900 0.507 1
1 39 . 4 1 1 A 13 13 GLU H H 13 8.546 8.716 -0.170 1
1 40 . 4 1 1 A 13 13 GLU HA H 13 4.521 4.763 -0.242 1
1 45 . 4 1 1 A 13 13 GLU C C 13 174.648 174.292 0.356 1
1 46 . 4 1 1 A 13 13 GLU CA C 13 54.687 53.552 1.135 1
1 47 . 4 1 1 A 13 13 GLU CB C 13 29.688 29.969 -0.281 1
1 49 . 4 1 1 A 13 13 GLU N N 13 123.832 125.301 -1.469 1
1 50 . 4 1 1 A 14 14 PRO HA H 14 4.375 4.639 -0.264 1
1 57 . 4 1 1 A 14 14 PRO C C 14 177.117 176.505 0.612 1
1 58 . 4 1 1 A 14 14 PRO CA C 14 63.379 62.874 0.505 1
1 59 . 4 1 1 A 14 14 PRO CB C 14 32.003 32.019 -0.016 1
1 62 . 4 1 1 A 15 15 GLN H H 15 8.543 8.271 0.272 1
1 63 . 4 1 1 A 15 15 GLN HA H 15 4.230 4.664 -0.434 1
1 70 . 4 1 1 A 15 15 GLN C C 15 176.459 174.858 1.601 1
1 71 . 4 1 1 A 15 15 GLN CA C 15 56.171 55.258 0.913 1
1 72 . 4 1 1 A 15 15 GLN CB C 15 28.935 29.394 -0.459 1
1 74 . 4 1 1 A 15 15 GLN N N 15 120.153 118.604 1.549 1
1 76 . 4 1 1 A 16 16 ARG H H 16 8.337 8.801 -0.464 1
1 77 . 4 1 1 A 16 16 ARG HA H 16 4.219 5.042 -0.823 1
1 84 . 4 1 1 A 16 16 ARG C C 16 176.216 174.594 1.622 1
1 85 . 4 1 1 A 16 16 ARG CA C 16 56.809 54.549 2.260 1
1 86 . 4 1 1 A 16 16 ARG CB C 16 30.666 34.050 -3.384 1
1 89 . 4 1 1 A 16 16 ARG N N 16 122.090 124.732 -2.642 1
1 90 . 4 1 1 A 17 17 ASP H H 17 8.313 8.849 -0.536 1
1 91 . 4 1 1 A 17 17 ASP HA H 17 4.523 4.694 -0.171 1
1 94 . 4 1 1 A 17 17 ASP C C 17 176.727 175.509 1.218 1
1 95 . 4 1 1 A 17 17 ASP CA C 17 54.591 53.978 0.613 1
1 96 . 4 1 1 A 17 17 ASP CB C 17 41.097 42.039 -0.942 1
1 97 . 4 1 1 A 17 17 ASP N N 17 120.664 126.872 -6.208 1
1 98 . 4 1 1 A 18 18 LYS H H 18 8.276 8.748 -0.472 1
1 99 . 4 1 1 A 18 18 LYS HA H 18 4.175 4.570 -0.395 1
1 108 . 4 1 1 A 18 18 LYS C C 18 176.971 176.226 0.745 1
1 109 . 4 1 1 A 18 18 LYS CA C 18 56.971 56.828 0.143 1
1 110 . 4 1 1 A 18 18 LYS CB C 18 32.562 34.891 -2.329 1
1 114 . 4 1 1 A 18 18 LYS N N 18 122.504 120.538 1.966 1
1 115 . 4 1 1 A 19 19 ARG H H 19 8.240 7.635 0.605 1
1 116 . 4 1 1 A 19 19 ARG HA H 19 4.205 4.595 -0.390 1
1 123 . 4 1 1 A 19 19 ARG C C 19 176.532 175.380 1.152 1
1 124 . 4 1 1 A 19 19 ARG CA C 19 56.632 55.674 0.958 1
1 125 . 4 1 1 A 19 19 ARG CB C 19 30.647 31.483 -0.836 1
1 128 . 4 1 1 A 19 19 ARG N N 19 120.296 117.396 2.900 1
1 129 . 4 1 1 A 20 20 LEU H H 20 8.068 8.660 -0.592 1
1 130 . 4 1 1 A 20 20 LEU HA H 20 4.262 5.172 -0.910 1
1 140 . 4 1 1 A 20 20 LEU C C 20 177.288 175.184 2.104 1
1 141 . 4 1 1 A 20 20 LEU CA C 20 55.110 53.612 1.498 1
1 142 . 4 1 1 A 20 20 LEU CB C 20 42.081 45.498 -3.417 1
1 146 . 4 1 1 A 20 20 LEU N N 20 121.867 122.573 -0.706 1
1 147 . 4 1 1 A 21 21 ARG H H 21 8.226 8.775 -0.549 1
1 148 . 4 1 1 A 21 21 ARG HA H 21 4.413 4.678 -0.265 1
1 155 . 4 1 1 A 21 21 ARG C C 21 176.313 177.014 -0.701 1
1 156 . 4 1 1 A 21 21 ARG CA C 21 56.194 53.972 2.222 1
1 157 . 4 1 1 A 21 21 ARG CB C 21 30.996 32.621 -1.625 1
1 160 . 4 1 1 A 21 21 ARG N N 21 121.612 124.327 -2.715 1
1 161 . 4 1 1 A 22 22 THR H H 22 8.215 9.003 -0.788 1
1 162 . 4 1 1 A 22 22 THR HA H 22 4.405 4.000 0.405 1
1 167 . 4 1 1 A 22 22 THR C C 22 174.169 175.344 -1.175 1
1 168 . 4 1 1 A 22 22 THR CA C 22 61.963 66.887 -4.924 1
1 169 . 4 1 1 A 22 22 THR CB C 22 69.779 69.054 0.725 1
1 171 . 4 1 1 A 22 22 THR N N 22 114.661 116.037 -1.376 1
1 172 . 4 1 1 A 23 23 THR H H 23 8.087 7.468 0.619 1
1 173 . 4 1 1 A 23 23 THR HA H 23 4.308 4.271 0.037 1
1 178 . 4 1 1 A 23 23 THR C C 23 173.413 173.935 -0.522 1
1 179 . 4 1 1 A 23 23 THR CA C 23 62.158 62.372 -0.214 1
1 180 . 4 1 1 A 23 23 THR CB C 23 69.916 70.324 -0.408 1
1 182 . 4 1 1 A 23 23 THR N N 23 118.008 112.751 5.257 1
1 183 . 4 1 1 A 24 24 ILE H H 24 8.110 8.702 -0.592 1
1 184 . 4 1 1 A 24 24 ILE HA H 24 4.200 4.924 -0.724 1
1 194 . 4 1 1 A 24 24 ILE C C 24 176.654 175.699 0.955 1
1 195 . 4 1 1 A 24 24 ILE CA C 24 61.690 59.682 2.008 1
1 196 . 4 1 1 A 24 24 ILE CB C 24 39.487 42.259 -2.772 1
1 200 . 4 1 1 A 24 24 ILE N N 24 124.852 120.869 3.983 1
1 201 . 4 1 1 A 25 25 THR H H 25 9.023 8.309 0.714 1
1 202 . 4 1 1 A 25 25 THR HA H 25 4.564 4.963 -0.399 1
1 207 . 4 1 1 A 25 25 THR C C 25 173.433 174.149 -0.716 1
1 208 . 4 1 1 A 25 25 THR CA C 25 60.759 58.450 2.309 1
1 209 . 4 1 1 A 25 25 THR CB C 25 68.089 69.671 -1.582 1
1 211 . 4 1 1 A 25 25 THR N N 25 120.568 115.184 5.384 1
1 212 . 4 1 1 A 26 26 PRO HA H 26 4.172 4.558 -0.386 1
1 219 . 4 1 1 A 26 26 PRO C C 26 179.237 177.413 1.824 1
1 220 . 4 1 1 A 26 26 PRO CA C 26 65.917 64.435 1.482 1
1 221 . 4 1 1 A 26 26 PRO CB C 26 31.725 31.699 0.026 1
1 224 . 4 1 1 A 27 27 GLU H H 27 8.722 8.410 0.312 1
1 225 . 4 1 1 A 27 27 GLU HA H 27 4.006 4.302 -0.296 1
1 230 . 4 1 1 A 27 27 GLU C C 27 179.749 177.311 2.438 1
1 231 . 4 1 1 A 27 27 GLU CA C 27 60.353 57.368 2.985 1
1 232 . 4 1 1 A 27 27 GLU CB C 27 28.851 30.107 -1.256 1
1 234 . 4 1 1 A 27 27 GLU N N 27 117.087 117.538 -0.451 1
1 235 . 4 1 1 A 28 28 GLN H H 28 7.666 7.706 -0.040 1
1 236 . 4 1 1 A 28 28 GLN HA H 28 3.767 4.224 -0.457 1
1 243 . 4 1 1 A 28 28 GLN C C 28 177.872 177.898 -0.026 1
1 244 . 4 1 1 A 28 28 GLN CA C 28 58.821 57.628 1.193 1
1 245 . 4 1 1 A 28 28 GLN CB C 28 29.401 29.330 0.071 1
1 247 . 4 1 1 A 28 28 GLN N N 28 119.298 117.876 1.422 1
1 249 . 4 1 1 A 29 29 LEU H H 29 8.453 7.857 0.596 1
1 250 . 4 1 1 A 29 29 LEU HA H 29 3.484 3.514 -0.030 1
1 260 . 4 1 1 A 29 29 LEU C C 29 178.092 178.703 -0.611 1
1 261 . 4 1 1 A 29 29 LEU CA C 29 57.737 57.685 0.052 1
1 262 . 4 1 1 A 29 29 LEU CB C 29 41.578 41.599 -0.021 1
1 266 . 4 1 1 A 29 29 LEU N N 29 120.145 120.674 -0.529 1
1 267 . 4 1 1 A 30 30 GLU H H 30 7.607 8.393 -0.786 1
1 268 . 4 1 1 A 30 30 GLU HA H 30 4.069 4.122 -0.053 1
1 273 . 4 1 1 A 30 30 GLU C C 30 179.140 179.389 -0.249 1
1 274 . 4 1 1 A 30 30 GLU CA C 30 59.334 59.700 -0.366 1
1 275 . 4 1 1 A 30 30 GLU CB C 30 29.512 29.429 0.083 1
1 277 . 4 1 1 A 30 30 GLU N N 30 116.903 116.573 0.330 1
1 278 . 4 1 1 A 31 31 ILE H H 31 7.070 7.763 -0.693 1
1 279 . 4 1 1 A 31 31 ILE HA H 31 3.692 3.679 0.013 1
1 289 . 4 1 1 A 31 31 ILE C C 31 178.287 178.645 -0.358 1
1 290 . 4 1 1 A 31 31 ILE CA C 31 64.416 65.790 -1.374 1
1 291 . 4 1 1 A 31 31 ILE CB C 31 37.777 37.960 -0.183 1
1 295 . 4 1 1 A 31 31 ILE N N 31 118.947 121.033 -2.086 1
1 296 . 4 1 1 A 32 32 LEU H H 32 8.126 8.109 0.017 1
1 297 . 4 1 1 A 32 32 LEU HA H 32 3.418 3.848 -0.430 1
1 307 . 4 1 1 A 32 32 LEU C C 32 178.311 178.829 -0.518 1
1 308 . 4 1 1 A 32 32 LEU CA C 32 58.497 57.924 0.573 1
1 309 . 4 1 1 A 32 32 LEU CB C 32 38.146 41.147 -3.001 1
1 313 . 4 1 1 A 32 32 LEU N N 32 120.437 119.141 1.296 1
1 314 . 4 1 1 A 33 33 TYR H H 33 8.312 8.523 -0.211 1
1 315 . 4 1 1 A 33 33 TYR HA H 33 4.358 4.650 -0.292 1
1 322 . 4 1 1 A 33 33 TYR C C 33 178.214 178.546 -0.332 1
1 323 . 4 1 1 A 33 33 TYR CA C 33 62.645 61.000 1.645 1
1 324 . 4 1 1 A 33 33 TYR CB C 33 37.807 38.125 -0.318 1
1 329 . 4 1 1 A 33 33 TYR N N 33 117.248 118.027 -0.779 1
1 330 . 4 1 1 A 34 34 GLN H H 34 7.750 8.498 -0.748 1
1 331 . 4 1 1 A 34 34 GLN HA H 34 3.967 3.897 0.070 1
1 338 . 4 1 1 A 34 34 GLN C C 34 180.065 179.243 0.822 1
1 339 . 4 1 1 A 34 34 GLN CA C 34 59.143 59.448 -0.305 1
1 340 . 4 1 1 A 34 34 GLN CB C 34 27.781 28.933 -1.152 1
1 342 . 4 1 1 A 34 34 GLN N N 34 117.509 117.942 -0.433 1
1 344 . 4 1 1 A 35 35 LYS H H 35 8.381 8.031 0.350 1
1 345 . 4 1 1 A 35 35 LYS HA H 35 4.132 4.196 -0.064 1
1 354 . 4 1 1 A 35 35 LYS C C 35 179.456 178.591 0.865 1
1 355 . 4 1 1 A 35 35 LYS CA C 35 57.839 58.876 -1.037 1
1 356 . 4 1 1 A 35 35 LYS CB C 35 31.487 32.764 -1.277 1
1 360 . 4 1 1 A 35 35 LYS N N 35 117.671 120.422 -2.751 1
1 361 . 4 1 1 A 36 36 TYR H H 36 9.036 8.534 0.502 1
1 362 . 4 1 1 A 36 36 TYR HA H 36 4.164 4.759 -0.595 1
1 369 . 4 1 1 A 36 36 TYR C C 36 176.630 177.459 -0.829 1
1 370 . 4 1 1 A 36 36 TYR CA C 36 61.726 61.483 0.243 1
1 371 . 4 1 1 A 36 36 TYR CB C 36 38.579 38.478 0.101 1
1 376 . 4 1 1 A 36 36 TYR N N 36 124.434 122.844 1.590 1
1 377 . 4 1 1 A 37 37 LEU H H 37 7.848 8.990 -1.142 1
1 378 . 4 1 1 A 37 37 LEU HA H 37 3.918 3.797 0.121 1
1 388 . 4 1 1 A 37 37 LEU C C 37 179.334 179.638 -0.304 1
1 389 . 4 1 1 A 37 37 LEU CA C 37 56.827 58.064 -1.237 1
1 390 . 4 1 1 A 37 37 LEU CB C 37 42.069 41.680 0.389 1
1 394 . 4 1 1 A 37 37 LEU N N 37 116.192 120.084 -3.892 1
1 395 . 4 1 1 A 38 38 LEU H H 38 7.230 7.328 -0.098 1
1 396 . 4 1 1 A 38 38 LEU HA H 38 4.150 4.255 -0.105 1
1 406 . 4 1 1 A 38 38 LEU C C 38 178.116 176.152 1.964 1
1 407 . 4 1 1 A 38 38 LEU CA C 38 56.915 56.866 0.049 1
1 408 . 4 1 1 A 38 38 LEU CB C 38 42.336 42.343 -0.007 1
1 412 . 4 1 1 A 38 38 LEU N N 38 118.422 113.219 5.203 1
1 413 . 4 1 1 A 39 39 ASP H H 39 7.543 8.360 -0.817 1
1 414 . 4 1 1 A 39 39 ASP HA H 39 4.364 4.965 -0.601 1
1 417 . 4 1 1 A 39 39 ASP C C 39 174.778 175.857 -1.079 1
1 418 . 4 1 1 A 39 39 ASP CA C 39 54.731 52.973 1.758 1
1 419 . 4 1 1 A 39 39 ASP CB C 39 41.134 42.445 -1.311 1
1 420 . 4 1 1 A 39 39 ASP N N 39 117.417 120.045 -2.628 1
1 421 . 4 1 1 A 40 40 SER H H 40 8.240 8.735 -0.495 1
1 422 . 4 1 1 A 40 40 SER HA H 40 3.984 4.635 -0.651 1
1 425 . 4 1 1 A 40 40 SER C C 40 174.169 174.325 -0.156 1
1 426 . 4 1 1 A 40 40 SER CA C 40 58.825 58.829 -0.004 1
1 427 . 4 1 1 A 40 40 SER CB C 40 63.964 63.898 0.066 1
1 428 . 4 1 1 A 40 40 SER N N 40 119.077 121.642 -2.565 1
1 429 . 4 1 1 A 41 41 ASN H H 41 8.711 7.681 1.030 1
1 430 . 4 1 1 A 41 41 ASN HA H 41 5.007 5.245 -0.238 1
1 435 . 4 1 1 A 41 41 ASN C C 41 171.078 172.366 -1.288 1
1 436 . 4 1 1 A 41 41 ASN CA C 41 51.291 50.856 0.435 1
1 437 . 4 1 1 A 41 41 ASN CB C 41 39.815 39.507 0.308 1
1 438 . 4 1 1 A 41 41 ASN N N 41 119.546 119.431 0.115 1
1 440 . 4 1 1 A 42 42 PRO HA H 42 4.408 4.691 -0.283 1
1 447 . 4 1 1 A 42 42 PRO C C 42 177.028 175.993 1.035 1
1 448 . 4 1 1 A 42 42 PRO CA C 42 62.678 62.570 0.108 1
1 449 . 4 1 1 A 42 42 PRO CB C 42 31.869 32.542 -0.673 1
1 452 . 4 1 1 A 43 43 THR H H 43 7.797 8.405 -0.608 1
1 453 . 4 1 1 A 43 43 THR HA H 43 4.205 4.606 -0.401 1
1 458 . 4 1 1 A 43 43 THR C C 43 174.729 175.243 -0.514 1
1 459 . 4 1 1 A 43 43 THR CA C 43 60.690 60.265 0.425 1
1 460 . 4 1 1 A 43 43 THR CB C 43 71.138 70.614 0.524 1
1 462 . 4 1 1 A 43 43 THR N N 43 111.399 116.658 -5.259 1
1 463 . 4 1 1 A 44 44 ARG H H 44 8.718 8.979 -0.261 1
1 464 . 4 1 1 A 44 44 ARG HA H 44 3.863 3.910 -0.047 1
1 471 . 4 1 1 A 44 44 ARG C C 44 178.384 177.901 0.483 1
1 472 . 4 1 1 A 44 44 ARG CA C 44 60.014 59.906 0.108 1
1 473 . 4 1 1 A 44 44 ARG CB C 44 29.512 30.045 -0.533 1
1 476 . 4 1 1 A 44 44 ARG N N 44 120.640 126.998 -6.358 1
1 477 . 4 1 1 A 45 45 LYS H H 45 8.142 7.840 0.302 1
1 478 . 4 1 1 A 45 45 LYS HA H 45 4.070 3.996 0.074 1
1 487 . 4 1 1 A 45 45 LYS C C 45 179.334 178.525 0.809 1
1 488 . 4 1 1 A 45 45 LYS CA C 45 59.170 59.381 -0.211 1
1 489 . 4 1 1 A 45 45 LYS CB C 45 32.457 32.386 0.071 1
1 493 . 4 1 1 A 45 45 LYS N N 45 117.851 119.400 -1.549 1
1 494 . 4 1 1 A 46 46 MET H H 46 7.560 8.187 -0.627 1
1 495 . 4 1 1 A 46 46 MET HA H 46 4.329 4.125 0.204 1
1 503 . 4 1 1 A 46 46 MET C C 46 178.774 178.825 -0.051 1
1 504 . 4 1 1 A 46 46 MET CA C 46 57.799 58.641 -0.842 1
1 505 . 4 1 1 A 46 46 MET CB C 46 32.210 32.816 -0.606 1
1 508 . 4 1 1 A 46 46 MET N N 46 119.433 118.398 1.035 1
1 509 . 4 1 1 A 47 47 LEU H H 47 8.624 8.067 0.557 1
1 510 . 4 1 1 A 47 47 LEU HA H 47 3.758 3.772 -0.014 1
1 520 . 4 1 1 A 47 47 LEU C C 47 178.701 178.904 -0.203 1
1 521 . 4 1 1 A 47 47 LEU CA C 47 58.648 58.053 0.595 1
1 522 . 4 1 1 A 47 47 LEU CB C 47 42.248 41.523 0.725 1
1 526 . 4 1 1 A 47 47 LEU N N 47 120.980 119.601 1.379 1
1 527 . 4 1 1 A 48 48 ASP H H 48 7.891 8.213 -0.322 1
1 528 . 4 1 1 A 48 48 ASP HA H 48 4.275 4.322 -0.047 1
1 531 . 4 1 1 A 48 48 ASP C C 48 178.798 178.233 0.565 1
1 532 . 4 1 1 A 48 48 ASP CA C 48 57.662 57.363 0.299 1
1 533 . 4 1 1 A 48 48 ASP CB C 48 40.347 41.251 -0.904 1
1 534 . 4 1 1 A 48 48 ASP N N 48 119.025 119.744 -0.719 1
1 535 . 4 1 1 A 49 49 HIS H H 49 7.760 8.006 -0.246 1
1 536 . 4 1 1 A 49 49 HIS HA H 49 4.390 4.278 0.112 1
1 540 . 4 1 1 A 49 49 HIS C C 49 178.287 177.144 1.143 1
1 541 . 4 1 1 A 49 49 HIS CA C 49 59.930 60.014 -0.084 1
1 542 . 4 1 1 A 49 49 HIS CB C 49 30.348 30.197 0.151 1
1 544 . 4 1 1 A 49 49 HIS N N 49 120.629 119.008 1.621 1
1 545 . 4 1 1 A 50 50 ILE H H 50 8.934 8.636 0.298 1
1 546 . 4 1 1 A 50 50 ILE HA H 50 3.619 3.597 0.022 1
1 556 . 4 1 1 A 50 50 ILE C C 50 177.410 178.359 -0.949 1
1 557 . 4 1 1 A 50 50 ILE CA C 50 65.779 65.641 0.138 1
1 558 . 4 1 1 A 50 50 ILE CB C 50 38.622 37.737 0.885 1
1 562 . 4 1 1 A 50 50 ILE N N 50 120.913 120.104 0.809 1
1 563 . 4 1 1 A 51 51 ALA H H 51 8.423 7.956 0.467 1
1 564 . 4 1 1 A 51 51 ALA HA H 51 3.859 4.130 -0.271 1
1 568 . 4 1 1 A 51 51 ALA C C 51 179.213 179.906 -0.693 1
1 569 . 4 1 1 A 51 51 ALA CA C 51 56.348 54.566 1.782 1
1 570 . 4 1 1 A 51 51 ALA CB C 51 17.292 18.270 -0.978 1
1 571 . 4 1 1 A 51 51 ALA N N 51 120.695 120.842 -0.147 1
1 572 . 4 1 1 A 52 52 HIS H H 52 7.735 8.211 -0.476 1
1 573 . 4 1 1 A 52 52 HIS HA H 52 4.273 4.177 0.096 1
1 577 . 4 1 1 A 52 52 HIS C C 52 177.799 177.225 0.574 1
1 578 . 4 1 1 A 52 52 HIS CA C 52 59.406 59.230 0.176 1
1 579 . 4 1 1 A 52 52 HIS CB C 52 29.842 29.676 0.166 1
1 581 . 4 1 1 A 52 52 HIS N N 52 115.822 118.365 -2.543 1
1 582 . 4 1 1 A 53 53 GLU H H 53 8.299 8.231 0.068 1
1 583 . 4 1 1 A 53 53 GLU HA H 53 3.842 3.875 -0.033 1
1 588 . 4 1 1 A 53 53 GLU C C 53 178.652 178.209 0.443 1
1 589 . 4 1 1 A 53 53 GLU CA C 53 59.434 59.248 0.186 1
1 590 . 4 1 1 A 53 53 GLU CB C 53 30.204 29.100 1.104 1
1 592 . 4 1 1 A 53 53 GLU N N 53 120.073 117.679 2.394 1
1 593 . 4 1 1 A 54 54 VAL H H 54 8.446 7.762 0.684 1
1 594 . 4 1 1 A 54 54 VAL HA H 54 4.150 3.968 0.182 1
1 602 . 4 1 1 A 54 54 VAL C C 54 175.899 176.712 -0.813 1
1 603 . 4 1 1 A 54 54 VAL CA C 54 62.001 64.206 -2.205 1
1 604 . 4 1 1 A 54 54 VAL CB C 54 33.000 31.861 1.139 1
1 607 . 4 1 1 A 54 54 VAL N N 54 112.194 118.700 -6.506 1
1 608 . 4 1 1 A 55 55 GLY H H 55 7.879 8.088 -0.209 1
1 609 . 4 1 1 A 55 55 GLY HA2 H 55 3.975 3.871 0.104 1
1 610 . 4 1 1 A 55 55 GLY HA3 H 55 3.814 3.896 -0.082 1
1 611 . 4 1 1 A 55 55 GLY C C 55 174.461 174.044 0.417 1
1 612 . 4 1 1 A 55 55 GLY CA C 55 46.551 46.414 0.137 1
1 613 . 4 1 1 A 55 55 GLY N N 55 111.306 110.124 1.182 1
1 614 . 4 1 1 A 56 56 LEU H H 56 7.766 7.364 0.402 1
1 615 . 4 1 1 A 56 56 LEU HA H 56 4.825 4.845 -0.020 1
1 625 . 4 1 1 A 56 56 LEU C C 56 175.704 175.677 0.027 1
1 626 . 4 1 1 A 56 56 LEU CA C 56 52.223 53.386 -1.163 1
1 627 . 4 1 1 A 56 56 LEU CB C 56 47.913 45.733 2.180 1
1 631 . 4 1 1 A 56 56 LEU N N 56 119.685 121.020 -1.335 1
1 632 . 4 1 1 A 57 57 LYS H H 57 8.268 8.462 -0.194 1
1 633 . 4 1 1 A 57 57 LYS HA H 57 4.212 4.147 0.065 1
1 642 . 4 1 1 A 57 57 LYS C C 57 178.555 177.725 0.830 1
1 643 . 4 1 1 A 57 57 LYS CA C 57 56.375 57.311 -0.936 1
1 644 . 4 1 1 A 57 57 LYS CB C 57 32.750 32.432 0.318 1
1 648 . 4 1 1 A 57 57 LYS N N 57 118.380 125.078 -6.698 1
1 649 . 4 1 1 A 58 58 LYS H H 58 8.853 9.011 -0.158 1
1 650 . 4 1 1 A 58 58 LYS HA H 58 3.670 3.790 -0.120 1
1 659 . 4 1 1 A 58 58 LYS C C 58 178.652 178.175 0.477 1
1 660 . 4 1 1 A 58 58 LYS CA C 58 61.026 60.421 0.605 1
1 661 . 4 1 1 A 58 58 LYS CB C 58 31.655 32.173 -0.518 1
1 665 . 4 1 1 A 58 58 LYS N N 58 123.883 126.218 -2.335 1
1 666 . 4 1 1 A 59 59 ARG H H 59 8.834 7.661 1.173 1
1 667 . 4 1 1 A 59 59 ARG HA H 59 4.120 4.120 0.000 1
1 674 . 4 1 1 A 59 59 ARG C C 59 177.872 178.813 -0.941 1
1 675 . 4 1 1 A 59 59 ARG CA C 59 58.851 58.838 0.013 1
1 676 . 4 1 1 A 59 59 ARG CB C 59 29.832 29.706 0.126 1
1 679 . 4 1 1 A 59 59 ARG N N 59 117.315 119.759 -2.444 1
1 680 . 4 1 1 A 60 60 VAL H H 60 6.892 8.106 -1.214 1
1 681 . 4 1 1 A 60 60 VAL HA H 60 3.677 3.771 -0.094 1
1 689 . 4 1 1 A 60 60 VAL C C 60 178.701 178.663 0.038 1
1 690 . 4 1 1 A 60 60 VAL CA C 60 65.741 66.104 -0.363 1
1 691 . 4 1 1 A 60 60 VAL CB C 60 31.520 31.529 -0.009 1
1 694 . 4 1 1 A 60 60 VAL N N 60 117.560 119.541 -1.981 1
1 695 . 4 1 1 A 61 61 VAL H H 61 7.394 8.127 -0.733 1
1 696 . 4 1 1 A 61 61 VAL HA H 61 3.647 3.686 -0.039 1
1 704 . 4 1 1 A 61 61 VAL C C 61 177.385 178.343 -0.958 1
1 705 . 4 1 1 A 61 61 VAL CA C 61 67.232 66.781 0.451 1
1 706 . 4 1 1 A 61 61 VAL CB C 61 32.125 31.559 0.566 1
1 709 . 4 1 1 A 61 61 VAL N N 61 119.625 120.996 -1.371 1
1 710 . 4 1 1 A 62 62 GLN H H 62 8.681 8.452 0.229 1
1 711 . 4 1 1 A 62 62 GLN HA H 62 4.047 3.981 0.066 1
1 718 . 4 1 1 A 62 62 GLN C C 62 178.798 178.494 0.304 1
1 719 . 4 1 1 A 62 62 GLN CA C 62 60.169 59.000 1.169 1
1 720 . 4 1 1 A 62 62 GLN CB C 62 28.935 28.553 0.382 1
1 722 . 4 1 1 A 62 62 GLN N N 62 119.803 120.231 -0.428 1
1 724 . 4 1 1 A 63 63 VAL H H 63 8.279 8.490 -0.211 1
1 725 . 4 1 1 A 63 63 VAL HA H 63 3.703 3.632 0.071 1
1 733 . 4 1 1 A 63 63 VAL C C 63 177.263 178.050 -0.787 1
1 734 . 4 1 1 A 63 63 VAL CA C 63 66.384 66.374 0.010 1
1 735 . 4 1 1 A 63 63 VAL CB C 63 31.983 31.816 0.167 1
1 738 . 4 1 1 A 63 63 VAL N N 63 120.104 119.131 0.973 1
1 739 . 4 1 1 A 64 64 TRP H H 64 8.376 8.299 0.077 1
1 740 . 4 1 1 A 64 64 TRP HA H 64 4.015 4.183 -0.168 1
1 749 . 4 1 1 A 64 64 TRP C C 64 180.309 178.004 2.305 1
1 750 . 4 1 1 A 64 64 TRP CA C 64 63.421 60.580 2.841 1
1 751 . 4 1 1 A 64 64 TRP CB C 64 28.382 29.923 -1.541 1
1 757 . 4 1 1 A 64 64 TRP N N 64 122.121 121.614 0.507 1
1 759 . 4 1 1 A 65 65 PHE H H 65 9.032 8.191 0.841 1
1 760 . 4 1 1 A 65 65 PHE HA H 65 3.662 4.296 -0.634 1
1 768 . 4 1 1 A 65 65 PHE C C 65 178.214 178.741 -0.527 1
1 769 . 4 1 1 A 65 65 PHE CA C 65 63.919 61.043 2.876 1
1 770 . 4 1 1 A 65 65 PHE CB C 65 39.512 39.678 -0.166 1
1 776 . 4 1 1 A 65 65 PHE N N 65 120.975 116.852 4.123 1
1 777 . 4 1 1 A 66 66 GLN H H 66 8.021 7.998 0.023 1
1 778 . 4 1 1 A 66 66 GLN HA H 66 3.957 4.061 -0.104 1
1 785 . 4 1 1 A 66 66 GLN C C 66 179.066 177.786 1.280 1
1 786 . 4 1 1 A 66 66 GLN CA C 66 59.426 58.650 0.776 1
1 787 . 4 1 1 A 66 66 GLN CB C 66 28.536 28.566 -0.030 1
1 789 . 4 1 1 A 66 66 GLN N N 66 117.887 117.037 0.850 1
1 791 . 4 1 1 A 67 67 ASN H H 67 8.807 8.115 0.692 1
1 792 . 4 1 1 A 67 67 ASN HA H 67 4.331 4.438 -0.107 1
1 797 . 4 1 1 A 67 67 ASN C C 67 177.775 177.849 -0.074 1
1 798 . 4 1 1 A 67 67 ASN CA C 67 55.461 56.047 -0.586 1
1 799 . 4 1 1 A 67 67 ASN CB C 67 37.718 38.632 -0.914 1
1 800 . 4 1 1 A 67 67 ASN N N 67 119.312 118.591 0.721 1
1 802 . 4 1 1 A 68 68 THR H H 68 8.092 7.430 0.662 1
1 803 . 4 1 1 A 68 68 THR HA H 68 3.262 3.356 -0.094 1
1 808 . 4 1 1 A 68 68 THR C C 68 175.972 176.242 -0.270 1
1 809 . 4 1 1 A 68 68 THR CA C 68 66.903 66.663 0.240 1
1 810 . 4 1 1 A 68 68 THR CB C 68 67.800 67.936 -0.136 1
1 812 . 4 1 1 A 68 68 THR N N 68 120.500 116.474 4.026 1
1 813 . 4 1 1 A 69 69 ARG H H 69 8.154 8.121 0.033 1
1 814 . 4 1 1 A 69 69 ARG HA H 69 4.362 4.073 0.289 1
1 821 . 4 1 1 A 69 69 ARG C C 69 179.432 178.774 0.658 1
1 822 . 4 1 1 A 69 69 ARG CA C 69 59.805 59.924 -0.119 1
1 823 . 4 1 1 A 69 69 ARG CB C 69 31.490 30.182 1.308 1
1 826 . 4 1 1 A 69 69 ARG N N 69 121.451 119.334 2.117 1
1 827 . 4 1 1 A 70 70 ALA H H 70 7.686 7.799 -0.113 1
1 828 . 4 1 1 A 70 70 ALA HA H 70 4.107 4.033 0.074 1
1 832 . 4 1 1 A 70 70 ALA C C 70 179.724 180.054 -0.330 1
1 833 . 4 1 1 A 70 70 ALA CA C 70 54.512 55.024 -0.512 1
1 834 . 4 1 1 A 70 70 ALA CB C 70 18.187 18.411 -0.224 1
1 835 . 4 1 1 A 70 70 ALA N N 70 119.887 121.584 -1.697 1
1 836 . 4 1 1 A 71 71 ARG H H 71 7.588 7.559 0.029 1
1 837 . 4 1 1 A 71 71 ARG HA H 71 4.073 4.057 0.016 1
1 844 . 4 1 1 A 71 71 ARG C C 71 177.775 179.245 -1.470 1
1 845 . 4 1 1 A 71 71 ARG CA C 71 57.849 59.525 -1.676 1
1 846 . 4 1 1 A 71 71 ARG CB C 71 30.419 30.290 0.129 1
1 849 . 4 1 1 A 71 71 ARG N N 71 117.554 117.439 0.115 1
1 850 . 4 1 1 A 72 72 GLU H H 72 7.776 7.982 -0.206 1
1 851 . 4 1 1 A 72 72 GLU HA H 72 4.129 4.024 0.105 1
1 856 . 4 1 1 A 72 72 GLU C C 72 177.190 179.067 -1.877 1
1 857 . 4 1 1 A 72 72 GLU CA C 72 57.625 59.292 -1.667 1
1 858 . 4 1 1 A 72 72 GLU CB C 72 29.815 29.433 0.382 1
1 860 . 4 1 1 A 72 72 GLU N N 72 119.019 119.647 -0.628 1
1 861 . 4 1 1 A 73 73 ARG H H 73 7.956 8.795 -0.839 1
1 862 . 4 1 1 A 73 73 ARG HA H 73 4.228 4.147 0.081 1
1 869 . 4 1 1 A 73 73 ARG C C 73 176.581 176.905 -0.324 1
1 870 . 4 1 1 A 73 73 ARG CA C 73 56.773 58.199 -1.426 1
1 871 . 4 1 1 A 73 73 ARG CB C 73 30.254 29.411 0.843 1
1 874 . 4 1 1 A 73 73 ARG N N 73 119.948 118.939 1.009 1
1 875 . 4 1 1 A 74 74 LYS H H 74 8.155 8.072 0.083 1
1 876 . 4 1 1 A 74 74 LYS HA H 74 4.329 4.344 -0.015 1
1 885 . 4 1 1 A 74 74 LYS C C 74 176.703 177.234 -0.531 1
1 886 . 4 1 1 A 74 74 LYS CA C 74 56.458 55.093 1.365 1
1 887 . 4 1 1 A 74 74 LYS CB C 74 32.825 30.854 1.971 1
1 891 . 4 1 1 A 74 74 LYS N N 74 121.577 120.689 0.888 1
1 892 . 4 1 1 A 75 75 SER H H 75 8.246 7.958 0.288 1
1 893 . 4 1 1 A 75 75 SER HA H 75 4.474 4.112 0.362 1
1 896 . 4 1 1 A 75 75 SER C C 75 174.486 176.714 -2.228 1
1 897 . 4 1 1 A 75 75 SER CA C 75 58.365 62.397 -4.032 1
1 898 . 4 1 1 A 75 75 SER CB C 75 63.967 62.999 0.968 1
1 899 . 4 1 1 A 75 75 SER N N 75 116.340 119.207 -2.867 1
1 900 . 4 1 1 A 76 76 GLY H H 76 8.205 8.121 0.084 1
1 901 . 4 1 1 A 76 76 GLY HA2 H 76 4.118 3.700 0.418 1
1 902 . 4 1 1 A 76 76 GLY HA3 H 76 4.118 3.701 0.417 1
1 903 . 4 1 1 A 76 76 GLY C C 76 171.758 174.449 -2.691 1
1 904 . 4 1 1 A 76 76 GLY CA C 76 44.661 47.188 -2.527 1
1 905 . 4 1 1 A 76 76 GLY N N 76 110.555 109.463 1.092 1
1 906 . 4 1 1 A 77 77 PRO HA H 77 4.450 4.625 -0.175 1
1 913 . 4 1 1 A 77 77 PRO C C 77 177.458 176.446 1.012 1
1 914 . 4 1 1 A 77 77 PRO CA C 77 63.249 62.894 0.355 1
1 915 . 4 1 1 A 77 77 PRO CB C 77 32.180 31.825 0.355 1
1 918 . 4 1 1 A 78 78 SER H H 78 8.525 8.349 0.176 1
1 919 . 4 1 1 A 78 78 SER HA H 78 4.471 5.081 -0.610 1
1 922 . 4 1 1 A 78 78 SER C C 78 174.648 172.857 1.791 1
1 923 . 4 1 1 A 78 78 SER CA C 78 58.460 56.596 1.864 1
1 924 . 4 1 1 A 78 78 SER CB C 78 63.885 65.735 -1.850 1
1 925 . 4 1 1 A 78 78 SER N N 78 116.381 114.859 1.522 1
1 926 . 4 1 1 A 79 79 SER H H 79 8.309 8.515 -0.206 1
1 927 . 4 1 1 A 79 79 SER HA H 79 4.457 4.255 0.202 1
1 930 . 4 1 1 A 79 79 SER C C 79 173.925 174.008 -0.083 1
1 931 . 4 1 1 A 79 79 SER CA C 79 58.401 59.697 -1.296 1
1 932 . 4 1 1 A 79 79 SER CB C 79 64.132 62.773 1.359 1
1 933 . 4 1 1 A 79 79 SER N N 79 117.741 116.623 1.118 1
1 1 . 5 1 1 A 8 8 GLY HA2 H 8 4.031 4.141 -0.110 1
1 2 . 5 1 1 A 8 8 GLY HA3 H 8 4.031 4.141 -0.110 1
1 3 . 5 1 1 A 8 8 GLY C C 8 174.729 173.127 1.602 1
1 4 . 5 1 1 A 8 8 GLY CA C 8 45.278 45.491 -0.213 1
1 5 . 5 1 1 A 9 9 THR H H 9 8.248 8.486 -0.238 1
1 6 . 5 1 1 A 9 9 THR HA H 9 4.376 4.383 -0.007 1
1 11 . 5 1 1 A 9 9 THR C C 9 175.485 176.125 -0.640 1
1 12 . 5 1 1 A 9 9 THR CA C 9 61.837 61.930 -0.093 1
1 13 . 5 1 1 A 9 9 THR CB C 9 69.737 69.969 -0.232 1
1 15 . 5 1 1 A 9 9 THR N N 9 112.908 111.891 1.017 1
1 16 . 5 1 1 A 10 10 GLY H H 10 8.581 8.662 -0.081 1
1 17 . 5 1 1 A 10 10 GLY HA2 H 10 3.985 3.903 0.082 1
1 18 . 5 1 1 A 10 10 GLY HA3 H 10 3.985 3.904 0.081 1
1 19 . 5 1 1 A 10 10 GLY C C 10 174.705 174.262 0.443 1
1 20 . 5 1 1 A 10 10 GLY CA C 10 45.455 46.558 -1.103 1
1 21 . 5 1 1 A 10 10 GLY N N 10 111.487 109.878 1.609 1
1 22 . 5 1 1 A 11 11 GLY H H 11 8.286 7.523 0.763 1
1 23 . 5 1 1 A 11 11 GLY HA2 H 11 3.958 4.121 -0.163 1
1 24 . 5 1 1 A 11 11 GLY HA3 H 11 3.958 4.126 -0.168 1
1 25 . 5 1 1 A 11 11 GLY C C 11 174.071 173.237 0.834 1
1 26 . 5 1 1 A 11 11 GLY CA C 11 45.101 46.212 -1.111 1
1 27 . 5 1 1 A 11 11 GLY N N 11 108.887 107.219 1.668 1
1 28 . 5 1 1 A 12 12 GLU H H 12 8.333 8.064 0.269 1
1 29 . 5 1 1 A 12 12 GLU HA H 12 4.271 4.363 -0.092 1
1 34 . 5 1 1 A 12 12 GLU C C 12 176.435 175.873 0.562 1
1 35 . 5 1 1 A 12 12 GLU CA C 12 56.278 56.419 -0.141 1
1 36 . 5 1 1 A 12 12 GLU CB C 12 30.358 30.151 0.207 1
1 38 . 5 1 1 A 12 12 GLU N N 12 120.407 123.139 -2.732 1
1 39 . 5 1 1 A 13 13 GLU H H 13 8.546 8.536 0.010 1
1 40 . 5 1 1 A 13 13 GLU HA H 13 4.521 4.780 -0.259 1
1 45 . 5 1 1 A 13 13 GLU C C 13 174.648 176.226 -1.578 1
1 46 . 5 1 1 A 13 13 GLU CA C 13 54.687 53.309 1.378 1
1 47 . 5 1 1 A 13 13 GLU CB C 13 29.688 30.407 -0.719 1
1 49 . 5 1 1 A 13 13 GLU N N 13 123.832 126.141 -2.309 1
1 50 . 5 1 1 A 14 14 PRO HA H 14 4.375 4.540 -0.165 1
1 57 . 5 1 1 A 14 14 PRO C C 14 177.117 176.322 0.795 1
1 58 . 5 1 1 A 14 14 PRO CA C 14 63.379 63.882 -0.503 1
1 59 . 5 1 1 A 14 14 PRO CB C 14 32.003 31.817 0.186 1
1 62 . 5 1 1 A 15 15 GLN H H 15 8.543 7.962 0.581 1
1 63 . 5 1 1 A 15 15 GLN HA H 15 4.230 4.557 -0.327 1
1 70 . 5 1 1 A 15 15 GLN C C 15 176.459 175.509 0.950 1
1 71 . 5 1 1 A 15 15 GLN CA C 15 56.171 55.696 0.475 1
1 72 . 5 1 1 A 15 15 GLN CB C 15 28.935 29.480 -0.545 1
1 74 . 5 1 1 A 15 15 GLN N N 15 120.153 119.759 0.394 1
1 76 . 5 1 1 A 16 16 ARG H H 16 8.337 8.881 -0.544 1
1 77 . 5 1 1 A 16 16 ARG HA H 16 4.219 5.039 -0.820 1
1 84 . 5 1 1 A 16 16 ARG C C 16 176.216 174.589 1.627 1
1 85 . 5 1 1 A 16 16 ARG CA C 16 56.809 54.437 2.372 1
1 86 . 5 1 1 A 16 16 ARG CB C 16 30.666 33.630 -2.964 1
1 89 . 5 1 1 A 16 16 ARG N N 16 122.090 121.332 0.758 1
1 90 . 5 1 1 A 17 17 ASP H H 17 8.313 8.530 -0.217 1
1 91 . 5 1 1 A 17 17 ASP HA H 17 4.523 5.214 -0.691 1
1 94 . 5 1 1 A 17 17 ASP C C 17 176.727 175.871 0.856 1
1 95 . 5 1 1 A 17 17 ASP CA C 17 54.591 53.006 1.585 1
1 96 . 5 1 1 A 17 17 ASP CB C 17 41.097 42.093 -0.996 1
1 97 . 5 1 1 A 17 17 ASP N N 17 120.664 121.288 -0.624 1
1 98 . 5 1 1 A 18 18 LYS H H 18 8.276 8.685 -0.409 1
1 99 . 5 1 1 A 18 18 LYS HA H 18 4.175 4.365 -0.190 1
1 108 . 5 1 1 A 18 18 LYS C C 18 176.971 176.677 0.294 1
1 109 . 5 1 1 A 18 18 LYS CA C 18 56.971 57.668 -0.697 1
1 110 . 5 1 1 A 18 18 LYS CB C 18 32.562 33.687 -1.125 1
1 114 . 5 1 1 A 18 18 LYS N N 18 122.504 123.714 -1.210 1
1 115 . 5 1 1 A 19 19 ARG H H 19 8.240 7.662 0.578 1
1 116 . 5 1 1 A 19 19 ARG HA H 19 4.205 4.298 -0.093 1
1 123 . 5 1 1 A 19 19 ARG C C 19 176.532 175.210 1.322 1
1 124 . 5 1 1 A 19 19 ARG CA C 19 56.632 56.614 0.018 1
1 125 . 5 1 1 A 19 19 ARG CB C 19 30.647 30.650 -0.003 1
1 128 . 5 1 1 A 19 19 ARG N N 19 120.296 119.937 0.359 1
1 129 . 5 1 1 A 20 20 LEU H H 20 8.068 8.536 -0.468 1
1 130 . 5 1 1 A 20 20 LEU HA H 20 4.262 4.972 -0.710 1
1 140 . 5 1 1 A 20 20 LEU C C 20 177.288 176.386 0.902 1
1 141 . 5 1 1 A 20 20 LEU CA C 20 55.110 53.325 1.785 1
1 142 . 5 1 1 A 20 20 LEU CB C 20 42.081 45.770 -3.689 1
1 146 . 5 1 1 A 20 20 LEU N N 20 121.867 127.802 -5.935 1
1 147 . 5 1 1 A 21 21 ARG H H 21 8.226 8.772 -0.546 1
1 148 . 5 1 1 A 21 21 ARG HA H 21 4.413 4.335 0.078 1
1 155 . 5 1 1 A 21 21 ARG C C 21 176.313 177.622 -1.309 1
1 156 . 5 1 1 A 21 21 ARG CA C 21 56.194 56.499 -0.305 1
1 157 . 5 1 1 A 21 21 ARG CB C 21 30.996 30.608 0.388 1
1 160 . 5 1 1 A 21 21 ARG N N 21 121.612 121.295 0.317 1
1 161 . 5 1 1 A 22 22 THR H H 22 8.215 8.702 -0.487 1
1 162 . 5 1 1 A 22 22 THR HA H 22 4.405 4.212 0.193 1
1 167 . 5 1 1 A 22 22 THR C C 22 174.169 175.191 -1.022 1
1 168 . 5 1 1 A 22 22 THR CA C 22 61.963 64.674 -2.711 1
1 169 . 5 1 1 A 22 22 THR CB C 22 69.779 68.658 1.121 1
1 171 . 5 1 1 A 22 22 THR N N 22 114.661 114.751 -0.090 1
1 172 . 5 1 1 A 23 23 THR H H 23 8.087 7.504 0.583 1
1 173 . 5 1 1 A 23 23 THR HA H 23 4.308 4.363 -0.055 1
1 178 . 5 1 1 A 23 23 THR C C 23 173.413 173.609 -0.196 1
1 179 . 5 1 1 A 23 23 THR CA C 23 62.158 61.714 0.444 1
1 180 . 5 1 1 A 23 23 THR CB C 23 69.916 70.557 -0.641 1
1 182 . 5 1 1 A 23 23 THR N N 23 118.008 114.631 3.377 1
1 183 . 5 1 1 A 24 24 ILE H H 24 8.110 8.182 -0.072 1
1 184 . 5 1 1 A 24 24 ILE HA H 24 4.200 5.102 -0.902 1
1 194 . 5 1 1 A 24 24 ILE C C 24 176.654 175.777 0.877 1
1 195 . 5 1 1 A 24 24 ILE CA C 24 61.690 59.394 2.296 1
1 196 . 5 1 1 A 24 24 ILE CB C 24 39.487 41.265 -1.778 1
1 200 . 5 1 1 A 24 24 ILE N N 24 124.852 120.649 4.203 1
1 201 . 5 1 1 A 25 25 THR H H 25 9.023 8.444 0.579 1
1 202 . 5 1 1 A 25 25 THR HA H 25 4.564 4.974 -0.410 1
1 207 . 5 1 1 A 25 25 THR C C 25 173.433 174.233 -0.800 1
1 208 . 5 1 1 A 25 25 THR CA C 25 60.759 58.557 2.202 1
1 209 . 5 1 1 A 25 25 THR CB C 25 68.089 69.771 -1.682 1
1 211 . 5 1 1 A 25 25 THR N N 25 120.568 116.041 4.527 1
1 212 . 5 1 1 A 26 26 PRO HA H 26 4.172 4.567 -0.395 1
1 219 . 5 1 1 A 26 26 PRO C C 26 179.237 177.371 1.866 1
1 220 . 5 1 1 A 26 26 PRO CA C 26 65.917 64.469 1.448 1
1 221 . 5 1 1 A 26 26 PRO CB C 26 31.725 31.730 -0.005 1
1 224 . 5 1 1 A 27 27 GLU H H 27 8.722 8.478 0.244 1
1 225 . 5 1 1 A 27 27 GLU HA H 27 4.006 4.261 -0.255 1
1 230 . 5 1 1 A 27 27 GLU C C 27 179.749 178.367 1.382 1
1 231 . 5 1 1 A 27 27 GLU CA C 27 60.353 57.565 2.788 1
1 232 . 5 1 1 A 27 27 GLU CB C 27 28.851 30.044 -1.193 1
1 234 . 5 1 1 A 27 27 GLU N N 27 117.087 117.522 -0.435 1
1 235 . 5 1 1 A 28 28 GLN H H 28 7.666 7.977 -0.311 1
1 236 . 5 1 1 A 28 28 GLN HA H 28 3.767 4.099 -0.332 1
1 243 . 5 1 1 A 28 28 GLN C C 28 177.872 178.034 -0.162 1
1 244 . 5 1 1 A 28 28 GLN CA C 28 58.821 58.285 0.536 1
1 245 . 5 1 1 A 28 28 GLN CB C 28 29.401 28.824 0.577 1
1 247 . 5 1 1 A 28 28 GLN N N 28 119.298 119.240 0.058 1
1 249 . 5 1 1 A 29 29 LEU H H 29 8.453 7.931 0.522 1
1 250 . 5 1 1 A 29 29 LEU HA H 29 3.484 3.523 -0.039 1
1 260 . 5 1 1 A 29 29 LEU C C 29 178.092 178.666 -0.574 1
1 261 . 5 1 1 A 29 29 LEU CA C 29 57.737 57.620 0.117 1
1 262 . 5 1 1 A 29 29 LEU CB C 29 41.578 41.586 -0.008 1
1 266 . 5 1 1 A 29 29 LEU N N 29 120.145 120.653 -0.508 1
1 267 . 5 1 1 A 30 30 GLU H H 30 7.607 8.310 -0.703 1
1 268 . 5 1 1 A 30 30 GLU HA H 30 4.069 4.108 -0.039 1
1 273 . 5 1 1 A 30 30 GLU C C 30 179.140 179.331 -0.191 1
1 274 . 5 1 1 A 30 30 GLU CA C 30 59.334 59.687 -0.353 1
1 275 . 5 1 1 A 30 30 GLU CB C 30 29.512 29.490 0.022 1
1 277 . 5 1 1 A 30 30 GLU N N 30 116.903 116.528 0.375 1
1 278 . 5 1 1 A 31 31 ILE H H 31 7.070 7.752 -0.682 1
1 279 . 5 1 1 A 31 31 ILE HA H 31 3.692 3.681 0.011 1
1 289 . 5 1 1 A 31 31 ILE C C 31 178.287 178.607 -0.320 1
1 290 . 5 1 1 A 31 31 ILE CA C 31 64.416 65.853 -1.437 1
1 291 . 5 1 1 A 31 31 ILE CB C 31 37.777 37.959 -0.182 1
1 295 . 5 1 1 A 31 31 ILE N N 31 118.947 120.929 -1.982 1
1 296 . 5 1 1 A 32 32 LEU H H 32 8.126 8.101 0.025 1
1 297 . 5 1 1 A 32 32 LEU HA H 32 3.418 3.771 -0.353 1
1 307 . 5 1 1 A 32 32 LEU C C 32 178.311 178.896 -0.585 1
1 308 . 5 1 1 A 32 32 LEU CA C 32 58.497 57.851 0.646 1
1 309 . 5 1 1 A 32 32 LEU CB C 32 38.146 41.037 -2.891 1
1 313 . 5 1 1 A 32 32 LEU N N 32 120.437 118.910 1.527 1
1 314 . 5 1 1 A 33 33 TYR H H 33 8.312 8.430 -0.118 1
1 315 . 5 1 1 A 33 33 TYR HA H 33 4.358 4.612 -0.254 1
1 322 . 5 1 1 A 33 33 TYR C C 33 178.214 178.538 -0.324 1
1 323 . 5 1 1 A 33 33 TYR CA C 33 62.645 61.020 1.625 1
1 324 . 5 1 1 A 33 33 TYR CB C 33 37.807 37.961 -0.154 1
1 329 . 5 1 1 A 33 33 TYR N N 33 117.248 117.981 -0.733 1
1 330 . 5 1 1 A 34 34 GLN H H 34 7.750 8.678 -0.928 1
1 331 . 5 1 1 A 34 34 GLN HA H 34 3.967 3.961 0.006 1
1 338 . 5 1 1 A 34 34 GLN C C 34 180.065 179.137 0.928 1
1 339 . 5 1 1 A 34 34 GLN CA C 34 59.143 59.370 -0.227 1
1 340 . 5 1 1 A 34 34 GLN CB C 34 27.781 28.591 -0.810 1
1 342 . 5 1 1 A 34 34 GLN N N 34 117.509 118.204 -0.695 1
1 344 . 5 1 1 A 35 35 LYS H H 35 8.381 7.914 0.467 1
1 345 . 5 1 1 A 35 35 LYS HA H 35 4.132 4.223 -0.091 1
1 354 . 5 1 1 A 35 35 LYS C C 35 179.456 178.532 0.924 1
1 355 . 5 1 1 A 35 35 LYS CA C 35 57.839 58.700 -0.861 1
1 356 . 5 1 1 A 35 35 LYS CB C 35 31.487 32.722 -1.235 1
1 360 . 5 1 1 A 35 35 LYS N N 35 117.671 120.516 -2.845 1
1 361 . 5 1 1 A 36 36 TYR H H 36 9.036 8.447 0.589 1
1 362 . 5 1 1 A 36 36 TYR HA H 36 4.164 4.770 -0.606 1
1 369 . 5 1 1 A 36 36 TYR C C 36 176.630 177.467 -0.837 1
1 370 . 5 1 1 A 36 36 TYR CA C 36 61.726 61.450 0.276 1
1 371 . 5 1 1 A 36 36 TYR CB C 36 38.579 38.563 0.016 1
1 376 . 5 1 1 A 36 36 TYR N N 36 124.434 123.078 1.356 1
1 377 . 5 1 1 A 37 37 LEU H H 37 7.848 9.203 -1.355 1
1 378 . 5 1 1 A 37 37 LEU HA H 37 3.918 4.047 -0.129 1
1 388 . 5 1 1 A 37 37 LEU C C 37 179.334 179.544 -0.210 1
1 389 . 5 1 1 A 37 37 LEU CA C 37 56.827 58.247 -1.420 1
1 390 . 5 1 1 A 37 37 LEU CB C 37 42.069 41.743 0.326 1
1 394 . 5 1 1 A 37 37 LEU N N 37 116.192 120.338 -4.146 1
1 395 . 5 1 1 A 38 38 LEU H H 38 7.230 7.248 -0.018 1
1 396 . 5 1 1 A 38 38 LEU HA H 38 4.150 4.367 -0.217 1
1 406 . 5 1 1 A 38 38 LEU C C 38 178.116 176.378 1.738 1
1 407 . 5 1 1 A 38 38 LEU CA C 38 56.915 56.180 0.735 1
1 408 . 5 1 1 A 38 38 LEU CB C 38 42.336 42.638 -0.302 1
1 412 . 5 1 1 A 38 38 LEU N N 38 118.422 113.303 5.119 1
1 413 . 5 1 1 A 39 39 ASP H H 39 7.543 8.016 -0.473 1
1 414 . 5 1 1 A 39 39 ASP HA H 39 4.364 4.827 -0.463 1
1 417 . 5 1 1 A 39 39 ASP C C 39 174.778 175.748 -0.970 1
1 418 . 5 1 1 A 39 39 ASP CA C 39 54.731 53.828 0.903 1
1 419 . 5 1 1 A 39 39 ASP CB C 39 41.134 42.344 -1.210 1
1 420 . 5 1 1 A 39 39 ASP N N 39 117.417 118.968 -1.551 1
1 421 . 5 1 1 A 40 40 SER H H 40 8.240 8.706 -0.466 1
1 422 . 5 1 1 A 40 40 SER HA H 40 3.984 4.586 -0.602 1
1 425 . 5 1 1 A 40 40 SER C C 40 174.169 175.032 -0.863 1
1 426 . 5 1 1 A 40 40 SER CA C 40 58.825 58.127 0.698 1
1 427 . 5 1 1 A 40 40 SER CB C 40 63.964 63.175 0.789 1
1 428 . 5 1 1 A 40 40 SER N N 40 119.077 119.805 -0.728 1
1 429 . 5 1 1 A 41 41 ASN H H 41 8.711 8.022 0.689 1
1 430 . 5 1 1 A 41 41 ASN HA H 41 5.007 5.213 -0.206 1
1 435 . 5 1 1 A 41 41 ASN C C 41 171.078 172.386 -1.308 1
1 436 . 5 1 1 A 41 41 ASN CA C 41 51.291 50.808 0.483 1
1 437 . 5 1 1 A 41 41 ASN CB C 41 39.815 39.440 0.375 1
1 438 . 5 1 1 A 41 41 ASN N N 41 119.546 119.119 0.427 1
1 440 . 5 1 1 A 42 42 PRO HA H 42 4.408 4.632 -0.224 1
1 447 . 5 1 1 A 42 42 PRO C C 42 177.028 175.947 1.081 1
1 448 . 5 1 1 A 42 42 PRO CA C 42 62.678 62.535 0.143 1
1 449 . 5 1 1 A 42 42 PRO CB C 42 31.869 32.478 -0.609 1
1 452 . 5 1 1 A 43 43 THR H H 43 7.797 8.342 -0.545 1
1 453 . 5 1 1 A 43 43 THR HA H 43 4.205 4.636 -0.431 1
1 458 . 5 1 1 A 43 43 THR C C 43 174.729 175.109 -0.380 1
1 459 . 5 1 1 A 43 43 THR CA C 43 60.690 60.091 0.599 1
1 460 . 5 1 1 A 43 43 THR CB C 43 71.138 70.937 0.201 1
1 462 . 5 1 1 A 43 43 THR N N 43 111.399 116.478 -5.079 1
1 463 . 5 1 1 A 44 44 ARG H H 44 8.718 8.999 -0.281 1
1 464 . 5 1 1 A 44 44 ARG HA H 44 3.863 3.927 -0.064 1
1 471 . 5 1 1 A 44 44 ARG C C 44 178.384 177.730 0.654 1
1 472 . 5 1 1 A 44 44 ARG CA C 44 60.014 59.967 0.047 1
1 473 . 5 1 1 A 44 44 ARG CB C 44 29.512 30.023 -0.511 1
1 476 . 5 1 1 A 44 44 ARG N N 44 120.640 126.460 -5.820 1
1 477 . 5 1 1 A 45 45 LYS H H 45 8.142 7.835 0.307 1
1 478 . 5 1 1 A 45 45 LYS HA H 45 4.070 4.041 0.029 1
1 487 . 5 1 1 A 45 45 LYS C C 45 179.334 178.984 0.350 1
1 488 . 5 1 1 A 45 45 LYS CA C 45 59.170 59.280 -0.110 1
1 489 . 5 1 1 A 45 45 LYS CB C 45 32.457 32.172 0.285 1
1 493 . 5 1 1 A 45 45 LYS N N 45 117.851 119.325 -1.474 1
1 494 . 5 1 1 A 46 46 MET H H 46 7.560 8.362 -0.802 1
1 495 . 5 1 1 A 46 46 MET HA H 46 4.329 4.243 0.086 1
1 503 . 5 1 1 A 46 46 MET C C 46 178.774 178.812 -0.038 1
1 504 . 5 1 1 A 46 46 MET CA C 46 57.799 58.219 -0.420 1
1 505 . 5 1 1 A 46 46 MET CB C 46 32.210 33.195 -0.985 1
1 508 . 5 1 1 A 46 46 MET N N 46 119.433 118.014 1.419 1
1 509 . 5 1 1 A 47 47 LEU H H 47 8.624 8.281 0.343 1
1 510 . 5 1 1 A 47 47 LEU HA H 47 3.758 3.799 -0.041 1
1 520 . 5 1 1 A 47 47 LEU C C 47 178.701 179.176 -0.475 1
1 521 . 5 1 1 A 47 47 LEU CA C 47 58.648 57.813 0.835 1
1 522 . 5 1 1 A 47 47 LEU CB C 47 42.248 41.617 0.631 1
1 526 . 5 1 1 A 47 47 LEU N N 47 120.980 119.529 1.451 1
1 527 . 5 1 1 A 48 48 ASP H H 48 7.891 8.103 -0.212 1
1 528 . 5 1 1 A 48 48 ASP HA H 48 4.275 4.345 -0.070 1
1 531 . 5 1 1 A 48 48 ASP C C 48 178.798 178.551 0.247 1
1 532 . 5 1 1 A 48 48 ASP CA C 48 57.662 57.375 0.287 1
1 533 . 5 1 1 A 48 48 ASP CB C 48 40.347 41.141 -0.794 1
1 534 . 5 1 1 A 48 48 ASP N N 48 119.025 119.876 -0.851 1
1 535 . 5 1 1 A 49 49 HIS H H 49 7.760 7.606 0.154 1
1 536 . 5 1 1 A 49 49 HIS HA H 49 4.390 4.289 0.101 1
1 540 . 5 1 1 A 49 49 HIS C C 49 178.287 177.282 1.005 1
1 541 . 5 1 1 A 49 49 HIS CA C 49 59.930 60.171 -0.241 1
1 542 . 5 1 1 A 49 49 HIS CB C 49 30.348 30.124 0.224 1
1 544 . 5 1 1 A 49 49 HIS N N 49 120.629 119.174 1.455 1
1 545 . 5 1 1 A 50 50 ILE H H 50 8.934 8.581 0.353 1
1 546 . 5 1 1 A 50 50 ILE HA H 50 3.619 3.623 -0.004 1
1 556 . 5 1 1 A 50 50 ILE C C 50 177.410 178.196 -0.786 1
1 557 . 5 1 1 A 50 50 ILE CA C 50 65.779 65.587 0.192 1
1 558 . 5 1 1 A 50 50 ILE CB C 50 38.622 37.788 0.834 1
1 562 . 5 1 1 A 50 50 ILE N N 50 120.913 120.116 0.797 1
1 563 . 5 1 1 A 51 51 ALA H H 51 8.423 7.847 0.576 1
1 564 . 5 1 1 A 51 51 ALA HA H 51 3.859 4.157 -0.298 1
1 568 . 5 1 1 A 51 51 ALA C C 51 179.213 179.833 -0.620 1
1 569 . 5 1 1 A 51 51 ALA CA C 51 56.348 54.456 1.892 1
1 570 . 5 1 1 A 51 51 ALA CB C 51 17.292 18.227 -0.935 1
1 571 . 5 1 1 A 51 51 ALA N N 51 120.695 120.739 -0.044 1
1 572 . 5 1 1 A 52 52 HIS H H 52 7.735 8.125 -0.390 1
1 573 . 5 1 1 A 52 52 HIS HA H 52 4.273 4.180 0.093 1
1 577 . 5 1 1 A 52 52 HIS C C 52 177.799 177.129 0.670 1
1 578 . 5 1 1 A 52 52 HIS CA C 52 59.406 58.847 0.559 1
1 579 . 5 1 1 A 52 52 HIS CB C 52 29.842 29.919 -0.077 1
1 581 . 5 1 1 A 52 52 HIS N N 52 115.822 118.393 -2.571 1
1 582 . 5 1 1 A 53 53 GLU H H 53 8.299 8.326 -0.027 1
1 583 . 5 1 1 A 53 53 GLU HA H 53 3.842 4.001 -0.159 1
1 588 . 5 1 1 A 53 53 GLU C C 53 178.652 178.379 0.273 1
1 589 . 5 1 1 A 53 53 GLU CA C 53 59.434 59.295 0.139 1
1 590 . 5 1 1 A 53 53 GLU CB C 53 30.204 29.157 1.047 1
1 592 . 5 1 1 A 53 53 GLU N N 53 120.073 117.776 2.297 1
1 593 . 5 1 1 A 54 54 VAL H H 54 8.446 7.834 0.612 1
1 594 . 5 1 1 A 54 54 VAL HA H 54 4.150 3.980 0.170 1
1 602 . 5 1 1 A 54 54 VAL C C 54 175.899 176.959 -1.060 1
1 603 . 5 1 1 A 54 54 VAL CA C 54 62.001 64.551 -2.550 1
1 604 . 5 1 1 A 54 54 VAL CB C 54 33.000 31.689 1.311 1
1 607 . 5 1 1 A 54 54 VAL N N 54 112.194 118.730 -6.536 1
1 608 . 5 1 1 A 55 55 GLY H H 55 7.879 8.004 -0.125 1
1 609 . 5 1 1 A 55 55 GLY HA2 H 55 3.975 3.876 0.099 1
1 610 . 5 1 1 A 55 55 GLY HA3 H 55 3.814 3.908 -0.094 1
1 611 . 5 1 1 A 55 55 GLY C C 55 174.461 174.216 0.245 1
1 612 . 5 1 1 A 55 55 GLY CA C 55 46.551 46.283 0.268 1
1 613 . 5 1 1 A 55 55 GLY N N 55 111.306 109.548 1.758 1
1 614 . 5 1 1 A 56 56 LEU H H 56 7.766 7.329 0.437 1
1 615 . 5 1 1 A 56 56 LEU HA H 56 4.825 4.750 0.075 1
1 625 . 5 1 1 A 56 56 LEU C C 56 175.704 175.662 0.042 1
1 626 . 5 1 1 A 56 56 LEU CA C 56 52.223 53.313 -1.090 1
1 627 . 5 1 1 A 56 56 LEU CB C 56 47.913 45.396 2.517 1
1 631 . 5 1 1 A 56 56 LEU N N 56 119.685 121.568 -1.883 1
1 632 . 5 1 1 A 57 57 LYS H H 57 8.268 8.453 -0.185 1
1 633 . 5 1 1 A 57 57 LYS HA H 57 4.212 4.194 0.018 1
1 642 . 5 1 1 A 57 57 LYS C C 57 178.555 177.658 0.897 1
1 643 . 5 1 1 A 57 57 LYS CA C 57 56.375 57.259 -0.884 1
1 644 . 5 1 1 A 57 57 LYS CB C 57 32.750 32.414 0.336 1
1 648 . 5 1 1 A 57 57 LYS N N 57 118.380 125.100 -6.720 1
1 649 . 5 1 1 A 58 58 LYS H H 58 8.853 8.973 -0.120 1
1 650 . 5 1 1 A 58 58 LYS HA H 58 3.670 3.837 -0.167 1
1 659 . 5 1 1 A 58 58 LYS C C 58 178.652 178.345 0.307 1
1 660 . 5 1 1 A 58 58 LYS CA C 58 61.026 60.676 0.350 1
1 661 . 5 1 1 A 58 58 LYS CB C 58 31.655 32.413 -0.758 1
1 665 . 5 1 1 A 58 58 LYS N N 58 123.883 126.677 -2.794 1
1 666 . 5 1 1 A 59 59 ARG H H 59 8.834 7.761 1.073 1
1 667 . 5 1 1 A 59 59 ARG HA H 59 4.120 4.129 -0.009 1
1 674 . 5 1 1 A 59 59 ARG C C 59 177.872 178.871 -0.999 1
1 675 . 5 1 1 A 59 59 ARG CA C 59 58.851 58.792 0.059 1
1 676 . 5 1 1 A 59 59 ARG CB C 59 29.832 29.858 -0.026 1
1 679 . 5 1 1 A 59 59 ARG N N 59 117.315 118.941 -1.626 1
1 680 . 5 1 1 A 60 60 VAL H H 60 6.892 8.122 -1.230 1
1 681 . 5 1 1 A 60 60 VAL HA H 60 3.677 3.798 -0.121 1
1 689 . 5 1 1 A 60 60 VAL C C 60 178.701 178.629 0.072 1
1 690 . 5 1 1 A 60 60 VAL CA C 60 65.741 65.808 -0.067 1
1 691 . 5 1 1 A 60 60 VAL CB C 60 31.520 31.763 -0.243 1
1 694 . 5 1 1 A 60 60 VAL N N 60 117.560 119.649 -2.089 1
1 695 . 5 1 1 A 61 61 VAL H H 61 7.394 8.132 -0.738 1
1 696 . 5 1 1 A 61 61 VAL HA H 61 3.647 3.752 -0.105 1
1 704 . 5 1 1 A 61 61 VAL C C 61 177.385 178.182 -0.797 1
1 705 . 5 1 1 A 61 61 VAL CA C 61 67.232 66.805 0.427 1
1 706 . 5 1 1 A 61 61 VAL CB C 61 32.125 31.189 0.936 1
1 709 . 5 1 1 A 61 61 VAL N N 61 119.625 120.979 -1.354 1
1 710 . 5 1 1 A 62 62 GLN H H 62 8.681 8.470 0.211 1
1 711 . 5 1 1 A 62 62 GLN HA H 62 4.047 4.032 0.015 1
1 718 . 5 1 1 A 62 62 GLN C C 62 178.798 178.706 0.092 1
1 719 . 5 1 1 A 62 62 GLN CA C 62 60.169 58.853 1.316 1
1 720 . 5 1 1 A 62 62 GLN CB C 62 28.935 28.621 0.314 1
1 722 . 5 1 1 A 62 62 GLN N N 62 119.803 120.019 -0.216 1
1 724 . 5 1 1 A 63 63 VAL H H 63 8.279 8.080 0.199 1
1 725 . 5 1 1 A 63 63 VAL HA H 63 3.703 3.800 -0.097 1
1 733 . 5 1 1 A 63 63 VAL C C 63 177.263 178.092 -0.829 1
1 734 . 5 1 1 A 63 63 VAL CA C 63 66.384 66.190 0.194 1
1 735 . 5 1 1 A 63 63 VAL CB C 63 31.983 31.874 0.109 1
1 738 . 5 1 1 A 63 63 VAL N N 63 120.104 119.229 0.875 1
1 739 . 5 1 1 A 64 64 TRP H H 64 8.376 8.174 0.202 1
1 740 . 5 1 1 A 64 64 TRP HA H 64 4.015 4.207 -0.192 1
1 749 . 5 1 1 A 64 64 TRP C C 64 180.309 177.958 2.351 1
1 750 . 5 1 1 A 64 64 TRP CA C 64 63.421 60.519 2.902 1
1 751 . 5 1 1 A 64 64 TRP CB C 64 28.382 29.947 -1.565 1
1 757 . 5 1 1 A 64 64 TRP N N 64 122.121 121.703 0.418 1
1 759 . 5 1 1 A 65 65 PHE H H 65 9.032 8.083 0.949 1
1 760 . 5 1 1 A 65 65 PHE HA H 65 3.662 4.448 -0.786 1
1 768 . 5 1 1 A 65 65 PHE C C 65 178.214 178.832 -0.618 1
1 769 . 5 1 1 A 65 65 PHE CA C 65 63.919 60.777 3.142 1
1 770 . 5 1 1 A 65 65 PHE CB C 65 39.512 39.744 -0.232 1
1 776 . 5 1 1 A 65 65 PHE N N 65 120.975 116.615 4.360 1
1 777 . 5 1 1 A 66 66 GLN H H 66 8.021 7.957 0.064 1
1 778 . 5 1 1 A 66 66 GLN HA H 66 3.957 4.089 -0.132 1
1 785 . 5 1 1 A 66 66 GLN C C 66 179.066 177.939 1.127 1
1 786 . 5 1 1 A 66 66 GLN CA C 66 59.426 58.628 0.798 1
1 787 . 5 1 1 A 66 66 GLN CB C 66 28.536 27.924 0.612 1
1 789 . 5 1 1 A 66 66 GLN N N 66 117.887 116.989 0.898 1
1 791 . 5 1 1 A 67 67 ASN H H 67 8.807 7.766 1.041 1
1 792 . 5 1 1 A 67 67 ASN HA H 67 4.331 4.545 -0.214 1
1 797 . 5 1 1 A 67 67 ASN C C 67 177.775 177.777 -0.002 1
1 798 . 5 1 1 A 67 67 ASN CA C 67 55.461 55.568 -0.107 1
1 799 . 5 1 1 A 67 67 ASN CB C 67 37.718 38.600 -0.882 1
1 800 . 5 1 1 A 67 67 ASN N N 67 119.312 118.267 1.045 1
1 802 . 5 1 1 A 68 68 THR H H 68 8.092 7.375 0.717 1
1 803 . 5 1 1 A 68 68 THR HA H 68 3.262 3.359 -0.097 1
1 808 . 5 1 1 A 68 68 THR C C 68 175.972 176.154 -0.182 1
1 809 . 5 1 1 A 68 68 THR CA C 68 66.903 66.741 0.162 1
1 810 . 5 1 1 A 68 68 THR CB C 68 67.800 67.978 -0.178 1
1 812 . 5 1 1 A 68 68 THR N N 68 120.500 116.759 3.741 1
1 813 . 5 1 1 A 69 69 ARG H H 69 8.154 8.221 -0.067 1
1 814 . 5 1 1 A 69 69 ARG HA H 69 4.362 4.223 0.139 1
1 821 . 5 1 1 A 69 69 ARG C C 69 179.432 178.474 0.958 1
1 822 . 5 1 1 A 69 69 ARG CA C 69 59.805 60.213 -0.408 1
1 823 . 5 1 1 A 69 69 ARG CB C 69 31.490 30.320 1.170 1
1 826 . 5 1 1 A 69 69 ARG N N 69 121.451 119.655 1.796 1
1 827 . 5 1 1 A 70 70 ALA H H 70 7.686 7.616 0.070 1
1 828 . 5 1 1 A 70 70 ALA HA H 70 4.107 4.092 0.015 1
1 832 . 5 1 1 A 70 70 ALA C C 70 179.724 179.950 -0.226 1
1 833 . 5 1 1 A 70 70 ALA CA C 70 54.512 54.863 -0.351 1
1 834 . 5 1 1 A 70 70 ALA CB C 70 18.187 18.449 -0.262 1
1 835 . 5 1 1 A 70 70 ALA N N 70 119.887 121.666 -1.779 1
1 836 . 5 1 1 A 71 71 ARG H H 71 7.588 7.738 -0.150 1
1 837 . 5 1 1 A 71 71 ARG HA H 71 4.073 4.003 0.070 1
1 844 . 5 1 1 A 71 71 ARG C C 71 177.775 179.076 -1.301 1
1 845 . 5 1 1 A 71 71 ARG CA C 71 57.849 59.657 -1.808 1
1 846 . 5 1 1 A 71 71 ARG CB C 71 30.419 29.832 0.587 1
1 849 . 5 1 1 A 71 71 ARG N N 71 117.554 117.479 0.075 1
1 850 . 5 1 1 A 72 72 GLU H H 72 7.776 8.596 -0.820 1
1 851 . 5 1 1 A 72 72 GLU HA H 72 4.129 4.046 0.083 1
1 856 . 5 1 1 A 72 72 GLU C C 72 177.190 179.142 -1.952 1
1 857 . 5 1 1 A 72 72 GLU CA C 72 57.625 59.152 -1.527 1
1 858 . 5 1 1 A 72 72 GLU CB C 72 29.815 29.553 0.262 1
1 860 . 5 1 1 A 72 72 GLU N N 72 119.019 119.546 -0.527 1
1 861 . 5 1 1 A 73 73 ARG H H 73 7.956 8.194 -0.238 1
1 862 . 5 1 1 A 73 73 ARG HA H 73 4.228 4.114 0.114 1
1 869 . 5 1 1 A 73 73 ARG C C 73 176.581 176.885 -0.304 1
1 870 . 5 1 1 A 73 73 ARG CA C 73 56.773 59.026 -2.253 1
1 871 . 5 1 1 A 73 73 ARG CB C 73 30.254 29.956 0.298 1
1 874 . 5 1 1 A 73 73 ARG N N 73 119.948 118.463 1.485 1
1 875 . 5 1 1 A 74 74 LYS H H 74 8.155 7.872 0.283 1
1 876 . 5 1 1 A 74 74 LYS HA H 74 4.329 4.222 0.107 1
1 885 . 5 1 1 A 74 74 LYS C C 74 176.703 175.680 1.023 1
1 886 . 5 1 1 A 74 74 LYS CA C 74 56.458 57.193 -0.735 1
1 887 . 5 1 1 A 74 74 LYS CB C 74 32.825 33.126 -0.301 1
1 891 . 5 1 1 A 74 74 LYS N N 74 121.577 120.994 0.583 1
1 892 . 5 1 1 A 75 75 SER H H 75 8.246 8.318 -0.072 1
1 893 . 5 1 1 A 75 75 SER HA H 75 4.474 5.472 -0.998 1
1 896 . 5 1 1 A 75 75 SER C C 75 174.486 173.260 1.226 1
1 897 . 5 1 1 A 75 75 SER CA C 75 58.365 56.774 1.591 1
1 898 . 5 1 1 A 75 75 SER CB C 75 63.967 64.826 -0.859 1
1 899 . 5 1 1 A 75 75 SER N N 75 116.340 114.945 1.395 1
1 900 . 5 1 1 A 76 76 GLY H H 76 8.205 8.402 -0.197 1
1 901 . 5 1 1 A 76 76 GLY HA2 H 76 4.118 4.065 0.053 1
1 902 . 5 1 1 A 76 76 GLY HA3 H 76 4.118 4.067 0.051 1
1 903 . 5 1 1 A 76 76 GLY C C 76 171.758 173.830 -2.072 1
1 904 . 5 1 1 A 76 76 GLY CA C 76 44.661 45.627 -0.966 1
1 905 . 5 1 1 A 76 76 GLY N N 76 110.555 110.742 -0.187 1
1 906 . 5 1 1 A 77 77 PRO HA H 77 4.450 4.467 -0.017 1
1 913 . 5 1 1 A 77 77 PRO C C 77 177.458 176.365 1.093 1
1 914 . 5 1 1 A 77 77 PRO CA C 77 63.249 63.706 -0.457 1
1 915 . 5 1 1 A 77 77 PRO CB C 77 32.180 31.800 0.380 1
1 918 . 5 1 1 A 78 78 SER H H 78 8.525 7.668 0.857 1
1 919 . 5 1 1 A 78 78 SER HA H 78 4.471 4.373 0.098 1
1 922 . 5 1 1 A 78 78 SER C C 78 174.648 173.999 0.649 1
1 923 . 5 1 1 A 78 78 SER CA C 78 58.460 57.970 0.490 1
1 924 . 5 1 1 A 78 78 SER CB C 78 63.885 63.825 0.060 1
1 925 . 5 1 1 A 78 78 SER N N 78 116.381 113.795 2.586 1
1 926 . 5 1 1 A 79 79 SER H H 79 8.309 8.711 -0.402 1
1 927 . 5 1 1 A 79 79 SER HA H 79 4.457 5.007 -0.550 1
1 930 . 5 1 1 A 79 79 SER C C 79 173.925 173.803 0.122 1
1 931 . 5 1 1 A 79 79 SER CA C 79 58.401 56.507 1.894 1
1 932 . 5 1 1 A 79 79 SER CB C 79 64.132 66.248 -2.116 1
1 933 . 5 1 1 A 79 79 SER N N 79 117.741 117.682 0.059 1
1 1 . 6 1 1 A 8 8 GLY HA2 H 8 4.031 4.185 -0.154 1
1 2 . 6 1 1 A 8 8 GLY HA3 H 8 4.031 4.186 -0.155 1
1 3 . 6 1 1 A 8 8 GLY C C 8 174.729 171.800 2.929 1
1 4 . 6 1 1 A 8 8 GLY CA C 8 45.278 45.075 0.203 1
1 5 . 6 1 1 A 9 9 THR H H 9 8.248 8.426 -0.178 1
1 6 . 6 1 1 A 9 9 THR HA H 9 4.376 5.039 -0.663 1
1 11 . 6 1 1 A 9 9 THR C C 9 175.485 172.901 2.584 1
1 12 . 6 1 1 A 9 9 THR CA C 9 61.837 59.437 2.400 1
1 13 . 6 1 1 A 9 9 THR CB C 9 69.737 71.362 -1.625 1
1 15 . 6 1 1 A 9 9 THR N N 9 112.908 118.502 -5.594 1
1 16 . 6 1 1 A 10 10 GLY H H 10 8.581 8.575 0.006 1
1 17 . 6 1 1 A 10 10 GLY HA2 H 10 3.985 4.230 -0.245 1
1 18 . 6 1 1 A 10 10 GLY HA3 H 10 3.985 4.230 -0.245 1
1 19 . 6 1 1 A 10 10 GLY C C 10 174.705 173.925 0.780 1
1 20 . 6 1 1 A 10 10 GLY CA C 10 45.455 45.140 0.315 1
1 21 . 6 1 1 A 10 10 GLY N N 10 111.487 114.321 -2.834 1
1 22 . 6 1 1 A 11 11 GLY H H 11 8.286 8.677 -0.391 1
1 23 . 6 1 1 A 11 11 GLY HA2 H 11 3.958 3.883 0.075 1
1 24 . 6 1 1 A 11 11 GLY HA3 H 11 3.958 3.885 0.073 1
1 25 . 6 1 1 A 11 11 GLY C C 11 174.071 173.866 0.205 1
1 26 . 6 1 1 A 11 11 GLY CA C 11 45.101 46.884 -1.783 1
1 27 . 6 1 1 A 11 11 GLY N N 11 108.887 107.488 1.399 1
1 28 . 6 1 1 A 12 12 GLU H H 12 8.333 7.676 0.657 1
1 29 . 6 1 1 A 12 12 GLU HA H 12 4.271 4.810 -0.539 1
1 34 . 6 1 1 A 12 12 GLU C C 12 176.435 174.796 1.639 1
1 35 . 6 1 1 A 12 12 GLU CA C 12 56.278 55.456 0.822 1
1 36 . 6 1 1 A 12 12 GLU CB C 12 30.358 32.355 -1.997 1
1 38 . 6 1 1 A 12 12 GLU N N 12 120.407 119.083 1.324 1
1 39 . 6 1 1 A 13 13 GLU H H 13 8.546 9.012 -0.466 1
1 40 . 6 1 1 A 13 13 GLU HA H 13 4.521 4.772 -0.251 1
1 45 . 6 1 1 A 13 13 GLU C C 13 174.648 173.969 0.679 1
1 46 . 6 1 1 A 13 13 GLU CA C 13 54.687 52.939 1.748 1
1 47 . 6 1 1 A 13 13 GLU CB C 13 29.688 30.949 -1.261 1
1 49 . 6 1 1 A 13 13 GLU N N 13 123.832 124.975 -1.143 1
1 50 . 6 1 1 A 14 14 PRO HA H 14 4.375 4.532 -0.157 1
1 57 . 6 1 1 A 14 14 PRO C C 14 177.117 177.668 -0.551 1
1 58 . 6 1 1 A 14 14 PRO CA C 14 63.379 62.333 1.046 1
1 59 . 6 1 1 A 14 14 PRO CB C 14 32.003 32.625 -0.622 1
1 62 . 6 1 1 A 15 15 GLN H H 15 8.543 8.882 -0.339 1
1 63 . 6 1 1 A 15 15 GLN HA H 15 4.230 4.000 0.230 1
1 70 . 6 1 1 A 15 15 GLN C C 15 176.459 176.089 0.370 1
1 71 . 6 1 1 A 15 15 GLN CA C 15 56.171 59.109 -2.938 1
1 72 . 6 1 1 A 15 15 GLN CB C 15 28.935 28.832 0.103 1
1 74 . 6 1 1 A 15 15 GLN N N 15 120.153 121.230 -1.077 1
1 76 . 6 1 1 A 16 16 ARG H H 16 8.337 7.669 0.668 1
1 77 . 6 1 1 A 16 16 ARG HA H 16 4.219 4.671 -0.452 1
1 84 . 6 1 1 A 16 16 ARG C C 16 176.216 175.141 1.075 1
1 85 . 6 1 1 A 16 16 ARG CA C 16 56.809 54.925 1.884 1
1 86 . 6 1 1 A 16 16 ARG CB C 16 30.666 32.350 -1.684 1
1 89 . 6 1 1 A 16 16 ARG N N 16 122.090 119.827 2.263 1
1 90 . 6 1 1 A 17 17 ASP H H 17 8.313 8.777 -0.464 1
1 91 . 6 1 1 A 17 17 ASP HA H 17 4.523 4.628 -0.105 1
1 94 . 6 1 1 A 17 17 ASP C C 17 176.727 175.608 1.119 1
1 95 . 6 1 1 A 17 17 ASP CA C 17 54.591 54.292 0.299 1
1 96 . 6 1 1 A 17 17 ASP CB C 17 41.097 41.457 -0.360 1
1 97 . 6 1 1 A 17 17 ASP N N 17 120.664 125.849 -5.185 1
1 98 . 6 1 1 A 18 18 LYS H H 18 8.276 8.931 -0.655 1
1 99 . 6 1 1 A 18 18 LYS HA H 18 4.175 4.471 -0.296 1
1 108 . 6 1 1 A 18 18 LYS C C 18 176.971 175.469 1.502 1
1 109 . 6 1 1 A 18 18 LYS CA C 18 56.971 57.655 -0.684 1
1 110 . 6 1 1 A 18 18 LYS CB C 18 32.562 35.601 -3.039 1
1 114 . 6 1 1 A 18 18 LYS N N 18 122.504 122.322 0.182 1
1 115 . 6 1 1 A 19 19 ARG H H 19 8.240 7.868 0.372 1
1 116 . 6 1 1 A 19 19 ARG HA H 19 4.205 4.895 -0.690 1
1 123 . 6 1 1 A 19 19 ARG C C 19 176.532 174.857 1.675 1
1 124 . 6 1 1 A 19 19 ARG CA C 19 56.632 54.494 2.138 1
1 125 . 6 1 1 A 19 19 ARG CB C 19 30.647 33.531 -2.884 1
1 128 . 6 1 1 A 19 19 ARG N N 19 120.296 118.716 1.580 1
1 129 . 6 1 1 A 20 20 LEU H H 20 8.068 8.855 -0.787 1
1 130 . 6 1 1 A 20 20 LEU HA H 20 4.262 5.027 -0.765 1
1 140 . 6 1 1 A 20 20 LEU C C 20 177.288 175.781 1.507 1
1 141 . 6 1 1 A 20 20 LEU CA C 20 55.110 53.313 1.797 1
1 142 . 6 1 1 A 20 20 LEU CB C 20 42.081 43.867 -1.786 1
1 146 . 6 1 1 A 20 20 LEU N N 20 121.867 128.636 -6.769 1
1 147 . 6 1 1 A 21 21 ARG H H 21 8.226 8.554 -0.328 1
1 148 . 6 1 1 A 21 21 ARG HA H 21 4.413 4.863 -0.450 1
1 155 . 6 1 1 A 21 21 ARG C C 21 176.313 176.535 -0.222 1
1 156 . 6 1 1 A 21 21 ARG CA C 21 56.194 53.755 2.439 1
1 157 . 6 1 1 A 21 21 ARG CB C 21 30.996 33.107 -2.111 1
1 160 . 6 1 1 A 21 21 ARG N N 21 121.612 120.442 1.170 1
1 161 . 6 1 1 A 22 22 THR H H 22 8.215 8.566 -0.351 1
1 162 . 6 1 1 A 22 22 THR HA H 22 4.405 4.093 0.312 1
1 167 . 6 1 1 A 22 22 THR C C 22 174.169 174.565 -0.396 1
1 168 . 6 1 1 A 22 22 THR CA C 22 61.963 66.157 -4.194 1
1 169 . 6 1 1 A 22 22 THR CB C 22 69.779 69.052 0.727 1
1 171 . 6 1 1 A 22 22 THR N N 22 114.661 117.650 -2.989 1
1 172 . 6 1 1 A 23 23 THR H H 23 8.087 7.477 0.610 1
1 173 . 6 1 1 A 23 23 THR HA H 23 4.308 4.360 -0.052 1
1 178 . 6 1 1 A 23 23 THR C C 23 173.413 173.641 -0.228 1
1 179 . 6 1 1 A 23 23 THR CA C 23 62.158 61.973 0.185 1
1 180 . 6 1 1 A 23 23 THR CB C 23 69.916 70.293 -0.377 1
1 182 . 6 1 1 A 23 23 THR N N 23 118.008 111.698 6.310 1
1 183 . 6 1 1 A 24 24 ILE H H 24 8.110 8.630 -0.520 1
1 184 . 6 1 1 A 24 24 ILE HA H 24 4.200 4.975 -0.775 1
1 194 . 6 1 1 A 24 24 ILE C C 24 176.654 175.741 0.913 1
1 195 . 6 1 1 A 24 24 ILE CA C 24 61.690 59.875 1.815 1
1 196 . 6 1 1 A 24 24 ILE CB C 24 39.487 41.643 -2.156 1
1 200 . 6 1 1 A 24 24 ILE N N 24 124.852 120.525 4.327 1
1 201 . 6 1 1 A 25 25 THR H H 25 9.023 8.462 0.561 1
1 202 . 6 1 1 A 25 25 THR HA H 25 4.564 4.995 -0.431 1
1 207 . 6 1 1 A 25 25 THR C C 25 173.433 174.361 -0.928 1
1 208 . 6 1 1 A 25 25 THR CA C 25 60.759 58.635 2.124 1
1 209 . 6 1 1 A 25 25 THR CB C 25 68.089 69.881 -1.792 1
1 211 . 6 1 1 A 25 25 THR N N 25 120.568 115.819 4.749 1
1 212 . 6 1 1 A 26 26 PRO HA H 26 4.172 4.571 -0.399 1
1 219 . 6 1 1 A 26 26 PRO C C 26 179.237 177.328 1.909 1
1 220 . 6 1 1 A 26 26 PRO CA C 26 65.917 64.468 1.449 1
1 221 . 6 1 1 A 26 26 PRO CB C 26 31.725 31.735 -0.010 1
1 224 . 6 1 1 A 27 27 GLU H H 27 8.722 8.467 0.255 1
1 225 . 6 1 1 A 27 27 GLU HA H 27 4.006 4.263 -0.257 1
1 230 . 6 1 1 A 27 27 GLU C C 27 179.749 178.066 1.683 1
1 231 . 6 1 1 A 27 27 GLU CA C 27 60.353 57.609 2.744 1
1 232 . 6 1 1 A 27 27 GLU CB C 27 28.851 29.989 -1.138 1
1 234 . 6 1 1 A 27 27 GLU N N 27 117.087 117.510 -0.423 1
1 235 . 6 1 1 A 28 28 GLN H H 28 7.666 8.003 -0.337 1
1 236 . 6 1 1 A 28 28 GLN HA H 28 3.767 4.103 -0.336 1
1 243 . 6 1 1 A 28 28 GLN C C 28 177.872 177.936 -0.064 1
1 244 . 6 1 1 A 28 28 GLN CA C 28 58.821 58.182 0.639 1
1 245 . 6 1 1 A 28 28 GLN CB C 28 29.401 28.777 0.624 1
1 247 . 6 1 1 A 28 28 GLN N N 28 119.298 119.207 0.091 1
1 249 . 6 1 1 A 29 29 LEU H H 29 8.453 8.033 0.420 1
1 250 . 6 1 1 A 29 29 LEU HA H 29 3.484 3.582 -0.098 1
1 260 . 6 1 1 A 29 29 LEU C C 29 178.092 178.655 -0.563 1
1 261 . 6 1 1 A 29 29 LEU CA C 29 57.737 57.640 0.097 1
1 262 . 6 1 1 A 29 29 LEU CB C 29 41.578 41.583 -0.005 1
1 266 . 6 1 1 A 29 29 LEU N N 29 120.145 120.532 -0.387 1
1 267 . 6 1 1 A 30 30 GLU H H 30 7.607 8.313 -0.706 1
1 268 . 6 1 1 A 30 30 GLU HA H 30 4.069 4.107 -0.038 1
1 273 . 6 1 1 A 30 30 GLU C C 30 179.140 179.297 -0.157 1
1 274 . 6 1 1 A 30 30 GLU CA C 30 59.334 59.679 -0.345 1
1 275 . 6 1 1 A 30 30 GLU CB C 30 29.512 29.363 0.149 1
1 277 . 6 1 1 A 30 30 GLU N N 30 116.903 116.536 0.367 1
1 278 . 6 1 1 A 31 31 ILE H H 31 7.070 7.786 -0.716 1
1 279 . 6 1 1 A 31 31 ILE HA H 31 3.692 3.625 0.067 1
1 289 . 6 1 1 A 31 31 ILE C C 31 178.287 178.415 -0.128 1
1 290 . 6 1 1 A 31 31 ILE CA C 31 64.416 65.884 -1.468 1
1 291 . 6 1 1 A 31 31 ILE CB C 31 37.777 38.046 -0.269 1
1 295 . 6 1 1 A 31 31 ILE N N 31 118.947 120.873 -1.926 1
1 296 . 6 1 1 A 32 32 LEU H H 32 8.126 7.880 0.246 1
1 297 . 6 1 1 A 32 32 LEU HA H 32 3.418 3.671 -0.253 1
1 307 . 6 1 1 A 32 32 LEU C C 32 178.311 178.679 -0.368 1
1 308 . 6 1 1 A 32 32 LEU CA C 32 58.497 57.810 0.687 1
1 309 . 6 1 1 A 32 32 LEU CB C 32 38.146 40.496 -2.350 1
1 313 . 6 1 1 A 32 32 LEU N N 32 120.437 118.528 1.909 1
1 314 . 6 1 1 A 33 33 TYR H H 33 8.312 8.418 -0.106 1
1 315 . 6 1 1 A 33 33 TYR HA H 33 4.358 4.592 -0.234 1
1 322 . 6 1 1 A 33 33 TYR C C 33 178.214 178.534 -0.320 1
1 323 . 6 1 1 A 33 33 TYR CA C 33 62.645 60.995 1.650 1
1 324 . 6 1 1 A 33 33 TYR CB C 33 37.807 37.956 -0.149 1
1 329 . 6 1 1 A 33 33 TYR N N 33 117.248 117.930 -0.682 1
1 330 . 6 1 1 A 34 34 GLN H H 34 7.750 8.653 -0.903 1
1 331 . 6 1 1 A 34 34 GLN HA H 34 3.967 3.940 0.027 1
1 338 . 6 1 1 A 34 34 GLN C C 34 180.065 179.185 0.880 1
1 339 . 6 1 1 A 34 34 GLN CA C 34 59.143 59.391 -0.248 1
1 340 . 6 1 1 A 34 34 GLN CB C 34 27.781 28.606 -0.825 1
1 342 . 6 1 1 A 34 34 GLN N N 34 117.509 117.967 -0.458 1
1 344 . 6 1 1 A 35 35 LYS H H 35 8.381 8.186 0.195 1
1 345 . 6 1 1 A 35 35 LYS HA H 35 4.132 4.216 -0.084 1
1 354 . 6 1 1 A 35 35 LYS C C 35 179.456 178.934 0.522 1
1 355 . 6 1 1 A 35 35 LYS CA C 35 57.839 58.612 -0.773 1
1 356 . 6 1 1 A 35 35 LYS CB C 35 31.487 32.470 -0.983 1
1 360 . 6 1 1 A 35 35 LYS N N 35 117.671 120.447 -2.776 1
1 361 . 6 1 1 A 36 36 TYR H H 36 9.036 8.515 0.521 1
1 362 . 6 1 1 A 36 36 TYR HA H 36 4.164 4.789 -0.625 1
1 369 . 6 1 1 A 36 36 TYR C C 36 176.630 177.327 -0.697 1
1 370 . 6 1 1 A 36 36 TYR CA C 36 61.726 61.549 0.177 1
1 371 . 6 1 1 A 36 36 TYR CB C 36 38.579 38.441 0.138 1
1 376 . 6 1 1 A 36 36 TYR N N 36 124.434 123.154 1.280 1
1 377 . 6 1 1 A 37 37 LEU H H 37 7.848 9.209 -1.361 1
1 378 . 6 1 1 A 37 37 LEU HA H 37 3.918 4.044 -0.126 1
1 388 . 6 1 1 A 37 37 LEU C C 37 179.334 179.256 0.078 1
1 389 . 6 1 1 A 37 37 LEU CA C 37 56.827 58.081 -1.254 1
1 390 . 6 1 1 A 37 37 LEU CB C 37 42.069 41.755 0.314 1
1 394 . 6 1 1 A 37 37 LEU N N 37 116.192 120.204 -4.012 1
1 395 . 6 1 1 A 38 38 LEU H H 38 7.230 7.419 -0.189 1
1 396 . 6 1 1 A 38 38 LEU HA H 38 4.150 4.427 -0.277 1
1 406 . 6 1 1 A 38 38 LEU C C 38 178.116 176.308 1.808 1
1 407 . 6 1 1 A 38 38 LEU CA C 38 56.915 55.370 1.545 1
1 408 . 6 1 1 A 38 38 LEU CB C 38 42.336 42.762 -0.426 1
1 412 . 6 1 1 A 38 38 LEU N N 38 118.422 113.309 5.113 1
1 413 . 6 1 1 A 39 39 ASP H H 39 7.543 8.137 -0.594 1
1 414 . 6 1 1 A 39 39 ASP HA H 39 4.364 4.863 -0.499 1
1 417 . 6 1 1 A 39 39 ASP C C 39 174.778 175.637 -0.859 1
1 418 . 6 1 1 A 39 39 ASP CA C 39 54.731 53.829 0.902 1
1 419 . 6 1 1 A 39 39 ASP CB C 39 41.134 42.316 -1.182 1
1 420 . 6 1 1 A 39 39 ASP N N 39 117.417 119.011 -1.594 1
1 421 . 6 1 1 A 40 40 SER H H 40 8.240 8.708 -0.468 1
1 422 . 6 1 1 A 40 40 SER HA H 40 3.984 4.762 -0.778 1
1 425 . 6 1 1 A 40 40 SER C C 40 174.169 174.802 -0.633 1
1 426 . 6 1 1 A 40 40 SER CA C 40 58.825 58.442 0.383 1
1 427 . 6 1 1 A 40 40 SER CB C 40 63.964 63.466 0.498 1
1 428 . 6 1 1 A 40 40 SER N N 40 119.077 120.584 -1.507 1
1 429 . 6 1 1 A 41 41 ASN H H 41 8.711 7.621 1.090 1
1 430 . 6 1 1 A 41 41 ASN HA H 41 5.007 5.168 -0.161 1
1 435 . 6 1 1 A 41 41 ASN C C 41 171.078 172.404 -1.326 1
1 436 . 6 1 1 A 41 41 ASN CA C 41 51.291 50.840 0.451 1
1 437 . 6 1 1 A 41 41 ASN CB C 41 39.815 39.538 0.277 1
1 438 . 6 1 1 A 41 41 ASN N N 41 119.546 117.743 1.803 1
1 440 . 6 1 1 A 42 42 PRO HA H 42 4.408 4.610 -0.202 1
1 447 . 6 1 1 A 42 42 PRO C C 42 177.028 175.992 1.036 1
1 448 . 6 1 1 A 42 42 PRO CA C 42 62.678 62.474 0.204 1
1 449 . 6 1 1 A 42 42 PRO CB C 42 31.869 32.347 -0.478 1
1 452 . 6 1 1 A 43 43 THR H H 43 7.797 8.360 -0.563 1
1 453 . 6 1 1 A 43 43 THR HA H 43 4.205 4.579 -0.374 1
1 458 . 6 1 1 A 43 43 THR C C 43 174.729 175.384 -0.655 1
1 459 . 6 1 1 A 43 43 THR CA C 43 60.690 60.384 0.306 1
1 460 . 6 1 1 A 43 43 THR CB C 43 71.138 70.570 0.568 1
1 462 . 6 1 1 A 43 43 THR N N 43 111.399 116.211 -4.812 1
1 463 . 6 1 1 A 44 44 ARG H H 44 8.718 8.918 -0.200 1
1 464 . 6 1 1 A 44 44 ARG HA H 44 3.863 3.911 -0.048 1
1 471 . 6 1 1 A 44 44 ARG C C 44 178.384 178.712 -0.328 1
1 472 . 6 1 1 A 44 44 ARG CA C 44 60.014 60.034 -0.020 1
1 473 . 6 1 1 A 44 44 ARG CB C 44 29.512 29.896 -0.384 1
1 476 . 6 1 1 A 44 44 ARG N N 44 120.640 127.847 -7.207 1
1 477 . 6 1 1 A 45 45 LYS H H 45 8.142 7.843 0.299 1
1 478 . 6 1 1 A 45 45 LYS HA H 45 4.070 4.045 0.025 1
1 487 . 6 1 1 A 45 45 LYS C C 45 179.334 179.063 0.271 1
1 488 . 6 1 1 A 45 45 LYS CA C 45 59.170 59.343 -0.173 1
1 489 . 6 1 1 A 45 45 LYS CB C 45 32.457 32.139 0.318 1
1 493 . 6 1 1 A 45 45 LYS N N 45 117.851 119.906 -2.055 1
1 494 . 6 1 1 A 46 46 MET H H 46 7.560 8.095 -0.535 1
1 495 . 6 1 1 A 46 46 MET HA H 46 4.329 4.191 0.138 1
1 503 . 6 1 1 A 46 46 MET C C 46 178.774 178.853 -0.079 1
1 504 . 6 1 1 A 46 46 MET CA C 46 57.799 58.404 -0.605 1
1 505 . 6 1 1 A 46 46 MET CB C 46 32.210 32.886 -0.676 1
1 508 . 6 1 1 A 46 46 MET N N 46 119.433 118.082 1.351 1
1 509 . 6 1 1 A 47 47 LEU H H 47 8.624 8.164 0.460 1
1 510 . 6 1 1 A 47 47 LEU HA H 47 3.758 3.842 -0.084 1
1 520 . 6 1 1 A 47 47 LEU C C 47 178.701 178.681 0.020 1
1 521 . 6 1 1 A 47 47 LEU CA C 47 58.648 58.129 0.519 1
1 522 . 6 1 1 A 47 47 LEU CB C 47 42.248 41.408 0.840 1
1 526 . 6 1 1 A 47 47 LEU N N 47 120.980 119.634 1.346 1
1 527 . 6 1 1 A 48 48 ASP H H 48 7.891 8.311 -0.420 1
1 528 . 6 1 1 A 48 48 ASP HA H 48 4.275 4.338 -0.063 1
1 531 . 6 1 1 A 48 48 ASP C C 48 178.798 178.251 0.547 1
1 532 . 6 1 1 A 48 48 ASP CA C 48 57.662 57.389 0.273 1
1 533 . 6 1 1 A 48 48 ASP CB C 48 40.347 41.411 -1.064 1
1 534 . 6 1 1 A 48 48 ASP N N 48 119.025 119.509 -0.484 1
1 535 . 6 1 1 A 49 49 HIS H H 49 7.760 7.812 -0.052 1
1 536 . 6 1 1 A 49 49 HIS HA H 49 4.390 4.283 0.107 1
1 540 . 6 1 1 A 49 49 HIS C C 49 178.287 177.097 1.190 1
1 541 . 6 1 1 A 49 49 HIS CA C 49 59.930 59.964 -0.034 1
1 542 . 6 1 1 A 49 49 HIS CB C 49 30.348 30.246 0.102 1
1 544 . 6 1 1 A 49 49 HIS N N 49 120.629 119.028 1.601 1
1 545 . 6 1 1 A 50 50 ILE H H 50 8.934 8.756 0.178 1
1 546 . 6 1 1 A 50 50 ILE HA H 50 3.619 3.698 -0.079 1
1 556 . 6 1 1 A 50 50 ILE C C 50 177.410 178.402 -0.992 1
1 557 . 6 1 1 A 50 50 ILE CA C 50 65.779 65.721 0.058 1
1 558 . 6 1 1 A 50 50 ILE CB C 50 38.622 37.767 0.855 1
1 562 . 6 1 1 A 50 50 ILE N N 50 120.913 120.202 0.711 1
1 563 . 6 1 1 A 51 51 ALA H H 51 8.423 8.144 0.279 1
1 564 . 6 1 1 A 51 51 ALA HA H 51 3.859 4.154 -0.295 1
1 568 . 6 1 1 A 51 51 ALA C C 51 179.213 179.897 -0.684 1
1 569 . 6 1 1 A 51 51 ALA CA C 51 56.348 54.678 1.670 1
1 570 . 6 1 1 A 51 51 ALA CB C 51 17.292 18.180 -0.888 1
1 571 . 6 1 1 A 51 51 ALA N N 51 120.695 120.932 -0.237 1
1 572 . 6 1 1 A 52 52 HIS H H 52 7.735 8.213 -0.478 1
1 573 . 6 1 1 A 52 52 HIS HA H 52 4.273 4.179 0.094 1
1 577 . 6 1 1 A 52 52 HIS C C 52 177.799 177.210 0.589 1
1 578 . 6 1 1 A 52 52 HIS CA C 52 59.406 59.342 0.064 1
1 579 . 6 1 1 A 52 52 HIS CB C 52 29.842 29.800 0.042 1
1 581 . 6 1 1 A 52 52 HIS N N 52 115.822 118.018 -2.196 1
1 582 . 6 1 1 A 53 53 GLU H H 53 8.299 8.458 -0.159 1
1 583 . 6 1 1 A 53 53 GLU HA H 53 3.842 4.039 -0.197 1
1 588 . 6 1 1 A 53 53 GLU C C 53 178.652 178.370 0.282 1
1 589 . 6 1 1 A 53 53 GLU CA C 53 59.434 59.342 0.092 1
1 590 . 6 1 1 A 53 53 GLU CB C 53 30.204 29.166 1.038 1
1 592 . 6 1 1 A 53 53 GLU N N 53 120.073 117.731 2.342 1
1 593 . 6 1 1 A 54 54 VAL H H 54 8.446 7.841 0.605 1
1 594 . 6 1 1 A 54 54 VAL HA H 54 4.150 3.998 0.152 1
1 602 . 6 1 1 A 54 54 VAL C C 54 175.899 177.063 -1.164 1
1 603 . 6 1 1 A 54 54 VAL CA C 54 62.001 64.604 -2.603 1
1 604 . 6 1 1 A 54 54 VAL CB C 54 33.000 31.694 1.306 1
1 607 . 6 1 1 A 54 54 VAL N N 54 112.194 118.746 -6.552 1
1 608 . 6 1 1 A 55 55 GLY H H 55 7.879 8.190 -0.311 1
1 609 . 6 1 1 A 55 55 GLY HA2 H 55 3.975 3.884 0.091 1
1 610 . 6 1 1 A 55 55 GLY HA3 H 55 3.814 3.916 -0.102 1
1 611 . 6 1 1 A 55 55 GLY C C 55 174.461 173.987 0.474 1
1 612 . 6 1 1 A 55 55 GLY CA C 55 46.551 46.444 0.107 1
1 613 . 6 1 1 A 55 55 GLY N N 55 111.306 109.653 1.653 1
1 614 . 6 1 1 A 56 56 LEU H H 56 7.766 7.463 0.303 1
1 615 . 6 1 1 A 56 56 LEU HA H 56 4.825 4.837 -0.012 1
1 625 . 6 1 1 A 56 56 LEU C C 56 175.704 175.535 0.169 1
1 626 . 6 1 1 A 56 56 LEU CA C 56 52.223 53.483 -1.260 1
1 627 . 6 1 1 A 56 56 LEU CB C 56 47.913 45.819 2.094 1
1 631 . 6 1 1 A 56 56 LEU N N 56 119.685 120.994 -1.309 1
1 632 . 6 1 1 A 57 57 LYS H H 57 8.268 8.460 -0.192 1
1 633 . 6 1 1 A 57 57 LYS HA H 57 4.212 4.148 0.064 1
1 642 . 6 1 1 A 57 57 LYS C C 57 178.555 177.732 0.823 1
1 643 . 6 1 1 A 57 57 LYS CA C 57 56.375 57.310 -0.935 1
1 644 . 6 1 1 A 57 57 LYS CB C 57 32.750 32.491 0.259 1
1 648 . 6 1 1 A 57 57 LYS N N 57 118.380 125.072 -6.692 1
1 649 . 6 1 1 A 58 58 LYS H H 58 8.853 9.035 -0.182 1
1 650 . 6 1 1 A 58 58 LYS HA H 58 3.670 3.817 -0.147 1
1 659 . 6 1 1 A 58 58 LYS C C 58 178.652 178.166 0.486 1
1 660 . 6 1 1 A 58 58 LYS CA C 58 61.026 60.475 0.551 1
1 661 . 6 1 1 A 58 58 LYS CB C 58 31.655 32.198 -0.543 1
1 665 . 6 1 1 A 58 58 LYS N N 58 123.883 126.041 -2.158 1
1 666 . 6 1 1 A 59 59 ARG H H 59 8.834 7.651 1.183 1
1 667 . 6 1 1 A 59 59 ARG HA H 59 4.120 4.124 -0.004 1
1 674 . 6 1 1 A 59 59 ARG C C 59 177.872 178.786 -0.914 1
1 675 . 6 1 1 A 59 59 ARG CA C 59 58.851 58.971 -0.120 1
1 676 . 6 1 1 A 59 59 ARG CB C 59 29.832 29.798 0.034 1
1 679 . 6 1 1 A 59 59 ARG N N 59 117.315 119.697 -2.382 1
1 680 . 6 1 1 A 60 60 VAL H H 60 6.892 8.166 -1.274 1
1 681 . 6 1 1 A 60 60 VAL HA H 60 3.677 3.774 -0.097 1
1 689 . 6 1 1 A 60 60 VAL C C 60 178.701 178.519 0.182 1
1 690 . 6 1 1 A 60 60 VAL CA C 60 65.741 65.791 -0.050 1
1 691 . 6 1 1 A 60 60 VAL CB C 60 31.520 31.666 -0.146 1
1 694 . 6 1 1 A 60 60 VAL N N 60 117.560 119.566 -2.006 1
1 695 . 6 1 1 A 61 61 VAL H H 61 7.394 8.094 -0.700 1
1 696 . 6 1 1 A 61 61 VAL HA H 61 3.647 3.734 -0.087 1
1 704 . 6 1 1 A 61 61 VAL C C 61 177.385 178.073 -0.688 1
1 705 . 6 1 1 A 61 61 VAL CA C 61 67.232 66.622 0.610 1
1 706 . 6 1 1 A 61 61 VAL CB C 61 32.125 31.787 0.338 1
1 709 . 6 1 1 A 61 61 VAL N N 61 119.625 120.961 -1.336 1
1 710 . 6 1 1 A 62 62 GLN H H 62 8.681 8.398 0.283 1
1 711 . 6 1 1 A 62 62 GLN HA H 62 4.047 4.089 -0.042 1
1 718 . 6 1 1 A 62 62 GLN C C 62 178.798 178.600 0.198 1
1 719 . 6 1 1 A 62 62 GLN CA C 62 60.169 59.061 1.108 1
1 720 . 6 1 1 A 62 62 GLN CB C 62 28.935 28.716 0.219 1
1 722 . 6 1 1 A 62 62 GLN N N 62 119.803 120.616 -0.813 1
1 724 . 6 1 1 A 63 63 VAL H H 63 8.279 8.640 -0.361 1
1 725 . 6 1 1 A 63 63 VAL HA H 63 3.703 3.669 0.034 1
1 733 . 6 1 1 A 63 63 VAL C C 63 177.263 178.177 -0.914 1
1 734 . 6 1 1 A 63 63 VAL CA C 63 66.384 66.532 -0.148 1
1 735 . 6 1 1 A 63 63 VAL CB C 63 31.983 31.574 0.409 1
1 738 . 6 1 1 A 63 63 VAL N N 63 120.104 119.366 0.738 1
1 739 . 6 1 1 A 64 64 TRP H H 64 8.376 8.060 0.316 1
1 740 . 6 1 1 A 64 64 TRP HA H 64 4.015 4.205 -0.190 1
1 749 . 6 1 1 A 64 64 TRP C C 64 180.309 177.832 2.477 1
1 750 . 6 1 1 A 64 64 TRP CA C 64 63.421 60.614 2.807 1
1 751 . 6 1 1 A 64 64 TRP CB C 64 28.382 29.870 -1.488 1
1 757 . 6 1 1 A 64 64 TRP N N 64 122.121 121.549 0.572 1
1 759 . 6 1 1 A 65 65 PHE H H 65 9.032 7.987 1.045 1
1 760 . 6 1 1 A 65 65 PHE HA H 65 3.662 4.424 -0.762 1
1 768 . 6 1 1 A 65 65 PHE C C 65 178.214 178.842 -0.628 1
1 769 . 6 1 1 A 65 65 PHE CA C 65 63.919 61.129 2.790 1
1 770 . 6 1 1 A 65 65 PHE CB C 65 39.512 39.747 -0.235 1
1 776 . 6 1 1 A 65 65 PHE N N 65 120.975 116.885 4.090 1
1 777 . 6 1 1 A 66 66 GLN H H 66 8.021 8.016 0.005 1
1 778 . 6 1 1 A 66 66 GLN HA H 66 3.957 4.090 -0.133 1
1 785 . 6 1 1 A 66 66 GLN C C 66 179.066 177.979 1.087 1
1 786 . 6 1 1 A 66 66 GLN CA C 66 59.426 58.623 0.803 1
1 787 . 6 1 1 A 66 66 GLN CB C 66 28.536 27.933 0.603 1
1 789 . 6 1 1 A 66 66 GLN N N 66 117.887 116.987 0.900 1
1 791 . 6 1 1 A 67 67 ASN H H 67 8.807 7.986 0.821 1
1 792 . 6 1 1 A 67 67 ASN HA H 67 4.331 4.551 -0.220 1
1 797 . 6 1 1 A 67 67 ASN C C 67 177.775 177.627 0.148 1
1 798 . 6 1 1 A 67 67 ASN CA C 67 55.461 55.764 -0.303 1
1 799 . 6 1 1 A 67 67 ASN CB C 67 37.718 38.451 -0.733 1
1 800 . 6 1 1 A 67 67 ASN N N 67 119.312 118.231 1.081 1
1 802 . 6 1 1 A 68 68 THR H H 68 8.092 7.478 0.614 1
1 803 . 6 1 1 A 68 68 THR HA H 68 3.262 3.558 -0.296 1
1 808 . 6 1 1 A 68 68 THR C C 68 175.972 176.678 -0.706 1
1 809 . 6 1 1 A 68 68 THR CA C 68 66.903 66.526 0.377 1
1 810 . 6 1 1 A 68 68 THR CB C 68 67.800 67.499 0.301 1
1 812 . 6 1 1 A 68 68 THR N N 68 120.500 117.357 3.143 1
1 813 . 6 1 1 A 69 69 ARG H H 69 8.154 8.109 0.045 1
1 814 . 6 1 1 A 69 69 ARG HA H 69 4.362 4.099 0.263 1
1 821 . 6 1 1 A 69 69 ARG C C 69 179.432 178.286 1.146 1
1 822 . 6 1 1 A 69 69 ARG CA C 69 59.805 60.789 -0.984 1
1 823 . 6 1 1 A 69 69 ARG CB C 69 31.490 29.930 1.560 1
1 826 . 6 1 1 A 69 69 ARG N N 69 121.451 121.161 0.290 1
1 827 . 6 1 1 A 70 70 ALA H H 70 7.686 8.144 -0.458 1
1 828 . 6 1 1 A 70 70 ALA HA H 70 4.107 4.044 0.063 1
1 832 . 6 1 1 A 70 70 ALA C C 70 179.724 179.729 -0.005 1
1 833 . 6 1 1 A 70 70 ALA CA C 70 54.512 55.071 -0.559 1
1 834 . 6 1 1 A 70 70 ALA CB C 70 18.187 18.272 -0.085 1
1 835 . 6 1 1 A 70 70 ALA N N 70 119.887 121.756 -1.869 1
1 836 . 6 1 1 A 71 71 ARG H H 71 7.588 7.459 0.129 1
1 837 . 6 1 1 A 71 71 ARG HA H 71 4.073 4.049 0.024 1
1 844 . 6 1 1 A 71 71 ARG C C 71 177.775 178.532 -0.757 1
1 845 . 6 1 1 A 71 71 ARG CA C 71 57.849 58.973 -1.124 1
1 846 . 6 1 1 A 71 71 ARG CB C 71 30.419 29.909 0.510 1
1 849 . 6 1 1 A 71 71 ARG N N 71 117.554 116.818 0.736 1
1 850 . 6 1 1 A 72 72 GLU H H 72 7.776 8.577 -0.801 1
1 851 . 6 1 1 A 72 72 GLU HA H 72 4.129 4.134 -0.005 1
1 856 . 6 1 1 A 72 72 GLU C C 72 177.190 179.589 -2.399 1
1 857 . 6 1 1 A 72 72 GLU CA C 72 57.625 58.811 -1.186 1
1 858 . 6 1 1 A 72 72 GLU CB C 72 29.815 29.487 0.328 1
1 860 . 6 1 1 A 72 72 GLU N N 72 119.019 119.418 -0.399 1
1 861 . 6 1 1 A 73 73 ARG H H 73 7.956 8.504 -0.548 1
1 862 . 6 1 1 A 73 73 ARG HA H 73 4.228 4.085 0.143 1
1 869 . 6 1 1 A 73 73 ARG C C 73 176.581 176.695 -0.114 1
1 870 . 6 1 1 A 73 73 ARG CA C 73 56.773 59.013 -2.240 1
1 871 . 6 1 1 A 73 73 ARG CB C 73 30.254 29.996 0.258 1
1 874 . 6 1 1 A 73 73 ARG N N 73 119.948 118.917 1.031 1
1 875 . 6 1 1 A 74 74 LYS H H 74 8.155 7.378 0.777 1
1 876 . 6 1 1 A 74 74 LYS HA H 74 4.329 4.203 0.126 1
1 885 . 6 1 1 A 74 74 LYS C C 74 176.703 176.171 0.532 1
1 886 . 6 1 1 A 74 74 LYS CA C 74 56.458 56.359 0.099 1
1 887 . 6 1 1 A 74 74 LYS CB C 74 32.825 32.747 0.078 1
1 891 . 6 1 1 A 74 74 LYS N N 74 121.577 120.965 0.612 1
1 892 . 6 1 1 A 75 75 SER H H 75 8.246 8.591 -0.345 1
1 893 . 6 1 1 A 75 75 SER HA H 75 4.474 4.798 -0.324 1
1 896 . 6 1 1 A 75 75 SER C C 75 174.486 174.238 0.248 1
1 897 . 6 1 1 A 75 75 SER CA C 75 58.365 57.585 0.780 1
1 898 . 6 1 1 A 75 75 SER CB C 75 63.967 64.997 -1.030 1
1 899 . 6 1 1 A 75 75 SER N N 75 116.340 120.251 -3.911 1
1 900 . 6 1 1 A 76 76 GLY H H 76 8.205 8.467 -0.262 1
1 901 . 6 1 1 A 76 76 GLY HA2 H 76 4.118 4.067 0.051 1
1 902 . 6 1 1 A 76 76 GLY HA3 H 76 4.118 4.068 0.050 1
1 903 . 6 1 1 A 76 76 GLY C C 76 171.758 173.599 -1.841 1
1 904 . 6 1 1 A 76 76 GLY CA C 76 44.661 44.243 0.418 1
1 905 . 6 1 1 A 76 76 GLY N N 76 110.555 108.641 1.914 1
1 906 . 6 1 1 A 77 77 PRO HA H 77 4.450 4.774 -0.324 1
1 913 . 6 1 1 A 77 77 PRO C C 77 177.458 176.005 1.453 1
1 914 . 6 1 1 A 77 77 PRO CA C 77 63.249 62.672 0.577 1
1 915 . 6 1 1 A 77 77 PRO CB C 77 32.180 31.215 0.965 1
1 918 . 6 1 1 A 78 78 SER H H 78 8.525 8.103 0.422 1
1 919 . 6 1 1 A 78 78 SER HA H 78 4.471 5.068 -0.597 1
1 922 . 6 1 1 A 78 78 SER C C 78 174.648 175.183 -0.535 1
1 923 . 6 1 1 A 78 78 SER CA C 78 58.460 56.473 1.987 1
1 924 . 6 1 1 A 78 78 SER CB C 78 63.885 66.376 -2.491 1
1 925 . 6 1 1 A 78 78 SER N N 78 116.381 114.465 1.916 1
1 926 . 6 1 1 A 79 79 SER H H 79 8.309 8.873 -0.564 1
1 927 . 6 1 1 A 79 79 SER HA H 79 4.457 4.382 0.075 1
1 930 . 6 1 1 A 79 79 SER C C 79 173.925 176.944 -3.019 1
1 931 . 6 1 1 A 79 79 SER CA C 79 58.401 60.871 -2.470 1
1 932 . 6 1 1 A 79 79 SER CB C 79 64.132 63.367 0.765 1
1 933 . 6 1 1 A 79 79 SER N N 79 117.741 117.378 0.363 1
1 1 . 7 1 1 A 8 8 GLY HA2 H 8 4.031 4.261 -0.230 1
1 2 . 7 1 1 A 8 8 GLY HA3 H 8 4.031 4.261 -0.230 1
1 3 . 7 1 1 A 8 8 GLY C C 8 174.729 171.794 2.935 1
1 4 . 7 1 1 A 8 8 GLY CA C 8 45.278 46.082 -0.804 1
1 5 . 7 1 1 A 9 9 THR H H 9 8.248 8.280 -0.032 1
1 6 . 7 1 1 A 9 9 THR HA H 9 4.376 5.132 -0.756 1
1 11 . 7 1 1 A 9 9 THR C C 9 175.485 174.304 1.181 1
1 12 . 7 1 1 A 9 9 THR CA C 9 61.837 60.956 0.881 1
1 13 . 7 1 1 A 9 9 THR CB C 9 69.737 72.736 -2.999 1
1 15 . 7 1 1 A 9 9 THR N N 9 112.908 115.677 -2.769 1
1 16 . 7 1 1 A 10 10 GLY H H 10 8.581 8.942 -0.361 1
1 17 . 7 1 1 A 10 10 GLY HA2 H 10 3.985 3.858 0.127 1
1 18 . 7 1 1 A 10 10 GLY HA3 H 10 3.985 3.858 0.127 1
1 19 . 7 1 1 A 10 10 GLY C C 10 174.705 174.244 0.461 1
1 20 . 7 1 1 A 10 10 GLY CA C 10 45.455 46.431 -0.976 1
1 21 . 7 1 1 A 10 10 GLY N N 10 111.487 113.514 -2.027 1
1 22 . 7 1 1 A 11 11 GLY H H 11 8.286 7.973 0.313 1
1 23 . 7 1 1 A 11 11 GLY HA2 H 11 3.958 4.180 -0.222 1
1 24 . 7 1 1 A 11 11 GLY HA3 H 11 3.958 4.181 -0.223 1
1 25 . 7 1 1 A 11 11 GLY C C 11 174.071 172.131 1.940 1
1 26 . 7 1 1 A 11 11 GLY CA C 11 45.101 44.801 0.300 1
1 27 . 7 1 1 A 11 11 GLY N N 11 108.887 108.445 0.442 1
1 28 . 7 1 1 A 12 12 GLU H H 12 8.333 8.645 -0.312 1
1 29 . 7 1 1 A 12 12 GLU HA H 12 4.271 4.923 -0.652 1
1 34 . 7 1 1 A 12 12 GLU C C 12 176.435 175.520 0.915 1
1 35 . 7 1 1 A 12 12 GLU CA C 12 56.278 55.613 0.665 1
1 36 . 7 1 1 A 12 12 GLU CB C 12 30.358 32.313 -1.955 1
1 38 . 7 1 1 A 12 12 GLU N N 12 120.407 123.958 -3.551 1
1 39 . 7 1 1 A 13 13 GLU H H 13 8.546 8.953 -0.407 1
1 40 . 7 1 1 A 13 13 GLU HA H 13 4.521 4.911 -0.390 1
1 45 . 7 1 1 A 13 13 GLU C C 13 174.648 173.783 0.865 1
1 46 . 7 1 1 A 13 13 GLU CA C 13 54.687 53.153 1.534 1
1 47 . 7 1 1 A 13 13 GLU CB C 13 29.688 32.195 -2.507 1
1 49 . 7 1 1 A 13 13 GLU N N 13 123.832 121.935 1.897 1
1 50 . 7 1 1 A 14 14 PRO HA H 14 4.375 4.713 -0.338 1
1 57 . 7 1 1 A 14 14 PRO C C 14 177.117 177.592 -0.475 1
1 58 . 7 1 1 A 14 14 PRO CA C 14 63.379 62.844 0.535 1
1 59 . 7 1 1 A 14 14 PRO CB C 14 32.003 31.956 0.047 1
1 62 . 7 1 1 A 15 15 GLN H H 15 8.543 9.058 -0.515 1
1 63 . 7 1 1 A 15 15 GLN HA H 15 4.230 3.933 0.297 1
1 70 . 7 1 1 A 15 15 GLN C C 15 176.459 175.860 0.599 1
1 71 . 7 1 1 A 15 15 GLN CA C 15 56.171 59.114 -2.943 1
1 72 . 7 1 1 A 15 15 GLN CB C 15 28.935 28.319 0.616 1
1 74 . 7 1 1 A 15 15 GLN N N 15 120.153 123.998 -3.845 1
1 76 . 7 1 1 A 16 16 ARG H H 16 8.337 8.135 0.202 1
1 77 . 7 1 1 A 16 16 ARG HA H 16 4.219 4.018 0.201 1
1 84 . 7 1 1 A 16 16 ARG C C 16 176.216 175.853 0.363 1
1 85 . 7 1 1 A 16 16 ARG CA C 16 56.809 56.906 -0.097 1
1 86 . 7 1 1 A 16 16 ARG CB C 16 30.666 27.920 2.746 1
1 89 . 7 1 1 A 16 16 ARG N N 16 122.090 117.386 4.704 1
1 90 . 7 1 1 A 17 17 ASP H H 17 8.313 7.819 0.494 1
1 91 . 7 1 1 A 17 17 ASP HA H 17 4.523 4.774 -0.251 1
1 94 . 7 1 1 A 17 17 ASP C C 17 176.727 175.960 0.767 1
1 95 . 7 1 1 A 17 17 ASP CA C 17 54.591 55.009 -0.418 1
1 96 . 7 1 1 A 17 17 ASP CB C 17 41.097 41.108 -0.011 1
1 97 . 7 1 1 A 17 17 ASP N N 17 120.664 119.425 1.239 1
1 98 . 7 1 1 A 18 18 LYS H H 18 8.276 8.805 -0.529 1
1 99 . 7 1 1 A 18 18 LYS HA H 18 4.175 4.486 -0.311 1
1 108 . 7 1 1 A 18 18 LYS C C 18 176.971 174.774 2.197 1
1 109 . 7 1 1 A 18 18 LYS CA C 18 56.971 56.272 0.699 1
1 110 . 7 1 1 A 18 18 LYS CB C 18 32.562 32.073 0.489 1
1 114 . 7 1 1 A 18 18 LYS N N 18 122.504 123.929 -1.425 1
1 115 . 7 1 1 A 19 19 ARG H H 19 8.240 7.671 0.569 1
1 116 . 7 1 1 A 19 19 ARG HA H 19 4.205 4.751 -0.546 1
1 123 . 7 1 1 A 19 19 ARG C C 19 176.532 174.042 2.490 1
1 124 . 7 1 1 A 19 19 ARG CA C 19 56.632 55.104 1.528 1
1 125 . 7 1 1 A 19 19 ARG CB C 19 30.647 33.875 -3.228 1
1 128 . 7 1 1 A 19 19 ARG N N 19 120.296 116.817 3.479 1
1 129 . 7 1 1 A 20 20 LEU H H 20 8.068 8.722 -0.654 1
1 130 . 7 1 1 A 20 20 LEU HA H 20 4.262 4.851 -0.589 1
1 140 . 7 1 1 A 20 20 LEU C C 20 177.288 174.986 2.302 1
1 141 . 7 1 1 A 20 20 LEU CA C 20 55.110 53.515 1.595 1
1 142 . 7 1 1 A 20 20 LEU CB C 20 42.081 46.647 -4.566 1
1 146 . 7 1 1 A 20 20 LEU N N 20 121.867 122.570 -0.703 1
1 147 . 7 1 1 A 21 21 ARG H H 21 8.226 8.734 -0.508 1
1 148 . 7 1 1 A 21 21 ARG HA H 21 4.413 5.043 -0.630 1
1 155 . 7 1 1 A 21 21 ARG C C 21 176.313 177.465 -1.152 1
1 156 . 7 1 1 A 21 21 ARG CA C 21 56.194 54.018 2.176 1
1 157 . 7 1 1 A 21 21 ARG CB C 21 30.996 33.816 -2.820 1
1 160 . 7 1 1 A 21 21 ARG N N 21 121.612 121.092 0.520 1
1 161 . 7 1 1 A 22 22 THR H H 22 8.215 8.692 -0.477 1
1 162 . 7 1 1 A 22 22 THR HA H 22 4.405 4.093 0.312 1
1 167 . 7 1 1 A 22 22 THR C C 22 174.169 175.208 -1.039 1
1 168 . 7 1 1 A 22 22 THR CA C 22 61.963 65.063 -3.100 1
1 169 . 7 1 1 A 22 22 THR CB C 22 69.779 68.690 1.089 1
1 171 . 7 1 1 A 22 22 THR N N 22 114.661 115.700 -1.039 1
1 172 . 7 1 1 A 23 23 THR H H 23 8.087 7.543 0.544 1
1 173 . 7 1 1 A 23 23 THR HA H 23 4.308 4.428 -0.120 1
1 178 . 7 1 1 A 23 23 THR C C 23 173.413 173.409 0.004 1
1 179 . 7 1 1 A 23 23 THR CA C 23 62.158 61.648 0.510 1
1 180 . 7 1 1 A 23 23 THR CB C 23 69.916 70.873 -0.957 1
1 182 . 7 1 1 A 23 23 THR N N 23 118.008 113.691 4.317 1
1 183 . 7 1 1 A 24 24 ILE H H 24 8.110 8.253 -0.143 1
1 184 . 7 1 1 A 24 24 ILE HA H 24 4.200 5.086 -0.886 1
1 194 . 7 1 1 A 24 24 ILE C C 24 176.654 175.734 0.920 1
1 195 . 7 1 1 A 24 24 ILE CA C 24 61.690 59.514 2.176 1
1 196 . 7 1 1 A 24 24 ILE CB C 24 39.487 41.242 -1.755 1
1 200 . 7 1 1 A 24 24 ILE N N 24 124.852 120.731 4.121 1
1 201 . 7 1 1 A 25 25 THR H H 25 9.023 8.587 0.436 1
1 202 . 7 1 1 A 25 25 THR HA H 25 4.564 4.975 -0.411 1
1 207 . 7 1 1 A 25 25 THR C C 25 173.433 174.263 -0.830 1
1 208 . 7 1 1 A 25 25 THR CA C 25 60.759 58.697 2.062 1
1 209 . 7 1 1 A 25 25 THR CB C 25 68.089 69.609 -1.520 1
1 211 . 7 1 1 A 25 25 THR N N 25 120.568 115.779 4.789 1
1 212 . 7 1 1 A 26 26 PRO HA H 26 4.172 4.569 -0.397 1
1 219 . 7 1 1 A 26 26 PRO C C 26 179.237 177.326 1.911 1
1 220 . 7 1 1 A 26 26 PRO CA C 26 65.917 64.507 1.410 1
1 221 . 7 1 1 A 26 26 PRO CB C 26 31.725 31.746 -0.021 1
1 224 . 7 1 1 A 27 27 GLU H H 27 8.722 8.473 0.249 1
1 225 . 7 1 1 A 27 27 GLU HA H 27 4.006 4.249 -0.243 1
1 230 . 7 1 1 A 27 27 GLU C C 27 179.749 178.269 1.480 1
1 231 . 7 1 1 A 27 27 GLU CA C 27 60.353 57.607 2.746 1
1 232 . 7 1 1 A 27 27 GLU CB C 27 28.851 29.981 -1.130 1
1 234 . 7 1 1 A 27 27 GLU N N 27 117.087 117.364 -0.277 1
1 235 . 7 1 1 A 28 28 GLN H H 28 7.666 7.975 -0.309 1
1 236 . 7 1 1 A 28 28 GLN HA H 28 3.767 4.094 -0.327 1
1 243 . 7 1 1 A 28 28 GLN C C 28 177.872 177.984 -0.112 1
1 244 . 7 1 1 A 28 28 GLN CA C 28 58.821 58.288 0.533 1
1 245 . 7 1 1 A 28 28 GLN CB C 28 29.401 28.646 0.755 1
1 247 . 7 1 1 A 28 28 GLN N N 28 119.298 119.447 -0.149 1
1 249 . 7 1 1 A 29 29 LEU H H 29 8.453 8.036 0.417 1
1 250 . 7 1 1 A 29 29 LEU HA H 29 3.484 3.523 -0.039 1
1 260 . 7 1 1 A 29 29 LEU C C 29 178.092 178.658 -0.566 1
1 261 . 7 1 1 A 29 29 LEU CA C 29 57.737 57.577 0.160 1
1 262 . 7 1 1 A 29 29 LEU CB C 29 41.578 41.568 0.010 1
1 266 . 7 1 1 A 29 29 LEU N N 29 120.145 120.496 -0.351 1
1 267 . 7 1 1 A 30 30 GLU H H 30 7.607 8.337 -0.730 1
1 268 . 7 1 1 A 30 30 GLU HA H 30 4.069 4.121 -0.052 1
1 273 . 7 1 1 A 30 30 GLU C C 30 179.140 179.397 -0.257 1
1 274 . 7 1 1 A 30 30 GLU CA C 30 59.334 59.700 -0.366 1
1 275 . 7 1 1 A 30 30 GLU CB C 30 29.512 29.507 0.005 1
1 277 . 7 1 1 A 30 30 GLU N N 30 116.903 116.540 0.363 1
1 278 . 7 1 1 A 31 31 ILE H H 31 7.070 8.117 -1.047 1
1 279 . 7 1 1 A 31 31 ILE HA H 31 3.692 3.691 0.001 1
1 289 . 7 1 1 A 31 31 ILE C C 31 178.287 178.591 -0.304 1
1 290 . 7 1 1 A 31 31 ILE CA C 31 64.416 65.701 -1.285 1
1 291 . 7 1 1 A 31 31 ILE CB C 31 37.777 37.860 -0.083 1
1 295 . 7 1 1 A 31 31 ILE N N 31 118.947 121.137 -2.190 1
1 296 . 7 1 1 A 32 32 LEU H H 32 8.126 8.144 -0.018 1
1 297 . 7 1 1 A 32 32 LEU HA H 32 3.418 3.835 -0.417 1
1 307 . 7 1 1 A 32 32 LEU C C 32 178.311 178.991 -0.680 1
1 308 . 7 1 1 A 32 32 LEU CA C 32 58.497 57.885 0.612 1
1 309 . 7 1 1 A 32 32 LEU CB C 32 38.146 41.154 -3.008 1
1 313 . 7 1 1 A 32 32 LEU N N 32 120.437 119.169 1.268 1
1 314 . 7 1 1 A 33 33 TYR H H 33 8.312 8.463 -0.151 1
1 315 . 7 1 1 A 33 33 TYR HA H 33 4.358 4.625 -0.267 1
1 322 . 7 1 1 A 33 33 TYR C C 33 178.214 178.610 -0.396 1
1 323 . 7 1 1 A 33 33 TYR CA C 33 62.645 61.043 1.602 1
1 324 . 7 1 1 A 33 33 TYR CB C 33 37.807 37.958 -0.151 1
1 329 . 7 1 1 A 33 33 TYR N N 33 117.248 118.115 -0.867 1
1 330 . 7 1 1 A 34 34 GLN H H 34 7.750 8.591 -0.841 1
1 331 . 7 1 1 A 34 34 GLN HA H 34 3.967 3.978 -0.011 1
1 338 . 7 1 1 A 34 34 GLN C C 34 180.065 179.074 0.991 1
1 339 . 7 1 1 A 34 34 GLN CA C 34 59.143 59.387 -0.244 1
1 340 . 7 1 1 A 34 34 GLN CB C 34 27.781 28.615 -0.834 1
1 342 . 7 1 1 A 34 34 GLN N N 34 117.509 118.254 -0.745 1
1 344 . 7 1 1 A 35 35 LYS H H 35 8.381 7.907 0.474 1
1 345 . 7 1 1 A 35 35 LYS HA H 35 4.132 4.263 -0.131 1
1 354 . 7 1 1 A 35 35 LYS C C 35 179.456 178.575 0.881 1
1 355 . 7 1 1 A 35 35 LYS CA C 35 57.839 58.459 -0.620 1
1 356 . 7 1 1 A 35 35 LYS CB C 35 31.487 32.603 -1.116 1
1 360 . 7 1 1 A 35 35 LYS N N 35 117.671 120.368 -2.697 1
1 361 . 7 1 1 A 36 36 TYR H H 36 9.036 8.446 0.590 1
1 362 . 7 1 1 A 36 36 TYR HA H 36 4.164 4.747 -0.583 1
1 369 . 7 1 1 A 36 36 TYR C C 36 176.630 177.586 -0.956 1
1 370 . 7 1 1 A 36 36 TYR CA C 36 61.726 61.441 0.285 1
1 371 . 7 1 1 A 36 36 TYR CB C 36 38.579 38.461 0.118 1
1 376 . 7 1 1 A 36 36 TYR N N 36 124.434 122.959 1.475 1
1 377 . 7 1 1 A 37 37 LEU H H 37 7.848 9.134 -1.286 1
1 378 . 7 1 1 A 37 37 LEU HA H 37 3.918 3.769 0.149 1
1 388 . 7 1 1 A 37 37 LEU C C 37 179.334 179.650 -0.316 1
1 389 . 7 1 1 A 37 37 LEU CA C 37 56.827 58.058 -1.231 1
1 390 . 7 1 1 A 37 37 LEU CB C 37 42.069 41.572 0.497 1
1 394 . 7 1 1 A 37 37 LEU N N 37 116.192 120.043 -3.851 1
1 395 . 7 1 1 A 38 38 LEU H H 38 7.230 7.249 -0.019 1
1 396 . 7 1 1 A 38 38 LEU HA H 38 4.150 4.279 -0.129 1
1 406 . 7 1 1 A 38 38 LEU C C 38 178.116 176.389 1.727 1
1 407 . 7 1 1 A 38 38 LEU CA C 38 56.915 56.731 0.184 1
1 408 . 7 1 1 A 38 38 LEU CB C 38 42.336 42.280 0.056 1
1 412 . 7 1 1 A 38 38 LEU N N 38 118.422 113.575 4.847 1
1 413 . 7 1 1 A 39 39 ASP H H 39 7.543 8.078 -0.535 1
1 414 . 7 1 1 A 39 39 ASP HA H 39 4.364 4.951 -0.587 1
1 417 . 7 1 1 A 39 39 ASP C C 39 174.778 175.748 -0.970 1
1 418 . 7 1 1 A 39 39 ASP CA C 39 54.731 53.355 1.376 1
1 419 . 7 1 1 A 39 39 ASP CB C 39 41.134 42.579 -1.445 1
1 420 . 7 1 1 A 39 39 ASP N N 39 117.417 119.405 -1.988 1
1 421 . 7 1 1 A 40 40 SER H H 40 8.240 8.730 -0.490 1
1 422 . 7 1 1 A 40 40 SER HA H 40 3.984 4.673 -0.689 1
1 425 . 7 1 1 A 40 40 SER C C 40 174.169 174.373 -0.204 1
1 426 . 7 1 1 A 40 40 SER CA C 40 58.825 58.755 0.070 1
1 427 . 7 1 1 A 40 40 SER CB C 40 63.964 63.920 0.044 1
1 428 . 7 1 1 A 40 40 SER N N 40 119.077 121.745 -2.668 1
1 429 . 7 1 1 A 41 41 ASN H H 41 8.711 7.876 0.835 1
1 430 . 7 1 1 A 41 41 ASN HA H 41 5.007 5.255 -0.248 1
1 435 . 7 1 1 A 41 41 ASN C C 41 171.078 172.369 -1.291 1
1 436 . 7 1 1 A 41 41 ASN CA C 41 51.291 50.852 0.439 1
1 437 . 7 1 1 A 41 41 ASN CB C 41 39.815 39.501 0.314 1
1 438 . 7 1 1 A 41 41 ASN N N 41 119.546 119.428 0.118 1
1 440 . 7 1 1 A 42 42 PRO HA H 42 4.408 4.691 -0.283 1
1 447 . 7 1 1 A 42 42 PRO C C 42 177.028 175.916 1.112 1
1 448 . 7 1 1 A 42 42 PRO CA C 42 62.678 62.586 0.092 1
1 449 . 7 1 1 A 42 42 PRO CB C 42 31.869 32.566 -0.697 1
1 452 . 7 1 1 A 43 43 THR H H 43 7.797 8.367 -0.570 1
1 453 . 7 1 1 A 43 43 THR HA H 43 4.205 4.670 -0.465 1
1 458 . 7 1 1 A 43 43 THR C C 43 174.729 175.148 -0.419 1
1 459 . 7 1 1 A 43 43 THR CA C 43 60.690 60.066 0.624 1
1 460 . 7 1 1 A 43 43 THR CB C 43 71.138 70.711 0.427 1
1 462 . 7 1 1 A 43 43 THR N N 43 111.399 116.791 -5.392 1
1 463 . 7 1 1 A 44 44 ARG H H 44 8.718 8.977 -0.259 1
1 464 . 7 1 1 A 44 44 ARG HA H 44 3.863 3.891 -0.028 1
1 471 . 7 1 1 A 44 44 ARG C C 44 178.384 177.901 0.483 1
1 472 . 7 1 1 A 44 44 ARG CA C 44 60.014 59.905 0.109 1
1 473 . 7 1 1 A 44 44 ARG CB C 44 29.512 30.040 -0.528 1
1 476 . 7 1 1 A 44 44 ARG N N 44 120.640 127.026 -6.386 1
1 477 . 7 1 1 A 45 45 LYS H H 45 8.142 7.838 0.304 1
1 478 . 7 1 1 A 45 45 LYS HA H 45 4.070 4.002 0.068 1
1 487 . 7 1 1 A 45 45 LYS C C 45 179.334 178.629 0.705 1
1 488 . 7 1 1 A 45 45 LYS CA C 45 59.170 59.375 -0.205 1
1 489 . 7 1 1 A 45 45 LYS CB C 45 32.457 32.303 0.154 1
1 493 . 7 1 1 A 45 45 LYS N N 45 117.851 119.409 -1.558 1
1 494 . 7 1 1 A 46 46 MET H H 46 7.560 8.251 -0.691 1
1 495 . 7 1 1 A 46 46 MET HA H 46 4.329 4.134 0.195 1
1 503 . 7 1 1 A 46 46 MET C C 46 178.774 178.811 -0.037 1
1 504 . 7 1 1 A 46 46 MET CA C 46 57.799 58.574 -0.775 1
1 505 . 7 1 1 A 46 46 MET CB C 46 32.210 32.976 -0.766 1
1 508 . 7 1 1 A 46 46 MET N N 46 119.433 118.321 1.112 1
1 509 . 7 1 1 A 47 47 LEU H H 47 8.624 8.030 0.594 1
1 510 . 7 1 1 A 47 47 LEU HA H 47 3.758 3.766 -0.008 1
1 520 . 7 1 1 A 47 47 LEU C C 47 178.701 178.897 -0.196 1
1 521 . 7 1 1 A 47 47 LEU CA C 47 58.648 58.030 0.618 1
1 522 . 7 1 1 A 47 47 LEU CB C 47 42.248 41.424 0.824 1
1 526 . 7 1 1 A 47 47 LEU N N 47 120.980 119.591 1.389 1
1 527 . 7 1 1 A 48 48 ASP H H 48 7.891 8.368 -0.477 1
1 528 . 7 1 1 A 48 48 ASP HA H 48 4.275 4.328 -0.053 1
1 531 . 7 1 1 A 48 48 ASP C C 48 178.798 178.190 0.608 1
1 532 . 7 1 1 A 48 48 ASP CA C 48 57.662 57.355 0.307 1
1 533 . 7 1 1 A 48 48 ASP CB C 48 40.347 41.333 -0.986 1
1 534 . 7 1 1 A 48 48 ASP N N 48 119.025 119.715 -0.690 1
1 535 . 7 1 1 A 49 49 HIS H H 49 7.760 7.937 -0.177 1
1 536 . 7 1 1 A 49 49 HIS HA H 49 4.390 4.280 0.110 1
1 540 . 7 1 1 A 49 49 HIS C C 49 178.287 177.389 0.898 1
1 541 . 7 1 1 A 49 49 HIS CA C 49 59.930 60.199 -0.269 1
1 542 . 7 1 1 A 49 49 HIS CB C 49 30.348 30.299 0.049 1
1 544 . 7 1 1 A 49 49 HIS N N 49 120.629 118.938 1.691 1
1 545 . 7 1 1 A 50 50 ILE H H 50 8.934 8.709 0.225 1
1 546 . 7 1 1 A 50 50 ILE HA H 50 3.619 3.635 -0.016 1
1 556 . 7 1 1 A 50 50 ILE C C 50 177.410 178.263 -0.853 1
1 557 . 7 1 1 A 50 50 ILE CA C 50 65.779 65.713 0.066 1
1 558 . 7 1 1 A 50 50 ILE CB C 50 38.622 37.738 0.884 1
1 562 . 7 1 1 A 50 50 ILE N N 50 120.913 120.097 0.816 1
1 563 . 7 1 1 A 51 51 ALA H H 51 8.423 8.092 0.331 1
1 564 . 7 1 1 A 51 51 ALA HA H 51 3.859 4.097 -0.238 1
1 568 . 7 1 1 A 51 51 ALA C C 51 179.213 179.891 -0.678 1
1 569 . 7 1 1 A 51 51 ALA CA C 51 56.348 54.768 1.580 1
1 570 . 7 1 1 A 51 51 ALA CB C 51 17.292 18.001 -0.709 1
1 571 . 7 1 1 A 51 51 ALA N N 51 120.695 121.104 -0.409 1
1 572 . 7 1 1 A 52 52 HIS H H 52 7.735 7.973 -0.238 1
1 573 . 7 1 1 A 52 52 HIS HA H 52 4.273 4.175 0.098 1
1 577 . 7 1 1 A 52 52 HIS C C 52 177.799 177.236 0.563 1
1 578 . 7 1 1 A 52 52 HIS CA C 52 59.406 59.308 0.098 1
1 579 . 7 1 1 A 52 52 HIS CB C 52 29.842 29.667 0.175 1
1 581 . 7 1 1 A 52 52 HIS N N 52 115.822 117.954 -2.132 1
1 582 . 7 1 1 A 53 53 GLU H H 53 8.299 8.343 -0.044 1
1 583 . 7 1 1 A 53 53 GLU HA H 53 3.842 3.892 -0.050 1
1 588 . 7 1 1 A 53 53 GLU C C 53 178.652 178.156 0.496 1
1 589 . 7 1 1 A 53 53 GLU CA C 53 59.434 59.160 0.274 1
1 590 . 7 1 1 A 53 53 GLU CB C 53 30.204 29.082 1.122 1
1 592 . 7 1 1 A 53 53 GLU N N 53 120.073 117.683 2.390 1
1 593 . 7 1 1 A 54 54 VAL H H 54 8.446 7.763 0.683 1
1 594 . 7 1 1 A 54 54 VAL HA H 54 4.150 3.970 0.180 1
1 602 . 7 1 1 A 54 54 VAL C C 54 175.899 176.706 -0.807 1
1 603 . 7 1 1 A 54 54 VAL CA C 54 62.001 64.116 -2.115 1
1 604 . 7 1 1 A 54 54 VAL CB C 54 33.000 31.892 1.108 1
1 607 . 7 1 1 A 54 54 VAL N N 54 112.194 118.623 -6.429 1
1 608 . 7 1 1 A 55 55 GLY H H 55 7.879 8.139 -0.260 1
1 609 . 7 1 1 A 55 55 GLY HA2 H 55 3.975 3.869 0.106 1
1 610 . 7 1 1 A 55 55 GLY HA3 H 55 3.814 3.895 -0.081 1
1 611 . 7 1 1 A 55 55 GLY C C 55 174.461 174.163 0.298 1
1 612 . 7 1 1 A 55 55 GLY CA C 55 46.551 46.268 0.283 1
1 613 . 7 1 1 A 55 55 GLY N N 55 111.306 109.936 1.370 1
1 614 . 7 1 1 A 56 56 LEU H H 56 7.766 7.497 0.269 1
1 615 . 7 1 1 A 56 56 LEU HA H 56 4.825 4.782 0.043 1
1 625 . 7 1 1 A 56 56 LEU C C 56 175.704 175.605 0.099 1
1 626 . 7 1 1 A 56 56 LEU CA C 56 52.223 53.378 -1.155 1
1 627 . 7 1 1 A 56 56 LEU CB C 56 47.913 45.578 2.335 1
1 631 . 7 1 1 A 56 56 LEU N N 56 119.685 121.295 -1.610 1
1 632 . 7 1 1 A 57 57 LYS H H 57 8.268 8.455 -0.187 1
1 633 . 7 1 1 A 57 57 LYS HA H 57 4.212 4.182 0.030 1
1 642 . 7 1 1 A 57 57 LYS C C 57 178.555 177.662 0.893 1
1 643 . 7 1 1 A 57 57 LYS CA C 57 56.375 57.257 -0.882 1
1 644 . 7 1 1 A 57 57 LYS CB C 57 32.750 32.458 0.292 1
1 648 . 7 1 1 A 57 57 LYS N N 57 118.380 125.363 -6.983 1
1 649 . 7 1 1 A 58 58 LYS H H 58 8.853 8.989 -0.136 1
1 650 . 7 1 1 A 58 58 LYS HA H 58 3.670 3.813 -0.143 1
1 659 . 7 1 1 A 58 58 LYS C C 58 178.652 178.233 0.419 1
1 660 . 7 1 1 A 58 58 LYS CA C 58 61.026 60.550 0.476 1
1 661 . 7 1 1 A 58 58 LYS CB C 58 31.655 32.244 -0.589 1
1 665 . 7 1 1 A 58 58 LYS N N 58 123.883 126.014 -2.131 1
1 666 . 7 1 1 A 59 59 ARG H H 59 8.834 7.718 1.116 1
1 667 . 7 1 1 A 59 59 ARG HA H 59 4.120 4.116 0.004 1
1 674 . 7 1 1 A 59 59 ARG C C 59 177.872 178.822 -0.950 1
1 675 . 7 1 1 A 59 59 ARG CA C 59 58.851 58.841 0.010 1
1 676 . 7 1 1 A 59 59 ARG CB C 59 29.832 29.825 0.007 1
1 679 . 7 1 1 A 59 59 ARG N N 59 117.315 119.369 -2.054 1
1 680 . 7 1 1 A 60 60 VAL H H 60 6.892 8.096 -1.204 1
1 681 . 7 1 1 A 60 60 VAL HA H 60 3.677 3.756 -0.079 1
1 689 . 7 1 1 A 60 60 VAL C C 60 178.701 178.581 0.120 1
1 690 . 7 1 1 A 60 60 VAL CA C 60 65.741 66.113 -0.372 1
1 691 . 7 1 1 A 60 60 VAL CB C 60 31.520 31.636 -0.116 1
1 694 . 7 1 1 A 60 60 VAL N N 60 117.560 119.780 -2.220 1
1 695 . 7 1 1 A 61 61 VAL H H 61 7.394 8.073 -0.679 1
1 696 . 7 1 1 A 61 61 VAL HA H 61 3.647 3.756 -0.109 1
1 704 . 7 1 1 A 61 61 VAL C C 61 177.385 178.367 -0.982 1
1 705 . 7 1 1 A 61 61 VAL CA C 61 67.232 66.735 0.497 1
1 706 . 7 1 1 A 61 61 VAL CB C 61 32.125 31.589 0.536 1
1 709 . 7 1 1 A 61 61 VAL N N 61 119.625 120.978 -1.353 1
1 710 . 7 1 1 A 62 62 GLN H H 62 8.681 8.384 0.297 1
1 711 . 7 1 1 A 62 62 GLN HA H 62 4.047 3.956 0.091 1
1 718 . 7 1 1 A 62 62 GLN C C 62 178.798 178.393 0.405 1
1 719 . 7 1 1 A 62 62 GLN CA C 62 60.169 58.863 1.306 1
1 720 . 7 1 1 A 62 62 GLN CB C 62 28.935 28.154 0.781 1
1 722 . 7 1 1 A 62 62 GLN N N 62 119.803 120.185 -0.382 1
1 724 . 7 1 1 A 63 63 VAL H H 63 8.279 8.047 0.232 1
1 725 . 7 1 1 A 63 63 VAL HA H 63 3.703 3.853 -0.150 1
1 733 . 7 1 1 A 63 63 VAL C C 63 177.263 178.045 -0.782 1
1 734 . 7 1 1 A 63 63 VAL CA C 63 66.384 66.020 0.364 1
1 735 . 7 1 1 A 63 63 VAL CB C 63 31.983 31.821 0.162 1
1 738 . 7 1 1 A 63 63 VAL N N 63 120.104 119.231 0.873 1
1 739 . 7 1 1 A 64 64 TRP H H 64 8.376 8.377 -0.001 1
1 740 . 7 1 1 A 64 64 TRP HA H 64 4.015 4.195 -0.180 1
1 749 . 7 1 1 A 64 64 TRP C C 64 180.309 177.994 2.315 1
1 750 . 7 1 1 A 64 64 TRP CA C 64 63.421 60.559 2.862 1
1 751 . 7 1 1 A 64 64 TRP CB C 64 28.382 29.844 -1.462 1
1 757 . 7 1 1 A 64 64 TRP N N 64 122.121 121.682 0.439 1
1 759 . 7 1 1 A 65 65 PHE H H 65 9.032 8.047 0.985 1
1 760 . 7 1 1 A 65 65 PHE HA H 65 3.662 4.295 -0.633 1
1 768 . 7 1 1 A 65 65 PHE C C 65 178.214 178.739 -0.525 1
1 769 . 7 1 1 A 65 65 PHE CA C 65 63.919 61.118 2.801 1
1 770 . 7 1 1 A 65 65 PHE CB C 65 39.512 39.494 0.018 1
1 776 . 7 1 1 A 65 65 PHE N N 65 120.975 116.674 4.301 1
1 777 . 7 1 1 A 66 66 GLN H H 66 8.021 7.879 0.142 1
1 778 . 7 1 1 A 66 66 GLN HA H 66 3.957 4.062 -0.105 1
1 785 . 7 1 1 A 66 66 GLN C C 66 179.066 177.946 1.120 1
1 786 . 7 1 1 A 66 66 GLN CA C 66 59.426 58.713 0.713 1
1 787 . 7 1 1 A 66 66 GLN CB C 66 28.536 28.024 0.512 1
1 789 . 7 1 1 A 66 66 GLN N N 66 117.887 116.958 0.929 1
1 791 . 7 1 1 A 67 67 ASN H H 67 8.807 7.975 0.832 1
1 792 . 7 1 1 A 67 67 ASN HA H 67 4.331 4.467 -0.136 1
1 797 . 7 1 1 A 67 67 ASN C C 67 177.775 177.813 -0.038 1
1 798 . 7 1 1 A 67 67 ASN CA C 67 55.461 55.988 -0.527 1
1 799 . 7 1 1 A 67 67 ASN CB C 67 37.718 38.354 -0.636 1
1 800 . 7 1 1 A 67 67 ASN N N 67 119.312 118.431 0.881 1
1 802 . 7 1 1 A 68 68 THR H H 68 8.092 7.391 0.701 1
1 803 . 7 1 1 A 68 68 THR HA H 68 3.262 3.386 -0.124 1
1 808 . 7 1 1 A 68 68 THR C C 68 175.972 176.176 -0.204 1
1 809 . 7 1 1 A 68 68 THR CA C 68 66.903 66.685 0.218 1
1 810 . 7 1 1 A 68 68 THR CB C 68 67.800 67.746 0.054 1
1 812 . 7 1 1 A 68 68 THR N N 68 120.500 116.638 3.862 1
1 813 . 7 1 1 A 69 69 ARG H H 69 8.154 8.012 0.142 1
1 814 . 7 1 1 A 69 69 ARG HA H 69 4.362 4.074 0.288 1
1 821 . 7 1 1 A 69 69 ARG C C 69 179.432 178.821 0.611 1
1 822 . 7 1 1 A 69 69 ARG CA C 69 59.805 59.912 -0.107 1
1 823 . 7 1 1 A 69 69 ARG CB C 69 31.490 30.360 1.130 1
1 826 . 7 1 1 A 69 69 ARG N N 69 121.451 119.618 1.833 1
1 827 . 7 1 1 A 70 70 ALA H H 70 7.686 7.844 -0.158 1
1 828 . 7 1 1 A 70 70 ALA HA H 70 4.107 4.053 0.054 1
1 832 . 7 1 1 A 70 70 ALA C C 70 179.724 180.057 -0.333 1
1 833 . 7 1 1 A 70 70 ALA CA C 70 54.512 54.991 -0.479 1
1 834 . 7 1 1 A 70 70 ALA CB C 70 18.187 18.498 -0.311 1
1 835 . 7 1 1 A 70 70 ALA N N 70 119.887 121.706 -1.819 1
1 836 . 7 1 1 A 71 71 ARG H H 71 7.588 7.686 -0.098 1
1 837 . 7 1 1 A 71 71 ARG HA H 71 4.073 4.002 0.071 1
1 844 . 7 1 1 A 71 71 ARG C C 71 177.775 179.301 -1.526 1
1 845 . 7 1 1 A 71 71 ARG CA C 71 57.849 59.710 -1.861 1
1 846 . 7 1 1 A 71 71 ARG CB C 71 30.419 30.092 0.327 1
1 849 . 7 1 1 A 71 71 ARG N N 71 117.554 117.638 -0.084 1
1 850 . 7 1 1 A 72 72 GLU H H 72 7.776 8.372 -0.596 1
1 851 . 7 1 1 A 72 72 GLU HA H 72 4.129 4.050 0.079 1
1 856 . 7 1 1 A 72 72 GLU C C 72 177.190 179.132 -1.942 1
1 857 . 7 1 1 A 72 72 GLU CA C 72 57.625 59.262 -1.637 1
1 858 . 7 1 1 A 72 72 GLU CB C 72 29.815 29.392 0.423 1
1 860 . 7 1 1 A 72 72 GLU N N 72 119.019 119.665 -0.646 1
1 861 . 7 1 1 A 73 73 ARG H H 73 7.956 8.525 -0.569 1
1 862 . 7 1 1 A 73 73 ARG HA H 73 4.228 4.112 0.116 1
1 869 . 7 1 1 A 73 73 ARG C C 73 176.581 176.890 -0.309 1
1 870 . 7 1 1 A 73 73 ARG CA C 73 56.773 59.047 -2.274 1
1 871 . 7 1 1 A 73 73 ARG CB C 73 30.254 29.965 0.289 1
1 874 . 7 1 1 A 73 73 ARG N N 73 119.948 118.457 1.491 1
1 875 . 7 1 1 A 74 74 LYS H H 74 8.155 8.103 0.052 1
1 876 . 7 1 1 A 74 74 LYS HA H 74 4.329 4.248 0.081 1
1 885 . 7 1 1 A 74 74 LYS C C 74 176.703 175.852 0.851 1
1 886 . 7 1 1 A 74 74 LYS CA C 74 56.458 56.876 -0.418 1
1 887 . 7 1 1 A 74 74 LYS CB C 74 32.825 33.182 -0.357 1
1 891 . 7 1 1 A 74 74 LYS N N 74 121.577 121.094 0.483 1
1 892 . 7 1 1 A 75 75 SER H H 75 8.246 8.504 -0.258 1
1 893 . 7 1 1 A 75 75 SER HA H 75 4.474 5.390 -0.916 1
1 896 . 7 1 1 A 75 75 SER C C 75 174.486 173.543 0.943 1
1 897 . 7 1 1 A 75 75 SER CA C 75 58.365 57.337 1.028 1
1 898 . 7 1 1 A 75 75 SER CB C 75 63.967 65.788 -1.821 1
1 899 . 7 1 1 A 75 75 SER N N 75 116.340 117.688 -1.348 1
1 900 . 7 1 1 A 76 76 GLY H H 76 8.205 8.303 -0.098 1
1 901 . 7 1 1 A 76 76 GLY HA2 H 76 4.118 4.146 -0.028 1
1 902 . 7 1 1 A 76 76 GLY HA3 H 76 4.118 4.147 -0.029 1
1 903 . 7 1 1 A 76 76 GLY C C 76 171.758 171.848 -0.090 1
1 904 . 7 1 1 A 76 76 GLY CA C 76 44.661 44.638 0.023 1
1 905 . 7 1 1 A 76 76 GLY N N 76 110.555 110.207 0.348 1
1 906 . 7 1 1 A 77 77 PRO HA H 77 4.450 4.603 -0.153 1
1 913 . 7 1 1 A 77 77 PRO C C 77 177.458 175.740 1.718 1
1 914 . 7 1 1 A 77 77 PRO CA C 77 63.249 62.612 0.637 1
1 915 . 7 1 1 A 77 77 PRO CB C 77 32.180 33.117 -0.937 1
1 918 . 7 1 1 A 78 78 SER H H 78 8.525 8.527 -0.002 1
1 919 . 7 1 1 A 78 78 SER HA H 78 4.471 4.756 -0.285 1
1 922 . 7 1 1 A 78 78 SER C C 78 174.648 174.493 0.155 1
1 923 . 7 1 1 A 78 78 SER CA C 78 58.460 57.316 1.144 1
1 924 . 7 1 1 A 78 78 SER CB C 78 63.885 62.480 1.405 1
1 925 . 7 1 1 A 78 78 SER N N 78 116.381 119.009 -2.628 1
1 926 . 7 1 1 A 79 79 SER H H 79 8.309 8.642 -0.333 1
1 927 . 7 1 1 A 79 79 SER HA H 79 4.457 4.128 0.329 1
1 930 . 7 1 1 A 79 79 SER C C 79 173.925 173.760 0.165 1
1 931 . 7 1 1 A 79 79 SER CA C 79 58.401 59.388 -0.987 1
1 932 . 7 1 1 A 79 79 SER CB C 79 64.132 61.117 3.015 1
1 933 . 7 1 1 A 79 79 SER N N 79 117.741 120.434 -2.693 1
1 1 . 8 1 1 A 8 8 GLY HA2 H 8 4.031 3.881 0.150 1
1 2 . 8 1 1 A 8 8 GLY HA3 H 8 4.031 3.881 0.150 1
1 3 . 8 1 1 A 8 8 GLY C C 8 174.729 173.689 1.040 1
1 4 . 8 1 1 A 8 8 GLY CA C 8 45.278 47.176 -1.898 1
1 5 . 8 1 1 A 9 9 THR H H 9 8.248 8.733 -0.485 1
1 6 . 8 1 1 A 9 9 THR HA H 9 4.376 4.250 0.126 1
1 11 . 8 1 1 A 9 9 THR C C 9 175.485 175.252 0.233 1
1 12 . 8 1 1 A 9 9 THR CA C 9 61.837 63.515 -1.678 1
1 13 . 8 1 1 A 9 9 THR CB C 9 69.737 69.104 0.633 1
1 15 . 8 1 1 A 9 9 THR N N 9 112.908 118.299 -5.391 1
1 16 . 8 1 1 A 10 10 GLY H H 10 8.581 8.715 -0.134 1
1 17 . 8 1 1 A 10 10 GLY HA2 H 10 3.985 4.110 -0.125 1
1 18 . 8 1 1 A 10 10 GLY HA3 H 10 3.985 4.110 -0.125 1
1 19 . 8 1 1 A 10 10 GLY C C 10 174.705 173.989 0.716 1
1 20 . 8 1 1 A 10 10 GLY CA C 10 45.455 46.098 -0.643 1
1 21 . 8 1 1 A 10 10 GLY N N 10 111.487 115.009 -3.522 1
1 22 . 8 1 1 A 11 11 GLY H H 11 8.286 7.535 0.751 1
1 23 . 8 1 1 A 11 11 GLY HA2 H 11 3.958 4.171 -0.213 1
1 24 . 8 1 1 A 11 11 GLY HA3 H 11 3.958 4.172 -0.214 1
1 25 . 8 1 1 A 11 11 GLY C C 11 174.071 171.300 2.771 1
1 26 . 8 1 1 A 11 11 GLY CA C 11 45.101 46.130 -1.029 1
1 27 . 8 1 1 A 11 11 GLY N N 11 108.887 108.212 0.675 1
1 28 . 8 1 1 A 12 12 GLU H H 12 8.333 8.605 -0.272 1
1 29 . 8 1 1 A 12 12 GLU HA H 12 4.271 5.126 -0.855 1
1 34 . 8 1 1 A 12 12 GLU C C 12 176.435 174.689 1.746 1
1 35 . 8 1 1 A 12 12 GLU CA C 12 56.278 54.850 1.428 1
1 36 . 8 1 1 A 12 12 GLU CB C 12 30.358 33.381 -3.023 1
1 38 . 8 1 1 A 12 12 GLU N N 12 120.407 121.371 -0.964 1
1 39 . 8 1 1 A 13 13 GLU H H 13 8.546 8.686 -0.140 1
1 40 . 8 1 1 A 13 13 GLU HA H 13 4.521 4.864 -0.343 1
1 45 . 8 1 1 A 13 13 GLU C C 13 174.648 173.987 0.661 1
1 46 . 8 1 1 A 13 13 GLU CA C 13 54.687 53.101 1.586 1
1 47 . 8 1 1 A 13 13 GLU CB C 13 29.688 32.154 -2.466 1
1 49 . 8 1 1 A 13 13 GLU N N 13 123.832 124.629 -0.797 1
1 50 . 8 1 1 A 14 14 PRO HA H 14 4.375 4.736 -0.361 1
1 57 . 8 1 1 A 14 14 PRO C C 14 177.117 175.179 1.938 1
1 58 . 8 1 1 A 14 14 PRO CA C 14 63.379 62.953 0.426 1
1 59 . 8 1 1 A 14 14 PRO CB C 14 32.003 31.554 0.449 1
1 62 . 8 1 1 A 15 15 GLN H H 15 8.543 8.780 -0.237 1
1 63 . 8 1 1 A 15 15 GLN HA H 15 4.230 4.906 -0.676 1
1 70 . 8 1 1 A 15 15 GLN C C 15 176.459 174.123 2.336 1
1 71 . 8 1 1 A 15 15 GLN CA C 15 56.171 54.525 1.646 1
1 72 . 8 1 1 A 15 15 GLN CB C 15 28.935 32.586 -3.651 1
1 74 . 8 1 1 A 15 15 GLN N N 15 120.153 123.105 -2.952 1
1 76 . 8 1 1 A 16 16 ARG H H 16 8.337 8.823 -0.486 1
1 77 . 8 1 1 A 16 16 ARG HA H 16 4.219 4.939 -0.720 1
1 84 . 8 1 1 A 16 16 ARG C C 16 176.216 174.211 2.005 1
1 85 . 8 1 1 A 16 16 ARG CA C 16 56.809 54.469 2.340 1
1 86 . 8 1 1 A 16 16 ARG CB C 16 30.666 33.558 -2.892 1
1 89 . 8 1 1 A 16 16 ARG N N 16 122.090 122.076 0.014 1
1 90 . 8 1 1 A 17 17 ASP H H 17 8.313 8.925 -0.612 1
1 91 . 8 1 1 A 17 17 ASP HA H 17 4.523 4.627 -0.104 1
1 94 . 8 1 1 A 17 17 ASP C C 17 176.727 175.890 0.837 1
1 95 . 8 1 1 A 17 17 ASP CA C 17 54.591 54.334 0.257 1
1 96 . 8 1 1 A 17 17 ASP CB C 17 41.097 40.205 0.892 1
1 97 . 8 1 1 A 17 17 ASP N N 17 120.664 123.396 -2.732 1
1 98 . 8 1 1 A 18 18 LYS H H 18 8.276 8.391 -0.115 1
1 99 . 8 1 1 A 18 18 LYS HA H 18 4.175 4.370 -0.195 1
1 108 . 8 1 1 A 18 18 LYS C C 18 176.971 178.726 -1.755 1
1 109 . 8 1 1 A 18 18 LYS CA C 18 56.971 56.708 0.263 1
1 110 . 8 1 1 A 18 18 LYS CB C 18 32.562 33.359 -0.797 1
1 114 . 8 1 1 A 18 18 LYS N N 18 122.504 124.887 -2.383 1
1 115 . 8 1 1 A 19 19 ARG H H 19 8.240 7.889 0.351 1
1 116 . 8 1 1 A 19 19 ARG HA H 19 4.205 4.070 0.135 1
1 123 . 8 1 1 A 19 19 ARG C C 19 176.532 176.399 0.133 1
1 124 . 8 1 1 A 19 19 ARG CA C 19 56.632 58.563 -1.931 1
1 125 . 8 1 1 A 19 19 ARG CB C 19 30.647 29.266 1.381 1
1 128 . 8 1 1 A 19 19 ARG N N 19 120.296 119.150 1.146 1
1 129 . 8 1 1 A 20 20 LEU H H 20 8.068 7.946 0.122 1
1 130 . 8 1 1 A 20 20 LEU HA H 20 4.262 3.829 0.433 1
1 140 . 8 1 1 A 20 20 LEU C C 20 177.288 176.007 1.281 1
1 141 . 8 1 1 A 20 20 LEU CA C 20 55.110 56.091 -0.981 1
1 142 . 8 1 1 A 20 20 LEU CB C 20 42.081 40.754 1.327 1
1 146 . 8 1 1 A 20 20 LEU N N 20 121.867 117.551 4.316 1
1 147 . 8 1 1 A 21 21 ARG H H 21 8.226 7.837 0.389 1
1 148 . 8 1 1 A 21 21 ARG HA H 21 4.413 4.381 0.032 1
1 155 . 8 1 1 A 21 21 ARG C C 21 176.313 177.164 -0.851 1
1 156 . 8 1 1 A 21 21 ARG CA C 21 56.194 56.638 -0.444 1
1 157 . 8 1 1 A 21 21 ARG CB C 21 30.996 31.276 -0.280 1
1 160 . 8 1 1 A 21 21 ARG N N 21 121.612 118.898 2.714 1
1 161 . 8 1 1 A 22 22 THR H H 22 8.215 8.541 -0.326 1
1 162 . 8 1 1 A 22 22 THR HA H 22 4.405 4.240 0.165 1
1 167 . 8 1 1 A 22 22 THR C C 22 174.169 175.178 -1.009 1
1 168 . 8 1 1 A 22 22 THR CA C 22 61.963 65.628 -3.665 1
1 169 . 8 1 1 A 22 22 THR CB C 22 69.779 69.337 0.442 1
1 171 . 8 1 1 A 22 22 THR N N 22 114.661 115.590 -0.929 1
1 172 . 8 1 1 A 23 23 THR H H 23 8.087 7.496 0.591 1
1 173 . 8 1 1 A 23 23 THR HA H 23 4.308 4.281 0.027 1
1 178 . 8 1 1 A 23 23 THR C C 23 173.413 173.756 -0.343 1
1 179 . 8 1 1 A 23 23 THR CA C 23 62.158 62.349 -0.191 1
1 180 . 8 1 1 A 23 23 THR CB C 23 69.916 70.213 -0.297 1
1 182 . 8 1 1 A 23 23 THR N N 23 118.008 112.397 5.611 1
1 183 . 8 1 1 A 24 24 ILE H H 24 8.110 8.209 -0.099 1
1 184 . 8 1 1 A 24 24 ILE HA H 24 4.200 5.038 -0.838 1
1 194 . 8 1 1 A 24 24 ILE C C 24 176.654 175.801 0.853 1
1 195 . 8 1 1 A 24 24 ILE CA C 24 61.690 59.647 2.043 1
1 196 . 8 1 1 A 24 24 ILE CB C 24 39.487 41.262 -1.775 1
1 200 . 8 1 1 A 24 24 ILE N N 24 124.852 120.827 4.025 1
1 201 . 8 1 1 A 25 25 THR H H 25 9.023 8.419 0.604 1
1 202 . 8 1 1 A 25 25 THR HA H 25 4.564 4.975 -0.411 1
1 207 . 8 1 1 A 25 25 THR C C 25 173.433 174.296 -0.863 1
1 208 . 8 1 1 A 25 25 THR CA C 25 60.759 58.566 2.193 1
1 209 . 8 1 1 A 25 25 THR CB C 25 68.089 69.779 -1.690 1
1 211 . 8 1 1 A 25 25 THR N N 25 120.568 115.943 4.625 1
1 212 . 8 1 1 A 26 26 PRO HA H 26 4.172 4.569 -0.397 1
1 219 . 8 1 1 A 26 26 PRO C C 26 179.237 177.369 1.868 1
1 220 . 8 1 1 A 26 26 PRO CA C 26 65.917 64.510 1.407 1
1 221 . 8 1 1 A 26 26 PRO CB C 26 31.725 31.747 -0.022 1
1 224 . 8 1 1 A 27 27 GLU H H 27 8.722 8.477 0.245 1
1 225 . 8 1 1 A 27 27 GLU HA H 27 4.006 4.253 -0.247 1
1 230 . 8 1 1 A 27 27 GLU C C 27 179.749 178.492 1.257 1
1 231 . 8 1 1 A 27 27 GLU CA C 27 60.353 57.676 2.677 1
1 232 . 8 1 1 A 27 27 GLU CB C 27 28.851 29.993 -1.142 1
1 234 . 8 1 1 A 27 27 GLU N N 27 117.087 117.372 -0.285 1
1 235 . 8 1 1 A 28 28 GLN H H 28 7.666 7.955 -0.289 1
1 236 . 8 1 1 A 28 28 GLN HA H 28 3.767 4.095 -0.328 1
1 243 . 8 1 1 A 28 28 GLN C C 28 177.872 178.040 -0.168 1
1 244 . 8 1 1 A 28 28 GLN CA C 28 58.821 58.266 0.555 1
1 245 . 8 1 1 A 28 28 GLN CB C 28 29.401 28.666 0.735 1
1 247 . 8 1 1 A 28 28 GLN N N 28 119.298 119.725 -0.427 1
1 249 . 8 1 1 A 29 29 LEU H H 29 8.453 8.032 0.421 1
1 250 . 8 1 1 A 29 29 LEU HA H 29 3.484 3.566 -0.082 1
1 260 . 8 1 1 A 29 29 LEU C C 29 178.092 178.698 -0.606 1
1 261 . 8 1 1 A 29 29 LEU CA C 29 57.737 57.649 0.088 1
1 262 . 8 1 1 A 29 29 LEU CB C 29 41.578 41.619 -0.041 1
1 266 . 8 1 1 A 29 29 LEU N N 29 120.145 120.858 -0.713 1
1 267 . 8 1 1 A 30 30 GLU H H 30 7.607 8.370 -0.763 1
1 268 . 8 1 1 A 30 30 GLU HA H 30 4.069 4.113 -0.044 1
1 273 . 8 1 1 A 30 30 GLU C C 30 179.140 179.371 -0.231 1
1 274 . 8 1 1 A 30 30 GLU CA C 30 59.334 59.741 -0.407 1
1 275 . 8 1 1 A 30 30 GLU CB C 30 29.512 29.366 0.146 1
1 277 . 8 1 1 A 30 30 GLU N N 30 116.903 116.573 0.330 1
1 278 . 8 1 1 A 31 31 ILE H H 31 7.070 7.824 -0.754 1
1 279 . 8 1 1 A 31 31 ILE HA H 31 3.692 3.669 0.023 1
1 289 . 8 1 1 A 31 31 ILE C C 31 178.287 178.591 -0.304 1
1 290 . 8 1 1 A 31 31 ILE CA C 31 64.416 65.854 -1.438 1
1 291 . 8 1 1 A 31 31 ILE CB C 31 37.777 38.014 -0.237 1
1 295 . 8 1 1 A 31 31 ILE N N 31 118.947 120.846 -1.899 1
1 296 . 8 1 1 A 32 32 LEU H H 32 8.126 8.110 0.016 1
1 297 . 8 1 1 A 32 32 LEU HA H 32 3.418 3.820 -0.402 1
1 307 . 8 1 1 A 32 32 LEU C C 32 178.311 178.895 -0.584 1
1 308 . 8 1 1 A 32 32 LEU CA C 32 58.497 57.827 0.670 1
1 309 . 8 1 1 A 32 32 LEU CB C 32 38.146 41.171 -3.025 1
1 313 . 8 1 1 A 32 32 LEU N N 32 120.437 118.744 1.693 1
1 314 . 8 1 1 A 33 33 TYR H H 33 8.312 8.361 -0.049 1
1 315 . 8 1 1 A 33 33 TYR HA H 33 4.358 4.540 -0.182 1
1 322 . 8 1 1 A 33 33 TYR C C 33 178.214 178.541 -0.327 1
1 323 . 8 1 1 A 33 33 TYR CA C 33 62.645 61.073 1.572 1
1 324 . 8 1 1 A 33 33 TYR CB C 33 37.807 38.006 -0.199 1
1 329 . 8 1 1 A 33 33 TYR N N 33 117.248 118.105 -0.857 1
1 330 . 8 1 1 A 34 34 GLN H H 34 7.750 8.699 -0.949 1
1 331 . 8 1 1 A 34 34 GLN HA H 34 3.967 3.882 0.085 1
1 338 . 8 1 1 A 34 34 GLN C C 34 180.065 179.253 0.812 1
1 339 . 8 1 1 A 34 34 GLN CA C 34 59.143 59.515 -0.372 1
1 340 . 8 1 1 A 34 34 GLN CB C 34 27.781 28.958 -1.177 1
1 342 . 8 1 1 A 34 34 GLN N N 34 117.509 118.187 -0.678 1
1 344 . 8 1 1 A 35 35 LYS H H 35 8.381 8.130 0.251 1
1 345 . 8 1 1 A 35 35 LYS HA H 35 4.132 4.226 -0.094 1
1 354 . 8 1 1 A 35 35 LYS C C 35 179.456 178.817 0.639 1
1 355 . 8 1 1 A 35 35 LYS CA C 35 57.839 58.752 -0.913 1
1 356 . 8 1 1 A 35 35 LYS CB C 35 31.487 32.306 -0.819 1
1 360 . 8 1 1 A 35 35 LYS N N 35 117.671 120.171 -2.500 1
1 361 . 8 1 1 A 36 36 TYR H H 36 9.036 8.417 0.619 1
1 362 . 8 1 1 A 36 36 TYR HA H 36 4.164 4.856 -0.692 1
1 369 . 8 1 1 A 36 36 TYR C C 36 176.630 177.465 -0.835 1
1 370 . 8 1 1 A 36 36 TYR CA C 36 61.726 61.467 0.259 1
1 371 . 8 1 1 A 36 36 TYR CB C 36 38.579 38.369 0.210 1
1 376 . 8 1 1 A 36 36 TYR N N 36 124.434 123.125 1.309 1
1 377 . 8 1 1 A 37 37 LEU H H 37 7.848 9.030 -1.182 1
1 378 . 8 1 1 A 37 37 LEU HA H 37 3.918 3.858 0.060 1
1 388 . 8 1 1 A 37 37 LEU C C 37 179.334 179.429 -0.095 1
1 389 . 8 1 1 A 37 37 LEU CA C 37 56.827 58.090 -1.263 1
1 390 . 8 1 1 A 37 37 LEU CB C 37 42.069 41.759 0.310 1
1 394 . 8 1 1 A 37 37 LEU N N 37 116.192 120.075 -3.883 1
1 395 . 8 1 1 A 38 38 LEU H H 38 7.230 7.352 -0.122 1
1 396 . 8 1 1 A 38 38 LEU HA H 38 4.150 4.290 -0.140 1
1 406 . 8 1 1 A 38 38 LEU C C 38 178.116 176.151 1.965 1
1 407 . 8 1 1 A 38 38 LEU CA C 38 56.915 56.668 0.247 1
1 408 . 8 1 1 A 38 38 LEU CB C 38 42.336 42.348 -0.012 1
1 412 . 8 1 1 A 38 38 LEU N N 38 118.422 113.219 5.203 1
1 413 . 8 1 1 A 39 39 ASP H H 39 7.543 8.232 -0.689 1
1 414 . 8 1 1 A 39 39 ASP HA H 39 4.364 4.940 -0.576 1
1 417 . 8 1 1 A 39 39 ASP C C 39 174.778 175.869 -1.091 1
1 418 . 8 1 1 A 39 39 ASP CA C 39 54.731 52.969 1.762 1
1 419 . 8 1 1 A 39 39 ASP CB C 39 41.134 42.339 -1.205 1
1 420 . 8 1 1 A 39 39 ASP N N 39 117.417 120.082 -2.665 1
1 421 . 8 1 1 A 40 40 SER H H 40 8.240 8.698 -0.458 1
1 422 . 8 1 1 A 40 40 SER HA H 40 3.984 4.659 -0.675 1
1 425 . 8 1 1 A 40 40 SER C C 40 174.169 174.350 -0.181 1
1 426 . 8 1 1 A 40 40 SER CA C 40 58.825 58.696 0.129 1
1 427 . 8 1 1 A 40 40 SER CB C 40 63.964 63.811 0.153 1
1 428 . 8 1 1 A 40 40 SER N N 40 119.077 121.634 -2.557 1
1 429 . 8 1 1 A 41 41 ASN H H 41 8.711 7.858 0.853 1
1 430 . 8 1 1 A 41 41 ASN HA H 41 5.007 5.242 -0.235 1
1 435 . 8 1 1 A 41 41 ASN C C 41 171.078 172.364 -1.286 1
1 436 . 8 1 1 A 41 41 ASN CA C 41 51.291 50.885 0.406 1
1 437 . 8 1 1 A 41 41 ASN CB C 41 39.815 39.489 0.326 1
1 438 . 8 1 1 A 41 41 ASN N N 41 119.546 119.383 0.163 1
1 440 . 8 1 1 A 42 42 PRO HA H 42 4.408 4.659 -0.251 1
1 447 . 8 1 1 A 42 42 PRO C C 42 177.028 175.615 1.413 1
1 448 . 8 1 1 A 42 42 PRO CA C 42 62.678 62.417 0.261 1
1 449 . 8 1 1 A 42 42 PRO CB C 42 31.869 32.881 -1.012 1
1 452 . 8 1 1 A 43 43 THR H H 43 7.797 8.395 -0.598 1
1 453 . 8 1 1 A 43 43 THR HA H 43 4.205 4.728 -0.523 1
1 458 . 8 1 1 A 43 43 THR C C 43 174.729 175.384 -0.655 1
1 459 . 8 1 1 A 43 43 THR CA C 43 60.690 59.736 0.954 1
1 460 . 8 1 1 A 43 43 THR CB C 43 71.138 70.948 0.190 1
1 462 . 8 1 1 A 43 43 THR N N 43 111.399 116.193 -4.794 1
1 463 . 8 1 1 A 44 44 ARG H H 44 8.718 9.063 -0.345 1
1 464 . 8 1 1 A 44 44 ARG HA H 44 3.863 3.908 -0.045 1
1 471 . 8 1 1 A 44 44 ARG C C 44 178.384 178.553 -0.169 1
1 472 . 8 1 1 A 44 44 ARG CA C 44 60.014 59.904 0.110 1
1 473 . 8 1 1 A 44 44 ARG CB C 44 29.512 29.877 -0.365 1
1 476 . 8 1 1 A 44 44 ARG N N 44 120.640 127.597 -6.957 1
1 477 . 8 1 1 A 45 45 LYS H H 45 8.142 7.894 0.248 1
1 478 . 8 1 1 A 45 45 LYS HA H 45 4.070 4.043 0.027 1
1 487 . 8 1 1 A 45 45 LYS C C 45 179.334 178.902 0.432 1
1 488 . 8 1 1 A 45 45 LYS CA C 45 59.170 59.351 -0.181 1
1 489 . 8 1 1 A 45 45 LYS CB C 45 32.457 32.256 0.201 1
1 493 . 8 1 1 A 45 45 LYS N N 45 117.851 119.713 -1.862 1
1 494 . 8 1 1 A 46 46 MET H H 46 7.560 8.278 -0.718 1
1 495 . 8 1 1 A 46 46 MET HA H 46 4.329 4.136 0.193 1
1 503 . 8 1 1 A 46 46 MET C C 46 178.774 178.824 -0.050 1
1 504 . 8 1 1 A 46 46 MET CA C 46 57.799 58.717 -0.918 1
1 505 . 8 1 1 A 46 46 MET CB C 46 32.210 32.803 -0.593 1
1 508 . 8 1 1 A 46 46 MET N N 46 119.433 118.302 1.131 1
1 509 . 8 1 1 A 47 47 LEU H H 47 8.624 8.209 0.415 1
1 510 . 8 1 1 A 47 47 LEU HA H 47 3.758 3.790 -0.032 1
1 520 . 8 1 1 A 47 47 LEU C C 47 178.701 178.891 -0.190 1
1 521 . 8 1 1 A 47 47 LEU CA C 47 58.648 58.036 0.612 1
1 522 . 8 1 1 A 47 47 LEU CB C 47 42.248 41.413 0.835 1
1 526 . 8 1 1 A 47 47 LEU N N 47 120.980 119.524 1.456 1
1 527 . 8 1 1 A 48 48 ASP H H 48 7.891 8.313 -0.422 1
1 528 . 8 1 1 A 48 48 ASP HA H 48 4.275 4.339 -0.064 1
1 531 . 8 1 1 A 48 48 ASP C C 48 178.798 178.187 0.611 1
1 532 . 8 1 1 A 48 48 ASP CA C 48 57.662 57.371 0.291 1
1 533 . 8 1 1 A 48 48 ASP CB C 48 40.347 41.355 -1.008 1
1 534 . 8 1 1 A 48 48 ASP N N 48 119.025 119.766 -0.741 1
1 535 . 8 1 1 A 49 49 HIS H H 49 7.760 7.900 -0.140 1
1 536 . 8 1 1 A 49 49 HIS HA H 49 4.390 4.270 0.120 1
1 540 . 8 1 1 A 49 49 HIS C C 49 178.287 177.078 1.209 1
1 541 . 8 1 1 A 49 49 HIS CA C 49 59.930 60.028 -0.098 1
1 542 . 8 1 1 A 49 49 HIS CB C 49 30.348 30.125 0.223 1
1 544 . 8 1 1 A 49 49 HIS N N 49 120.629 118.999 1.630 1
1 545 . 8 1 1 A 50 50 ILE H H 50 8.934 8.567 0.367 1
1 546 . 8 1 1 A 50 50 ILE HA H 50 3.619 3.671 -0.052 1
1 556 . 8 1 1 A 50 50 ILE C C 50 177.410 178.266 -0.856 1
1 557 . 8 1 1 A 50 50 ILE CA C 50 65.779 65.710 0.069 1
1 558 . 8 1 1 A 50 50 ILE CB C 50 38.622 37.725 0.897 1
1 562 . 8 1 1 A 50 50 ILE N N 50 120.913 120.208 0.705 1
1 563 . 8 1 1 A 51 51 ALA H H 51 8.423 8.025 0.398 1
1 564 . 8 1 1 A 51 51 ALA HA H 51 3.859 4.113 -0.254 1
1 568 . 8 1 1 A 51 51 ALA C C 51 179.213 179.650 -0.437 1
1 569 . 8 1 1 A 51 51 ALA CA C 51 56.348 54.841 1.507 1
1 570 . 8 1 1 A 51 51 ALA CB C 51 17.292 18.061 -0.769 1
1 571 . 8 1 1 A 51 51 ALA N N 51 120.695 120.916 -0.221 1
1 572 . 8 1 1 A 52 52 HIS H H 52 7.735 8.142 -0.407 1
1 573 . 8 1 1 A 52 52 HIS HA H 52 4.273 4.160 0.113 1
1 577 . 8 1 1 A 52 52 HIS C C 52 177.799 177.172 0.627 1
1 578 . 8 1 1 A 52 52 HIS CA C 52 59.406 59.583 -0.177 1
1 579 . 8 1 1 A 52 52 HIS CB C 52 29.842 29.753 0.089 1
1 581 . 8 1 1 A 52 52 HIS N N 52 115.822 117.927 -2.105 1
1 582 . 8 1 1 A 53 53 GLU H H 53 8.299 8.419 -0.120 1
1 583 . 8 1 1 A 53 53 GLU HA H 53 3.842 4.043 -0.201 1
1 588 . 8 1 1 A 53 53 GLU C C 53 178.652 178.295 0.357 1
1 589 . 8 1 1 A 53 53 GLU CA C 53 59.434 59.386 0.048 1
1 590 . 8 1 1 A 53 53 GLU CB C 53 30.204 29.094 1.110 1
1 592 . 8 1 1 A 53 53 GLU N N 53 120.073 117.904 2.169 1
1 593 . 8 1 1 A 54 54 VAL H H 54 8.446 7.835 0.611 1
1 594 . 8 1 1 A 54 54 VAL HA H 54 4.150 4.017 0.133 1
1 602 . 8 1 1 A 54 54 VAL C C 54 175.899 176.922 -1.023 1
1 603 . 8 1 1 A 54 54 VAL CA C 54 62.001 64.280 -2.279 1
1 604 . 8 1 1 A 54 54 VAL CB C 54 33.000 31.844 1.156 1
1 607 . 8 1 1 A 54 54 VAL N N 54 112.194 118.615 -6.421 1
1 608 . 8 1 1 A 55 55 GLY H H 55 7.879 8.314 -0.435 1
1 609 . 8 1 1 A 55 55 GLY HA2 H 55 3.975 3.878 0.097 1
1 610 . 8 1 1 A 55 55 GLY HA3 H 55 3.814 3.915 -0.101 1
1 611 . 8 1 1 A 55 55 GLY C C 55 174.461 173.944 0.517 1
1 612 . 8 1 1 A 55 55 GLY CA C 55 46.551 46.358 0.193 1
1 613 . 8 1 1 A 55 55 GLY N N 55 111.306 109.488 1.818 1
1 614 . 8 1 1 A 56 56 LEU H H 56 7.766 7.520 0.246 1
1 615 . 8 1 1 A 56 56 LEU HA H 56 4.825 4.851 -0.026 1
1 625 . 8 1 1 A 56 56 LEU C C 56 175.704 175.452 0.252 1
1 626 . 8 1 1 A 56 56 LEU CA C 56 52.223 53.502 -1.279 1
1 627 . 8 1 1 A 56 56 LEU CB C 56 47.913 46.026 1.887 1
1 631 . 8 1 1 A 56 56 LEU N N 56 119.685 120.999 -1.314 1
1 632 . 8 1 1 A 57 57 LYS H H 57 8.268 8.441 -0.173 1
1 633 . 8 1 1 A 57 57 LYS HA H 57 4.212 4.161 0.051 1
1 642 . 8 1 1 A 57 57 LYS C C 57 178.555 177.650 0.905 1
1 643 . 8 1 1 A 57 57 LYS CA C 57 56.375 57.254 -0.879 1
1 644 . 8 1 1 A 57 57 LYS CB C 57 32.750 32.391 0.359 1
1 648 . 8 1 1 A 57 57 LYS N N 57 118.380 124.768 -6.388 1
1 649 . 8 1 1 A 58 58 LYS H H 58 8.853 9.001 -0.148 1
1 650 . 8 1 1 A 58 58 LYS HA H 58 3.670 3.835 -0.165 1
1 659 . 8 1 1 A 58 58 LYS C C 58 178.652 178.306 0.346 1
1 660 . 8 1 1 A 58 58 LYS CA C 58 61.026 60.615 0.411 1
1 661 . 8 1 1 A 58 58 LYS CB C 58 31.655 32.369 -0.714 1
1 665 . 8 1 1 A 58 58 LYS N N 58 123.883 126.104 -2.221 1
1 666 . 8 1 1 A 59 59 ARG H H 59 8.834 7.766 1.068 1
1 667 . 8 1 1 A 59 59 ARG HA H 59 4.120 4.098 0.022 1
1 674 . 8 1 1 A 59 59 ARG C C 59 177.872 178.811 -0.939 1
1 675 . 8 1 1 A 59 59 ARG CA C 59 58.851 58.881 -0.030 1
1 676 . 8 1 1 A 59 59 ARG CB C 59 29.832 30.027 -0.195 1
1 679 . 8 1 1 A 59 59 ARG N N 59 117.315 119.154 -1.839 1
1 680 . 8 1 1 A 60 60 VAL H H 60 6.892 8.064 -1.172 1
1 681 . 8 1 1 A 60 60 VAL HA H 60 3.677 3.759 -0.082 1
1 689 . 8 1 1 A 60 60 VAL C C 60 178.701 178.549 0.152 1
1 690 . 8 1 1 A 60 60 VAL CA C 60 65.741 66.077 -0.336 1
1 691 . 8 1 1 A 60 60 VAL CB C 60 31.520 31.651 -0.131 1
1 694 . 8 1 1 A 60 60 VAL N N 60 117.560 119.799 -2.239 1
1 695 . 8 1 1 A 61 61 VAL H H 61 7.394 8.177 -0.783 1
1 696 . 8 1 1 A 61 61 VAL HA H 61 3.647 3.658 -0.011 1
1 704 . 8 1 1 A 61 61 VAL C C 61 177.385 178.201 -0.816 1
1 705 . 8 1 1 A 61 61 VAL CA C 61 67.232 66.709 0.523 1
1 706 . 8 1 1 A 61 61 VAL CB C 61 32.125 31.564 0.561 1
1 709 . 8 1 1 A 61 61 VAL N N 61 119.625 121.051 -1.426 1
1 710 . 8 1 1 A 62 62 GLN H H 62 8.681 8.432 0.249 1
1 711 . 8 1 1 A 62 62 GLN HA H 62 4.047 4.061 -0.014 1
1 718 . 8 1 1 A 62 62 GLN C C 62 178.798 178.426 0.372 1
1 719 . 8 1 1 A 62 62 GLN CA C 62 60.169 58.915 1.254 1
1 720 . 8 1 1 A 62 62 GLN CB C 62 28.935 28.859 0.076 1
1 722 . 8 1 1 A 62 62 GLN N N 62 119.803 120.434 -0.631 1
1 724 . 8 1 1 A 63 63 VAL H H 63 8.279 8.493 -0.214 1
1 725 . 8 1 1 A 63 63 VAL HA H 63 3.703 3.658 0.045 1
1 733 . 8 1 1 A 63 63 VAL C C 63 177.263 178.356 -1.093 1
1 734 . 8 1 1 A 63 63 VAL CA C 63 66.384 66.540 -0.156 1
1 735 . 8 1 1 A 63 63 VAL CB C 63 31.983 31.625 0.358 1
1 738 . 8 1 1 A 63 63 VAL N N 63 120.104 119.431 0.673 1
1 739 . 8 1 1 A 64 64 TRP H H 64 8.376 8.120 0.256 1
1 740 . 8 1 1 A 64 64 TRP HA H 64 4.015 4.153 -0.138 1
1 749 . 8 1 1 A 64 64 TRP C C 64 180.309 178.445 1.864 1
1 750 . 8 1 1 A 64 64 TRP CA C 64 63.421 61.261 2.160 1
1 751 . 8 1 1 A 64 64 TRP CB C 64 28.382 29.651 -1.269 1
1 757 . 8 1 1 A 64 64 TRP N N 64 122.121 121.611 0.510 1
1 759 . 8 1 1 A 65 65 PHE H H 65 9.032 8.122 0.910 1
1 760 . 8 1 1 A 65 65 PHE HA H 65 3.662 3.957 -0.295 1
1 768 . 8 1 1 A 65 65 PHE C C 65 178.214 178.310 -0.096 1
1 769 . 8 1 1 A 65 65 PHE CA C 65 63.919 62.392 1.527 1
1 770 . 8 1 1 A 65 65 PHE CB C 65 39.512 38.806 0.706 1
1 776 . 8 1 1 A 65 65 PHE N N 65 120.975 118.314 2.661 1
1 777 . 8 1 1 A 66 66 GLN H H 66 8.021 8.354 -0.333 1
1 778 . 8 1 1 A 66 66 GLN HA H 66 3.957 3.877 0.080 1
1 785 . 8 1 1 A 66 66 GLN C C 66 179.066 179.249 -0.183 1
1 786 . 8 1 1 A 66 66 GLN CA C 66 59.426 59.343 0.083 1
1 787 . 8 1 1 A 66 66 GLN CB C 66 28.536 28.393 0.143 1
1 789 . 8 1 1 A 66 66 GLN N N 66 117.887 117.689 0.198 1
1 791 . 8 1 1 A 67 67 ASN H H 67 8.807 8.076 0.731 1
1 792 . 8 1 1 A 67 67 ASN HA H 67 4.331 4.365 -0.034 1
1 797 . 8 1 1 A 67 67 ASN C C 67 177.775 177.702 0.073 1
1 798 . 8 1 1 A 67 67 ASN CA C 67 55.461 56.039 -0.578 1
1 799 . 8 1 1 A 67 67 ASN CB C 67 37.718 37.962 -0.244 1
1 800 . 8 1 1 A 67 67 ASN N N 67 119.312 118.056 1.256 1
1 802 . 8 1 1 A 68 68 THR H H 68 8.092 7.402 0.690 1
1 803 . 8 1 1 A 68 68 THR HA H 68 3.262 3.409 -0.147 1
1 808 . 8 1 1 A 68 68 THR C C 68 175.972 176.205 -0.233 1
1 809 . 8 1 1 A 68 68 THR CA C 68 66.903 66.869 0.034 1
1 810 . 8 1 1 A 68 68 THR CB C 68 67.800 67.705 0.095 1
1 812 . 8 1 1 A 68 68 THR N N 68 120.500 116.745 3.755 1
1 813 . 8 1 1 A 69 69 ARG H H 69 8.154 8.009 0.145 1
1 814 . 8 1 1 A 69 69 ARG HA H 69 4.362 4.205 0.157 1
1 821 . 8 1 1 A 69 69 ARG C C 69 179.432 178.732 0.700 1
1 822 . 8 1 1 A 69 69 ARG CA C 69 59.805 59.799 0.006 1
1 823 . 8 1 1 A 69 69 ARG CB C 69 31.490 30.415 1.075 1
1 826 . 8 1 1 A 69 69 ARG N N 69 121.451 119.966 1.485 1
1 827 . 8 1 1 A 70 70 ALA H H 70 7.686 8.410 -0.724 1
1 828 . 8 1 1 A 70 70 ALA HA H 70 4.107 4.071 0.036 1
1 832 . 8 1 1 A 70 70 ALA C C 70 179.724 180.163 -0.439 1
1 833 . 8 1 1 A 70 70 ALA CA C 70 54.512 54.826 -0.314 1
1 834 . 8 1 1 A 70 70 ALA CB C 70 18.187 18.533 -0.346 1
1 835 . 8 1 1 A 70 70 ALA N N 70 119.887 121.701 -1.814 1
1 836 . 8 1 1 A 71 71 ARG H H 71 7.588 7.674 -0.086 1
1 837 . 8 1 1 A 71 71 ARG HA H 71 4.073 4.056 0.017 1
1 844 . 8 1 1 A 71 71 ARG C C 71 177.775 179.173 -1.398 1
1 845 . 8 1 1 A 71 71 ARG CA C 71 57.849 59.583 -1.734 1
1 846 . 8 1 1 A 71 71 ARG CB C 71 30.419 30.283 0.136 1
1 849 . 8 1 1 A 71 71 ARG N N 71 117.554 117.363 0.191 1
1 850 . 8 1 1 A 72 72 GLU H H 72 7.776 8.575 -0.799 1
1 851 . 8 1 1 A 72 72 GLU HA H 72 4.129 4.021 0.108 1
1 856 . 8 1 1 A 72 72 GLU C C 72 177.190 179.160 -1.970 1
1 857 . 8 1 1 A 72 72 GLU CA C 72 57.625 59.323 -1.698 1
1 858 . 8 1 1 A 72 72 GLU CB C 72 29.815 29.396 0.419 1
1 860 . 8 1 1 A 72 72 GLU N N 72 119.019 119.514 -0.495 1
1 861 . 8 1 1 A 73 73 ARG H H 73 7.956 8.680 -0.724 1
1 862 . 8 1 1 A 73 73 ARG HA H 73 4.228 4.139 0.089 1
1 869 . 8 1 1 A 73 73 ARG C C 73 176.581 176.435 0.146 1
1 870 . 8 1 1 A 73 73 ARG CA C 73 56.773 59.030 -2.257 1
1 871 . 8 1 1 A 73 73 ARG CB C 73 30.254 29.823 0.431 1
1 874 . 8 1 1 A 73 73 ARG N N 73 119.948 118.215 1.733 1
1 875 . 8 1 1 A 74 74 LYS H H 74 8.155 7.669 0.486 1
1 876 . 8 1 1 A 74 74 LYS HA H 74 4.329 4.190 0.139 1
1 885 . 8 1 1 A 74 74 LYS C C 74 176.703 175.759 0.944 1
1 886 . 8 1 1 A 74 74 LYS CA C 74 56.458 56.502 -0.044 1
1 887 . 8 1 1 A 74 74 LYS CB C 74 32.825 33.090 -0.265 1
1 891 . 8 1 1 A 74 74 LYS N N 74 121.577 121.832 -0.255 1
1 892 . 8 1 1 A 75 75 SER H H 75 8.246 8.372 -0.126 1
1 893 . 8 1 1 A 75 75 SER HA H 75 4.474 5.011 -0.537 1
1 896 . 8 1 1 A 75 75 SER C C 75 174.486 174.202 0.284 1
1 897 . 8 1 1 A 75 75 SER CA C 75 58.365 57.188 1.177 1
1 898 . 8 1 1 A 75 75 SER CB C 75 63.967 64.694 -0.727 1
1 899 . 8 1 1 A 75 75 SER N N 75 116.340 117.488 -1.148 1
1 900 . 8 1 1 A 76 76 GLY H H 76 8.205 8.137 0.068 1
1 901 . 8 1 1 A 76 76 GLY HA2 H 76 4.118 4.147 -0.029 1
1 902 . 8 1 1 A 76 76 GLY HA3 H 76 4.118 4.149 -0.031 1
1 903 . 8 1 1 A 76 76 GLY C C 76 171.758 171.456 0.302 1
1 904 . 8 1 1 A 76 76 GLY CA C 76 44.661 45.612 -0.951 1
1 905 . 8 1 1 A 76 76 GLY N N 76 110.555 108.478 2.077 1
1 906 . 8 1 1 A 77 77 PRO HA H 77 4.450 4.810 -0.360 1
1 913 . 8 1 1 A 77 77 PRO C C 77 177.458 175.153 2.305 1
1 914 . 8 1 1 A 77 77 PRO CA C 77 63.249 62.917 0.332 1
1 915 . 8 1 1 A 77 77 PRO CB C 77 32.180 31.614 0.566 1
1 918 . 8 1 1 A 78 78 SER H H 78 8.525 9.018 -0.493 1
1 919 . 8 1 1 A 78 78 SER HA H 78 4.471 4.897 -0.426 1
1 922 . 8 1 1 A 78 78 SER C C 78 174.648 172.706 1.942 1
1 923 . 8 1 1 A 78 78 SER CA C 78 58.460 57.093 1.367 1
1 924 . 8 1 1 A 78 78 SER CB C 78 63.885 64.855 -0.970 1
1 925 . 8 1 1 A 78 78 SER N N 78 116.381 118.375 -1.994 1
1 926 . 8 1 1 A 79 79 SER H H 79 8.309 8.579 -0.270 1
1 927 . 8 1 1 A 79 79 SER HA H 79 4.457 4.885 -0.428 1
1 930 . 8 1 1 A 79 79 SER C C 79 173.925 174.353 -0.428 1
1 931 . 8 1 1 A 79 79 SER CA C 79 58.401 57.565 0.836 1
1 932 . 8 1 1 A 79 79 SER CB C 79 64.132 63.739 0.393 1
1 933 . 8 1 1 A 79 79 SER N N 79 117.741 118.931 -1.190 1
1 1 . 9 1 1 A 8 8 GLY HA2 H 8 4.031 4.161 -0.130 1
1 2 . 9 1 1 A 8 8 GLY HA3 H 8 4.031 4.162 -0.131 1
1 3 . 9 1 1 A 8 8 GLY C C 8 174.729 173.027 1.702 1
1 4 . 9 1 1 A 8 8 GLY CA C 8 45.278 44.896 0.382 1
1 5 . 9 1 1 A 9 9 THR H H 9 8.248 8.630 -0.382 1
1 6 . 9 1 1 A 9 9 THR HA H 9 4.376 4.025 0.351 1
1 11 . 9 1 1 A 9 9 THR C C 9 175.485 175.324 0.161 1
1 12 . 9 1 1 A 9 9 THR CA C 9 61.837 64.678 -2.841 1
1 13 . 9 1 1 A 9 9 THR CB C 9 69.737 68.511 1.226 1
1 15 . 9 1 1 A 9 9 THR N N 9 112.908 121.269 -8.361 1
1 16 . 9 1 1 A 10 10 GLY H H 10 8.581 8.600 -0.019 1
1 17 . 9 1 1 A 10 10 GLY HA2 H 10 3.985 3.990 -0.005 1
1 18 . 9 1 1 A 10 10 GLY HA3 H 10 3.985 3.993 -0.008 1
1 19 . 9 1 1 A 10 10 GLY C C 10 174.705 174.056 0.649 1
1 20 . 9 1 1 A 10 10 GLY CA C 10 45.455 44.849 0.606 1
1 21 . 9 1 1 A 10 10 GLY N N 10 111.487 112.853 -1.366 1
1 22 . 9 1 1 A 11 11 GLY H H 11 8.286 8.305 -0.019 1
1 23 . 9 1 1 A 11 11 GLY HA2 H 11 3.958 4.068 -0.110 1
1 24 . 9 1 1 A 11 11 GLY HA3 H 11 3.958 4.071 -0.113 1
1 25 . 9 1 1 A 11 11 GLY C C 11 174.071 174.774 -0.703 1
1 26 . 9 1 1 A 11 11 GLY CA C 11 45.101 44.448 0.653 1
1 27 . 9 1 1 A 11 11 GLY N N 11 108.887 107.995 0.892 1
1 28 . 9 1 1 A 12 12 GLU H H 12 8.333 8.304 0.029 1
1 29 . 9 1 1 A 12 12 GLU HA H 12 4.271 4.623 -0.352 1
1 34 . 9 1 1 A 12 12 GLU C C 12 176.435 176.867 -0.432 1
1 35 . 9 1 1 A 12 12 GLU CA C 12 56.278 55.099 1.179 1
1 36 . 9 1 1 A 12 12 GLU CB C 12 30.358 29.240 1.118 1
1 38 . 9 1 1 A 12 12 GLU N N 12 120.407 117.380 3.027 1
1 39 . 9 1 1 A 13 13 GLU H H 13 8.546 7.639 0.907 1
1 40 . 9 1 1 A 13 13 GLU HA H 13 4.521 4.440 0.081 1
1 45 . 9 1 1 A 13 13 GLU C C 13 174.648 174.753 -0.105 1
1 46 . 9 1 1 A 13 13 GLU CA C 13 54.687 55.101 -0.414 1
1 47 . 9 1 1 A 13 13 GLU CB C 13 29.688 28.997 0.691 1
1 49 . 9 1 1 A 13 13 GLU N N 13 123.832 120.887 2.945 1
1 50 . 9 1 1 A 14 14 PRO HA H 14 4.375 4.609 -0.234 1
1 57 . 9 1 1 A 14 14 PRO C C 14 177.117 177.738 -0.621 1
1 58 . 9 1 1 A 14 14 PRO CA C 14 63.379 62.799 0.580 1
1 59 . 9 1 1 A 14 14 PRO CB C 14 32.003 31.981 0.022 1
1 62 . 9 1 1 A 15 15 GLN H H 15 8.543 8.931 -0.388 1
1 63 . 9 1 1 A 15 15 GLN HA H 15 4.230 3.931 0.299 1
1 70 . 9 1 1 A 15 15 GLN C C 15 176.459 176.686 -0.227 1
1 71 . 9 1 1 A 15 15 GLN CA C 15 56.171 59.177 -3.006 1
1 72 . 9 1 1 A 15 15 GLN CB C 15 28.935 28.906 0.029 1
1 74 . 9 1 1 A 15 15 GLN N N 15 120.153 123.461 -3.308 1
1 76 . 9 1 1 A 16 16 ARG H H 16 8.337 7.701 0.636 1
1 77 . 9 1 1 A 16 16 ARG HA H 16 4.219 4.381 -0.162 1
1 84 . 9 1 1 A 16 16 ARG C C 16 176.216 174.219 1.997 1
1 85 . 9 1 1 A 16 16 ARG CA C 16 56.809 55.494 1.315 1
1 86 . 9 1 1 A 16 16 ARG CB C 16 30.666 30.104 0.562 1
1 89 . 9 1 1 A 16 16 ARG N N 16 122.090 119.370 2.720 1
1 90 . 9 1 1 A 17 17 ASP H H 17 8.313 8.263 0.050 1
1 91 . 9 1 1 A 17 17 ASP HA H 17 4.523 4.601 -0.078 1
1 94 . 9 1 1 A 17 17 ASP C C 17 176.727 175.662 1.065 1
1 95 . 9 1 1 A 17 17 ASP CA C 17 54.591 54.179 0.412 1
1 96 . 9 1 1 A 17 17 ASP CB C 17 41.097 41.369 -0.272 1
1 97 . 9 1 1 A 17 17 ASP N N 17 120.664 127.069 -6.405 1
1 98 . 9 1 1 A 18 18 LYS H H 18 8.276 8.791 -0.515 1
1 99 . 9 1 1 A 18 18 LYS HA H 18 4.175 4.455 -0.280 1
1 108 . 9 1 1 A 18 18 LYS C C 18 176.971 176.750 0.221 1
1 109 . 9 1 1 A 18 18 LYS CA C 18 56.971 56.945 0.026 1
1 110 . 9 1 1 A 18 18 LYS CB C 18 32.562 33.699 -1.137 1
1 114 . 9 1 1 A 18 18 LYS N N 18 122.504 122.857 -0.353 1
1 115 . 9 1 1 A 19 19 ARG H H 19 8.240 7.587 0.653 1
1 116 . 9 1 1 A 19 19 ARG HA H 19 4.205 4.839 -0.634 1
1 123 . 9 1 1 A 19 19 ARG C C 19 176.532 175.022 1.510 1
1 124 . 9 1 1 A 19 19 ARG CA C 19 56.632 54.924 1.708 1
1 125 . 9 1 1 A 19 19 ARG CB C 19 30.647 32.608 -1.961 1
1 128 . 9 1 1 A 19 19 ARG N N 19 120.296 119.946 0.350 1
1 129 . 9 1 1 A 20 20 LEU H H 20 8.068 8.912 -0.844 1
1 130 . 9 1 1 A 20 20 LEU HA H 20 4.262 5.096 -0.834 1
1 140 . 9 1 1 A 20 20 LEU C C 20 177.288 175.566 1.722 1
1 141 . 9 1 1 A 20 20 LEU CA C 20 55.110 53.171 1.939 1
1 142 . 9 1 1 A 20 20 LEU CB C 20 42.081 45.388 -3.307 1
1 146 . 9 1 1 A 20 20 LEU N N 20 121.867 125.781 -3.914 1
1 147 . 9 1 1 A 21 21 ARG H H 21 8.226 8.729 -0.503 1
1 148 . 9 1 1 A 21 21 ARG HA H 21 4.413 4.656 -0.243 1
1 155 . 9 1 1 A 21 21 ARG C C 21 176.313 176.943 -0.630 1
1 156 . 9 1 1 A 21 21 ARG CA C 21 56.194 54.770 1.424 1
1 157 . 9 1 1 A 21 21 ARG CB C 21 30.996 32.441 -1.445 1
1 160 . 9 1 1 A 21 21 ARG N N 21 121.612 122.529 -0.917 1
1 161 . 9 1 1 A 22 22 THR H H 22 8.215 8.844 -0.629 1
1 162 . 9 1 1 A 22 22 THR HA H 22 4.405 3.950 0.455 1
1 167 . 9 1 1 A 22 22 THR C C 22 174.169 175.353 -1.184 1
1 168 . 9 1 1 A 22 22 THR CA C 22 61.963 66.825 -4.862 1
1 169 . 9 1 1 A 22 22 THR CB C 22 69.779 69.162 0.617 1
1 171 . 9 1 1 A 22 22 THR N N 22 114.661 117.077 -2.416 1
1 172 . 9 1 1 A 23 23 THR H H 23 8.087 7.495 0.592 1
1 173 . 9 1 1 A 23 23 THR HA H 23 4.308 4.250 0.058 1
1 178 . 9 1 1 A 23 23 THR C C 23 173.413 173.758 -0.345 1
1 179 . 9 1 1 A 23 23 THR CA C 23 62.158 62.260 -0.102 1
1 180 . 9 1 1 A 23 23 THR CB C 23 69.916 70.342 -0.426 1
1 182 . 9 1 1 A 23 23 THR N N 23 118.008 112.324 5.684 1
1 183 . 9 1 1 A 24 24 ILE H H 24 8.110 8.387 -0.277 1
1 184 . 9 1 1 A 24 24 ILE HA H 24 4.200 5.024 -0.824 1
1 194 . 9 1 1 A 24 24 ILE C C 24 176.654 175.782 0.872 1
1 195 . 9 1 1 A 24 24 ILE CA C 24 61.690 59.656 2.034 1
1 196 . 9 1 1 A 24 24 ILE CB C 24 39.487 41.424 -1.937 1
1 200 . 9 1 1 A 24 24 ILE N N 24 124.852 120.998 3.854 1
1 201 . 9 1 1 A 25 25 THR H H 25 9.023 8.461 0.562 1
1 202 . 9 1 1 A 25 25 THR HA H 25 4.564 4.978 -0.414 1
1 207 . 9 1 1 A 25 25 THR C C 25 173.433 174.309 -0.876 1
1 208 . 9 1 1 A 25 25 THR CA C 25 60.759 58.598 2.161 1
1 209 . 9 1 1 A 25 25 THR CB C 25 68.089 69.842 -1.753 1
1 211 . 9 1 1 A 25 25 THR N N 25 120.568 115.884 4.684 1
1 212 . 9 1 1 A 26 26 PRO HA H 26 4.172 4.558 -0.386 1
1 219 . 9 1 1 A 26 26 PRO C C 26 179.237 177.388 1.849 1
1 220 . 9 1 1 A 26 26 PRO CA C 26 65.917 64.571 1.346 1
1 221 . 9 1 1 A 26 26 PRO CB C 26 31.725 31.733 -0.008 1
1 224 . 9 1 1 A 27 27 GLU H H 27 8.722 8.507 0.215 1
1 225 . 9 1 1 A 27 27 GLU HA H 27 4.006 4.230 -0.224 1
1 230 . 9 1 1 A 27 27 GLU C C 27 179.749 178.228 1.521 1
1 231 . 9 1 1 A 27 27 GLU CA C 27 60.353 57.652 2.701 1
1 232 . 9 1 1 A 27 27 GLU CB C 27 28.851 29.956 -1.105 1
1 234 . 9 1 1 A 27 27 GLU N N 27 117.087 117.341 -0.254 1
1 235 . 9 1 1 A 28 28 GLN H H 28 7.666 8.007 -0.341 1
1 236 . 9 1 1 A 28 28 GLN HA H 28 3.767 4.123 -0.356 1
1 243 . 9 1 1 A 28 28 GLN C C 28 177.872 178.031 -0.159 1
1 244 . 9 1 1 A 28 28 GLN CA C 28 58.821 58.280 0.541 1
1 245 . 9 1 1 A 28 28 GLN CB C 28 29.401 28.821 0.580 1
1 247 . 9 1 1 A 28 28 GLN N N 28 119.298 119.576 -0.278 1
1 249 . 9 1 1 A 29 29 LEU H H 29 8.453 8.021 0.432 1
1 250 . 9 1 1 A 29 29 LEU HA H 29 3.484 3.513 -0.029 1
1 260 . 9 1 1 A 29 29 LEU C C 29 178.092 178.751 -0.659 1
1 261 . 9 1 1 A 29 29 LEU CA C 29 57.737 57.673 0.064 1
1 262 . 9 1 1 A 29 29 LEU CB C 29 41.578 41.559 0.019 1
1 266 . 9 1 1 A 29 29 LEU N N 29 120.145 120.652 -0.507 1
1 267 . 9 1 1 A 30 30 GLU H H 30 7.607 8.305 -0.698 1
1 268 . 9 1 1 A 30 30 GLU HA H 30 4.069 4.110 -0.041 1
1 273 . 9 1 1 A 30 30 GLU C C 30 179.140 179.338 -0.198 1
1 274 . 9 1 1 A 30 30 GLU CA C 30 59.334 59.685 -0.351 1
1 275 . 9 1 1 A 30 30 GLU CB C 30 29.512 29.496 0.016 1
1 277 . 9 1 1 A 30 30 GLU N N 30 116.903 116.523 0.380 1
1 278 . 9 1 1 A 31 31 ILE H H 31 7.070 7.765 -0.695 1
1 279 . 9 1 1 A 31 31 ILE HA H 31 3.692 3.705 -0.013 1
1 289 . 9 1 1 A 31 31 ILE C C 31 178.287 178.670 -0.383 1
1 290 . 9 1 1 A 31 31 ILE CA C 31 64.416 65.667 -1.251 1
1 291 . 9 1 1 A 31 31 ILE CB C 31 37.777 37.864 -0.087 1
1 295 . 9 1 1 A 31 31 ILE N N 31 118.947 120.788 -1.841 1
1 296 . 9 1 1 A 32 32 LEU H H 32 8.126 8.129 -0.003 1
1 297 . 9 1 1 A 32 32 LEU HA H 32 3.418 3.817 -0.399 1
1 307 . 9 1 1 A 32 32 LEU C C 32 178.311 178.906 -0.595 1
1 308 . 9 1 1 A 32 32 LEU CA C 32 58.497 57.858 0.639 1
1 309 . 9 1 1 A 32 32 LEU CB C 32 38.146 41.141 -2.995 1
1 313 . 9 1 1 A 32 32 LEU N N 32 120.437 119.227 1.210 1
1 314 . 9 1 1 A 33 33 TYR H H 33 8.312 8.432 -0.120 1
1 315 . 9 1 1 A 33 33 TYR HA H 33 4.358 4.530 -0.172 1
1 322 . 9 1 1 A 33 33 TYR C C 33 178.214 178.655 -0.441 1
1 323 . 9 1 1 A 33 33 TYR CA C 33 62.645 61.001 1.644 1
1 324 . 9 1 1 A 33 33 TYR CB C 33 37.807 37.957 -0.150 1
1 329 . 9 1 1 A 33 33 TYR N N 33 117.248 118.172 -0.924 1
1 330 . 9 1 1 A 34 34 GLN H H 34 7.750 8.708 -0.958 1
1 331 . 9 1 1 A 34 34 GLN HA H 34 3.967 3.989 -0.022 1
1 338 . 9 1 1 A 34 34 GLN C C 34 180.065 179.190 0.875 1
1 339 . 9 1 1 A 34 34 GLN CA C 34 59.143 59.354 -0.211 1
1 340 . 9 1 1 A 34 34 GLN CB C 34 27.781 28.571 -0.790 1
1 342 . 9 1 1 A 34 34 GLN N N 34 117.509 118.231 -0.722 1
1 344 . 9 1 1 A 35 35 LYS H H 35 8.381 7.833 0.548 1
1 345 . 9 1 1 A 35 35 LYS HA H 35 4.132 4.235 -0.103 1
1 354 . 9 1 1 A 35 35 LYS C C 35 179.456 178.543 0.913 1
1 355 . 9 1 1 A 35 35 LYS CA C 35 57.839 58.706 -0.867 1
1 356 . 9 1 1 A 35 35 LYS CB C 35 31.487 32.920 -1.433 1
1 360 . 9 1 1 A 35 35 LYS N N 35 117.671 120.692 -3.021 1
1 361 . 9 1 1 A 36 36 TYR H H 36 9.036 8.384 0.652 1
1 362 . 9 1 1 A 36 36 TYR HA H 36 4.164 4.774 -0.610 1
1 369 . 9 1 1 A 36 36 TYR C C 36 176.630 177.579 -0.949 1
1 370 . 9 1 1 A 36 36 TYR CA C 36 61.726 61.447 0.279 1
1 371 . 9 1 1 A 36 36 TYR CB C 36 38.579 38.454 0.125 1
1 376 . 9 1 1 A 36 36 TYR N N 36 124.434 122.916 1.518 1
1 377 . 9 1 1 A 37 37 LEU H H 37 7.848 9.199 -1.351 1
1 378 . 9 1 1 A 37 37 LEU HA H 37 3.918 4.062 -0.144 1
1 388 . 9 1 1 A 37 37 LEU C C 37 179.334 179.448 -0.114 1
1 389 . 9 1 1 A 37 37 LEU CA C 37 56.827 58.250 -1.423 1
1 390 . 9 1 1 A 37 37 LEU CB C 37 42.069 41.816 0.253 1
1 394 . 9 1 1 A 37 37 LEU N N 37 116.192 120.239 -4.047 1
1 395 . 9 1 1 A 38 38 LEU H H 38 7.230 7.268 -0.038 1
1 396 . 9 1 1 A 38 38 LEU HA H 38 4.150 4.347 -0.197 1
1 406 . 9 1 1 A 38 38 LEU C C 38 178.116 176.359 1.757 1
1 407 . 9 1 1 A 38 38 LEU CA C 38 56.915 56.143 0.772 1
1 408 . 9 1 1 A 38 38 LEU CB C 38 42.336 42.728 -0.392 1
1 412 . 9 1 1 A 38 38 LEU N N 38 118.422 113.188 5.234 1
1 413 . 9 1 1 A 39 39 ASP H H 39 7.543 7.980 -0.437 1
1 414 . 9 1 1 A 39 39 ASP HA H 39 4.364 4.900 -0.536 1
1 417 . 9 1 1 A 39 39 ASP C C 39 174.778 175.839 -1.061 1
1 418 . 9 1 1 A 39 39 ASP CA C 39 54.731 53.691 1.040 1
1 419 . 9 1 1 A 39 39 ASP CB C 39 41.134 42.346 -1.212 1
1 420 . 9 1 1 A 39 39 ASP N N 39 117.417 118.964 -1.547 1
1 421 . 9 1 1 A 40 40 SER H H 40 8.240 8.719 -0.479 1
1 422 . 9 1 1 A 40 40 SER HA H 40 3.984 4.486 -0.502 1
1 425 . 9 1 1 A 40 40 SER C C 40 174.169 175.098 -0.929 1
1 426 . 9 1 1 A 40 40 SER CA C 40 58.825 58.136 0.689 1
1 427 . 9 1 1 A 40 40 SER CB C 40 63.964 63.382 0.582 1
1 428 . 9 1 1 A 40 40 SER N N 40 119.077 119.450 -0.373 1
1 429 . 9 1 1 A 41 41 ASN H H 41 8.711 7.898 0.813 1
1 430 . 9 1 1 A 41 41 ASN HA H 41 5.007 5.193 -0.186 1
1 435 . 9 1 1 A 41 41 ASN C C 41 171.078 172.440 -1.362 1
1 436 . 9 1 1 A 41 41 ASN CA C 41 51.291 50.859 0.432 1
1 437 . 9 1 1 A 41 41 ASN CB C 41 39.815 39.436 0.379 1
1 438 . 9 1 1 A 41 41 ASN N N 41 119.546 119.136 0.410 1
1 440 . 9 1 1 A 42 42 PRO HA H 42 4.408 4.652 -0.244 1
1 447 . 9 1 1 A 42 42 PRO C C 42 177.028 175.322 1.706 1
1 448 . 9 1 1 A 42 42 PRO CA C 42 62.678 62.366 0.312 1
1 449 . 9 1 1 A 42 42 PRO CB C 42 31.869 33.013 -1.144 1
1 452 . 9 1 1 A 43 43 THR H H 43 7.797 8.333 -0.536 1
1 453 . 9 1 1 A 43 43 THR HA H 43 4.205 5.016 -0.811 1
1 458 . 9 1 1 A 43 43 THR C C 43 174.729 174.213 0.516 1
1 459 . 9 1 1 A 43 43 THR CA C 43 60.690 59.641 1.049 1
1 460 . 9 1 1 A 43 43 THR CB C 43 71.138 71.385 -0.247 1
1 462 . 9 1 1 A 43 43 THR N N 43 111.399 115.147 -3.748 1
1 463 . 9 1 1 A 44 44 ARG H H 44 8.718 9.009 -0.291 1
1 464 . 9 1 1 A 44 44 ARG HA H 44 3.863 3.923 -0.060 1
1 471 . 9 1 1 A 44 44 ARG C C 44 178.384 178.517 -0.133 1
1 472 . 9 1 1 A 44 44 ARG CA C 44 60.014 59.901 0.113 1
1 473 . 9 1 1 A 44 44 ARG CB C 44 29.512 29.883 -0.371 1
1 476 . 9 1 1 A 44 44 ARG N N 44 120.640 126.372 -5.732 1
1 477 . 9 1 1 A 45 45 LYS H H 45 8.142 7.864 0.278 1
1 478 . 9 1 1 A 45 45 LYS HA H 45 4.070 4.052 0.018 1
1 487 . 9 1 1 A 45 45 LYS C C 45 179.334 178.880 0.454 1
1 488 . 9 1 1 A 45 45 LYS CA C 45 59.170 59.280 -0.110 1
1 489 . 9 1 1 A 45 45 LYS CB C 45 32.457 32.164 0.293 1
1 493 . 9 1 1 A 45 45 LYS N N 45 117.851 119.675 -1.824 1
1 494 . 9 1 1 A 46 46 MET H H 46 7.560 8.363 -0.803 1
1 495 . 9 1 1 A 46 46 MET HA H 46 4.329 4.214 0.115 1
1 503 . 9 1 1 A 46 46 MET C C 46 178.774 178.873 -0.099 1
1 504 . 9 1 1 A 46 46 MET CA C 46 57.799 58.506 -0.707 1
1 505 . 9 1 1 A 46 46 MET CB C 46 32.210 33.023 -0.813 1
1 508 . 9 1 1 A 46 46 MET N N 46 119.433 118.056 1.377 1
1 509 . 9 1 1 A 47 47 LEU H H 47 8.624 8.440 0.184 1
1 510 . 9 1 1 A 47 47 LEU HA H 47 3.758 3.786 -0.028 1
1 520 . 9 1 1 A 47 47 LEU C C 47 178.701 178.770 -0.069 1
1 521 . 9 1 1 A 47 47 LEU CA C 47 58.648 58.110 0.538 1
1 522 . 9 1 1 A 47 47 LEU CB C 47 42.248 41.391 0.857 1
1 526 . 9 1 1 A 47 47 LEU N N 47 120.980 119.412 1.568 1
1 527 . 9 1 1 A 48 48 ASP H H 48 7.891 8.401 -0.510 1
1 528 . 9 1 1 A 48 48 ASP HA H 48 4.275 4.336 -0.061 1
1 531 . 9 1 1 A 48 48 ASP C C 48 178.798 178.181 0.617 1
1 532 . 9 1 1 A 48 48 ASP CA C 48 57.662 57.364 0.298 1
1 533 . 9 1 1 A 48 48 ASP CB C 48 40.347 41.349 -1.002 1
1 534 . 9 1 1 A 48 48 ASP N N 48 119.025 119.692 -0.667 1
1 535 . 9 1 1 A 49 49 HIS H H 49 7.760 7.710 0.050 1
1 536 . 9 1 1 A 49 49 HIS HA H 49 4.390 4.254 0.136 1
1 540 . 9 1 1 A 49 49 HIS C C 49 178.287 177.255 1.032 1
1 541 . 9 1 1 A 49 49 HIS CA C 49 59.930 60.006 -0.076 1
1 542 . 9 1 1 A 49 49 HIS CB C 49 30.348 30.106 0.242 1
1 544 . 9 1 1 A 49 49 HIS N N 49 120.629 119.004 1.625 1
1 545 . 9 1 1 A 50 50 ILE H H 50 8.934 8.664 0.270 1
1 546 . 9 1 1 A 50 50 ILE HA H 50 3.619 3.659 -0.040 1
1 556 . 9 1 1 A 50 50 ILE C C 50 177.410 178.262 -0.852 1
1 557 . 9 1 1 A 50 50 ILE CA C 50 65.779 65.616 0.163 1
1 558 . 9 1 1 A 50 50 ILE CB C 50 38.622 37.797 0.825 1
1 562 . 9 1 1 A 50 50 ILE N N 50 120.913 120.150 0.763 1
1 563 . 9 1 1 A 51 51 ALA H H 51 8.423 8.164 0.259 1
1 564 . 9 1 1 A 51 51 ALA HA H 51 3.859 4.135 -0.276 1
1 568 . 9 1 1 A 51 51 ALA C C 51 179.213 179.801 -0.588 1
1 569 . 9 1 1 A 51 51 ALA CA C 51 56.348 54.623 1.725 1
1 570 . 9 1 1 A 51 51 ALA CB C 51 17.292 18.052 -0.760 1
1 571 . 9 1 1 A 51 51 ALA N N 51 120.695 120.703 -0.008 1
1 572 . 9 1 1 A 52 52 HIS H H 52 7.735 7.962 -0.227 1
1 573 . 9 1 1 A 52 52 HIS HA H 52 4.273 4.181 0.092 1
1 577 . 9 1 1 A 52 52 HIS C C 52 177.799 177.239 0.560 1
1 578 . 9 1 1 A 52 52 HIS CA C 52 59.406 59.290 0.116 1
1 579 . 9 1 1 A 52 52 HIS CB C 52 29.842 29.791 0.051 1
1 581 . 9 1 1 A 52 52 HIS N N 52 115.822 118.002 -2.180 1
1 582 . 9 1 1 A 53 53 GLU H H 53 8.299 8.364 -0.065 1
1 583 . 9 1 1 A 53 53 GLU HA H 53 3.842 3.933 -0.091 1
1 588 . 9 1 1 A 53 53 GLU C C 53 178.652 178.350 0.302 1
1 589 . 9 1 1 A 53 53 GLU CA C 53 59.434 59.360 0.074 1
1 590 . 9 1 1 A 53 53 GLU CB C 53 30.204 29.145 1.059 1
1 592 . 9 1 1 A 53 53 GLU N N 53 120.073 117.786 2.287 1
1 593 . 9 1 1 A 54 54 VAL H H 54 8.446 7.837 0.609 1
1 594 . 9 1 1 A 54 54 VAL HA H 54 4.150 3.951 0.199 1
1 602 . 9 1 1 A 54 54 VAL C C 54 175.899 177.072 -1.173 1
1 603 . 9 1 1 A 54 54 VAL CA C 54 62.001 64.658 -2.657 1
1 604 . 9 1 1 A 54 54 VAL CB C 54 33.000 31.648 1.352 1
1 607 . 9 1 1 A 54 54 VAL N N 54 112.194 118.970 -6.776 1
1 608 . 9 1 1 A 55 55 GLY H H 55 7.879 8.134 -0.255 1
1 609 . 9 1 1 A 55 55 GLY HA2 H 55 3.975 3.872 0.103 1
1 610 . 9 1 1 A 55 55 GLY HA3 H 55 3.814 3.900 -0.086 1
1 611 . 9 1 1 A 55 55 GLY C C 55 174.461 174.045 0.416 1
1 612 . 9 1 1 A 55 55 GLY CA C 55 46.551 46.343 0.208 1
1 613 . 9 1 1 A 55 55 GLY N N 55 111.306 109.591 1.715 1
1 614 . 9 1 1 A 56 56 LEU H H 56 7.766 7.387 0.379 1
1 615 . 9 1 1 A 56 56 LEU HA H 56 4.825 4.802 0.023 1
1 625 . 9 1 1 A 56 56 LEU C C 56 175.704 175.503 0.201 1
1 626 . 9 1 1 A 56 56 LEU CA C 56 52.223 53.283 -1.060 1
1 627 . 9 1 1 A 56 56 LEU CB C 56 47.913 45.881 2.032 1
1 631 . 9 1 1 A 56 56 LEU N N 56 119.685 121.104 -1.419 1
1 632 . 9 1 1 A 57 57 LYS H H 57 8.268 8.466 -0.198 1
1 633 . 9 1 1 A 57 57 LYS HA H 57 4.212 4.231 -0.019 1
1 642 . 9 1 1 A 57 57 LYS C C 57 178.555 177.698 0.857 1
1 643 . 9 1 1 A 57 57 LYS CA C 57 56.375 57.142 -0.767 1
1 644 . 9 1 1 A 57 57 LYS CB C 57 32.750 32.349 0.401 1
1 648 . 9 1 1 A 57 57 LYS N N 57 118.380 124.613 -6.233 1
1 649 . 9 1 1 A 58 58 LYS H H 58 8.853 8.998 -0.145 1
1 650 . 9 1 1 A 58 58 LYS HA H 58 3.670 3.799 -0.129 1
1 659 . 9 1 1 A 58 58 LYS C C 58 178.652 178.211 0.441 1
1 660 . 9 1 1 A 58 58 LYS CA C 58 61.026 60.564 0.462 1
1 661 . 9 1 1 A 58 58 LYS CB C 58 31.655 32.188 -0.533 1
1 665 . 9 1 1 A 58 58 LYS N N 58 123.883 126.781 -2.898 1
1 666 . 9 1 1 A 59 59 ARG H H 59 8.834 7.717 1.117 1
1 667 . 9 1 1 A 59 59 ARG HA H 59 4.120 4.125 -0.005 1
1 674 . 9 1 1 A 59 59 ARG C C 59 177.872 178.870 -0.998 1
1 675 . 9 1 1 A 59 59 ARG CA C 59 58.851 58.838 0.013 1
1 676 . 9 1 1 A 59 59 ARG CB C 59 29.832 29.805 0.027 1
1 679 . 9 1 1 A 59 59 ARG N N 59 117.315 119.095 -1.780 1
1 680 . 9 1 1 A 60 60 VAL H H 60 6.892 8.111 -1.219 1
1 681 . 9 1 1 A 60 60 VAL HA H 60 3.677 3.793 -0.116 1
1 689 . 9 1 1 A 60 60 VAL C C 60 178.701 178.666 0.035 1
1 690 . 9 1 1 A 60 60 VAL CA C 60 65.741 66.055 -0.314 1
1 691 . 9 1 1 A 60 60 VAL CB C 60 31.520 31.635 -0.115 1
1 694 . 9 1 1 A 60 60 VAL N N 60 117.560 119.762 -2.202 1
1 695 . 9 1 1 A 61 61 VAL H H 61 7.394 8.197 -0.803 1
1 696 . 9 1 1 A 61 61 VAL HA H 61 3.647 3.702 -0.055 1
1 704 . 9 1 1 A 61 61 VAL C C 61 177.385 178.351 -0.966 1
1 705 . 9 1 1 A 61 61 VAL CA C 61 67.232 66.819 0.413 1
1 706 . 9 1 1 A 61 61 VAL CB C 61 32.125 31.554 0.571 1
1 709 . 9 1 1 A 61 61 VAL N N 61 119.625 121.006 -1.381 1
1 710 . 9 1 1 A 62 62 GLN H H 62 8.681 8.474 0.207 1
1 711 . 9 1 1 A 62 62 GLN HA H 62 4.047 4.023 0.024 1
1 718 . 9 1 1 A 62 62 GLN C C 62 178.798 178.712 0.086 1
1 719 . 9 1 1 A 62 62 GLN CA C 62 60.169 58.872 1.297 1
1 720 . 9 1 1 A 62 62 GLN CB C 62 28.935 28.654 0.281 1
1 722 . 9 1 1 A 62 62 GLN N N 62 119.803 120.063 -0.260 1
1 724 . 9 1 1 A 63 63 VAL H H 63 8.279 8.514 -0.235 1
1 725 . 9 1 1 A 63 63 VAL HA H 63 3.703 3.646 0.057 1
1 733 . 9 1 1 A 63 63 VAL C C 63 177.263 178.277 -1.014 1
1 734 . 9 1 1 A 63 63 VAL CA C 63 66.384 66.382 0.002 1
1 735 . 9 1 1 A 63 63 VAL CB C 63 31.983 31.748 0.235 1
1 738 . 9 1 1 A 63 63 VAL N N 63 120.104 119.365 0.739 1
1 739 . 9 1 1 A 64 64 TRP H H 64 8.376 8.252 0.124 1
1 740 . 9 1 1 A 64 64 TRP HA H 64 4.015 4.263 -0.248 1
1 749 . 9 1 1 A 64 64 TRP C C 64 180.309 178.018 2.291 1
1 750 . 9 1 1 A 64 64 TRP CA C 64 63.421 60.701 2.720 1
1 751 . 9 1 1 A 64 64 TRP CB C 64 28.382 29.873 -1.491 1
1 757 . 9 1 1 A 64 64 TRP N N 64 122.121 121.657 0.464 1
1 759 . 9 1 1 A 65 65 PHE H H 65 9.032 8.150 0.882 1
1 760 . 9 1 1 A 65 65 PHE HA H 65 3.662 4.358 -0.696 1
1 768 . 9 1 1 A 65 65 PHE C C 65 178.214 178.856 -0.642 1
1 769 . 9 1 1 A 65 65 PHE CA C 65 63.919 61.401 2.518 1
1 770 . 9 1 1 A 65 65 PHE CB C 65 39.512 39.435 0.077 1
1 776 . 9 1 1 A 65 65 PHE N N 65 120.975 117.333 3.642 1
1 777 . 9 1 1 A 66 66 GLN H H 66 8.021 7.946 0.075 1
1 778 . 9 1 1 A 66 66 GLN HA H 66 3.957 4.095 -0.138 1
1 785 . 9 1 1 A 66 66 GLN C C 66 179.066 177.994 1.072 1
1 786 . 9 1 1 A 66 66 GLN CA C 66 59.426 58.666 0.760 1
1 787 . 9 1 1 A 66 66 GLN CB C 66 28.536 28.038 0.498 1
1 789 . 9 1 1 A 66 66 GLN N N 66 117.887 116.993 0.894 1
1 791 . 9 1 1 A 67 67 ASN H H 67 8.807 8.187 0.620 1
1 792 . 9 1 1 A 67 67 ASN HA H 67 4.331 4.507 -0.176 1
1 797 . 9 1 1 A 67 67 ASN C C 67 177.775 177.825 -0.050 1
1 798 . 9 1 1 A 67 67 ASN CA C 67 55.461 56.012 -0.551 1
1 799 . 9 1 1 A 67 67 ASN CB C 67 37.718 38.283 -0.565 1
1 800 . 9 1 1 A 67 67 ASN N N 67 119.312 118.390 0.922 1
1 802 . 9 1 1 A 68 68 THR H H 68 8.092 7.545 0.547 1
1 803 . 9 1 1 A 68 68 THR HA H 68 3.262 3.374 -0.112 1
1 808 . 9 1 1 A 68 68 THR C C 68 175.972 176.118 -0.146 1
1 809 . 9 1 1 A 68 68 THR CA C 68 66.903 66.755 0.148 1
1 810 . 9 1 1 A 68 68 THR CB C 68 67.800 67.999 -0.199 1
1 812 . 9 1 1 A 68 68 THR N N 68 120.500 116.670 3.830 1
1 813 . 9 1 1 A 69 69 ARG H H 69 8.154 8.061 0.093 1
1 814 . 9 1 1 A 69 69 ARG HA H 69 4.362 4.083 0.279 1
1 821 . 9 1 1 A 69 69 ARG C C 69 179.432 178.538 0.894 1
1 822 . 9 1 1 A 69 69 ARG CA C 69 59.805 60.127 -0.322 1
1 823 . 9 1 1 A 69 69 ARG CB C 69 31.490 30.241 1.249 1
1 826 . 9 1 1 A 69 69 ARG N N 69 121.451 119.772 1.679 1
1 827 . 9 1 1 A 70 70 ALA H H 70 7.686 7.618 0.068 1
1 828 . 9 1 1 A 70 70 ALA HA H 70 4.107 4.069 0.038 1
1 832 . 9 1 1 A 70 70 ALA C C 70 179.724 180.304 -0.580 1
1 833 . 9 1 1 A 70 70 ALA CA C 70 54.512 55.038 -0.526 1
1 834 . 9 1 1 A 70 70 ALA CB C 70 18.187 18.615 -0.428 1
1 835 . 9 1 1 A 70 70 ALA N N 70 119.887 121.750 -1.863 1
1 836 . 9 1 1 A 71 71 ARG H H 71 7.588 7.749 -0.161 1
1 837 . 9 1 1 A 71 71 ARG HA H 71 4.073 4.017 0.056 1
1 844 . 9 1 1 A 71 71 ARG C C 71 177.775 179.398 -1.623 1
1 845 . 9 1 1 A 71 71 ARG CA C 71 57.849 59.844 -1.995 1
1 846 . 9 1 1 A 71 71 ARG CB C 71 30.419 30.049 0.370 1
1 849 . 9 1 1 A 71 71 ARG N N 71 117.554 117.684 -0.130 1
1 850 . 9 1 1 A 72 72 GLU H H 72 7.776 8.727 -0.951 1
1 851 . 9 1 1 A 72 72 GLU HA H 72 4.129 4.014 0.115 1
1 856 . 9 1 1 A 72 72 GLU C C 72 177.190 179.478 -2.288 1
1 857 . 9 1 1 A 72 72 GLU CA C 72 57.625 59.376 -1.751 1
1 858 . 9 1 1 A 72 72 GLU CB C 72 29.815 29.276 0.539 1
1 860 . 9 1 1 A 72 72 GLU N N 72 119.019 119.572 -0.553 1
1 861 . 9 1 1 A 73 73 ARG H H 73 7.956 7.835 0.121 1
1 862 . 9 1 1 A 73 73 ARG HA H 73 4.228 4.154 0.074 1
1 869 . 9 1 1 A 73 73 ARG C C 73 176.581 178.749 -2.168 1
1 870 . 9 1 1 A 73 73 ARG CA C 73 56.773 59.262 -2.489 1
1 871 . 9 1 1 A 73 73 ARG CB C 73 30.254 30.172 0.082 1
1 874 . 9 1 1 A 73 73 ARG N N 73 119.948 119.769 0.179 1
1 875 . 9 1 1 A 74 74 LYS H H 74 8.155 7.739 0.416 1
1 876 . 9 1 1 A 74 74 LYS HA H 74 4.329 4.101 0.228 1
1 885 . 9 1 1 A 74 74 LYS C C 74 176.703 177.049 -0.346 1
1 886 . 9 1 1 A 74 74 LYS CA C 74 56.458 59.356 -2.898 1
1 887 . 9 1 1 A 74 74 LYS CB C 74 32.825 32.208 0.617 1
1 891 . 9 1 1 A 74 74 LYS N N 74 121.577 120.315 1.262 1
1 892 . 9 1 1 A 75 75 SER H H 75 8.246 7.585 0.661 1
1 893 . 9 1 1 A 75 75 SER HA H 75 4.474 4.883 -0.409 1
1 896 . 9 1 1 A 75 75 SER C C 75 174.486 173.613 0.873 1
1 897 . 9 1 1 A 75 75 SER CA C 75 58.365 56.864 1.501 1
1 898 . 9 1 1 A 75 75 SER CB C 75 63.967 64.166 -0.199 1
1 899 . 9 1 1 A 75 75 SER N N 75 116.340 113.430 2.910 1
1 900 . 9 1 1 A 76 76 GLY H H 76 8.205 8.384 -0.179 1
1 901 . 9 1 1 A 76 76 GLY HA2 H 76 4.118 4.273 -0.155 1
1 902 . 9 1 1 A 76 76 GLY HA3 H 76 4.118 4.273 -0.155 1
1 903 . 9 1 1 A 76 76 GLY C C 76 171.758 171.741 0.017 1
1 904 . 9 1 1 A 76 76 GLY CA C 76 44.661 44.822 -0.161 1
1 905 . 9 1 1 A 76 76 GLY N N 76 110.555 113.491 -2.936 1
1 906 . 9 1 1 A 77 77 PRO HA H 77 4.450 4.380 0.070 1
1 913 . 9 1 1 A 77 77 PRO C C 77 177.458 177.427 0.031 1
1 914 . 9 1 1 A 77 77 PRO CA C 77 63.249 63.200 0.049 1
1 915 . 9 1 1 A 77 77 PRO CB C 77 32.180 30.861 1.319 1
1 918 . 9 1 1 A 78 78 SER H H 78 8.525 8.534 -0.009 1
1 919 . 9 1 1 A 78 78 SER HA H 78 4.471 4.202 0.269 1
1 922 . 9 1 1 A 78 78 SER C C 78 174.648 175.139 -0.491 1
1 923 . 9 1 1 A 78 78 SER CA C 78 58.460 59.327 -0.867 1
1 924 . 9 1 1 A 78 78 SER CB C 78 63.885 62.721 1.164 1
1 925 . 9 1 1 A 78 78 SER N N 78 116.381 119.379 -2.998 1
1 926 . 9 1 1 A 79 79 SER H H 79 8.309 7.827 0.482 1
1 927 . 9 1 1 A 79 79 SER HA H 79 4.457 4.286 0.171 1
1 930 . 9 1 1 A 79 79 SER C C 79 173.925 175.154 -1.229 1
1 931 . 9 1 1 A 79 79 SER CA C 79 58.401 60.967 -2.566 1
1 932 . 9 1 1 A 79 79 SER CB C 79 64.132 63.220 0.912 1
1 933 . 9 1 1 A 79 79 SER N N 79 117.741 115.073 2.668 1
1 1 . 10 1 1 A 8 8 GLY HA2 H 8 4.031 3.889 0.142 1
1 2 . 10 1 1 A 8 8 GLY HA3 H 8 4.031 3.889 0.142 1
1 3 . 10 1 1 A 8 8 GLY C C 8 174.729 174.646 0.083 1
1 4 . 10 1 1 A 8 8 GLY CA C 8 45.278 47.042 -1.764 1
1 5 . 10 1 1 A 9 9 THR H H 9 8.248 7.887 0.361 1
1 6 . 10 1 1 A 9 9 THR HA H 9 4.376 4.804 -0.428 1
1 11 . 10 1 1 A 9 9 THR C C 9 175.485 174.635 0.850 1
1 12 . 10 1 1 A 9 9 THR CA C 9 61.837 60.915 0.922 1
1 13 . 10 1 1 A 9 9 THR CB C 9 69.737 70.937 -1.200 1
1 15 . 10 1 1 A 9 9 THR N N 9 112.908 114.259 -1.351 1
1 16 . 10 1 1 A 10 10 GLY H H 10 8.581 8.285 0.296 1
1 17 . 10 1 1 A 10 10 GLY HA2 H 10 3.985 4.102 -0.117 1
1 18 . 10 1 1 A 10 10 GLY HA3 H 10 3.985 4.102 -0.117 1
1 19 . 10 1 1 A 10 10 GLY C C 10 174.705 173.691 1.014 1
1 20 . 10 1 1 A 10 10 GLY CA C 10 45.455 44.072 1.383 1
1 21 . 10 1 1 A 10 10 GLY N N 10 111.487 111.765 -0.278 1
1 22 . 10 1 1 A 11 11 GLY H H 11 8.286 8.627 -0.341 1
1 23 . 10 1 1 A 11 11 GLY HA2 H 11 3.958 4.073 -0.115 1
1 24 . 10 1 1 A 11 11 GLY HA3 H 11 3.958 4.074 -0.116 1
1 25 . 10 1 1 A 11 11 GLY C C 11 174.071 173.365 0.706 1
1 26 . 10 1 1 A 11 11 GLY CA C 11 45.101 44.801 0.300 1
1 27 . 10 1 1 A 11 11 GLY N N 11 108.887 110.665 -1.778 1
1 28 . 10 1 1 A 12 12 GLU H H 12 8.333 7.920 0.413 1
1 29 . 10 1 1 A 12 12 GLU HA H 12 4.271 4.732 -0.461 1
1 34 . 10 1 1 A 12 12 GLU C C 12 176.435 174.232 2.203 1
1 35 . 10 1 1 A 12 12 GLU CA C 12 56.278 55.549 0.729 1
1 36 . 10 1 1 A 12 12 GLU CB C 12 30.358 33.751 -3.393 1
1 38 . 10 1 1 A 12 12 GLU N N 12 120.407 119.795 0.612 1
1 39 . 10 1 1 A 13 13 GLU H H 13 8.546 8.422 0.124 1
1 40 . 10 1 1 A 13 13 GLU HA H 13 4.521 4.514 0.007 1
1 45 . 10 1 1 A 13 13 GLU C C 13 174.648 175.656 -1.008 1
1 46 . 10 1 1 A 13 13 GLU CA C 13 54.687 55.013 -0.326 1
1 47 . 10 1 1 A 13 13 GLU CB C 13 29.688 30.066 -0.378 1
1 49 . 10 1 1 A 13 13 GLU N N 13 123.832 123.313 0.519 1
1 50 . 10 1 1 A 14 14 PRO HA H 14 4.375 4.871 -0.496 1
1 57 . 10 1 1 A 14 14 PRO C C 14 177.117 175.256 1.861 1
1 58 . 10 1 1 A 14 14 PRO CA C 14 63.379 62.699 0.680 1
1 59 . 10 1 1 A 14 14 PRO CB C 14 32.003 31.878 0.125 1
1 62 . 10 1 1 A 15 15 GLN H H 15 8.543 9.098 -0.555 1
1 63 . 10 1 1 A 15 15 GLN HA H 15 4.230 4.637 -0.407 1
1 70 . 10 1 1 A 15 15 GLN C C 15 176.459 174.262 2.197 1
1 71 . 10 1 1 A 15 15 GLN CA C 15 56.171 55.219 0.952 1
1 72 . 10 1 1 A 15 15 GLN CB C 15 28.935 31.915 -2.980 1
1 74 . 10 1 1 A 15 15 GLN N N 15 120.153 123.378 -3.225 1
1 76 . 10 1 1 A 16 16 ARG H H 16 8.337 8.417 -0.080 1
1 77 . 10 1 1 A 16 16 ARG HA H 16 4.219 4.400 -0.181 1
1 84 . 10 1 1 A 16 16 ARG C C 16 176.216 175.411 0.805 1
1 85 . 10 1 1 A 16 16 ARG CA C 16 56.809 55.907 0.902 1
1 86 . 10 1 1 A 16 16 ARG CB C 16 30.666 31.053 -0.387 1
1 89 . 10 1 1 A 16 16 ARG N N 16 122.090 124.451 -2.361 1
1 90 . 10 1 1 A 17 17 ASP H H 17 8.313 8.917 -0.604 1
1 91 . 10 1 1 A 17 17 ASP HA H 17 4.523 4.722 -0.199 1
1 94 . 10 1 1 A 17 17 ASP C C 17 176.727 176.113 0.614 1
1 95 . 10 1 1 A 17 17 ASP CA C 17 54.591 53.211 1.380 1
1 96 . 10 1 1 A 17 17 ASP CB C 17 41.097 40.349 0.748 1
1 97 . 10 1 1 A 17 17 ASP N N 17 120.664 121.970 -1.306 1
1 98 . 10 1 1 A 18 18 LYS H H 18 8.276 8.809 -0.533 1
1 99 . 10 1 1 A 18 18 LYS HA H 18 4.175 4.185 -0.010 1
1 108 . 10 1 1 A 18 18 LYS C C 18 176.971 176.858 0.113 1
1 109 . 10 1 1 A 18 18 LYS CA C 18 56.971 58.312 -1.341 1
1 110 . 10 1 1 A 18 18 LYS CB C 18 32.562 33.270 -0.708 1
1 114 . 10 1 1 A 18 18 LYS N N 18 122.504 126.826 -4.322 1
1 115 . 10 1 1 A 19 19 ARG H H 19 8.240 7.583 0.657 1
1 116 . 10 1 1 A 19 19 ARG HA H 19 4.205 4.467 -0.262 1
1 123 . 10 1 1 A 19 19 ARG C C 19 176.532 175.284 1.248 1
1 124 . 10 1 1 A 19 19 ARG CA C 19 56.632 56.046 0.586 1
1 125 . 10 1 1 A 19 19 ARG CB C 19 30.647 30.836 -0.189 1
1 128 . 10 1 1 A 19 19 ARG N N 19 120.296 120.232 0.064 1
1 129 . 10 1 1 A 20 20 LEU H H 20 8.068 8.780 -0.712 1
1 130 . 10 1 1 A 20 20 LEU HA H 20 4.262 5.030 -0.768 1
1 140 . 10 1 1 A 20 20 LEU C C 20 177.288 175.604 1.684 1
1 141 . 10 1 1 A 20 20 LEU CA C 20 55.110 53.642 1.468 1
1 142 . 10 1 1 A 20 20 LEU CB C 20 42.081 46.711 -4.630 1
1 146 . 10 1 1 A 20 20 LEU N N 20 121.867 126.775 -4.908 1
1 147 . 10 1 1 A 21 21 ARG H H 21 8.226 8.609 -0.383 1
1 148 . 10 1 1 A 21 21 ARG HA H 21 4.413 4.853 -0.440 1
1 155 . 10 1 1 A 21 21 ARG C C 21 176.313 175.978 0.335 1
1 156 . 10 1 1 A 21 21 ARG CA C 21 56.194 54.675 1.519 1
1 157 . 10 1 1 A 21 21 ARG CB C 21 30.996 33.740 -2.744 1
1 160 . 10 1 1 A 21 21 ARG N N 21 121.612 121.072 0.540 1
1 161 . 10 1 1 A 22 22 THR H H 22 8.215 8.322 -0.107 1
1 162 . 10 1 1 A 22 22 THR HA H 22 4.405 4.263 0.142 1
1 167 . 10 1 1 A 22 22 THR C C 22 174.169 175.119 -0.950 1
1 168 . 10 1 1 A 22 22 THR CA C 22 61.963 64.496 -2.533 1
1 169 . 10 1 1 A 22 22 THR CB C 22 69.779 69.346 0.433 1
1 171 . 10 1 1 A 22 22 THR N N 22 114.661 115.467 -0.806 1
1 172 . 10 1 1 A 23 23 THR H H 23 8.087 7.481 0.606 1
1 173 . 10 1 1 A 23 23 THR HA H 23 4.308 4.300 0.008 1
1 178 . 10 1 1 A 23 23 THR C C 23 173.413 173.826 -0.413 1
1 179 . 10 1 1 A 23 23 THR CA C 23 62.158 62.055 0.103 1
1 180 . 10 1 1 A 23 23 THR CB C 23 69.916 70.332 -0.416 1
1 182 . 10 1 1 A 23 23 THR N N 23 118.008 114.558 3.450 1
1 183 . 10 1 1 A 24 24 ILE H H 24 8.110 8.265 -0.155 1
1 184 . 10 1 1 A 24 24 ILE HA H 24 4.200 5.068 -0.868 1
1 194 . 10 1 1 A 24 24 ILE C C 24 176.654 175.789 0.865 1
1 195 . 10 1 1 A 24 24 ILE CA C 24 61.690 59.791 1.899 1
1 196 . 10 1 1 A 24 24 ILE CB C 24 39.487 41.420 -1.933 1
1 200 . 10 1 1 A 24 24 ILE N N 24 124.852 120.868 3.984 1
1 201 . 10 1 1 A 25 25 THR H H 25 9.023 8.533 0.490 1
1 202 . 10 1 1 A 25 25 THR HA H 25 4.564 4.985 -0.421 1
1 207 . 10 1 1 A 25 25 THR C C 25 173.433 174.332 -0.899 1
1 208 . 10 1 1 A 25 25 THR CA C 25 60.759 58.587 2.172 1
1 209 . 10 1 1 A 25 25 THR CB C 25 68.089 69.754 -1.665 1
1 211 . 10 1 1 A 25 25 THR N N 25 120.568 115.720 4.848 1
1 212 . 10 1 1 A 26 26 PRO HA H 26 4.172 4.568 -0.396 1
1 219 . 10 1 1 A 26 26 PRO C C 26 179.237 177.308 1.929 1
1 220 . 10 1 1 A 26 26 PRO CA C 26 65.917 64.447 1.470 1
1 221 . 10 1 1 A 26 26 PRO CB C 26 31.725 31.706 0.019 1
1 224 . 10 1 1 A 27 27 GLU H H 27 8.722 8.456 0.266 1
1 225 . 10 1 1 A 27 27 GLU HA H 27 4.006 4.263 -0.257 1
1 230 . 10 1 1 A 27 27 GLU C C 27 179.749 178.492 1.257 1
1 231 . 10 1 1 A 27 27 GLU CA C 27 60.353 57.599 2.754 1
1 232 . 10 1 1 A 27 27 GLU CB C 27 28.851 30.028 -1.177 1
1 234 . 10 1 1 A 27 27 GLU N N 27 117.087 117.551 -0.464 1
1 235 . 10 1 1 A 28 28 GLN H H 28 7.666 7.539 0.127 1
1 236 . 10 1 1 A 28 28 GLN HA H 28 3.767 4.095 -0.328 1
1 243 . 10 1 1 A 28 28 GLN C C 28 177.872 178.114 -0.242 1
1 244 . 10 1 1 A 28 28 GLN CA C 28 58.821 58.263 0.558 1
1 245 . 10 1 1 A 28 28 GLN CB C 28 29.401 28.686 0.715 1
1 247 . 10 1 1 A 28 28 GLN N N 28 119.298 119.512 -0.214 1
1 249 . 10 1 1 A 29 29 LEU H H 29 8.453 7.995 0.458 1
1 250 . 10 1 1 A 29 29 LEU HA H 29 3.484 3.604 -0.120 1
1 260 . 10 1 1 A 29 29 LEU C C 29 178.092 178.662 -0.570 1
1 261 . 10 1 1 A 29 29 LEU CA C 29 57.737 57.606 0.131 1
1 262 . 10 1 1 A 29 29 LEU CB C 29 41.578 41.611 -0.033 1
1 266 . 10 1 1 A 29 29 LEU N N 29 120.145 120.365 -0.220 1
1 267 . 10 1 1 A 30 30 GLU H H 30 7.607 8.333 -0.726 1
1 268 . 10 1 1 A 30 30 GLU HA H 30 4.069 4.094 -0.025 1
1 273 . 10 1 1 A 30 30 GLU C C 30 179.140 179.376 -0.236 1
1 274 . 10 1 1 A 30 30 GLU CA C 30 59.334 59.686 -0.352 1
1 275 . 10 1 1 A 30 30 GLU CB C 30 29.512 29.421 0.091 1
1 277 . 10 1 1 A 30 30 GLU N N 30 116.903 116.574 0.329 1
1 278 . 10 1 1 A 31 31 ILE H H 31 7.070 8.043 -0.973 1
1 279 . 10 1 1 A 31 31 ILE HA H 31 3.692 3.660 0.032 1
1 289 . 10 1 1 A 31 31 ILE C C 31 178.287 178.644 -0.357 1
1 290 . 10 1 1 A 31 31 ILE CA C 31 64.416 65.830 -1.414 1
1 291 . 10 1 1 A 31 31 ILE CB C 31 37.777 38.005 -0.228 1
1 295 . 10 1 1 A 31 31 ILE N N 31 118.947 121.024 -2.077 1
1 296 . 10 1 1 A 32 32 LEU H H 32 8.126 8.099 0.027 1
1 297 . 10 1 1 A 32 32 LEU HA H 32 3.418 3.766 -0.348 1
1 307 . 10 1 1 A 32 32 LEU C C 32 178.311 178.699 -0.388 1
1 308 . 10 1 1 A 32 32 LEU CA C 32 58.497 57.865 0.632 1
1 309 . 10 1 1 A 32 32 LEU CB C 32 38.146 41.028 -2.882 1
1 313 . 10 1 1 A 32 32 LEU N N 32 120.437 118.848 1.589 1
1 314 . 10 1 1 A 33 33 TYR H H 33 8.312 8.428 -0.116 1
1 315 . 10 1 1 A 33 33 TYR HA H 33 4.358 4.516 -0.158 1
1 322 . 10 1 1 A 33 33 TYR C C 33 178.214 178.490 -0.276 1
1 323 . 10 1 1 A 33 33 TYR CA C 33 62.645 60.976 1.669 1
1 324 . 10 1 1 A 33 33 TYR CB C 33 37.807 38.103 -0.296 1
1 329 . 10 1 1 A 33 33 TYR N N 33 117.248 117.979 -0.731 1
1 330 . 10 1 1 A 34 34 GLN H H 34 7.750 8.562 -0.812 1
1 331 . 10 1 1 A 34 34 GLN HA H 34 3.967 3.966 0.001 1
1 338 . 10 1 1 A 34 34 GLN C C 34 180.065 179.028 1.037 1
1 339 . 10 1 1 A 34 34 GLN CA C 34 59.143 59.370 -0.227 1
1 340 . 10 1 1 A 34 34 GLN CB C 34 27.781 28.507 -0.726 1
1 342 . 10 1 1 A 34 34 GLN N N 34 117.509 117.950 -0.441 1
1 344 . 10 1 1 A 35 35 LYS H H 35 8.381 7.954 0.427 1
1 345 . 10 1 1 A 35 35 LYS HA H 35 4.132 4.195 -0.063 1
1 354 . 10 1 1 A 35 35 LYS C C 35 179.456 178.579 0.877 1
1 355 . 10 1 1 A 35 35 LYS CA C 35 57.839 58.687 -0.848 1
1 356 . 10 1 1 A 35 35 LYS CB C 35 31.487 32.607 -1.120 1
1 360 . 10 1 1 A 35 35 LYS N N 35 117.671 120.501 -2.830 1
1 361 . 10 1 1 A 36 36 TYR H H 36 9.036 8.375 0.661 1
1 362 . 10 1 1 A 36 36 TYR HA H 36 4.164 4.820 -0.656 1
1 369 . 10 1 1 A 36 36 TYR C C 36 176.630 177.492 -0.862 1
1 370 . 10 1 1 A 36 36 TYR CA C 36 61.726 61.503 0.223 1
1 371 . 10 1 1 A 36 36 TYR CB C 36 38.579 38.507 0.072 1
1 376 . 10 1 1 A 36 36 TYR N N 36 124.434 122.961 1.473 1
1 377 . 10 1 1 A 37 37 LEU H H 37 7.848 9.171 -1.323 1
1 378 . 10 1 1 A 37 37 LEU HA H 37 3.918 4.118 -0.200 1
1 388 . 10 1 1 A 37 37 LEU C C 37 179.334 179.322 0.012 1
1 389 . 10 1 1 A 37 37 LEU CA C 37 56.827 58.263 -1.436 1
1 390 . 10 1 1 A 37 37 LEU CB C 37 42.069 41.851 0.218 1
1 394 . 10 1 1 A 37 37 LEU N N 37 116.192 120.371 -4.179 1
1 395 . 10 1 1 A 38 38 LEU H H 38 7.230 7.377 -0.147 1
1 396 . 10 1 1 A 38 38 LEU HA H 38 4.150 4.410 -0.260 1
1 406 . 10 1 1 A 38 38 LEU C C 38 178.116 176.315 1.801 1
1 407 . 10 1 1 A 38 38 LEU CA C 38 56.915 55.563 1.352 1
1 408 . 10 1 1 A 38 38 LEU CB C 38 42.336 42.856 -0.520 1
1 412 . 10 1 1 A 38 38 LEU N N 38 118.422 113.240 5.182 1
1 413 . 10 1 1 A 39 39 ASP H H 39 7.543 8.232 -0.689 1
1 414 . 10 1 1 A 39 39 ASP HA H 39 4.364 4.914 -0.550 1
1 417 . 10 1 1 A 39 39 ASP C C 39 174.778 175.878 -1.100 1
1 418 . 10 1 1 A 39 39 ASP CA C 39 54.731 53.701 1.030 1
1 419 . 10 1 1 A 39 39 ASP CB C 39 41.134 42.328 -1.194 1
1 420 . 10 1 1 A 39 39 ASP N N 39 117.417 118.884 -1.467 1
1 421 . 10 1 1 A 40 40 SER H H 40 8.240 8.641 -0.401 1
1 422 . 10 1 1 A 40 40 SER HA H 40 3.984 4.780 -0.796 1
1 425 . 10 1 1 A 40 40 SER C C 40 174.169 175.093 -0.924 1
1 426 . 10 1 1 A 40 40 SER CA C 40 58.825 58.025 0.800 1
1 427 . 10 1 1 A 40 40 SER CB C 40 63.964 63.359 0.605 1
1 428 . 10 1 1 A 40 40 SER N N 40 119.077 119.502 -0.425 1
1 429 . 10 1 1 A 41 41 ASN H H 41 8.711 8.017 0.694 1
1 430 . 10 1 1 A 41 41 ASN HA H 41 5.007 5.193 -0.186 1
1 435 . 10 1 1 A 41 41 ASN C C 41 171.078 172.338 -1.260 1
1 436 . 10 1 1 A 41 41 ASN CA C 41 51.291 50.811 0.480 1
1 437 . 10 1 1 A 41 41 ASN CB C 41 39.815 39.451 0.364 1
1 438 . 10 1 1 A 41 41 ASN N N 41 119.546 118.899 0.647 1
1 440 . 10 1 1 A 42 42 PRO HA H 42 4.408 4.638 -0.230 1
1 447 . 10 1 1 A 42 42 PRO C C 42 177.028 175.873 1.155 1
1 448 . 10 1 1 A 42 42 PRO CA C 42 62.678 62.518 0.160 1
1 449 . 10 1 1 A 42 42 PRO CB C 42 31.869 32.500 -0.631 1
1 452 . 10 1 1 A 43 43 THR H H 43 7.797 8.367 -0.570 1
1 453 . 10 1 1 A 43 43 THR HA H 43 4.205 4.627 -0.422 1
1 458 . 10 1 1 A 43 43 THR C C 43 174.729 175.401 -0.672 1
1 459 . 10 1 1 A 43 43 THR CA C 43 60.690 60.107 0.583 1
1 460 . 10 1 1 A 43 43 THR CB C 43 71.138 70.687 0.451 1
1 462 . 10 1 1 A 43 43 THR N N 43 111.399 116.515 -5.116 1
1 463 . 10 1 1 A 44 44 ARG H H 44 8.718 8.907 -0.189 1
1 464 . 10 1 1 A 44 44 ARG HA H 44 3.863 3.914 -0.051 1
1 471 . 10 1 1 A 44 44 ARG C C 44 178.384 178.554 -0.170 1
1 472 . 10 1 1 A 44 44 ARG CA C 44 60.014 60.126 -0.112 1
1 473 . 10 1 1 A 44 44 ARG CB C 44 29.512 29.865 -0.353 1
1 476 . 10 1 1 A 44 44 ARG N N 44 120.640 127.437 -6.797 1
1 477 . 10 1 1 A 45 45 LYS H H 45 8.142 7.871 0.271 1
1 478 . 10 1 1 A 45 45 LYS HA H 45 4.070 4.034 0.036 1
1 487 . 10 1 1 A 45 45 LYS C C 45 179.334 178.689 0.645 1
1 488 . 10 1 1 A 45 45 LYS CA C 45 59.170 59.343 -0.173 1
1 489 . 10 1 1 A 45 45 LYS CB C 45 32.457 32.237 0.220 1
1 493 . 10 1 1 A 45 45 LYS N N 45 117.851 119.906 -2.055 1
1 494 . 10 1 1 A 46 46 MET H H 46 7.560 8.179 -0.619 1
1 495 . 10 1 1 A 46 46 MET HA H 46 4.329 4.133 0.196 1
1 503 . 10 1 1 A 46 46 MET C C 46 178.774 178.791 -0.017 1
1 504 . 10 1 1 A 46 46 MET CA C 46 57.799 58.492 -0.693 1
1 505 . 10 1 1 A 46 46 MET CB C 46 32.210 32.921 -0.711 1
1 508 . 10 1 1 A 46 46 MET N N 46 119.433 118.409 1.024 1
1 509 . 10 1 1 A 47 47 LEU H H 47 8.624 8.037 0.587 1
1 510 . 10 1 1 A 47 47 LEU HA H 47 3.758 3.834 -0.076 1
1 520 . 10 1 1 A 47 47 LEU C C 47 178.701 179.151 -0.450 1
1 521 . 10 1 1 A 47 47 LEU CA C 47 58.648 57.764 0.884 1
1 522 . 10 1 1 A 47 47 LEU CB C 47 42.248 41.558 0.690 1
1 526 . 10 1 1 A 47 47 LEU N N 47 120.980 119.573 1.407 1
1 527 . 10 1 1 A 48 48 ASP H H 48 7.891 7.887 0.004 1
1 528 . 10 1 1 A 48 48 ASP HA H 48 4.275 4.361 -0.086 1
1 531 . 10 1 1 A 48 48 ASP C C 48 178.798 178.466 0.332 1
1 532 . 10 1 1 A 48 48 ASP CA C 48 57.662 57.346 0.316 1
1 533 . 10 1 1 A 48 48 ASP CB C 48 40.347 41.147 -0.800 1
1 534 . 10 1 1 A 48 48 ASP N N 48 119.025 120.124 -1.099 1
1 535 . 10 1 1 A 49 49 HIS H H 49 7.760 7.989 -0.229 1
1 536 . 10 1 1 A 49 49 HIS HA H 49 4.390 4.279 0.111 1
1 540 . 10 1 1 A 49 49 HIS C C 49 178.287 177.307 0.980 1
1 541 . 10 1 1 A 49 49 HIS CA C 49 59.930 60.034 -0.104 1
1 542 . 10 1 1 A 49 49 HIS CB C 49 30.348 30.309 0.039 1
1 544 . 10 1 1 A 49 49 HIS N N 49 120.629 119.061 1.568 1
1 545 . 10 1 1 A 50 50 ILE H H 50 8.934 8.340 0.594 1
1 546 . 10 1 1 A 50 50 ILE HA H 50 3.619 3.598 0.021 1
1 556 . 10 1 1 A 50 50 ILE C C 50 177.410 178.242 -0.832 1
1 557 . 10 1 1 A 50 50 ILE CA C 50 65.779 65.573 0.206 1
1 558 . 10 1 1 A 50 50 ILE CB C 50 38.622 37.727 0.895 1
1 562 . 10 1 1 A 50 50 ILE N N 50 120.913 120.100 0.813 1
1 563 . 10 1 1 A 51 51 ALA H H 51 8.423 8.002 0.421 1
1 564 . 10 1 1 A 51 51 ALA HA H 51 3.859 4.124 -0.265 1
1 568 . 10 1 1 A 51 51 ALA C C 51 179.213 179.797 -0.584 1
1 569 . 10 1 1 A 51 51 ALA CA C 51 56.348 54.624 1.724 1
1 570 . 10 1 1 A 51 51 ALA CB C 51 17.292 18.046 -0.754 1
1 571 . 10 1 1 A 51 51 ALA N N 51 120.695 120.691 0.004 1
1 572 . 10 1 1 A 52 52 HIS H H 52 7.735 7.860 -0.125 1
1 573 . 10 1 1 A 52 52 HIS HA H 52 4.273 4.158 0.115 1
1 577 . 10 1 1 A 52 52 HIS C C 52 177.799 177.246 0.553 1
1 578 . 10 1 1 A 52 52 HIS CA C 52 59.406 59.305 0.101 1
1 579 . 10 1 1 A 52 52 HIS CB C 52 29.842 29.742 0.100 1
1 581 . 10 1 1 A 52 52 HIS N N 52 115.822 118.006 -2.184 1
1 582 . 10 1 1 A 53 53 GLU H H 53 8.299 8.316 -0.017 1
1 583 . 10 1 1 A 53 53 GLU HA H 53 3.842 3.901 -0.059 1
1 588 . 10 1 1 A 53 53 GLU C C 53 178.652 178.293 0.359 1
1 589 . 10 1 1 A 53 53 GLU CA C 53 59.434 59.305 0.129 1
1 590 . 10 1 1 A 53 53 GLU CB C 53 30.204 29.092 1.112 1
1 592 . 10 1 1 A 53 53 GLU N N 53 120.073 117.767 2.306 1
1 593 . 10 1 1 A 54 54 VAL H H 54 8.446 7.841 0.605 1
1 594 . 10 1 1 A 54 54 VAL HA H 54 4.150 3.939 0.211 1
1 602 . 10 1 1 A 54 54 VAL C C 54 175.899 176.962 -1.063 1
1 603 . 10 1 1 A 54 54 VAL CA C 54 62.001 64.831 -2.830 1
1 604 . 10 1 1 A 54 54 VAL CB C 54 33.000 31.580 1.420 1
1 607 . 10 1 1 A 54 54 VAL N N 54 112.194 118.751 -6.557 1
1 608 . 10 1 1 A 55 55 GLY H H 55 7.879 8.126 -0.247 1
1 609 . 10 1 1 A 55 55 GLY HA2 H 55 3.975 3.876 0.099 1
1 610 . 10 1 1 A 55 55 GLY HA3 H 55 3.814 3.899 -0.085 1
1 611 . 10 1 1 A 55 55 GLY C C 55 174.461 174.058 0.403 1
1 612 . 10 1 1 A 55 55 GLY CA C 55 46.551 46.531 0.020 1
1 613 . 10 1 1 A 55 55 GLY N N 55 111.306 109.721 1.585 1
1 614 . 10 1 1 A 56 56 LEU H H 56 7.766 7.327 0.439 1
1 615 . 10 1 1 A 56 56 LEU HA H 56 4.825 4.847 -0.022 1
1 625 . 10 1 1 A 56 56 LEU C C 56 175.704 175.665 0.039 1
1 626 . 10 1 1 A 56 56 LEU CA C 56 52.223 53.550 -1.327 1
1 627 . 10 1 1 A 56 56 LEU CB C 56 47.913 45.766 2.147 1
1 631 . 10 1 1 A 56 56 LEU N N 56 119.685 121.010 -1.325 1
1 632 . 10 1 1 A 57 57 LYS H H 57 8.268 8.476 -0.208 1
1 633 . 10 1 1 A 57 57 LYS HA H 57 4.212 4.148 0.064 1
1 642 . 10 1 1 A 57 57 LYS C C 57 178.555 177.663 0.892 1
1 643 . 10 1 1 A 57 57 LYS CA C 57 56.375 57.257 -0.882 1
1 644 . 10 1 1 A 57 57 LYS CB C 57 32.750 32.357 0.393 1
1 648 . 10 1 1 A 57 57 LYS N N 57 118.380 125.196 -6.816 1
1 649 . 10 1 1 A 58 58 LYS H H 58 8.853 8.958 -0.105 1
1 650 . 10 1 1 A 58 58 LYS HA H 58 3.670 3.855 -0.185 1
1 659 . 10 1 1 A 58 58 LYS C C 58 178.652 178.484 0.168 1
1 660 . 10 1 1 A 58 58 LYS CA C 58 61.026 60.610 0.416 1
1 661 . 10 1 1 A 58 58 LYS CB C 58 31.655 32.360 -0.705 1
1 665 . 10 1 1 A 58 58 LYS N N 58 123.883 127.486 -3.603 1
1 666 . 10 1 1 A 59 59 ARG H H 59 8.834 7.720 1.114 1
1 667 . 10 1 1 A 59 59 ARG HA H 59 4.120 4.128 -0.008 1
1 674 . 10 1 1 A 59 59 ARG C C 59 177.872 178.826 -0.954 1
1 675 . 10 1 1 A 59 59 ARG CA C 59 58.851 58.800 0.051 1
1 676 . 10 1 1 A 59 59 ARG CB C 59 29.832 29.806 0.026 1
1 679 . 10 1 1 A 59 59 ARG N N 59 117.315 118.991 -1.676 1
1 680 . 10 1 1 A 60 60 VAL H H 60 6.892 7.927 -1.035 1
1 681 . 10 1 1 A 60 60 VAL HA H 60 3.677 3.786 -0.109 1
1 689 . 10 1 1 A 60 60 VAL C C 60 178.701 178.588 0.113 1
1 690 . 10 1 1 A 60 60 VAL CA C 60 65.741 66.192 -0.451 1
1 691 . 10 1 1 A 60 60 VAL CB C 60 31.520 31.530 -0.010 1
1 694 . 10 1 1 A 60 60 VAL N N 60 117.560 119.835 -2.275 1
1 695 . 10 1 1 A 61 61 VAL H H 61 7.394 8.071 -0.677 1
1 696 . 10 1 1 A 61 61 VAL HA H 61 3.647 3.704 -0.057 1
1 704 . 10 1 1 A 61 61 VAL C C 61 177.385 178.411 -1.026 1
1 705 . 10 1 1 A 61 61 VAL CA C 61 67.232 66.743 0.489 1
1 706 . 10 1 1 A 61 61 VAL CB C 61 32.125 31.545 0.580 1
1 709 . 10 1 1 A 61 61 VAL N N 61 119.625 120.928 -1.303 1
1 710 . 10 1 1 A 62 62 GLN H H 62 8.681 8.324 0.357 1
1 711 . 10 1 1 A 62 62 GLN HA H 62 4.047 4.017 0.030 1
1 718 . 10 1 1 A 62 62 GLN C C 62 178.798 178.604 0.194 1
1 719 . 10 1 1 A 62 62 GLN CA C 62 60.169 59.114 1.055 1
1 720 . 10 1 1 A 62 62 GLN CB C 62 28.935 28.559 0.376 1
1 722 . 10 1 1 A 62 62 GLN N N 62 119.803 120.349 -0.546 1
1 724 . 10 1 1 A 63 63 VAL H H 63 8.279 8.493 -0.214 1
1 725 . 10 1 1 A 63 63 VAL HA H 63 3.703 3.655 0.048 1
1 733 . 10 1 1 A 63 63 VAL C C 63 177.263 178.505 -1.242 1
1 734 . 10 1 1 A 63 63 VAL CA C 63 66.384 66.477 -0.093 1
1 735 . 10 1 1 A 63 63 VAL CB C 63 31.983 31.831 0.152 1
1 738 . 10 1 1 A 63 63 VAL N N 63 120.104 119.146 0.958 1
1 739 . 10 1 1 A 64 64 TRP H H 64 8.376 8.442 -0.066 1
1 740 . 10 1 1 A 64 64 TRP HA H 64 4.015 4.178 -0.163 1
1 749 . 10 1 1 A 64 64 TRP C C 64 180.309 178.443 1.866 1
1 750 . 10 1 1 A 64 64 TRP CA C 64 63.421 61.121 2.300 1
1 751 . 10 1 1 A 64 64 TRP CB C 64 28.382 29.672 -1.290 1
1 757 . 10 1 1 A 64 64 TRP N N 64 122.121 121.834 0.287 1
1 759 . 10 1 1 A 65 65 PHE H H 65 9.032 8.013 1.019 1
1 760 . 10 1 1 A 65 65 PHE HA H 65 3.662 4.212 -0.550 1
1 768 . 10 1 1 A 65 65 PHE C C 65 178.214 178.445 -0.231 1
1 769 . 10 1 1 A 65 65 PHE CA C 65 63.919 62.407 1.512 1
1 770 . 10 1 1 A 65 65 PHE CB C 65 39.512 38.689 0.823 1
1 776 . 10 1 1 A 65 65 PHE N N 65 120.975 118.232 2.743 1
1 777 . 10 1 1 A 66 66 GLN H H 66 8.021 8.389 -0.368 1
1 778 . 10 1 1 A 66 66 GLN HA H 66 3.957 3.937 0.020 1
1 785 . 10 1 1 A 66 66 GLN C C 66 179.066 179.480 -0.414 1
1 786 . 10 1 1 A 66 66 GLN CA C 66 59.426 59.394 0.032 1
1 787 . 10 1 1 A 66 66 GLN CB C 66 28.536 28.558 -0.022 1
1 789 . 10 1 1 A 66 66 GLN N N 66 117.887 117.790 0.097 1
1 791 . 10 1 1 A 67 67 ASN H H 67 8.807 8.067 0.740 1
1 792 . 10 1 1 A 67 67 ASN HA H 67 4.331 4.438 -0.107 1
1 797 . 10 1 1 A 67 67 ASN C C 67 177.775 177.899 -0.124 1
1 798 . 10 1 1 A 67 67 ASN CA C 67 55.461 56.079 -0.618 1
1 799 . 10 1 1 A 67 67 ASN CB C 67 37.718 38.361 -0.643 1
1 800 . 10 1 1 A 67 67 ASN N N 67 119.312 118.269 1.043 1
1 802 . 10 1 1 A 68 68 THR H H 68 8.092 7.685 0.407 1
1 803 . 10 1 1 A 68 68 THR HA H 68 3.262 3.436 -0.174 1
1 808 . 10 1 1 A 68 68 THR C C 68 175.972 176.187 -0.215 1
1 809 . 10 1 1 A 68 68 THR CA C 68 66.903 66.714 0.189 1
1 810 . 10 1 1 A 68 68 THR CB C 68 67.800 68.074 -0.274 1
1 812 . 10 1 1 A 68 68 THR N N 68 120.500 116.466 4.034 1
1 813 . 10 1 1 A 69 69 ARG H H 69 8.154 8.248 -0.094 1
1 814 . 10 1 1 A 69 69 ARG HA H 69 4.362 4.158 0.204 1
1 821 . 10 1 1 A 69 69 ARG C C 69 179.432 178.793 0.639 1
1 822 . 10 1 1 A 69 69 ARG CA C 69 59.805 59.906 -0.101 1
1 823 . 10 1 1 A 69 69 ARG CB C 69 31.490 30.220 1.270 1
1 826 . 10 1 1 A 69 69 ARG N N 69 121.451 119.558 1.893 1
1 827 . 10 1 1 A 70 70 ALA H H 70 7.686 8.228 -0.542 1
1 828 . 10 1 1 A 70 70 ALA HA H 70 4.107 4.075 0.032 1
1 832 . 10 1 1 A 70 70 ALA C C 70 179.724 180.050 -0.326 1
1 833 . 10 1 1 A 70 70 ALA CA C 70 54.512 54.936 -0.424 1
1 834 . 10 1 1 A 70 70 ALA CB C 70 18.187 18.561 -0.374 1
1 835 . 10 1 1 A 70 70 ALA N N 70 119.887 121.649 -1.762 1
1 836 . 10 1 1 A 71 71 ARG H H 71 7.588 7.840 -0.252 1
1 837 . 10 1 1 A 71 71 ARG HA H 71 4.073 4.094 -0.021 1
1 844 . 10 1 1 A 71 71 ARG C C 71 177.775 179.153 -1.378 1
1 845 . 10 1 1 A 71 71 ARG CA C 71 57.849 59.577 -1.728 1
1 846 . 10 1 1 A 71 71 ARG CB C 71 30.419 30.321 0.098 1
1 849 . 10 1 1 A 71 71 ARG N N 71 117.554 117.466 0.088 1
1 850 . 10 1 1 A 72 72 GLU H H 72 7.776 8.559 -0.783 1
1 851 . 10 1 1 A 72 72 GLU HA H 72 4.129 3.995 0.134 1
1 856 . 10 1 1 A 72 72 GLU C C 72 177.190 179.224 -2.034 1
1 857 . 10 1 1 A 72 72 GLU CA C 72 57.625 59.334 -1.709 1
1 858 . 10 1 1 A 72 72 GLU CB C 72 29.815 29.441 0.374 1
1 860 . 10 1 1 A 72 72 GLU N N 72 119.019 119.803 -0.784 1
1 861 . 10 1 1 A 73 73 ARG H H 73 7.956 8.670 -0.714 1
1 862 . 10 1 1 A 73 73 ARG HA H 73 4.228 4.106 0.122 1
1 869 . 10 1 1 A 73 73 ARG C C 73 176.581 176.645 -0.064 1
1 870 . 10 1 1 A 73 73 ARG CA C 73 56.773 58.908 -2.135 1
1 871 . 10 1 1 A 73 73 ARG CB C 73 30.254 29.916 0.338 1
1 874 . 10 1 1 A 73 73 ARG N N 73 119.948 118.876 1.072 1
1 875 . 10 1 1 A 74 74 LYS H H 74 8.155 7.397 0.758 1
1 876 . 10 1 1 A 74 74 LYS HA H 74 4.329 4.247 0.082 1
1 885 . 10 1 1 A 74 74 LYS C C 74 176.703 176.380 0.323 1
1 886 . 10 1 1 A 74 74 LYS CA C 74 56.458 55.950 0.508 1
1 887 . 10 1 1 A 74 74 LYS CB C 74 32.825 32.818 0.007 1
1 891 . 10 1 1 A 74 74 LYS N N 74 121.577 120.913 0.664 1
1 892 . 10 1 1 A 75 75 SER H H 75 8.246 8.509 -0.263 1
1 893 . 10 1 1 A 75 75 SER HA H 75 4.474 4.249 0.225 1
1 896 . 10 1 1 A 75 75 SER C C 75 174.486 174.622 -0.136 1
1 897 . 10 1 1 A 75 75 SER CA C 75 58.365 60.113 -1.748 1
1 898 . 10 1 1 A 75 75 SER CB C 75 63.967 63.401 0.566 1
1 899 . 10 1 1 A 75 75 SER N N 75 116.340 121.193 -4.853 1
1 900 . 10 1 1 A 76 76 GLY H H 76 8.205 8.457 -0.252 1
1 901 . 10 1 1 A 76 76 GLY HA2 H 76 4.118 4.146 -0.028 1
1 902 . 10 1 1 A 76 76 GLY HA3 H 76 4.118 4.148 -0.030 1
1 903 . 10 1 1 A 76 76 GLY C C 76 171.758 172.256 -0.498 1
1 904 . 10 1 1 A 76 76 GLY CA C 76 44.661 45.135 -0.474 1
1 905 . 10 1 1 A 76 76 GLY N N 76 110.555 110.639 -0.084 1
1 906 . 10 1 1 A 77 77 PRO HA H 77 4.450 4.641 -0.191 1
1 913 . 10 1 1 A 77 77 PRO C C 77 177.458 175.697 1.761 1
1 914 . 10 1 1 A 77 77 PRO CA C 77 63.249 62.768 0.481 1
1 915 . 10 1 1 A 77 77 PRO CB C 77 32.180 32.147 0.033 1
1 918 . 10 1 1 A 78 78 SER H H 78 8.525 8.538 -0.013 1
1 919 . 10 1 1 A 78 78 SER HA H 78 4.471 4.739 -0.268 1
1 922 . 10 1 1 A 78 78 SER C C 78 174.648 173.200 1.448 1
1 923 . 10 1 1 A 78 78 SER CA C 78 58.460 56.932 1.528 1
1 924 . 10 1 1 A 78 78 SER CB C 78 63.885 64.181 -0.296 1
1 925 . 10 1 1 A 78 78 SER N N 78 116.381 118.134 -1.753 1
1 926 . 10 1 1 A 79 79 SER H H 79 8.309 8.737 -0.428 1
1 927 . 10 1 1 A 79 79 SER HA H 79 4.457 4.732 -0.275 1
1 930 . 10 1 1 A 79 79 SER C C 79 173.925 174.533 -0.608 1
1 931 . 10 1 1 A 79 79 SER CA C 79 58.401 58.508 -0.107 1
1 932 . 10 1 1 A 79 79 SER CB C 79 64.132 63.732 0.400 1
1 933 . 10 1 1 A 79 79 SER N N 79 117.741 121.174 -3.433 1
1 1 . 11 1 1 A 8 8 GLY HA2 H 8 4.031 4.037 -0.006 1
1 2 . 11 1 1 A 8 8 GLY HA3 H 8 4.031 4.037 -0.006 1
1 3 . 11 1 1 A 8 8 GLY C C 8 174.729 174.485 0.244 1
1 4 . 11 1 1 A 8 8 GLY CA C 8 45.278 46.411 -1.133 1
1 5 . 11 1 1 A 9 9 THR H H 9 8.248 7.989 0.259 1
1 6 . 11 1 1 A 9 9 THR HA H 9 4.376 4.636 -0.260 1
1 11 . 11 1 1 A 9 9 THR C C 9 175.485 174.709 0.776 1
1 12 . 11 1 1 A 9 9 THR CA C 9 61.837 61.071 0.766 1
1 13 . 11 1 1 A 9 9 THR CB C 9 69.737 69.447 0.290 1
1 15 . 11 1 1 A 9 9 THR N N 9 112.908 116.443 -3.535 1
1 16 . 11 1 1 A 10 10 GLY H H 10 8.581 7.794 0.787 1
1 17 . 11 1 1 A 10 10 GLY HA2 H 10 3.985 4.011 -0.026 1
1 18 . 11 1 1 A 10 10 GLY HA3 H 10 3.985 4.012 -0.027 1
1 19 . 11 1 1 A 10 10 GLY C C 10 174.705 174.636 0.069 1
1 20 . 11 1 1 A 10 10 GLY CA C 10 45.455 45.201 0.254 1
1 21 . 11 1 1 A 10 10 GLY N N 10 111.487 108.800 2.687 1
1 22 . 11 1 1 A 11 11 GLY H H 11 8.286 8.308 -0.022 1
1 23 . 11 1 1 A 11 11 GLY HA2 H 11 3.958 3.938 0.020 1
1 24 . 11 1 1 A 11 11 GLY HA3 H 11 3.958 3.939 0.019 1
1 25 . 11 1 1 A 11 11 GLY C C 11 174.071 173.625 0.446 1
1 26 . 11 1 1 A 11 11 GLY CA C 11 45.101 45.319 -0.218 1
1 27 . 11 1 1 A 11 11 GLY N N 11 108.887 108.285 0.602 1
1 28 . 11 1 1 A 12 12 GLU H H 12 8.333 8.195 0.138 1
1 29 . 11 1 1 A 12 12 GLU HA H 12 4.271 5.111 -0.840 1
1 34 . 11 1 1 A 12 12 GLU C C 12 176.435 175.102 1.333 1
1 35 . 11 1 1 A 12 12 GLU CA C 12 56.278 54.806 1.472 1
1 36 . 11 1 1 A 12 12 GLU CB C 12 30.358 33.107 -2.749 1
1 38 . 11 1 1 A 12 12 GLU N N 12 120.407 117.510 2.897 1
1 39 . 11 1 1 A 13 13 GLU H H 13 8.546 8.660 -0.114 1
1 40 . 11 1 1 A 13 13 GLU HA H 13 4.521 4.879 -0.358 1
1 45 . 11 1 1 A 13 13 GLU C C 13 174.648 173.860 0.788 1
1 46 . 11 1 1 A 13 13 GLU CA C 13 54.687 53.110 1.577 1
1 47 . 11 1 1 A 13 13 GLU CB C 13 29.688 32.512 -2.824 1
1 49 . 11 1 1 A 13 13 GLU N N 13 123.832 120.471 3.361 1
1 50 . 11 1 1 A 14 14 PRO HA H 14 4.375 4.742 -0.367 1
1 57 . 11 1 1 A 14 14 PRO C C 14 177.117 176.629 0.488 1
1 58 . 11 1 1 A 14 14 PRO CA C 14 63.379 62.905 0.474 1
1 59 . 11 1 1 A 14 14 PRO CB C 14 32.003 31.593 0.410 1
1 62 . 11 1 1 A 15 15 GLN H H 15 8.543 8.237 0.306 1
1 63 . 11 1 1 A 15 15 GLN HA H 15 4.230 4.618 -0.388 1
1 70 . 11 1 1 A 15 15 GLN C C 15 176.459 175.058 1.401 1
1 71 . 11 1 1 A 15 15 GLN CA C 15 56.171 55.429 0.742 1
1 72 . 11 1 1 A 15 15 GLN CB C 15 28.935 28.776 0.159 1
1 74 . 11 1 1 A 15 15 GLN N N 15 120.153 119.057 1.096 1
1 76 . 11 1 1 A 16 16 ARG H H 16 8.337 8.536 -0.199 1
1 77 . 11 1 1 A 16 16 ARG HA H 16 4.219 5.131 -0.912 1
1 84 . 11 1 1 A 16 16 ARG C C 16 176.216 174.311 1.905 1
1 85 . 11 1 1 A 16 16 ARG CA C 16 56.809 54.834 1.975 1
1 86 . 11 1 1 A 16 16 ARG CB C 16 30.666 34.080 -3.414 1
1 89 . 11 1 1 A 16 16 ARG N N 16 122.090 122.947 -0.857 1
1 90 . 11 1 1 A 17 17 ASP H H 17 8.313 8.776 -0.463 1
1 91 . 11 1 1 A 17 17 ASP HA H 17 4.523 5.208 -0.685 1
1 94 . 11 1 1 A 17 17 ASP C C 17 176.727 175.506 1.221 1
1 95 . 11 1 1 A 17 17 ASP CA C 17 54.591 52.762 1.829 1
1 96 . 11 1 1 A 17 17 ASP CB C 17 41.097 41.877 -0.780 1
1 97 . 11 1 1 A 17 17 ASP N N 17 120.664 122.604 -1.940 1
1 98 . 11 1 1 A 18 18 LYS H H 18 8.276 9.019 -0.743 1
1 99 . 11 1 1 A 18 18 LYS HA H 18 4.175 4.413 -0.238 1
1 108 . 11 1 1 A 18 18 LYS C C 18 176.971 175.742 1.229 1
1 109 . 11 1 1 A 18 18 LYS CA C 18 56.971 57.435 -0.464 1
1 110 . 11 1 1 A 18 18 LYS CB C 18 32.562 33.815 -1.253 1
1 114 . 11 1 1 A 18 18 LYS N N 18 122.504 123.937 -1.433 1
1 115 . 11 1 1 A 19 19 ARG H H 19 8.240 7.701 0.539 1
1 116 . 11 1 1 A 19 19 ARG HA H 19 4.205 4.730 -0.525 1
1 123 . 11 1 1 A 19 19 ARG C C 19 176.532 175.072 1.460 1
1 124 . 11 1 1 A 19 19 ARG CA C 19 56.632 54.812 1.820 1
1 125 . 11 1 1 A 19 19 ARG CB C 19 30.647 32.528 -1.881 1
1 128 . 11 1 1 A 19 19 ARG N N 19 120.296 119.159 1.137 1
1 129 . 11 1 1 A 20 20 LEU H H 20 8.068 8.996 -0.928 1
1 130 . 11 1 1 A 20 20 LEU HA H 20 4.262 4.403 -0.141 1
1 140 . 11 1 1 A 20 20 LEU C C 20 177.288 176.599 0.689 1
1 141 . 11 1 1 A 20 20 LEU CA C 20 55.110 55.998 -0.888 1
1 142 . 11 1 1 A 20 20 LEU CB C 20 42.081 42.975 -0.894 1
1 146 . 11 1 1 A 20 20 LEU N N 20 121.867 128.458 -6.591 1
1 147 . 11 1 1 A 21 21 ARG H H 21 8.226 7.464 0.762 1
1 148 . 11 1 1 A 21 21 ARG HA H 21 4.413 4.642 -0.229 1
1 155 . 11 1 1 A 21 21 ARG C C 21 176.313 174.441 1.872 1
1 156 . 11 1 1 A 21 21 ARG CA C 21 56.194 55.610 0.584 1
1 157 . 11 1 1 A 21 21 ARG CB C 21 30.996 33.527 -2.531 1
1 160 . 11 1 1 A 21 21 ARG N N 21 121.612 114.949 6.663 1
1 161 . 11 1 1 A 22 22 THR H H 22 8.215 8.314 -0.099 1
1 162 . 11 1 1 A 22 22 THR HA H 22 4.405 4.760 -0.355 1
1 167 . 11 1 1 A 22 22 THR C C 22 174.169 173.515 0.654 1
1 168 . 11 1 1 A 22 22 THR CA C 22 61.963 60.690 1.273 1
1 169 . 11 1 1 A 22 22 THR CB C 22 69.779 68.792 0.987 1
1 171 . 11 1 1 A 22 22 THR N N 22 114.661 115.426 -0.765 1
1 172 . 11 1 1 A 23 23 THR H H 23 8.087 7.563 0.524 1
1 173 . 11 1 1 A 23 23 THR HA H 23 4.308 5.207 -0.899 1
1 178 . 11 1 1 A 23 23 THR C C 23 173.413 172.691 0.722 1
1 179 . 11 1 1 A 23 23 THR CA C 23 62.158 60.130 2.028 1
1 180 . 11 1 1 A 23 23 THR CB C 23 69.916 73.222 -3.306 1
1 182 . 11 1 1 A 23 23 THR N N 23 118.008 111.211 6.797 1
1 183 . 11 1 1 A 24 24 ILE H H 24 8.110 8.714 -0.604 1
1 184 . 11 1 1 A 24 24 ILE HA H 24 4.200 5.008 -0.808 1
1 194 . 11 1 1 A 24 24 ILE C C 24 176.654 175.625 1.029 1
1 195 . 11 1 1 A 24 24 ILE CA C 24 61.690 59.786 1.904 1
1 196 . 11 1 1 A 24 24 ILE CB C 24 39.487 41.724 -2.237 1
1 200 . 11 1 1 A 24 24 ILE N N 24 124.852 120.628 4.224 1
1 201 . 11 1 1 A 25 25 THR H H 25 9.023 8.452 0.571 1
1 202 . 11 1 1 A 25 25 THR HA H 25 4.564 4.972 -0.408 1
1 207 . 11 1 1 A 25 25 THR C C 25 173.433 174.247 -0.814 1
1 208 . 11 1 1 A 25 25 THR CA C 25 60.759 58.509 2.250 1
1 209 . 11 1 1 A 25 25 THR CB C 25 68.089 69.878 -1.789 1
1 211 . 11 1 1 A 25 25 THR N N 25 120.568 115.775 4.793 1
1 212 . 11 1 1 A 26 26 PRO HA H 26 4.172 4.560 -0.388 1
1 219 . 11 1 1 A 26 26 PRO C C 26 179.237 177.437 1.800 1
1 220 . 11 1 1 A 26 26 PRO CA C 26 65.917 64.466 1.451 1
1 221 . 11 1 1 A 26 26 PRO CB C 26 31.725 31.702 0.023 1
1 224 . 11 1 1 A 27 27 GLU H H 27 8.722 8.410 0.312 1
1 225 . 11 1 1 A 27 27 GLU HA H 27 4.006 4.283 -0.277 1
1 230 . 11 1 1 A 27 27 GLU C C 27 179.749 177.336 2.413 1
1 231 . 11 1 1 A 27 27 GLU CA C 27 60.353 57.614 2.739 1
1 232 . 11 1 1 A 27 27 GLU CB C 27 28.851 30.072 -1.221 1
1 234 . 11 1 1 A 27 27 GLU N N 27 117.087 117.478 -0.391 1
1 235 . 11 1 1 A 28 28 GLN H H 28 7.666 7.674 -0.008 1
1 236 . 11 1 1 A 28 28 GLN HA H 28 3.767 4.286 -0.519 1
1 243 . 11 1 1 A 28 28 GLN C C 28 177.872 178.030 -0.158 1
1 244 . 11 1 1 A 28 28 GLN CA C 28 58.821 57.348 1.473 1
1 245 . 11 1 1 A 28 28 GLN CB C 28 29.401 29.408 -0.007 1
1 247 . 11 1 1 A 28 28 GLN N N 28 119.298 117.719 1.579 1
1 249 . 11 1 1 A 29 29 LEU H H 29 8.453 8.008 0.445 1
1 250 . 11 1 1 A 29 29 LEU HA H 29 3.484 3.623 -0.139 1
1 260 . 11 1 1 A 29 29 LEU C C 29 178.092 178.697 -0.605 1
1 261 . 11 1 1 A 29 29 LEU CA C 29 57.737 57.629 0.108 1
1 262 . 11 1 1 A 29 29 LEU CB C 29 41.578 41.664 -0.086 1
1 266 . 11 1 1 A 29 29 LEU N N 29 120.145 120.929 -0.784 1
1 267 . 11 1 1 A 30 30 GLU H H 30 7.607 8.375 -0.768 1
1 268 . 11 1 1 A 30 30 GLU HA H 30 4.069 4.101 -0.032 1
1 273 . 11 1 1 A 30 30 GLU C C 30 179.140 179.407 -0.267 1
1 274 . 11 1 1 A 30 30 GLU CA C 30 59.334 59.679 -0.345 1
1 275 . 11 1 1 A 30 30 GLU CB C 30 29.512 29.367 0.145 1
1 277 . 11 1 1 A 30 30 GLU N N 30 116.903 116.589 0.314 1
1 278 . 11 1 1 A 31 31 ILE H H 31 7.070 7.726 -0.656 1
1 279 . 11 1 1 A 31 31 ILE HA H 31 3.692 3.691 0.001 1
1 289 . 11 1 1 A 31 31 ILE C C 31 178.287 178.642 -0.355 1
1 290 . 11 1 1 A 31 31 ILE CA C 31 64.416 65.571 -1.155 1
1 291 . 11 1 1 A 31 31 ILE CB C 31 37.777 37.685 0.092 1
1 295 . 11 1 1 A 31 31 ILE N N 31 118.947 120.823 -1.876 1
1 296 . 11 1 1 A 32 32 LEU H H 32 8.126 8.183 -0.057 1
1 297 . 11 1 1 A 32 32 LEU HA H 32 3.418 3.834 -0.416 1
1 307 . 11 1 1 A 32 32 LEU C C 32 178.311 178.900 -0.589 1
1 308 . 11 1 1 A 32 32 LEU CA C 32 58.497 57.896 0.601 1
1 309 . 11 1 1 A 32 32 LEU CB C 32 38.146 41.242 -3.096 1
1 313 . 11 1 1 A 32 32 LEU N N 32 120.437 119.279 1.158 1
1 314 . 11 1 1 A 33 33 TYR H H 33 8.312 8.496 -0.184 1
1 315 . 11 1 1 A 33 33 TYR HA H 33 4.358 4.588 -0.230 1
1 322 . 11 1 1 A 33 33 TYR C C 33 178.214 178.536 -0.322 1
1 323 . 11 1 1 A 33 33 TYR CA C 33 62.645 60.981 1.664 1
1 324 . 11 1 1 A 33 33 TYR CB C 33 37.807 37.974 -0.167 1
1 329 . 11 1 1 A 33 33 TYR N N 33 117.248 118.064 -0.816 1
1 330 . 11 1 1 A 34 34 GLN H H 34 7.750 8.489 -0.739 1
1 331 . 11 1 1 A 34 34 GLN HA H 34 3.967 3.935 0.032 1
1 338 . 11 1 1 A 34 34 GLN C C 34 180.065 179.176 0.889 1
1 339 . 11 1 1 A 34 34 GLN CA C 34 59.143 59.399 -0.256 1
1 340 . 11 1 1 A 34 34 GLN CB C 34 27.781 28.719 -0.938 1
1 342 . 11 1 1 A 34 34 GLN N N 34 117.509 118.238 -0.729 1
1 344 . 11 1 1 A 35 35 LYS H H 35 8.381 8.083 0.298 1
1 345 . 11 1 1 A 35 35 LYS HA H 35 4.132 4.227 -0.095 1
1 354 . 11 1 1 A 35 35 LYS C C 35 179.456 178.583 0.873 1
1 355 . 11 1 1 A 35 35 LYS CA C 35 57.839 58.637 -0.798 1
1 356 . 11 1 1 A 35 35 LYS CB C 35 31.487 32.440 -0.953 1
1 360 . 11 1 1 A 35 35 LYS N N 35 117.671 120.474 -2.803 1
1 361 . 11 1 1 A 36 36 TYR H H 36 9.036 8.377 0.659 1
1 362 . 11 1 1 A 36 36 TYR HA H 36 4.164 4.774 -0.610 1
1 369 . 11 1 1 A 36 36 TYR C C 36 176.630 177.566 -0.936 1
1 370 . 11 1 1 A 36 36 TYR CA C 36 61.726 61.424 0.302 1
1 371 . 11 1 1 A 36 36 TYR CB C 36 38.579 38.395 0.184 1
1 376 . 11 1 1 A 36 36 TYR N N 36 124.434 123.065 1.369 1
1 377 . 11 1 1 A 37 37 LEU H H 37 7.848 8.985 -1.137 1
1 378 . 11 1 1 A 37 37 LEU HA H 37 3.918 3.864 0.054 1
1 388 . 11 1 1 A 37 37 LEU C C 37 179.334 179.568 -0.234 1
1 389 . 11 1 1 A 37 37 LEU CA C 37 56.827 58.173 -1.346 1
1 390 . 11 1 1 A 37 37 LEU CB C 37 42.069 41.824 0.245 1
1 394 . 11 1 1 A 37 37 LEU N N 37 116.192 120.233 -4.041 1
1 395 . 11 1 1 A 38 38 LEU H H 38 7.230 7.317 -0.087 1
1 396 . 11 1 1 A 38 38 LEU HA H 38 4.150 4.226 -0.076 1
1 406 . 11 1 1 A 38 38 LEU C C 38 178.116 176.151 1.965 1
1 407 . 11 1 1 A 38 38 LEU CA C 38 56.915 56.918 -0.003 1
1 408 . 11 1 1 A 38 38 LEU CB C 38 42.336 42.223 0.113 1
1 412 . 11 1 1 A 38 38 LEU N N 38 118.422 113.364 5.058 1
1 413 . 11 1 1 A 39 39 ASP H H 39 7.543 8.233 -0.690 1
1 414 . 11 1 1 A 39 39 ASP HA H 39 4.364 4.932 -0.568 1
1 417 . 11 1 1 A 39 39 ASP C C 39 174.778 175.863 -1.085 1
1 418 . 11 1 1 A 39 39 ASP CA C 39 54.731 52.966 1.765 1
1 419 . 11 1 1 A 39 39 ASP CB C 39 41.134 42.207 -1.073 1
1 420 . 11 1 1 A 39 39 ASP N N 39 117.417 119.913 -2.496 1
1 421 . 11 1 1 A 40 40 SER H H 40 8.240 8.698 -0.458 1
1 422 . 11 1 1 A 40 40 SER HA H 40 3.984 4.622 -0.638 1
1 425 . 11 1 1 A 40 40 SER C C 40 174.169 174.319 -0.150 1
1 426 . 11 1 1 A 40 40 SER CA C 40 58.825 58.873 -0.048 1
1 427 . 11 1 1 A 40 40 SER CB C 40 63.964 63.814 0.150 1
1 428 . 11 1 1 A 40 40 SER N N 40 119.077 121.199 -2.122 1
1 429 . 11 1 1 A 41 41 ASN H H 41 8.711 8.086 0.625 1
1 430 . 11 1 1 A 41 41 ASN HA H 41 5.007 5.248 -0.241 1
1 435 . 11 1 1 A 41 41 ASN C C 41 171.078 172.350 -1.272 1
1 436 . 11 1 1 A 41 41 ASN CA C 41 51.291 50.844 0.447 1
1 437 . 11 1 1 A 41 41 ASN CB C 41 39.815 39.505 0.310 1
1 438 . 11 1 1 A 41 41 ASN N N 41 119.546 119.432 0.114 1
1 440 . 11 1 1 A 42 42 PRO HA H 42 4.408 4.682 -0.274 1
1 447 . 11 1 1 A 42 42 PRO C C 42 177.028 175.910 1.118 1
1 448 . 11 1 1 A 42 42 PRO CA C 42 62.678 62.529 0.149 1
1 449 . 11 1 1 A 42 42 PRO CB C 42 31.869 32.572 -0.703 1
1 452 . 11 1 1 A 43 43 THR H H 43 7.797 8.352 -0.555 1
1 453 . 11 1 1 A 43 43 THR HA H 43 4.205 4.670 -0.465 1
1 458 . 11 1 1 A 43 43 THR C C 43 174.729 175.328 -0.599 1
1 459 . 11 1 1 A 43 43 THR CA C 43 60.690 60.041 0.649 1
1 460 . 11 1 1 A 43 43 THR CB C 43 71.138 70.901 0.237 1
1 462 . 11 1 1 A 43 43 THR N N 43 111.399 116.294 -4.895 1
1 463 . 11 1 1 A 44 44 ARG H H 44 8.718 9.018 -0.300 1
1 464 . 11 1 1 A 44 44 ARG HA H 44 3.863 3.915 -0.052 1
1 471 . 11 1 1 A 44 44 ARG C C 44 178.384 178.669 -0.285 1
1 472 . 11 1 1 A 44 44 ARG CA C 44 60.014 60.042 -0.028 1
1 473 . 11 1 1 A 44 44 ARG CB C 44 29.512 29.863 -0.351 1
1 476 . 11 1 1 A 44 44 ARG N N 44 120.640 127.397 -6.757 1
1 477 . 11 1 1 A 45 45 LYS H H 45 8.142 7.815 0.327 1
1 478 . 11 1 1 A 45 45 LYS HA H 45 4.070 4.041 0.029 1
1 487 . 11 1 1 A 45 45 LYS C C 45 179.334 179.076 0.258 1
1 488 . 11 1 1 A 45 45 LYS CA C 45 59.170 59.303 -0.133 1
1 489 . 11 1 1 A 45 45 LYS CB C 45 32.457 32.242 0.215 1
1 493 . 11 1 1 A 45 45 LYS N N 45 117.851 119.698 -1.847 1
1 494 . 11 1 1 A 46 46 MET H H 46 7.560 8.268 -0.708 1
1 495 . 11 1 1 A 46 46 MET HA H 46 4.329 4.193 0.136 1
1 503 . 11 1 1 A 46 46 MET C C 46 178.774 178.722 0.052 1
1 504 . 11 1 1 A 46 46 MET CA C 46 57.799 58.453 -0.654 1
1 505 . 11 1 1 A 46 46 MET CB C 46 32.210 32.792 -0.582 1
1 508 . 11 1 1 A 46 46 MET N N 46 119.433 118.112 1.321 1
1 509 . 11 1 1 A 47 47 LEU H H 47 8.624 8.196 0.428 1
1 510 . 11 1 1 A 47 47 LEU HA H 47 3.758 3.766 -0.008 1
1 520 . 11 1 1 A 47 47 LEU C C 47 178.701 179.166 -0.465 1
1 521 . 11 1 1 A 47 47 LEU CA C 47 58.648 57.744 0.904 1
1 522 . 11 1 1 A 47 47 LEU CB C 47 42.248 41.547 0.701 1
1 526 . 11 1 1 A 47 47 LEU N N 47 120.980 119.609 1.371 1
1 527 . 11 1 1 A 48 48 ASP H H 48 7.891 8.019 -0.128 1
1 528 . 11 1 1 A 48 48 ASP HA H 48 4.275 4.346 -0.071 1
1 531 . 11 1 1 A 48 48 ASP C C 48 178.798 178.486 0.312 1
1 532 . 11 1 1 A 48 48 ASP CA C 48 57.662 57.368 0.294 1
1 533 . 11 1 1 A 48 48 ASP CB C 48 40.347 41.118 -0.771 1
1 534 . 11 1 1 A 48 48 ASP N N 48 119.025 120.069 -1.044 1
1 535 . 11 1 1 A 49 49 HIS H H 49 7.760 7.860 -0.100 1
1 536 . 11 1 1 A 49 49 HIS HA H 49 4.390 4.260 0.130 1
1 540 . 11 1 1 A 49 49 HIS C C 49 178.287 177.085 1.202 1
1 541 . 11 1 1 A 49 49 HIS CA C 49 59.930 60.029 -0.099 1
1 542 . 11 1 1 A 49 49 HIS CB C 49 30.348 30.124 0.224 1
1 544 . 11 1 1 A 49 49 HIS N N 49 120.629 119.194 1.435 1
1 545 . 11 1 1 A 50 50 ILE H H 50 8.934 8.294 0.640 1
1 546 . 11 1 1 A 50 50 ILE HA H 50 3.619 3.645 -0.026 1
1 556 . 11 1 1 A 50 50 ILE C C 50 177.410 178.254 -0.844 1
1 557 . 11 1 1 A 50 50 ILE CA C 50 65.779 65.669 0.110 1
1 558 . 11 1 1 A 50 50 ILE CB C 50 38.622 37.733 0.889 1
1 562 . 11 1 1 A 50 50 ILE N N 50 120.913 120.154 0.759 1
1 563 . 11 1 1 A 51 51 ALA H H 51 8.423 7.893 0.530 1
1 564 . 11 1 1 A 51 51 ALA HA H 51 3.859 4.120 -0.261 1
1 568 . 11 1 1 A 51 51 ALA C C 51 179.213 179.914 -0.701 1
1 569 . 11 1 1 A 51 51 ALA CA C 51 56.348 54.655 1.693 1
1 570 . 11 1 1 A 51 51 ALA CB C 51 17.292 17.995 -0.703 1
1 571 . 11 1 1 A 51 51 ALA N N 51 120.695 120.834 -0.139 1
1 572 . 11 1 1 A 52 52 HIS H H 52 7.735 8.095 -0.360 1
1 573 . 11 1 1 A 52 52 HIS HA H 52 4.273 4.199 0.074 1
1 577 . 11 1 1 A 52 52 HIS C C 52 177.799 177.201 0.598 1
1 578 . 11 1 1 A 52 52 HIS CA C 52 59.406 59.448 -0.042 1
1 579 . 11 1 1 A 52 52 HIS CB C 52 29.842 29.755 0.087 1
1 581 . 11 1 1 A 52 52 HIS N N 52 115.822 117.962 -2.140 1
1 582 . 11 1 1 A 53 53 GLU H H 53 8.299 8.400 -0.101 1
1 583 . 11 1 1 A 53 53 GLU HA H 53 3.842 4.033 -0.191 1
1 588 . 11 1 1 A 53 53 GLU C C 53 178.652 178.355 0.297 1
1 589 . 11 1 1 A 53 53 GLU CA C 53 59.434 59.352 0.082 1
1 590 . 11 1 1 A 53 53 GLU CB C 53 30.204 29.029 1.175 1
1 592 . 11 1 1 A 53 53 GLU N N 53 120.073 117.708 2.365 1
1 593 . 11 1 1 A 54 54 VAL H H 54 8.446 7.849 0.597 1
1 594 . 11 1 1 A 54 54 VAL HA H 54 4.150 4.012 0.138 1
1 602 . 11 1 1 A 54 54 VAL C C 54 175.899 176.960 -1.061 1
1 603 . 11 1 1 A 54 54 VAL CA C 54 62.001 64.369 -2.368 1
1 604 . 11 1 1 A 54 54 VAL CB C 54 33.000 31.824 1.176 1
1 607 . 11 1 1 A 54 54 VAL N N 54 112.194 118.729 -6.535 1
1 608 . 11 1 1 A 55 55 GLY H H 55 7.879 8.220 -0.341 1
1 609 . 11 1 1 A 55 55 GLY HA2 H 55 3.975 3.885 0.090 1
1 610 . 11 1 1 A 55 55 GLY HA3 H 55 3.814 3.916 -0.102 1
1 611 . 11 1 1 A 55 55 GLY C C 55 174.461 174.044 0.417 1
1 612 . 11 1 1 A 55 55 GLY CA C 55 46.551 46.387 0.164 1
1 613 . 11 1 1 A 55 55 GLY N N 55 111.306 109.448 1.858 1
1 614 . 11 1 1 A 56 56 LEU H H 56 7.766 7.428 0.338 1
1 615 . 11 1 1 A 56 56 LEU HA H 56 4.825 4.811 0.014 1
1 625 . 11 1 1 A 56 56 LEU C C 56 175.704 175.598 0.106 1
1 626 . 11 1 1 A 56 56 LEU CA C 56 52.223 53.364 -1.141 1
1 627 . 11 1 1 A 56 56 LEU CB C 56 47.913 45.840 2.073 1
1 631 . 11 1 1 A 56 56 LEU N N 56 119.685 121.045 -1.360 1
1 632 . 11 1 1 A 57 57 LYS H H 57 8.268 8.422 -0.154 1
1 633 . 11 1 1 A 57 57 LYS HA H 57 4.212 4.138 0.074 1
1 642 . 11 1 1 A 57 57 LYS C C 57 178.555 177.648 0.907 1
1 643 . 11 1 1 A 57 57 LYS CA C 57 56.375 57.230 -0.855 1
1 644 . 11 1 1 A 57 57 LYS CB C 57 32.750 32.478 0.272 1
1 648 . 11 1 1 A 57 57 LYS N N 57 118.380 124.813 -6.433 1
1 649 . 11 1 1 A 58 58 LYS H H 58 8.853 8.983 -0.130 1
1 650 . 11 1 1 A 58 58 LYS HA H 58 3.670 3.802 -0.132 1
1 659 . 11 1 1 A 58 58 LYS C C 58 178.652 178.188 0.464 1
1 660 . 11 1 1 A 58 58 LYS CA C 58 61.026 60.473 0.553 1
1 661 . 11 1 1 A 58 58 LYS CB C 58 31.655 32.214 -0.559 1
1 665 . 11 1 1 A 58 58 LYS N N 58 123.883 126.911 -3.028 1
1 666 . 11 1 1 A 59 59 ARG H H 59 8.834 7.668 1.166 1
1 667 . 11 1 1 A 59 59 ARG HA H 59 4.120 4.125 -0.005 1
1 674 . 11 1 1 A 59 59 ARG C C 59 177.872 178.830 -0.958 1
1 675 . 11 1 1 A 59 59 ARG CA C 59 58.851 58.912 -0.061 1
1 676 . 11 1 1 A 59 59 ARG CB C 59 29.832 29.794 0.038 1
1 679 . 11 1 1 A 59 59 ARG N N 59 117.315 119.480 -2.165 1
1 680 . 11 1 1 A 60 60 VAL H H 60 6.892 8.093 -1.201 1
1 681 . 11 1 1 A 60 60 VAL HA H 60 3.677 3.795 -0.118 1
1 689 . 11 1 1 A 60 60 VAL C C 60 178.701 178.636 0.065 1
1 690 . 11 1 1 A 60 60 VAL CA C 60 65.741 66.110 -0.369 1
1 691 . 11 1 1 A 60 60 VAL CB C 60 31.520 31.642 -0.122 1
1 694 . 11 1 1 A 60 60 VAL N N 60 117.560 119.784 -2.224 1
1 695 . 11 1 1 A 61 61 VAL H H 61 7.394 8.173 -0.779 1
1 696 . 11 1 1 A 61 61 VAL HA H 61 3.647 3.707 -0.060 1
1 704 . 11 1 1 A 61 61 VAL C C 61 177.385 178.360 -0.975 1
1 705 . 11 1 1 A 61 61 VAL CA C 61 67.232 66.809 0.423 1
1 706 . 11 1 1 A 61 61 VAL CB C 61 32.125 31.568 0.557 1
1 709 . 11 1 1 A 61 61 VAL N N 61 119.625 120.998 -1.373 1
1 710 . 11 1 1 A 62 62 GLN H H 62 8.681 8.358 0.323 1
1 711 . 11 1 1 A 62 62 GLN HA H 62 4.047 3.970 0.077 1
1 718 . 11 1 1 A 62 62 GLN C C 62 178.798 178.449 0.349 1
1 719 . 11 1 1 A 62 62 GLN CA C 62 60.169 58.999 1.170 1
1 720 . 11 1 1 A 62 62 GLN CB C 62 28.935 28.433 0.502 1
1 722 . 11 1 1 A 62 62 GLN N N 62 119.803 120.254 -0.451 1
1 724 . 11 1 1 A 63 63 VAL H H 63 8.279 8.256 0.023 1
1 725 . 11 1 1 A 63 63 VAL HA H 63 3.703 3.743 -0.040 1
1 733 . 11 1 1 A 63 63 VAL C C 63 177.263 178.384 -1.121 1
1 734 . 11 1 1 A 63 63 VAL CA C 63 66.384 66.292 0.092 1
1 735 . 11 1 1 A 63 63 VAL CB C 63 31.983 31.954 0.029 1
1 738 . 11 1 1 A 63 63 VAL N N 63 120.104 119.025 1.079 1
1 739 . 11 1 1 A 64 64 TRP H H 64 8.376 8.402 -0.026 1
1 740 . 11 1 1 A 64 64 TRP HA H 64 4.015 4.167 -0.152 1
1 749 . 11 1 1 A 64 64 TRP C C 64 180.309 178.610 1.699 1
1 750 . 11 1 1 A 64 64 TRP CA C 64 63.421 61.105 2.316 1
1 751 . 11 1 1 A 64 64 TRP CB C 64 28.382 29.775 -1.393 1
1 757 . 11 1 1 A 64 64 TRP N N 64 122.121 121.692 0.429 1
1 759 . 11 1 1 A 65 65 PHE H H 65 9.032 7.955 1.077 1
1 760 . 11 1 1 A 65 65 PHE HA H 65 3.662 4.051 -0.389 1
1 768 . 11 1 1 A 65 65 PHE C C 65 178.214 178.355 -0.141 1
1 769 . 11 1 1 A 65 65 PHE CA C 65 63.919 62.220 1.699 1
1 770 . 11 1 1 A 65 65 PHE CB C 65 39.512 38.580 0.932 1
1 776 . 11 1 1 A 65 65 PHE N N 65 120.975 118.108 2.867 1
1 777 . 11 1 1 A 66 66 GLN H H 66 8.021 8.294 -0.273 1
1 778 . 11 1 1 A 66 66 GLN HA H 66 3.957 3.896 0.061 1
1 785 . 11 1 1 A 66 66 GLN C C 66 179.066 179.244 -0.178 1
1 786 . 11 1 1 A 66 66 GLN CA C 66 59.426 59.353 0.073 1
1 787 . 11 1 1 A 66 66 GLN CB C 66 28.536 28.438 0.098 1
1 789 . 11 1 1 A 66 66 GLN N N 66 117.887 117.660 0.227 1
1 791 . 11 1 1 A 67 67 ASN H H 67 8.807 8.035 0.772 1
1 792 . 11 1 1 A 67 67 ASN HA H 67 4.331 4.369 -0.038 1
1 797 . 11 1 1 A 67 67 ASN C C 67 177.775 177.744 0.031 1
1 798 . 11 1 1 A 67 67 ASN CA C 67 55.461 56.048 -0.587 1
1 799 . 11 1 1 A 67 67 ASN CB C 67 37.718 37.995 -0.277 1
1 800 . 11 1 1 A 67 67 ASN N N 67 119.312 118.153 1.159 1
1 802 . 11 1 1 A 68 68 THR H H 68 8.092 7.379 0.713 1
1 803 . 11 1 1 A 68 68 THR HA H 68 3.262 3.399 -0.137 1
1 808 . 11 1 1 A 68 68 THR C C 68 175.972 176.213 -0.241 1
1 809 . 11 1 1 A 68 68 THR CA C 68 66.903 67.014 -0.111 1
1 810 . 11 1 1 A 68 68 THR CB C 68 67.800 67.782 0.018 1
1 812 . 11 1 1 A 68 68 THR N N 68 120.500 116.342 4.158 1
1 813 . 11 1 1 A 69 69 ARG H H 69 8.154 8.143 0.011 1
1 814 . 11 1 1 A 69 69 ARG HA H 69 4.362 4.237 0.125 1
1 821 . 11 1 1 A 69 69 ARG C C 69 179.432 178.671 0.761 1
1 822 . 11 1 1 A 69 69 ARG CA C 69 59.805 60.002 -0.197 1
1 823 . 11 1 1 A 69 69 ARG CB C 69 31.490 30.284 1.206 1
1 826 . 11 1 1 A 69 69 ARG N N 69 121.451 119.367 2.084 1
1 827 . 11 1 1 A 70 70 ALA H H 70 7.686 8.308 -0.622 1
1 828 . 11 1 1 A 70 70 ALA HA H 70 4.107 4.068 0.039 1
1 832 . 11 1 1 A 70 70 ALA C C 70 179.724 179.591 0.133 1
1 833 . 11 1 1 A 70 70 ALA CA C 70 54.512 55.220 -0.708 1
1 834 . 11 1 1 A 70 70 ALA CB C 70 18.187 18.038 0.149 1
1 835 . 11 1 1 A 70 70 ALA N N 70 119.887 121.634 -1.747 1
1 836 . 11 1 1 A 71 71 ARG H H 71 7.588 8.241 -0.653 1
1 837 . 11 1 1 A 71 71 ARG HA H 71 4.073 3.950 0.123 1
1 844 . 11 1 1 A 71 71 ARG C C 71 177.775 179.313 -1.538 1
1 845 . 11 1 1 A 71 71 ARG CA C 71 57.849 59.746 -1.897 1
1 846 . 11 1 1 A 71 71 ARG CB C 71 30.419 30.067 0.352 1
1 849 . 11 1 1 A 71 71 ARG N N 71 117.554 117.657 -0.103 1
1 850 . 11 1 1 A 72 72 GLU H H 72 7.776 8.690 -0.914 1
1 851 . 11 1 1 A 72 72 GLU HA H 72 4.129 3.965 0.164 1
1 856 . 11 1 1 A 72 72 GLU C C 72 177.190 179.638 -2.448 1
1 857 . 11 1 1 A 72 72 GLU CA C 72 57.625 59.408 -1.783 1
1 858 . 11 1 1 A 72 72 GLU CB C 72 29.815 29.315 0.500 1
1 860 . 11 1 1 A 72 72 GLU N N 72 119.019 119.718 -0.699 1
1 861 . 11 1 1 A 73 73 ARG H H 73 7.956 7.481 0.475 1
1 862 . 11 1 1 A 73 73 ARG HA H 73 4.228 4.154 0.074 1
1 869 . 11 1 1 A 73 73 ARG C C 73 176.581 178.569 -1.988 1
1 870 . 11 1 1 A 73 73 ARG CA C 73 56.773 59.274 -2.501 1
1 871 . 11 1 1 A 73 73 ARG CB C 73 30.254 30.116 0.138 1
1 874 . 11 1 1 A 73 73 ARG N N 73 119.948 119.726 0.222 1
1 875 . 11 1 1 A 74 74 LYS H H 74 8.155 7.702 0.453 1
1 876 . 11 1 1 A 74 74 LYS HA H 74 4.329 4.079 0.250 1
1 885 . 11 1 1 A 74 74 LYS C C 74 176.703 176.053 0.650 1
1 886 . 11 1 1 A 74 74 LYS CA C 74 56.458 58.957 -2.499 1
1 887 . 11 1 1 A 74 74 LYS CB C 74 32.825 32.507 0.318 1
1 891 . 11 1 1 A 74 74 LYS N N 74 121.577 120.301 1.276 1
1 892 . 11 1 1 A 75 75 SER H H 75 8.246 7.709 0.537 1
1 893 . 11 1 1 A 75 75 SER HA H 75 4.474 4.784 -0.310 1
1 896 . 11 1 1 A 75 75 SER C C 75 174.486 173.105 1.381 1
1 897 . 11 1 1 A 75 75 SER CA C 75 58.365 56.730 1.635 1
1 898 . 11 1 1 A 75 75 SER CB C 75 63.967 65.404 -1.437 1
1 899 . 11 1 1 A 75 75 SER N N 75 116.340 113.028 3.312 1
1 900 . 11 1 1 A 76 76 GLY H H 76 8.205 8.710 -0.505 1
1 901 . 11 1 1 A 76 76 GLY HA2 H 76 4.118 4.306 -0.188 1
1 902 . 11 1 1 A 76 76 GLY HA3 H 76 4.118 4.307 -0.189 1
1 903 . 11 1 1 A 76 76 GLY C C 76 171.758 171.452 0.306 1
1 904 . 11 1 1 A 76 76 GLY CA C 76 44.661 44.984 -0.323 1
1 905 . 11 1 1 A 76 76 GLY N N 76 110.555 113.106 -2.551 1
1 906 . 11 1 1 A 77 77 PRO HA H 77 4.450 4.591 -0.141 1
1 913 . 11 1 1 A 77 77 PRO C C 77 177.458 177.095 0.363 1
1 914 . 11 1 1 A 77 77 PRO CA C 77 63.249 62.856 0.393 1
1 915 . 11 1 1 A 77 77 PRO CB C 77 32.180 31.663 0.517 1
1 918 . 11 1 1 A 78 78 SER H H 78 8.525 8.307 0.218 1
1 919 . 11 1 1 A 78 78 SER HA H 78 4.471 4.590 -0.119 1
1 922 . 11 1 1 A 78 78 SER C C 78 174.648 174.718 -0.070 1
1 923 . 11 1 1 A 78 78 SER CA C 78 58.460 59.934 -1.474 1
1 924 . 11 1 1 A 78 78 SER CB C 78 63.885 63.887 -0.002 1
1 925 . 11 1 1 A 78 78 SER N N 78 116.381 119.686 -3.305 1
1 926 . 11 1 1 A 79 79 SER H H 79 8.309 8.425 -0.116 1
1 927 . 11 1 1 A 79 79 SER HA H 79 4.457 5.228 -0.771 1
1 930 . 11 1 1 A 79 79 SER C C 79 173.925 174.032 -0.107 1
1 931 . 11 1 1 A 79 79 SER CA C 79 58.401 56.967 1.434 1
1 932 . 11 1 1 A 79 79 SER CB C 79 64.132 66.906 -2.774 1
1 933 . 11 1 1 A 79 79 SER N N 79 117.741 119.203 -1.462 1
1 1 . 12 1 1 A 8 8 GLY HA2 H 8 4.031 4.222 -0.191 1
1 2 . 12 1 1 A 8 8 GLY HA3 H 8 4.031 4.222 -0.191 1
1 3 . 12 1 1 A 8 8 GLY C C 8 174.729 172.096 2.633 1
1 4 . 12 1 1 A 8 8 GLY CA C 8 45.278 45.818 -0.540 1
1 5 . 12 1 1 A 9 9 THR H H 9 8.248 8.095 0.153 1
1 6 . 12 1 1 A 9 9 THR HA H 9 4.376 4.877 -0.501 1
1 11 . 12 1 1 A 9 9 THR C C 9 175.485 172.944 2.541 1
1 12 . 12 1 1 A 9 9 THR CA C 9 61.837 60.520 1.317 1
1 13 . 12 1 1 A 9 9 THR CB C 9 69.737 70.981 -1.244 1
1 15 . 12 1 1 A 9 9 THR N N 9 112.908 115.403 -2.495 1
1 16 . 12 1 1 A 10 10 GLY H H 10 8.581 8.279 0.302 1
1 17 . 12 1 1 A 10 10 GLY HA2 H 10 3.985 4.008 -0.023 1
1 18 . 12 1 1 A 10 10 GLY HA3 H 10 3.985 4.009 -0.024 1
1 19 . 12 1 1 A 10 10 GLY C C 10 174.705 175.226 -0.521 1
1 20 . 12 1 1 A 10 10 GLY CA C 10 45.455 45.733 -0.278 1
1 21 . 12 1 1 A 10 10 GLY N N 10 111.487 113.300 -1.813 1
1 22 . 12 1 1 A 11 11 GLY H H 11 8.286 8.053 0.233 1
1 23 . 12 1 1 A 11 11 GLY HA2 H 11 3.958 4.094 -0.136 1
1 24 . 12 1 1 A 11 11 GLY HA3 H 11 3.958 4.095 -0.137 1
1 25 . 12 1 1 A 11 11 GLY C C 11 174.071 174.085 -0.014 1
1 26 . 12 1 1 A 11 11 GLY CA C 11 45.101 44.724 0.377 1
1 27 . 12 1 1 A 11 11 GLY N N 11 108.887 107.178 1.709 1
1 28 . 12 1 1 A 12 12 GLU H H 12 8.333 8.473 -0.140 1
1 29 . 12 1 1 A 12 12 GLU HA H 12 4.271 4.196 0.075 1
1 34 . 12 1 1 A 12 12 GLU C C 12 176.435 176.160 0.275 1
1 35 . 12 1 1 A 12 12 GLU CA C 12 56.278 57.433 -1.155 1
1 36 . 12 1 1 A 12 12 GLU CB C 12 30.358 30.354 0.004 1
1 38 . 12 1 1 A 12 12 GLU N N 12 120.407 123.429 -3.022 1
1 39 . 12 1 1 A 13 13 GLU H H 13 8.546 8.659 -0.113 1
1 40 . 12 1 1 A 13 13 GLU HA H 13 4.521 4.630 -0.109 1
1 45 . 12 1 1 A 13 13 GLU C C 13 174.648 174.567 0.081 1
1 46 . 12 1 1 A 13 13 GLU CA C 13 54.687 54.660 0.027 1
1 47 . 12 1 1 A 13 13 GLU CB C 13 29.688 28.698 0.990 1
1 49 . 12 1 1 A 13 13 GLU N N 13 123.832 122.496 1.336 1
1 50 . 12 1 1 A 14 14 PRO HA H 14 4.375 4.658 -0.283 1
1 57 . 12 1 1 A 14 14 PRO C C 14 177.117 176.771 0.346 1
1 58 . 12 1 1 A 14 14 PRO CA C 14 63.379 62.817 0.562 1
1 59 . 12 1 1 A 14 14 PRO CB C 14 32.003 31.877 0.126 1
1 62 . 12 1 1 A 15 15 GLN H H 15 8.543 8.837 -0.294 1
1 63 . 12 1 1 A 15 15 GLN HA H 15 4.230 4.368 -0.138 1
1 70 . 12 1 1 A 15 15 GLN C C 15 176.459 176.700 -0.241 1
1 71 . 12 1 1 A 15 15 GLN CA C 15 56.171 58.834 -2.663 1
1 72 . 12 1 1 A 15 15 GLN CB C 15 28.935 29.381 -0.446 1
1 74 . 12 1 1 A 15 15 GLN N N 15 120.153 120.636 -0.483 1
1 76 . 12 1 1 A 16 16 ARG H H 16 8.337 7.687 0.650 1
1 77 . 12 1 1 A 16 16 ARG HA H 16 4.219 4.250 -0.031 1
1 84 . 12 1 1 A 16 16 ARG C C 16 176.216 175.172 1.044 1
1 85 . 12 1 1 A 16 16 ARG CA C 16 56.809 56.281 0.528 1
1 86 . 12 1 1 A 16 16 ARG CB C 16 30.666 30.370 0.296 1
1 89 . 12 1 1 A 16 16 ARG N N 16 122.090 119.392 2.698 1
1 90 . 12 1 1 A 17 17 ASP H H 17 8.313 8.172 0.141 1
1 91 . 12 1 1 A 17 17 ASP HA H 17 4.523 5.122 -0.599 1
1 94 . 12 1 1 A 17 17 ASP C C 17 176.727 175.525 1.202 1
1 95 . 12 1 1 A 17 17 ASP CA C 17 54.591 53.315 1.276 1
1 96 . 12 1 1 A 17 17 ASP CB C 17 41.097 42.380 -1.283 1
1 97 . 12 1 1 A 17 17 ASP N N 17 120.664 126.795 -6.131 1
1 98 . 12 1 1 A 18 18 LYS H H 18 8.276 8.961 -0.685 1
1 99 . 12 1 1 A 18 18 LYS HA H 18 4.175 4.539 -0.364 1
1 108 . 12 1 1 A 18 18 LYS C C 18 176.971 176.493 0.478 1
1 109 . 12 1 1 A 18 18 LYS CA C 18 56.971 57.233 -0.262 1
1 110 . 12 1 1 A 18 18 LYS CB C 18 32.562 34.688 -2.126 1
1 114 . 12 1 1 A 18 18 LYS N N 18 122.504 120.941 1.563 1
1 115 . 12 1 1 A 19 19 ARG H H 19 8.240 7.810 0.430 1
1 116 . 12 1 1 A 19 19 ARG HA H 19 4.205 4.814 -0.609 1
1 123 . 12 1 1 A 19 19 ARG C C 19 176.532 174.959 1.573 1
1 124 . 12 1 1 A 19 19 ARG CA C 19 56.632 55.119 1.513 1
1 125 . 12 1 1 A 19 19 ARG CB C 19 30.647 31.418 -0.771 1
1 128 . 12 1 1 A 19 19 ARG N N 19 120.296 118.911 1.385 1
1 129 . 12 1 1 A 20 20 LEU H H 20 8.068 8.673 -0.605 1
1 130 . 12 1 1 A 20 20 LEU HA H 20 4.262 4.794 -0.532 1
1 140 . 12 1 1 A 20 20 LEU C C 20 177.288 175.527 1.761 1
1 141 . 12 1 1 A 20 20 LEU CA C 20 55.110 54.100 1.010 1
1 142 . 12 1 1 A 20 20 LEU CB C 20 42.081 45.448 -3.367 1
1 146 . 12 1 1 A 20 20 LEU N N 20 121.867 127.751 -5.884 1
1 147 . 12 1 1 A 21 21 ARG H H 21 8.226 8.568 -0.342 1
1 148 . 12 1 1 A 21 21 ARG HA H 21 4.413 4.262 0.151 1
1 155 . 12 1 1 A 21 21 ARG C C 21 176.313 177.257 -0.944 1
1 156 . 12 1 1 A 21 21 ARG CA C 21 56.194 57.319 -1.125 1
1 157 . 12 1 1 A 21 21 ARG CB C 21 30.996 30.858 0.138 1
1 160 . 12 1 1 A 21 21 ARG N N 21 121.612 126.365 -4.753 1
1 161 . 12 1 1 A 22 22 THR H H 22 8.215 8.663 -0.448 1
1 162 . 12 1 1 A 22 22 THR HA H 22 4.405 4.313 0.092 1
1 167 . 12 1 1 A 22 22 THR C C 22 174.169 175.101 -0.932 1
1 168 . 12 1 1 A 22 22 THR CA C 22 61.963 63.699 -1.736 1
1 169 . 12 1 1 A 22 22 THR CB C 22 69.779 69.450 0.329 1
1 171 . 12 1 1 A 22 22 THR N N 22 114.661 114.285 0.376 1
1 172 . 12 1 1 A 23 23 THR H H 23 8.087 7.483 0.604 1
1 173 . 12 1 1 A 23 23 THR HA H 23 4.308 4.328 -0.020 1
1 178 . 12 1 1 A 23 23 THR C C 23 173.413 173.697 -0.284 1
1 179 . 12 1 1 A 23 23 THR CA C 23 62.158 61.950 0.208 1
1 180 . 12 1 1 A 23 23 THR CB C 23 69.916 70.303 -0.387 1
1 182 . 12 1 1 A 23 23 THR N N 23 118.008 114.326 3.682 1
1 183 . 12 1 1 A 24 24 ILE H H 24 8.110 8.204 -0.094 1
1 184 . 12 1 1 A 24 24 ILE HA H 24 4.200 5.020 -0.820 1
1 194 . 12 1 1 A 24 24 ILE C C 24 176.654 175.894 0.760 1
1 195 . 12 1 1 A 24 24 ILE CA C 24 61.690 59.481 2.209 1
1 196 . 12 1 1 A 24 24 ILE CB C 24 39.487 41.088 -1.601 1
1 200 . 12 1 1 A 24 24 ILE N N 24 124.852 121.066 3.786 1
1 201 . 12 1 1 A 25 25 THR H H 25 9.023 8.432 0.591 1
1 202 . 12 1 1 A 25 25 THR HA H 25 4.564 4.972 -0.408 1
1 207 . 12 1 1 A 25 25 THR C C 25 173.433 174.231 -0.798 1
1 208 . 12 1 1 A 25 25 THR CA C 25 60.759 58.528 2.231 1
1 209 . 12 1 1 A 25 25 THR CB C 25 68.089 69.846 -1.757 1
1 211 . 12 1 1 A 25 25 THR N N 25 120.568 115.559 5.009 1
1 212 . 12 1 1 A 26 26 PRO HA H 26 4.172 4.565 -0.393 1
1 219 . 12 1 1 A 26 26 PRO C C 26 179.237 177.480 1.757 1
1 220 . 12 1 1 A 26 26 PRO CA C 26 65.917 64.472 1.445 1
1 221 . 12 1 1 A 26 26 PRO CB C 26 31.725 31.733 -0.008 1
1 224 . 12 1 1 A 27 27 GLU H H 27 8.722 8.448 0.274 1
1 225 . 12 1 1 A 27 27 GLU HA H 27 4.006 4.301 -0.295 1
1 230 . 12 1 1 A 27 27 GLU C C 27 179.749 177.274 2.475 1
1 231 . 12 1 1 A 27 27 GLU CA C 27 60.353 57.349 3.004 1
1 232 . 12 1 1 A 27 27 GLU CB C 27 28.851 30.004 -1.153 1
1 234 . 12 1 1 A 27 27 GLU N N 27 117.087 117.468 -0.381 1
1 235 . 12 1 1 A 28 28 GLN H H 28 7.666 7.690 -0.024 1
1 236 . 12 1 1 A 28 28 GLN HA H 28 3.767 4.265 -0.498 1
1 243 . 12 1 1 A 28 28 GLN C C 28 177.872 177.987 -0.115 1
1 244 . 12 1 1 A 28 28 GLN CA C 28 58.821 57.482 1.339 1
1 245 . 12 1 1 A 28 28 GLN CB C 28 29.401 29.421 -0.020 1
1 247 . 12 1 1 A 28 28 GLN N N 28 119.298 117.672 1.626 1
1 249 . 12 1 1 A 29 29 LEU H H 29 8.453 7.943 0.510 1
1 250 . 12 1 1 A 29 29 LEU HA H 29 3.484 3.597 -0.113 1
1 260 . 12 1 1 A 29 29 LEU C C 29 178.092 178.660 -0.568 1
1 261 . 12 1 1 A 29 29 LEU CA C 29 57.737 57.642 0.095 1
1 262 . 12 1 1 A 29 29 LEU CB C 29 41.578 41.636 -0.058 1
1 266 . 12 1 1 A 29 29 LEU N N 29 120.145 120.707 -0.562 1
1 267 . 12 1 1 A 30 30 GLU H H 30 7.607 8.317 -0.710 1
1 268 . 12 1 1 A 30 30 GLU HA H 30 4.069 4.104 -0.035 1
1 273 . 12 1 1 A 30 30 GLU C C 30 179.140 179.312 -0.172 1
1 274 . 12 1 1 A 30 30 GLU CA C 30 59.334 59.687 -0.353 1
1 275 . 12 1 1 A 30 30 GLU CB C 30 29.512 29.506 0.006 1
1 277 . 12 1 1 A 30 30 GLU N N 30 116.903 116.657 0.246 1
1 278 . 12 1 1 A 31 31 ILE H H 31 7.070 7.763 -0.693 1
1 279 . 12 1 1 A 31 31 ILE HA H 31 3.692 3.679 0.013 1
1 289 . 12 1 1 A 31 31 ILE C C 31 178.287 178.592 -0.305 1
1 290 . 12 1 1 A 31 31 ILE CA C 31 64.416 65.811 -1.395 1
1 291 . 12 1 1 A 31 31 ILE CB C 31 37.777 37.995 -0.218 1
1 295 . 12 1 1 A 31 31 ILE N N 31 118.947 120.914 -1.967 1
1 296 . 12 1 1 A 32 32 LEU H H 32 8.126 8.087 0.039 1
1 297 . 12 1 1 A 32 32 LEU HA H 32 3.418 3.717 -0.299 1
1 307 . 12 1 1 A 32 32 LEU C C 32 178.311 178.756 -0.445 1
1 308 . 12 1 1 A 32 32 LEU CA C 32 58.497 57.826 0.671 1
1 309 . 12 1 1 A 32 32 LEU CB C 32 38.146 41.154 -3.008 1
1 313 . 12 1 1 A 32 32 LEU N N 32 120.437 119.127 1.310 1
1 314 . 12 1 1 A 33 33 TYR H H 33 8.312 8.409 -0.097 1
1 315 . 12 1 1 A 33 33 TYR HA H 33 4.358 4.593 -0.235 1
1 322 . 12 1 1 A 33 33 TYR C C 33 178.214 178.508 -0.294 1
1 323 . 12 1 1 A 33 33 TYR CA C 33 62.645 60.907 1.738 1
1 324 . 12 1 1 A 33 33 TYR CB C 33 37.807 37.919 -0.112 1
1 329 . 12 1 1 A 33 33 TYR N N 33 117.248 117.856 -0.608 1
1 330 . 12 1 1 A 34 34 GLN H H 34 7.750 8.603 -0.853 1
1 331 . 12 1 1 A 34 34 GLN HA H 34 3.967 3.933 0.034 1
1 338 . 12 1 1 A 34 34 GLN C C 34 180.065 179.177 0.888 1
1 339 . 12 1 1 A 34 34 GLN CA C 34 59.143 59.376 -0.233 1
1 340 . 12 1 1 A 34 34 GLN CB C 34 27.781 28.590 -0.809 1
1 342 . 12 1 1 A 34 34 GLN N N 34 117.509 118.185 -0.676 1
1 344 . 12 1 1 A 35 35 LYS H H 35 8.381 7.879 0.502 1
1 345 . 12 1 1 A 35 35 LYS HA H 35 4.132 4.214 -0.082 1
1 354 . 12 1 1 A 35 35 LYS C C 35 179.456 178.636 0.820 1
1 355 . 12 1 1 A 35 35 LYS CA C 35 57.839 58.529 -0.690 1
1 356 . 12 1 1 A 35 35 LYS CB C 35 31.487 32.552 -1.065 1
1 360 . 12 1 1 A 35 35 LYS N N 35 117.671 120.382 -2.711 1
1 361 . 12 1 1 A 36 36 TYR H H 36 9.036 8.458 0.578 1
1 362 . 12 1 1 A 36 36 TYR HA H 36 4.164 4.873 -0.709 1
1 369 . 12 1 1 A 36 36 TYR C C 36 176.630 177.591 -0.961 1
1 370 . 12 1 1 A 36 36 TYR CA C 36 61.726 61.525 0.201 1
1 371 . 12 1 1 A 36 36 TYR CB C 36 38.579 38.498 0.081 1
1 376 . 12 1 1 A 36 36 TYR N N 36 124.434 123.093 1.341 1
1 377 . 12 1 1 A 37 37 LEU H H 37 7.848 9.211 -1.363 1
1 378 . 12 1 1 A 37 37 LEU HA H 37 3.918 4.002 -0.084 1
1 388 . 12 1 1 A 37 37 LEU C C 37 179.334 179.546 -0.212 1
1 389 . 12 1 1 A 37 37 LEU CA C 37 56.827 58.252 -1.425 1
1 390 . 12 1 1 A 37 37 LEU CB C 37 42.069 41.756 0.313 1
1 394 . 12 1 1 A 37 37 LEU N N 37 116.192 120.379 -4.187 1
1 395 . 12 1 1 A 38 38 LEU H H 38 7.230 7.258 -0.028 1
1 396 . 12 1 1 A 38 38 LEU HA H 38 4.150 4.318 -0.168 1
1 406 . 12 1 1 A 38 38 LEU C C 38 178.116 176.364 1.752 1
1 407 . 12 1 1 A 38 38 LEU CA C 38 56.915 56.239 0.676 1
1 408 . 12 1 1 A 38 38 LEU CB C 38 42.336 42.675 -0.339 1
1 412 . 12 1 1 A 38 38 LEU N N 38 118.422 113.307 5.115 1
1 413 . 12 1 1 A 39 39 ASP H H 39 7.543 8.053 -0.510 1
1 414 . 12 1 1 A 39 39 ASP HA H 39 4.364 4.921 -0.557 1
1 417 . 12 1 1 A 39 39 ASP C C 39 174.778 175.903 -1.125 1
1 418 . 12 1 1 A 39 39 ASP CA C 39 54.731 53.697 1.034 1
1 419 . 12 1 1 A 39 39 ASP CB C 39 41.134 42.339 -1.205 1
1 420 . 12 1 1 A 39 39 ASP N N 39 117.417 118.849 -1.432 1
1 421 . 12 1 1 A 40 40 SER H H 40 8.240 8.715 -0.475 1
1 422 . 12 1 1 A 40 40 SER HA H 40 3.984 4.805 -0.821 1
1 425 . 12 1 1 A 40 40 SER C C 40 174.169 175.067 -0.898 1
1 426 . 12 1 1 A 40 40 SER CA C 40 58.825 58.306 0.519 1
1 427 . 12 1 1 A 40 40 SER CB C 40 63.964 63.707 0.257 1
1 428 . 12 1 1 A 40 40 SER N N 40 119.077 119.872 -0.795 1
1 429 . 12 1 1 A 41 41 ASN H H 41 8.711 8.073 0.638 1
1 430 . 12 1 1 A 41 41 ASN HA H 41 5.007 5.240 -0.233 1
1 435 . 12 1 1 A 41 41 ASN C C 41 171.078 172.341 -1.263 1
1 436 . 12 1 1 A 41 41 ASN CA C 41 51.291 50.830 0.461 1
1 437 . 12 1 1 A 41 41 ASN CB C 41 39.815 39.495 0.320 1
1 438 . 12 1 1 A 41 41 ASN N N 41 119.546 119.247 0.299 1
1 440 . 12 1 1 A 42 42 PRO HA H 42 4.408 4.616 -0.208 1
1 447 . 12 1 1 A 42 42 PRO C C 42 177.028 175.469 1.559 1
1 448 . 12 1 1 A 42 42 PRO CA C 42 62.678 62.325 0.353 1
1 449 . 12 1 1 A 42 42 PRO CB C 42 31.869 32.876 -1.007 1
1 452 . 12 1 1 A 43 43 THR H H 43 7.797 8.401 -0.604 1
1 453 . 12 1 1 A 43 43 THR HA H 43 4.205 4.725 -0.520 1
1 458 . 12 1 1 A 43 43 THR C C 43 174.729 175.146 -0.417 1
1 459 . 12 1 1 A 43 43 THR CA C 43 60.690 59.872 0.818 1
1 460 . 12 1 1 A 43 43 THR CB C 43 71.138 70.867 0.271 1
1 462 . 12 1 1 A 43 43 THR N N 43 111.399 116.313 -4.914 1
1 463 . 12 1 1 A 44 44 ARG H H 44 8.718 8.967 -0.249 1
1 464 . 12 1 1 A 44 44 ARG HA H 44 3.863 3.917 -0.054 1
1 471 . 12 1 1 A 44 44 ARG C C 44 178.384 177.864 0.520 1
1 472 . 12 1 1 A 44 44 ARG CA C 44 60.014 59.883 0.131 1
1 473 . 12 1 1 A 44 44 ARG CB C 44 29.512 30.051 -0.539 1
1 476 . 12 1 1 A 44 44 ARG N N 44 120.640 126.854 -6.214 1
1 477 . 12 1 1 A 45 45 LYS H H 45 8.142 7.809 0.333 1
1 478 . 12 1 1 A 45 45 LYS HA H 45 4.070 4.025 0.045 1
1 487 . 12 1 1 A 45 45 LYS C C 45 179.334 178.695 0.639 1
1 488 . 12 1 1 A 45 45 LYS CA C 45 59.170 59.356 -0.186 1
1 489 . 12 1 1 A 45 45 LYS CB C 45 32.457 32.303 0.154 1
1 493 . 12 1 1 A 45 45 LYS N N 45 117.851 119.345 -1.494 1
1 494 . 12 1 1 A 46 46 MET H H 46 7.560 8.247 -0.687 1
1 495 . 12 1 1 A 46 46 MET HA H 46 4.329 4.129 0.200 1
1 503 . 12 1 1 A 46 46 MET C C 46 178.774 178.783 -0.009 1
1 504 . 12 1 1 A 46 46 MET CA C 46 57.799 58.608 -0.809 1
1 505 . 12 1 1 A 46 46 MET CB C 46 32.210 32.957 -0.747 1
1 508 . 12 1 1 A 46 46 MET N N 46 119.433 118.309 1.124 1
1 509 . 12 1 1 A 47 47 LEU H H 47 8.624 8.088 0.536 1
1 510 . 12 1 1 A 47 47 LEU HA H 47 3.758 3.819 -0.061 1
1 520 . 12 1 1 A 47 47 LEU C C 47 178.701 178.729 -0.028 1
1 521 . 12 1 1 A 47 47 LEU CA C 47 58.648 58.133 0.515 1
1 522 . 12 1 1 A 47 47 LEU CB C 47 42.248 41.445 0.803 1
1 526 . 12 1 1 A 47 47 LEU N N 47 120.980 119.628 1.352 1
1 527 . 12 1 1 A 48 48 ASP H H 48 7.891 8.107 -0.216 1
1 528 . 12 1 1 A 48 48 ASP HA H 48 4.275 4.343 -0.068 1
1 531 . 12 1 1 A 48 48 ASP C C 48 178.798 178.200 0.598 1
1 532 . 12 1 1 A 48 48 ASP CA C 48 57.662 57.374 0.288 1
1 533 . 12 1 1 A 48 48 ASP CB C 48 40.347 41.407 -1.060 1
1 534 . 12 1 1 A 48 48 ASP N N 48 119.025 119.583 -0.558 1
1 535 . 12 1 1 A 49 49 HIS H H 49 7.760 7.814 -0.054 1
1 536 . 12 1 1 A 49 49 HIS HA H 49 4.390 4.260 0.130 1
1 540 . 12 1 1 A 49 49 HIS C C 49 178.287 177.103 1.184 1
1 541 . 12 1 1 A 49 49 HIS CA C 49 59.930 60.035 -0.105 1
1 542 . 12 1 1 A 49 49 HIS CB C 49 30.348 30.133 0.215 1
1 544 . 12 1 1 A 49 49 HIS N N 49 120.629 118.982 1.647 1
1 545 . 12 1 1 A 50 50 ILE H H 50 8.934 8.562 0.372 1
1 546 . 12 1 1 A 50 50 ILE HA H 50 3.619 3.713 -0.094 1
1 556 . 12 1 1 A 50 50 ILE C C 50 177.410 178.360 -0.950 1
1 557 . 12 1 1 A 50 50 ILE CA C 50 65.779 65.712 0.067 1
1 558 . 12 1 1 A 50 50 ILE CB C 50 38.622 37.805 0.817 1
1 562 . 12 1 1 A 50 50 ILE N N 50 120.913 120.207 0.706 1
1 563 . 12 1 1 A 51 51 ALA H H 51 8.423 8.153 0.270 1
1 564 . 12 1 1 A 51 51 ALA HA H 51 3.859 4.156 -0.297 1
1 568 . 12 1 1 A 51 51 ALA C C 51 179.213 179.900 -0.687 1
1 569 . 12 1 1 A 51 51 ALA CA C 51 56.348 54.632 1.716 1
1 570 . 12 1 1 A 51 51 ALA CB C 51 17.292 18.113 -0.821 1
1 571 . 12 1 1 A 51 51 ALA N N 51 120.695 120.892 -0.197 1
1 572 . 12 1 1 A 52 52 HIS H H 52 7.735 8.100 -0.365 1
1 573 . 12 1 1 A 52 52 HIS HA H 52 4.273 4.202 0.071 1
1 577 . 12 1 1 A 52 52 HIS C C 52 177.799 177.210 0.589 1
1 578 . 12 1 1 A 52 52 HIS CA C 52 59.406 59.338 0.068 1
1 579 . 12 1 1 A 52 52 HIS CB C 52 29.842 29.805 0.037 1
1 581 . 12 1 1 A 52 52 HIS N N 52 115.822 117.963 -2.141 1
1 582 . 12 1 1 A 53 53 GLU H H 53 8.299 8.451 -0.152 1
1 583 . 12 1 1 A 53 53 GLU HA H 53 3.842 4.024 -0.182 1
1 588 . 12 1 1 A 53 53 GLU C C 53 178.652 178.362 0.290 1
1 589 . 12 1 1 A 53 53 GLU CA C 53 59.434 59.367 0.067 1
1 590 . 12 1 1 A 53 53 GLU CB C 53 30.204 29.095 1.109 1
1 592 . 12 1 1 A 53 53 GLU N N 53 120.073 117.718 2.355 1
1 593 . 12 1 1 A 54 54 VAL H H 54 8.446 7.811 0.635 1
1 594 . 12 1 1 A 54 54 VAL HA H 54 4.150 4.008 0.142 1
1 602 . 12 1 1 A 54 54 VAL C C 54 175.899 177.051 -1.152 1
1 603 . 12 1 1 A 54 54 VAL CA C 54 62.001 64.583 -2.582 1
1 604 . 12 1 1 A 54 54 VAL CB C 54 33.000 31.701 1.299 1
1 607 . 12 1 1 A 54 54 VAL N N 54 112.194 118.747 -6.553 1
1 608 . 12 1 1 A 55 55 GLY H H 55 7.879 8.210 -0.331 1
1 609 . 12 1 1 A 55 55 GLY HA2 H 55 3.975 3.867 0.108 1
1 610 . 12 1 1 A 55 55 GLY HA3 H 55 3.814 3.904 -0.090 1
1 611 . 12 1 1 A 55 55 GLY C C 55 174.461 174.023 0.438 1
1 612 . 12 1 1 A 55 55 GLY CA C 55 46.551 46.318 0.233 1
1 613 . 12 1 1 A 55 55 GLY N N 55 111.306 109.524 1.782 1
1 614 . 12 1 1 A 56 56 LEU H H 56 7.766 7.423 0.343 1
1 615 . 12 1 1 A 56 56 LEU HA H 56 4.825 4.851 -0.026 1
1 625 . 12 1 1 A 56 56 LEU C C 56 175.704 175.475 0.229 1
1 626 . 12 1 1 A 56 56 LEU CA C 56 52.223 53.322 -1.099 1
1 627 . 12 1 1 A 56 56 LEU CB C 56 47.913 45.735 2.178 1
1 631 . 12 1 1 A 56 56 LEU N N 56 119.685 121.145 -1.460 1
1 632 . 12 1 1 A 57 57 LYS H H 57 8.268 8.462 -0.194 1
1 633 . 12 1 1 A 57 57 LYS HA H 57 4.212 4.140 0.072 1
1 642 . 12 1 1 A 57 57 LYS C C 57 178.555 177.526 1.029 1
1 643 . 12 1 1 A 57 57 LYS CA C 57 56.375 57.365 -0.990 1
1 644 . 12 1 1 A 57 57 LYS CB C 57 32.750 32.498 0.252 1
1 648 . 12 1 1 A 57 57 LYS N N 57 118.380 125.056 -6.676 1
1 649 . 12 1 1 A 58 58 LYS H H 58 8.853 9.018 -0.165 1
1 650 . 12 1 1 A 58 58 LYS HA H 58 3.670 3.855 -0.185 1
1 659 . 12 1 1 A 58 58 LYS C C 58 178.652 178.105 0.547 1
1 660 . 12 1 1 A 58 58 LYS CA C 58 61.026 60.411 0.615 1
1 661 . 12 1 1 A 58 58 LYS CB C 58 31.655 32.194 -0.539 1
1 665 . 12 1 1 A 58 58 LYS N N 58 123.883 125.580 -1.697 1
1 666 . 12 1 1 A 59 59 ARG H H 59 8.834 7.693 1.141 1
1 667 . 12 1 1 A 59 59 ARG HA H 59 4.120 4.110 0.010 1
1 674 . 12 1 1 A 59 59 ARG C C 59 177.872 179.024 -1.152 1
1 675 . 12 1 1 A 59 59 ARG CA C 59 58.851 58.944 -0.093 1
1 676 . 12 1 1 A 59 59 ARG CB C 59 29.832 29.742 0.090 1
1 679 . 12 1 1 A 59 59 ARG N N 59 117.315 119.788 -2.473 1
1 680 . 12 1 1 A 60 60 VAL H H 60 6.892 8.097 -1.205 1
1 681 . 12 1 1 A 60 60 VAL HA H 60 3.677 3.805 -0.128 1
1 689 . 12 1 1 A 60 60 VAL C C 60 178.701 178.638 0.063 1
1 690 . 12 1 1 A 60 60 VAL CA C 60 65.741 65.940 -0.199 1
1 691 . 12 1 1 A 60 60 VAL CB C 60 31.520 31.669 -0.149 1
1 694 . 12 1 1 A 60 60 VAL N N 60 117.560 119.523 -1.963 1
1 695 . 12 1 1 A 61 61 VAL H H 61 7.394 8.054 -0.660 1
1 696 . 12 1 1 A 61 61 VAL HA H 61 3.647 3.758 -0.111 1
1 704 . 12 1 1 A 61 61 VAL C C 61 177.385 178.137 -0.752 1
1 705 . 12 1 1 A 61 61 VAL CA C 61 67.232 66.747 0.485 1
1 706 . 12 1 1 A 61 61 VAL CB C 61 32.125 31.759 0.366 1
1 709 . 12 1 1 A 61 61 VAL N N 61 119.625 120.970 -1.345 1
1 710 . 12 1 1 A 62 62 GLN H H 62 8.681 8.474 0.207 1
1 711 . 12 1 1 A 62 62 GLN HA H 62 4.047 3.965 0.082 1
1 718 . 12 1 1 A 62 62 GLN C C 62 178.798 178.563 0.235 1
1 719 . 12 1 1 A 62 62 GLN CA C 62 60.169 59.288 0.881 1
1 720 . 12 1 1 A 62 62 GLN CB C 62 28.935 28.315 0.620 1
1 722 . 12 1 1 A 62 62 GLN N N 62 119.803 120.265 -0.462 1
1 724 . 12 1 1 A 63 63 VAL H H 63 8.279 8.302 -0.023 1
1 725 . 12 1 1 A 63 63 VAL HA H 63 3.703 3.720 -0.017 1
1 733 . 12 1 1 A 63 63 VAL C C 63 177.263 178.202 -0.939 1
1 734 . 12 1 1 A 63 63 VAL CA C 63 66.384 66.387 -0.003 1
1 735 . 12 1 1 A 63 63 VAL CB C 63 31.983 31.872 0.111 1
1 738 . 12 1 1 A 63 63 VAL N N 63 120.104 119.109 0.995 1
1 739 . 12 1 1 A 64 64 TRP H H 64 8.376 8.192 0.184 1
1 740 . 12 1 1 A 64 64 TRP HA H 64 4.015 4.241 -0.226 1
1 749 . 12 1 1 A 64 64 TRP C C 64 180.309 177.945 2.364 1
1 750 . 12 1 1 A 64 64 TRP CA C 64 63.421 60.623 2.798 1
1 751 . 12 1 1 A 64 64 TRP CB C 64 28.382 29.887 -1.505 1
1 757 . 12 1 1 A 64 64 TRP N N 64 122.121 121.704 0.417 1
1 759 . 12 1 1 A 65 65 PHE H H 65 9.032 8.259 0.773 1
1 760 . 12 1 1 A 65 65 PHE HA H 65 3.662 4.482 -0.820 1
1 768 . 12 1 1 A 65 65 PHE C C 65 178.214 178.834 -0.620 1
1 769 . 12 1 1 A 65 65 PHE CA C 65 63.919 61.292 2.627 1
1 770 . 12 1 1 A 65 65 PHE CB C 65 39.512 39.572 -0.060 1
1 776 . 12 1 1 A 65 65 PHE N N 65 120.975 117.007 3.968 1
1 777 . 12 1 1 A 66 66 GLN H H 66 8.021 7.992 0.029 1
1 778 . 12 1 1 A 66 66 GLN HA H 66 3.957 4.092 -0.135 1
1 785 . 12 1 1 A 66 66 GLN C C 66 179.066 177.873 1.193 1
1 786 . 12 1 1 A 66 66 GLN CA C 66 59.426 58.689 0.737 1
1 787 . 12 1 1 A 66 66 GLN CB C 66 28.536 28.053 0.483 1
1 789 . 12 1 1 A 66 66 GLN N N 66 117.887 117.062 0.825 1
1 791 . 12 1 1 A 67 67 ASN H H 67 8.807 8.034 0.773 1
1 792 . 12 1 1 A 67 67 ASN HA H 67 4.331 4.534 -0.203 1
1 797 . 12 1 1 A 67 67 ASN C C 67 177.775 177.745 0.030 1
1 798 . 12 1 1 A 67 67 ASN CA C 67 55.461 56.110 -0.649 1
1 799 . 12 1 1 A 67 67 ASN CB C 67 37.718 38.159 -0.441 1
1 800 . 12 1 1 A 67 67 ASN N N 67 119.312 118.589 0.723 1
1 802 . 12 1 1 A 68 68 THR H H 68 8.092 7.339 0.753 1
1 803 . 12 1 1 A 68 68 THR HA H 68 3.262 3.529 -0.267 1
1 808 . 12 1 1 A 68 68 THR C C 68 175.972 176.477 -0.505 1
1 809 . 12 1 1 A 68 68 THR CA C 68 66.903 67.062 -0.159 1
1 810 . 12 1 1 A 68 68 THR CB C 68 67.800 67.869 -0.069 1
1 812 . 12 1 1 A 68 68 THR N N 68 120.500 116.361 4.139 1
1 813 . 12 1 1 A 69 69 ARG H H 69 8.154 8.158 -0.004 1
1 814 . 12 1 1 A 69 69 ARG HA H 69 4.362 4.066 0.296 1
1 821 . 12 1 1 A 69 69 ARG C C 69 179.432 178.513 0.919 1
1 822 . 12 1 1 A 69 69 ARG CA C 69 59.805 60.285 -0.480 1
1 823 . 12 1 1 A 69 69 ARG CB C 69 31.490 30.056 1.434 1
1 826 . 12 1 1 A 69 69 ARG N N 69 121.451 119.535 1.916 1
1 827 . 12 1 1 A 70 70 ALA H H 70 7.686 7.788 -0.102 1
1 828 . 12 1 1 A 70 70 ALA HA H 70 4.107 4.058 0.049 1
1 832 . 12 1 1 A 70 70 ALA C C 70 179.724 180.082 -0.358 1
1 833 . 12 1 1 A 70 70 ALA CA C 70 54.512 54.952 -0.440 1
1 834 . 12 1 1 A 70 70 ALA CB C 70 18.187 18.087 0.100 1
1 835 . 12 1 1 A 70 70 ALA N N 70 119.887 121.427 -1.540 1
1 836 . 12 1 1 A 71 71 ARG H H 71 7.588 7.719 -0.131 1
1 837 . 12 1 1 A 71 71 ARG HA H 71 4.073 4.075 -0.002 1
1 844 . 12 1 1 A 71 71 ARG C C 71 177.775 179.234 -1.459 1
1 845 . 12 1 1 A 71 71 ARG CA C 71 57.849 59.666 -1.817 1
1 846 . 12 1 1 A 71 71 ARG CB C 71 30.419 30.176 0.243 1
1 849 . 12 1 1 A 71 71 ARG N N 71 117.554 117.606 -0.052 1
1 850 . 12 1 1 A 72 72 GLU H H 72 7.776 8.345 -0.569 1
1 851 . 12 1 1 A 72 72 GLU HA H 72 4.129 4.059 0.070 1
1 856 . 12 1 1 A 72 72 GLU C C 72 177.190 179.174 -1.984 1
1 857 . 12 1 1 A 72 72 GLU CA C 72 57.625 59.304 -1.679 1
1 858 . 12 1 1 A 72 72 GLU CB C 72 29.815 29.464 0.351 1
1 860 . 12 1 1 A 72 72 GLU N N 72 119.019 119.668 -0.649 1
1 861 . 12 1 1 A 73 73 ARG H H 73 7.956 8.181 -0.225 1
1 862 . 12 1 1 A 73 73 ARG HA H 73 4.228 4.107 0.121 1
1 869 . 12 1 1 A 73 73 ARG C C 73 176.581 176.380 0.201 1
1 870 . 12 1 1 A 73 73 ARG CA C 73 56.773 59.012 -2.239 1
1 871 . 12 1 1 A 73 73 ARG CB C 73 30.254 30.201 0.053 1
1 874 . 12 1 1 A 73 73 ARG N N 73 119.948 118.786 1.162 1
1 875 . 12 1 1 A 74 74 LYS H H 74 8.155 7.631 0.524 1
1 876 . 12 1 1 A 74 74 LYS HA H 74 4.329 4.088 0.241 1
1 885 . 12 1 1 A 74 74 LYS C C 74 176.703 175.615 1.088 1
1 886 . 12 1 1 A 74 74 LYS CA C 74 56.458 56.872 -0.414 1
1 887 . 12 1 1 A 74 74 LYS CB C 74 32.825 33.378 -0.553 1
1 891 . 12 1 1 A 74 74 LYS N N 74 121.577 121.965 -0.388 1
1 892 . 12 1 1 A 75 75 SER H H 75 8.246 8.460 -0.214 1
1 893 . 12 1 1 A 75 75 SER HA H 75 4.474 4.753 -0.279 1
1 896 . 12 1 1 A 75 75 SER C C 75 174.486 174.200 0.286 1
1 897 . 12 1 1 A 75 75 SER CA C 75 58.365 57.630 0.735 1
1 898 . 12 1 1 A 75 75 SER CB C 75 63.967 65.164 -1.197 1
1 899 . 12 1 1 A 75 75 SER N N 75 116.340 117.016 -0.676 1
1 900 . 12 1 1 A 76 76 GLY H H 76 8.205 8.556 -0.351 1
1 901 . 12 1 1 A 76 76 GLY HA2 H 76 4.118 4.340 -0.222 1
1 902 . 12 1 1 A 76 76 GLY HA3 H 76 4.118 4.341 -0.223 1
1 903 . 12 1 1 A 76 76 GLY C C 76 171.758 174.031 -2.273 1
1 904 . 12 1 1 A 76 76 GLY CA C 76 44.661 44.831 -0.170 1
1 905 . 12 1 1 A 76 76 GLY N N 76 110.555 107.269 3.286 1
1 906 . 12 1 1 A 77 77 PRO HA H 77 4.450 4.423 0.027 1
1 913 . 12 1 1 A 77 77 PRO C C 77 177.458 177.134 0.324 1
1 914 . 12 1 1 A 77 77 PRO CA C 77 63.249 63.881 -0.632 1
1 915 . 12 1 1 A 77 77 PRO CB C 77 32.180 31.924 0.256 1
1 918 . 12 1 1 A 78 78 SER H H 78 8.525 8.348 0.177 1
1 919 . 12 1 1 A 78 78 SER HA H 78 4.471 4.082 0.389 1
1 922 . 12 1 1 A 78 78 SER C C 78 174.648 174.355 0.293 1
1 923 . 12 1 1 A 78 78 SER CA C 78 58.460 61.668 -3.208 1
1 924 . 12 1 1 A 78 78 SER CB C 78 63.885 63.226 0.659 1
1 925 . 12 1 1 A 78 78 SER N N 78 116.381 114.409 1.972 1
1 926 . 12 1 1 A 79 79 SER H H 79 8.309 8.092 0.217 1
1 927 . 12 1 1 A 79 79 SER HA H 79 4.457 4.097 0.360 1
1 930 . 12 1 1 A 79 79 SER C C 79 173.925 173.594 0.331 1
1 931 . 12 1 1 A 79 79 SER CA C 79 58.401 59.163 -0.762 1
1 932 . 12 1 1 A 79 79 SER CB C 79 64.132 62.189 1.943 1
1 933 . 12 1 1 A 79 79 SER N N 79 117.741 114.573 3.168 1
1 1 . 13 1 1 A 8 8 GLY HA2 H 8 4.031 4.196 -0.165 1
1 2 . 13 1 1 A 8 8 GLY HA3 H 8 4.031 4.196 -0.165 1
1 3 . 13 1 1 A 8 8 GLY C C 8 174.729 173.579 1.150 1
1 4 . 13 1 1 A 8 8 GLY CA C 8 45.278 46.222 -0.944 1
1 5 . 13 1 1 A 9 9 THR H H 9 8.248 8.507 -0.259 1
1 6 . 13 1 1 A 9 9 THR HA H 9 4.376 4.648 -0.272 1
1 11 . 13 1 1 A 9 9 THR C C 9 175.485 173.929 1.556 1
1 12 . 13 1 1 A 9 9 THR CA C 9 61.837 60.657 1.180 1
1 13 . 13 1 1 A 9 9 THR CB C 9 69.737 68.766 0.971 1
1 15 . 13 1 1 A 9 9 THR N N 9 112.908 115.352 -2.444 1
1 16 . 13 1 1 A 10 10 GLY H H 10 8.581 7.511 1.070 1
1 17 . 13 1 1 A 10 10 GLY HA2 H 10 3.985 4.096 -0.111 1
1 18 . 13 1 1 A 10 10 GLY HA3 H 10 3.985 4.096 -0.111 1
1 19 . 13 1 1 A 10 10 GLY C C 10 174.705 173.357 1.348 1
1 20 . 13 1 1 A 10 10 GLY CA C 10 45.455 45.668 -0.213 1
1 21 . 13 1 1 A 10 10 GLY N N 10 111.487 109.679 1.808 1
1 22 . 13 1 1 A 11 11 GLY H H 11 8.286 8.459 -0.173 1
1 23 . 13 1 1 A 11 11 GLY HA2 H 11 3.958 4.168 -0.210 1
1 24 . 13 1 1 A 11 11 GLY HA3 H 11 3.958 4.169 -0.211 1
1 25 . 13 1 1 A 11 11 GLY C C 11 174.071 172.871 1.200 1
1 26 . 13 1 1 A 11 11 GLY CA C 11 45.101 45.683 -0.582 1
1 27 . 13 1 1 A 11 11 GLY N N 11 108.887 110.560 -1.673 1
1 28 . 13 1 1 A 12 12 GLU H H 12 8.333 7.916 0.417 1
1 29 . 13 1 1 A 12 12 GLU HA H 12 4.271 4.914 -0.643 1
1 34 . 13 1 1 A 12 12 GLU C C 12 176.435 174.959 1.476 1
1 35 . 13 1 1 A 12 12 GLU CA C 12 56.278 54.339 1.939 1
1 36 . 13 1 1 A 12 12 GLU CB C 12 30.358 33.535 -3.177 1
1 38 . 13 1 1 A 12 12 GLU N N 12 120.407 119.370 1.037 1
1 39 . 13 1 1 A 13 13 GLU H H 13 8.546 8.644 -0.098 1
1 40 . 13 1 1 A 13 13 GLU HA H 13 4.521 4.808 -0.287 1
1 45 . 13 1 1 A 13 13 GLU C C 13 174.648 176.299 -1.651 1
1 46 . 13 1 1 A 13 13 GLU CA C 13 54.687 53.202 1.485 1
1 47 . 13 1 1 A 13 13 GLU CB C 13 29.688 30.598 -0.910 1
1 49 . 13 1 1 A 13 13 GLU N N 13 123.832 121.764 2.068 1
1 50 . 13 1 1 A 14 14 PRO HA H 14 4.375 4.522 -0.147 1
1 57 . 13 1 1 A 14 14 PRO C C 14 177.117 176.259 0.858 1
1 58 . 13 1 1 A 14 14 PRO CA C 14 63.379 63.854 -0.475 1
1 59 . 13 1 1 A 14 14 PRO CB C 14 32.003 31.854 0.149 1
1 62 . 13 1 1 A 15 15 GLN H H 15 8.543 7.996 0.547 1
1 63 . 13 1 1 A 15 15 GLN HA H 15 4.230 4.262 -0.032 1
1 70 . 13 1 1 A 15 15 GLN C C 15 176.459 175.590 0.869 1
1 71 . 13 1 1 A 15 15 GLN CA C 15 56.171 55.513 0.658 1
1 72 . 13 1 1 A 15 15 GLN CB C 15 28.935 28.687 0.248 1
1 74 . 13 1 1 A 15 15 GLN N N 15 120.153 120.294 -0.141 1
1 76 . 13 1 1 A 16 16 ARG H H 16 8.337 8.616 -0.279 1
1 77 . 13 1 1 A 16 16 ARG HA H 16 4.219 4.276 -0.057 1
1 84 . 13 1 1 A 16 16 ARG C C 16 176.216 175.194 1.022 1
1 85 . 13 1 1 A 16 16 ARG CA C 16 56.809 57.567 -0.758 1
1 86 . 13 1 1 A 16 16 ARG CB C 16 30.666 31.297 -0.631 1
1 89 . 13 1 1 A 16 16 ARG N N 16 122.090 128.030 -5.940 1
1 90 . 13 1 1 A 17 17 ASP H H 17 8.313 7.706 0.607 1
1 91 . 13 1 1 A 17 17 ASP HA H 17 4.523 5.089 -0.566 1
1 94 . 13 1 1 A 17 17 ASP C C 17 176.727 175.426 1.301 1
1 95 . 13 1 1 A 17 17 ASP CA C 17 54.591 53.211 1.380 1
1 96 . 13 1 1 A 17 17 ASP CB C 17 41.097 45.159 -4.062 1
1 97 . 13 1 1 A 17 17 ASP N N 17 120.664 116.208 4.456 1
1 98 . 13 1 1 A 18 18 LYS H H 18 8.276 8.759 -0.483 1
1 99 . 13 1 1 A 18 18 LYS HA H 18 4.175 4.443 -0.268 1
1 108 . 13 1 1 A 18 18 LYS C C 18 176.971 176.143 0.828 1
1 109 . 13 1 1 A 18 18 LYS CA C 18 56.971 57.443 -0.472 1
1 110 . 13 1 1 A 18 18 LYS CB C 18 32.562 35.717 -3.155 1
1 114 . 13 1 1 A 18 18 LYS N N 18 122.504 123.209 -0.705 1
1 115 . 13 1 1 A 19 19 ARG H H 19 8.240 7.629 0.611 1
1 116 . 13 1 1 A 19 19 ARG HA H 19 4.205 4.574 -0.369 1
1 123 . 13 1 1 A 19 19 ARG C C 19 176.532 175.376 1.156 1
1 124 . 13 1 1 A 19 19 ARG CA C 19 56.632 55.756 0.876 1
1 125 . 13 1 1 A 19 19 ARG CB C 19 30.647 31.464 -0.817 1
1 128 . 13 1 1 A 19 19 ARG N N 19 120.296 116.179 4.117 1
1 129 . 13 1 1 A 20 20 LEU H H 20 8.068 8.639 -0.571 1
1 130 . 13 1 1 A 20 20 LEU HA H 20 4.262 4.881 -0.619 1
1 140 . 13 1 1 A 20 20 LEU C C 20 177.288 176.313 0.975 1
1 141 . 13 1 1 A 20 20 LEU CA C 20 55.110 53.161 1.949 1
1 142 . 13 1 1 A 20 20 LEU CB C 20 42.081 45.420 -3.339 1
1 146 . 13 1 1 A 20 20 LEU N N 20 121.867 123.451 -1.584 1
1 147 . 13 1 1 A 21 21 ARG H H 21 8.226 8.616 -0.390 1
1 148 . 13 1 1 A 21 21 ARG HA H 21 4.413 4.264 0.149 1
1 155 . 13 1 1 A 21 21 ARG C C 21 176.313 177.917 -1.604 1
1 156 . 13 1 1 A 21 21 ARG CA C 21 56.194 57.164 -0.970 1
1 157 . 13 1 1 A 21 21 ARG CB C 21 30.996 30.548 0.448 1
1 160 . 13 1 1 A 21 21 ARG N N 21 121.612 121.767 -0.155 1
1 161 . 13 1 1 A 22 22 THR H H 22 8.215 8.718 -0.503 1
1 162 . 13 1 1 A 22 22 THR HA H 22 4.405 4.129 0.276 1
1 167 . 13 1 1 A 22 22 THR C C 22 174.169 175.212 -1.043 1
1 168 . 13 1 1 A 22 22 THR CA C 22 61.963 64.924 -2.961 1
1 169 . 13 1 1 A 22 22 THR CB C 22 69.779 68.680 1.099 1
1 171 . 13 1 1 A 22 22 THR N N 22 114.661 116.112 -1.451 1
1 172 . 13 1 1 A 23 23 THR H H 23 8.087 7.534 0.553 1
1 173 . 13 1 1 A 23 23 THR HA H 23 4.308 4.371 -0.063 1
1 178 . 13 1 1 A 23 23 THR C C 23 173.413 173.742 -0.329 1
1 179 . 13 1 1 A 23 23 THR CA C 23 62.158 61.599 0.559 1
1 180 . 13 1 1 A 23 23 THR CB C 23 69.916 70.657 -0.741 1
1 182 . 13 1 1 A 23 23 THR N N 23 118.008 114.706 3.302 1
1 183 . 13 1 1 A 24 24 ILE H H 24 8.110 8.306 -0.196 1
1 184 . 13 1 1 A 24 24 ILE HA H 24 4.200 5.048 -0.848 1
1 194 . 13 1 1 A 24 24 ILE C C 24 176.654 175.592 1.062 1
1 195 . 13 1 1 A 24 24 ILE CA C 24 61.690 59.707 1.983 1
1 196 . 13 1 1 A 24 24 ILE CB C 24 39.487 41.408 -1.921 1
1 200 . 13 1 1 A 24 24 ILE N N 24 124.852 120.494 4.358 1
1 201 . 13 1 1 A 25 25 THR H H 25 9.023 8.563 0.460 1
1 202 . 13 1 1 A 25 25 THR HA H 25 4.564 4.978 -0.414 1
1 207 . 13 1 1 A 25 25 THR C C 25 173.433 174.276 -0.843 1
1 208 . 13 1 1 A 25 25 THR CA C 25 60.759 58.717 2.042 1
1 209 . 13 1 1 A 25 25 THR CB C 25 68.089 69.616 -1.527 1
1 211 . 13 1 1 A 25 25 THR N N 25 120.568 115.969 4.599 1
1 212 . 13 1 1 A 26 26 PRO HA H 26 4.172 4.565 -0.393 1
1 219 . 13 1 1 A 26 26 PRO C C 26 179.237 177.323 1.914 1
1 220 . 13 1 1 A 26 26 PRO CA C 26 65.917 64.462 1.455 1
1 221 . 13 1 1 A 26 26 PRO CB C 26 31.725 31.732 -0.007 1
1 224 . 13 1 1 A 27 27 GLU H H 27 8.722 8.477 0.245 1
1 225 . 13 1 1 A 27 27 GLU HA H 27 4.006 4.267 -0.261 1
1 230 . 13 1 1 A 27 27 GLU C C 27 179.749 178.388 1.361 1
1 231 . 13 1 1 A 27 27 GLU CA C 27 60.353 57.604 2.749 1
1 232 . 13 1 1 A 27 27 GLU CB C 27 28.851 29.994 -1.143 1
1 234 . 13 1 1 A 27 27 GLU N N 27 117.087 117.511 -0.424 1
1 235 . 13 1 1 A 28 28 GLN H H 28 7.666 7.966 -0.300 1
1 236 . 13 1 1 A 28 28 GLN HA H 28 3.767 4.099 -0.332 1
1 243 . 13 1 1 A 28 28 GLN C C 28 177.872 178.148 -0.276 1
1 244 . 13 1 1 A 28 28 GLN CA C 28 58.821 58.300 0.521 1
1 245 . 13 1 1 A 28 28 GLN CB C 28 29.401 28.716 0.685 1
1 247 . 13 1 1 A 28 28 GLN N N 28 119.298 119.617 -0.319 1
1 249 . 13 1 1 A 29 29 LEU H H 29 8.453 8.023 0.430 1
1 250 . 13 1 1 A 29 29 LEU HA H 29 3.484 3.527 -0.043 1
1 260 . 13 1 1 A 29 29 LEU C C 29 178.092 178.832 -0.740 1
1 261 . 13 1 1 A 29 29 LEU CA C 29 57.737 57.676 0.061 1
1 262 . 13 1 1 A 29 29 LEU CB C 29 41.578 41.607 -0.029 1
1 266 . 13 1 1 A 29 29 LEU N N 29 120.145 120.687 -0.542 1
1 267 . 13 1 1 A 30 30 GLU H H 30 7.607 8.348 -0.741 1
1 268 . 13 1 1 A 30 30 GLU HA H 30 4.069 4.117 -0.048 1
1 273 . 13 1 1 A 30 30 GLU C C 30 179.140 179.338 -0.198 1
1 274 . 13 1 1 A 30 30 GLU CA C 30 59.334 59.696 -0.362 1
1 275 . 13 1 1 A 30 30 GLU CB C 30 29.512 29.498 0.014 1
1 277 . 13 1 1 A 30 30 GLU N N 30 116.903 116.652 0.251 1
1 278 . 13 1 1 A 31 31 ILE H H 31 7.070 7.765 -0.695 1
1 279 . 13 1 1 A 31 31 ILE HA H 31 3.692 3.684 0.008 1
1 289 . 13 1 1 A 31 31 ILE C C 31 178.287 178.656 -0.369 1
1 290 . 13 1 1 A 31 31 ILE CA C 31 64.416 65.930 -1.514 1
1 291 . 13 1 1 A 31 31 ILE CB C 31 37.777 38.035 -0.258 1
1 295 . 13 1 1 A 31 31 ILE N N 31 118.947 120.754 -1.807 1
1 296 . 13 1 1 A 32 32 LEU H H 32 8.126 8.086 0.040 1
1 297 . 13 1 1 A 32 32 LEU HA H 32 3.418 3.884 -0.466 1
1 307 . 13 1 1 A 32 32 LEU C C 32 178.311 178.853 -0.542 1
1 308 . 13 1 1 A 32 32 LEU CA C 32 58.497 57.933 0.564 1
1 309 . 13 1 1 A 32 32 LEU CB C 32 38.146 41.066 -2.920 1
1 313 . 13 1 1 A 32 32 LEU N N 32 120.437 118.696 1.741 1
1 314 . 13 1 1 A 33 33 TYR H H 33 8.312 8.428 -0.116 1
1 315 . 13 1 1 A 33 33 TYR HA H 33 4.358 4.623 -0.265 1
1 322 . 13 1 1 A 33 33 TYR C C 33 178.214 178.539 -0.325 1
1 323 . 13 1 1 A 33 33 TYR CA C 33 62.645 60.975 1.670 1
1 324 . 13 1 1 A 33 33 TYR CB C 33 37.807 37.956 -0.149 1
1 329 . 13 1 1 A 33 33 TYR N N 33 117.248 118.026 -0.778 1
1 330 . 13 1 1 A 34 34 GLN H H 34 7.750 8.745 -0.995 1
1 331 . 13 1 1 A 34 34 GLN HA H 34 3.967 3.903 0.064 1
1 338 . 13 1 1 A 34 34 GLN C C 34 180.065 179.184 0.881 1
1 339 . 13 1 1 A 34 34 GLN CA C 34 59.143 59.491 -0.348 1
1 340 . 13 1 1 A 34 34 GLN CB C 34 27.781 28.902 -1.121 1
1 342 . 13 1 1 A 34 34 GLN N N 34 117.509 118.263 -0.754 1
1 344 . 13 1 1 A 35 35 LYS H H 35 8.381 8.354 0.027 1
1 345 . 13 1 1 A 35 35 LYS HA H 35 4.132 4.223 -0.091 1
1 354 . 13 1 1 A 35 35 LYS C C 35 179.456 178.626 0.830 1
1 355 . 13 1 1 A 35 35 LYS CA C 35 57.839 58.690 -0.851 1
1 356 . 13 1 1 A 35 35 LYS CB C 35 31.487 32.475 -0.988 1
1 360 . 13 1 1 A 35 35 LYS N N 35 117.671 120.295 -2.624 1
1 361 . 13 1 1 A 36 36 TYR H H 36 9.036 8.648 0.388 1
1 362 . 13 1 1 A 36 36 TYR HA H 36 4.164 4.777 -0.613 1
1 369 . 13 1 1 A 36 36 TYR C C 36 176.630 177.442 -0.812 1
1 370 . 13 1 1 A 36 36 TYR CA C 36 61.726 61.415 0.311 1
1 371 . 13 1 1 A 36 36 TYR CB C 36 38.579 38.419 0.160 1
1 376 . 13 1 1 A 36 36 TYR N N 36 124.434 123.102 1.332 1
1 377 . 13 1 1 A 37 37 LEU H H 37 7.848 8.960 -1.112 1
1 378 . 13 1 1 A 37 37 LEU HA H 37 3.918 3.807 0.111 1
1 388 . 13 1 1 A 37 37 LEU C C 37 179.334 179.452 -0.118 1
1 389 . 13 1 1 A 37 37 LEU CA C 37 56.827 58.072 -1.245 1
1 390 . 13 1 1 A 37 37 LEU CB C 37 42.069 41.717 0.352 1
1 394 . 13 1 1 A 37 37 LEU N N 37 116.192 120.023 -3.831 1
1 395 . 13 1 1 A 38 38 LEU H H 38 7.230 7.276 -0.046 1
1 396 . 13 1 1 A 38 38 LEU HA H 38 4.150 4.239 -0.089 1
1 406 . 13 1 1 A 38 38 LEU C C 38 178.116 176.194 1.922 1
1 407 . 13 1 1 A 38 38 LEU CA C 38 56.915 56.875 0.040 1
1 408 . 13 1 1 A 38 38 LEU CB C 38 42.336 42.339 -0.003 1
1 412 . 13 1 1 A 38 38 LEU N N 38 118.422 113.218 5.204 1
1 413 . 13 1 1 A 39 39 ASP H H 39 7.543 8.120 -0.577 1
1 414 . 13 1 1 A 39 39 ASP HA H 39 4.364 4.959 -0.595 1
1 417 . 13 1 1 A 39 39 ASP C C 39 174.778 175.859 -1.081 1
1 418 . 13 1 1 A 39 39 ASP CA C 39 54.731 52.981 1.750 1
1 419 . 13 1 1 A 39 39 ASP CB C 39 41.134 42.382 -1.248 1
1 420 . 13 1 1 A 39 39 ASP N N 39 117.417 119.645 -2.228 1
1 421 . 13 1 1 A 40 40 SER H H 40 8.240 8.752 -0.512 1
1 422 . 13 1 1 A 40 40 SER HA H 40 3.984 4.651 -0.667 1
1 425 . 13 1 1 A 40 40 SER C C 40 174.169 174.356 -0.187 1
1 426 . 13 1 1 A 40 40 SER CA C 40 58.825 58.834 -0.009 1
1 427 . 13 1 1 A 40 40 SER CB C 40 63.964 63.819 0.145 1
1 428 . 13 1 1 A 40 40 SER N N 40 119.077 121.628 -2.551 1
1 429 . 13 1 1 A 41 41 ASN H H 41 8.711 7.675 1.036 1
1 430 . 13 1 1 A 41 41 ASN HA H 41 5.007 5.276 -0.269 1
1 435 . 13 1 1 A 41 41 ASN C C 41 171.078 172.347 -1.269 1
1 436 . 13 1 1 A 41 41 ASN CA C 41 51.291 50.855 0.436 1
1 437 . 13 1 1 A 41 41 ASN CB C 41 39.815 39.544 0.271 1
1 438 . 13 1 1 A 41 41 ASN N N 41 119.546 119.448 0.098 1
1 440 . 13 1 1 A 42 42 PRO HA H 42 4.408 4.694 -0.286 1
1 447 . 13 1 1 A 42 42 PRO C C 42 177.028 175.916 1.112 1
1 448 . 13 1 1 A 42 42 PRO CA C 42 62.678 62.540 0.138 1
1 449 . 13 1 1 A 42 42 PRO CB C 42 31.869 32.586 -0.717 1
1 452 . 13 1 1 A 43 43 THR H H 43 7.797 8.358 -0.561 1
1 453 . 13 1 1 A 43 43 THR HA H 43 4.205 4.678 -0.473 1
1 458 . 13 1 1 A 43 43 THR C C 43 174.729 175.385 -0.656 1
1 459 . 13 1 1 A 43 43 THR CA C 43 60.690 60.041 0.649 1
1 460 . 13 1 1 A 43 43 THR CB C 43 71.138 70.914 0.224 1
1 462 . 13 1 1 A 43 43 THR N N 43 111.399 116.435 -5.036 1
1 463 . 13 1 1 A 44 44 ARG H H 44 8.718 9.025 -0.307 1
1 464 . 13 1 1 A 44 44 ARG HA H 44 3.863 3.921 -0.058 1
1 471 . 13 1 1 A 44 44 ARG C C 44 178.384 178.710 -0.326 1
1 472 . 13 1 1 A 44 44 ARG CA C 44 60.014 60.051 -0.037 1
1 473 . 13 1 1 A 44 44 ARG CB C 44 29.512 29.866 -0.354 1
1 476 . 13 1 1 A 44 44 ARG N N 44 120.640 127.552 -6.912 1
1 477 . 13 1 1 A 45 45 LYS H H 45 8.142 7.820 0.322 1
1 478 . 13 1 1 A 45 45 LYS HA H 45 4.070 4.020 0.050 1
1 487 . 13 1 1 A 45 45 LYS C C 45 179.334 178.591 0.743 1
1 488 . 13 1 1 A 45 45 LYS CA C 45 59.170 59.368 -0.198 1
1 489 . 13 1 1 A 45 45 LYS CB C 45 32.457 32.362 0.095 1
1 493 . 13 1 1 A 45 45 LYS N N 45 117.851 119.813 -1.962 1
1 494 . 13 1 1 A 46 46 MET H H 46 7.560 8.120 -0.560 1
1 495 . 13 1 1 A 46 46 MET HA H 46 4.329 4.133 0.196 1
1 503 . 13 1 1 A 46 46 MET C C 46 178.774 178.883 -0.109 1
1 504 . 13 1 1 A 46 46 MET CA C 46 57.799 58.767 -0.968 1
1 505 . 13 1 1 A 46 46 MET CB C 46 32.210 32.719 -0.509 1
1 508 . 13 1 1 A 46 46 MET N N 46 119.433 118.388 1.045 1
1 509 . 13 1 1 A 47 47 LEU H H 47 8.624 8.189 0.435 1
1 510 . 13 1 1 A 47 47 LEU HA H 47 3.758 3.784 -0.026 1
1 520 . 13 1 1 A 47 47 LEU C C 47 178.701 178.739 -0.038 1
1 521 . 13 1 1 A 47 47 LEU CA C 47 58.648 58.110 0.538 1
1 522 . 13 1 1 A 47 47 LEU CB C 47 42.248 41.514 0.734 1
1 526 . 13 1 1 A 47 47 LEU N N 47 120.980 119.589 1.391 1
1 527 . 13 1 1 A 48 48 ASP H H 48 7.891 8.389 -0.498 1
1 528 . 13 1 1 A 48 48 ASP HA H 48 4.275 4.333 -0.058 1
1 531 . 13 1 1 A 48 48 ASP C C 48 178.798 178.214 0.584 1
1 532 . 13 1 1 A 48 48 ASP CA C 48 57.662 57.367 0.295 1
1 533 . 13 1 1 A 48 48 ASP CB C 48 40.347 41.392 -1.045 1
1 534 . 13 1 1 A 48 48 ASP N N 48 119.025 119.674 -0.649 1
1 535 . 13 1 1 A 49 49 HIS H H 49 7.760 7.994 -0.234 1
1 536 . 13 1 1 A 49 49 HIS HA H 49 4.390 4.268 0.122 1
1 540 . 13 1 1 A 49 49 HIS C C 49 178.287 177.086 1.201 1
1 541 . 13 1 1 A 49 49 HIS CA C 49 59.930 59.970 -0.040 1
1 542 . 13 1 1 A 49 49 HIS CB C 49 30.348 30.123 0.225 1
1 544 . 13 1 1 A 49 49 HIS N N 49 120.629 118.998 1.631 1
1 545 . 13 1 1 A 50 50 ILE H H 50 8.934 8.620 0.314 1
1 546 . 13 1 1 A 50 50 ILE HA H 50 3.619 3.633 -0.014 1
1 556 . 13 1 1 A 50 50 ILE C C 50 177.410 178.352 -0.942 1
1 557 . 13 1 1 A 50 50 ILE CA C 50 65.779 65.666 0.113 1
1 558 . 13 1 1 A 50 50 ILE CB C 50 38.622 37.690 0.932 1
1 562 . 13 1 1 A 50 50 ILE N N 50 120.913 120.159 0.754 1
1 563 . 13 1 1 A 51 51 ALA H H 51 8.423 8.081 0.342 1
1 564 . 13 1 1 A 51 51 ALA HA H 51 3.859 4.138 -0.279 1
1 568 . 13 1 1 A 51 51 ALA C C 51 179.213 179.881 -0.668 1
1 569 . 13 1 1 A 51 51 ALA CA C 51 56.348 54.558 1.790 1
1 570 . 13 1 1 A 51 51 ALA CB C 51 17.292 18.167 -0.875 1
1 571 . 13 1 1 A 51 51 ALA N N 51 120.695 120.701 -0.006 1
1 572 . 13 1 1 A 52 52 HIS H H 52 7.735 8.161 -0.426 1
1 573 . 13 1 1 A 52 52 HIS HA H 52 4.273 4.170 0.103 1
1 577 . 13 1 1 A 52 52 HIS C C 52 177.799 177.202 0.597 1
1 578 . 13 1 1 A 52 52 HIS CA C 52 59.406 59.442 -0.036 1
1 579 . 13 1 1 A 52 52 HIS CB C 52 29.842 29.740 0.102 1
1 581 . 13 1 1 A 52 52 HIS N N 52 115.822 117.957 -2.135 1
1 582 . 13 1 1 A 53 53 GLU H H 53 8.299 8.327 -0.028 1
1 583 . 13 1 1 A 53 53 GLU HA H 53 3.842 4.025 -0.183 1
1 588 . 13 1 1 A 53 53 GLU C C 53 178.652 178.337 0.315 1
1 589 . 13 1 1 A 53 53 GLU CA C 53 59.434 59.397 0.037 1
1 590 . 13 1 1 A 53 53 GLU CB C 53 30.204 29.153 1.051 1
1 592 . 13 1 1 A 53 53 GLU N N 53 120.073 117.729 2.344 1
1 593 . 13 1 1 A 54 54 VAL H H 54 8.446 7.909 0.537 1
1 594 . 13 1 1 A 54 54 VAL HA H 54 4.150 3.977 0.173 1
1 602 . 13 1 1 A 54 54 VAL C C 54 175.899 177.059 -1.160 1
1 603 . 13 1 1 A 54 54 VAL CA C 54 62.001 64.670 -2.669 1
1 604 . 13 1 1 A 54 54 VAL CB C 54 33.000 31.696 1.304 1
1 607 . 13 1 1 A 54 54 VAL N N 54 112.194 118.464 -6.270 1
1 608 . 13 1 1 A 55 55 GLY H H 55 7.879 8.261 -0.382 1
1 609 . 13 1 1 A 55 55 GLY HA2 H 55 3.975 3.895 0.080 1
1 610 . 13 1 1 A 55 55 GLY HA3 H 55 3.814 3.923 -0.109 1
1 611 . 13 1 1 A 55 55 GLY C C 55 174.461 173.999 0.462 1
1 612 . 13 1 1 A 55 55 GLY CA C 55 46.551 46.493 0.058 1
1 613 . 13 1 1 A 55 55 GLY N N 55 111.306 109.435 1.871 1
1 614 . 13 1 1 A 56 56 LEU H H 56 7.766 7.446 0.320 1
1 615 . 13 1 1 A 56 56 LEU HA H 56 4.825 4.862 -0.037 1
1 625 . 13 1 1 A 56 56 LEU C C 56 175.704 175.599 0.105 1
1 626 . 13 1 1 A 56 56 LEU CA C 56 52.223 53.531 -1.308 1
1 627 . 13 1 1 A 56 56 LEU CB C 56 47.913 45.742 2.171 1
1 631 . 13 1 1 A 56 56 LEU N N 56 119.685 120.977 -1.292 1
1 632 . 13 1 1 A 57 57 LYS H H 57 8.268 8.450 -0.182 1
1 633 . 13 1 1 A 57 57 LYS HA H 57 4.212 4.141 0.071 1
1 642 . 13 1 1 A 57 57 LYS C C 57 178.555 177.638 0.917 1
1 643 . 13 1 1 A 57 57 LYS CA C 57 56.375 57.285 -0.910 1
1 644 . 13 1 1 A 57 57 LYS CB C 57 32.750 32.476 0.274 1
1 648 . 13 1 1 A 57 57 LYS N N 57 118.380 125.025 -6.645 1
1 649 . 13 1 1 A 58 58 LYS H H 58 8.853 8.982 -0.129 1
1 650 . 13 1 1 A 58 58 LYS HA H 58 3.670 3.795 -0.125 1
1 659 . 13 1 1 A 58 58 LYS C C 58 178.652 178.175 0.477 1
1 660 . 13 1 1 A 58 58 LYS CA C 58 61.026 60.403 0.623 1
1 661 . 13 1 1 A 58 58 LYS CB C 58 31.655 32.205 -0.550 1
1 665 . 13 1 1 A 58 58 LYS N N 58 123.883 126.980 -3.097 1
1 666 . 13 1 1 A 59 59 ARG H H 59 8.834 7.782 1.052 1
1 667 . 13 1 1 A 59 59 ARG HA H 59 4.120 4.115 0.005 1
1 674 . 13 1 1 A 59 59 ARG C C 59 177.872 178.855 -0.983 1
1 675 . 13 1 1 A 59 59 ARG CA C 59 58.851 58.808 0.043 1
1 676 . 13 1 1 A 59 59 ARG CB C 59 29.832 29.731 0.101 1
1 679 . 13 1 1 A 59 59 ARG N N 59 117.315 119.597 -2.282 1
1 680 . 13 1 1 A 60 60 VAL H H 60 6.892 8.162 -1.270 1
1 681 . 13 1 1 A 60 60 VAL HA H 60 3.677 3.761 -0.084 1
1 689 . 13 1 1 A 60 60 VAL C C 60 178.701 178.687 0.014 1
1 690 . 13 1 1 A 60 60 VAL CA C 60 65.741 66.133 -0.392 1
1 691 . 13 1 1 A 60 60 VAL CB C 60 31.520 31.591 -0.071 1
1 694 . 13 1 1 A 60 60 VAL N N 60 117.560 119.834 -2.274 1
1 695 . 13 1 1 A 61 61 VAL H H 61 7.394 8.247 -0.853 1
1 696 . 13 1 1 A 61 61 VAL HA H 61 3.647 3.671 -0.024 1
1 704 . 13 1 1 A 61 61 VAL C C 61 177.385 178.354 -0.969 1
1 705 . 13 1 1 A 61 61 VAL CA C 61 67.232 66.897 0.335 1
1 706 . 13 1 1 A 61 61 VAL CB C 61 32.125 31.334 0.791 1
1 709 . 13 1 1 A 61 61 VAL N N 61 119.625 120.843 -1.218 1
1 710 . 13 1 1 A 62 62 GLN H H 62 8.681 8.350 0.331 1
1 711 . 13 1 1 A 62 62 GLN HA H 62 4.047 4.009 0.038 1
1 718 . 13 1 1 A 62 62 GLN C C 62 178.798 178.468 0.330 1
1 719 . 13 1 1 A 62 62 GLN CA C 62 60.169 59.013 1.156 1
1 720 . 13 1 1 A 62 62 GLN CB C 62 28.935 28.708 0.227 1
1 722 . 13 1 1 A 62 62 GLN N N 62 119.803 119.853 -0.050 1
1 724 . 13 1 1 A 63 63 VAL H H 63 8.279 8.459 -0.180 1
1 725 . 13 1 1 A 63 63 VAL HA H 63 3.703 3.633 0.070 1
1 733 . 13 1 1 A 63 63 VAL C C 63 177.263 178.052 -0.789 1
1 734 . 13 1 1 A 63 63 VAL CA C 63 66.384 66.577 -0.193 1
1 735 . 13 1 1 A 63 63 VAL CB C 63 31.983 31.715 0.268 1
1 738 . 13 1 1 A 63 63 VAL N N 63 120.104 119.357 0.747 1
1 739 . 13 1 1 A 64 64 TRP H H 64 8.376 8.361 0.015 1
1 740 . 13 1 1 A 64 64 TRP HA H 64 4.015 4.193 -0.178 1
1 749 . 13 1 1 A 64 64 TRP C C 64 180.309 177.825 2.484 1
1 750 . 13 1 1 A 64 64 TRP CA C 64 63.421 60.629 2.792 1
1 751 . 13 1 1 A 64 64 TRP CB C 64 28.382 29.907 -1.525 1
1 757 . 13 1 1 A 64 64 TRP N N 64 122.121 121.083 1.038 1
1 759 . 13 1 1 A 65 65 PHE H H 65 9.032 8.123 0.909 1
1 760 . 13 1 1 A 65 65 PHE HA H 65 3.662 4.275 -0.613 1
1 768 . 13 1 1 A 65 65 PHE C C 65 178.214 178.764 -0.550 1
1 769 . 13 1 1 A 65 65 PHE CA C 65 63.919 61.182 2.737 1
1 770 . 13 1 1 A 65 65 PHE CB C 65 39.512 39.519 -0.007 1
1 776 . 13 1 1 A 65 65 PHE N N 65 120.975 116.767 4.208 1
1 777 . 13 1 1 A 66 66 GLN H H 66 8.021 8.187 -0.166 1
1 778 . 13 1 1 A 66 66 GLN HA H 66 3.957 4.079 -0.122 1
1 785 . 13 1 1 A 66 66 GLN C C 66 179.066 177.993 1.073 1
1 786 . 13 1 1 A 66 66 GLN CA C 66 59.426 58.752 0.674 1
1 787 . 13 1 1 A 66 66 GLN CB C 66 28.536 28.082 0.454 1
1 789 . 13 1 1 A 66 66 GLN N N 66 117.887 116.992 0.895 1
1 791 . 13 1 1 A 67 67 ASN H H 67 8.807 8.182 0.625 1
1 792 . 13 1 1 A 67 67 ASN HA H 67 4.331 4.521 -0.190 1
1 797 . 13 1 1 A 67 67 ASN C C 67 177.775 177.774 0.001 1
1 798 . 13 1 1 A 67 67 ASN CA C 67 55.461 56.054 -0.593 1
1 799 . 13 1 1 A 67 67 ASN CB C 67 37.718 38.354 -0.636 1
1 800 . 13 1 1 A 67 67 ASN N N 67 119.312 118.484 0.828 1
1 802 . 13 1 1 A 68 68 THR H H 68 8.092 7.285 0.807 1
1 803 . 13 1 1 A 68 68 THR HA H 68 3.262 3.441 -0.179 1
1 808 . 13 1 1 A 68 68 THR C C 68 175.972 176.201 -0.229 1
1 809 . 13 1 1 A 68 68 THR CA C 68 66.903 66.807 0.096 1
1 810 . 13 1 1 A 68 68 THR CB C 68 67.800 67.781 0.019 1
1 812 . 13 1 1 A 68 68 THR N N 68 120.500 116.181 4.319 1
1 813 . 13 1 1 A 69 69 ARG H H 69 8.154 7.944 0.210 1
1 814 . 13 1 1 A 69 69 ARG HA H 69 4.362 4.247 0.115 1
1 821 . 13 1 1 A 69 69 ARG C C 69 179.432 178.537 0.895 1
1 822 . 13 1 1 A 69 69 ARG CA C 69 59.805 59.953 -0.148 1
1 823 . 13 1 1 A 69 69 ARG CB C 69 31.490 30.175 1.315 1
1 826 . 13 1 1 A 69 69 ARG N N 69 121.451 120.289 1.162 1
1 827 . 13 1 1 A 70 70 ALA H H 70 7.686 7.782 -0.096 1
1 828 . 13 1 1 A 70 70 ALA HA H 70 4.107 4.066 0.041 1
1 832 . 13 1 1 A 70 70 ALA C C 70 179.724 179.695 0.029 1
1 833 . 13 1 1 A 70 70 ALA CA C 70 54.512 55.159 -0.647 1
1 834 . 13 1 1 A 70 70 ALA CB C 70 18.187 18.412 -0.225 1
1 835 . 13 1 1 A 70 70 ALA N N 70 119.887 121.677 -1.790 1
1 836 . 13 1 1 A 71 71 ARG H H 71 7.588 7.938 -0.350 1
1 837 . 13 1 1 A 71 71 ARG HA H 71 4.073 3.932 0.141 1
1 844 . 13 1 1 A 71 71 ARG C C 71 177.775 179.363 -1.588 1
1 845 . 13 1 1 A 71 71 ARG CA C 71 57.849 59.765 -1.916 1
1 846 . 13 1 1 A 71 71 ARG CB C 71 30.419 30.149 0.270 1
1 849 . 13 1 1 A 71 71 ARG N N 71 117.554 117.558 -0.004 1
1 850 . 13 1 1 A 72 72 GLU H H 72 7.776 8.346 -0.570 1
1 851 . 13 1 1 A 72 72 GLU HA H 72 4.129 3.961 0.168 1
1 856 . 13 1 1 A 72 72 GLU C C 72 177.190 179.568 -2.378 1
1 857 . 13 1 1 A 72 72 GLU CA C 72 57.625 59.410 -1.785 1
1 858 . 13 1 1 A 72 72 GLU CB C 72 29.815 29.405 0.410 1
1 860 . 13 1 1 A 72 72 GLU N N 72 119.019 119.601 -0.582 1
1 861 . 13 1 1 A 73 73 ARG H H 73 7.956 7.331 0.625 1
1 862 . 13 1 1 A 73 73 ARG HA H 73 4.228 4.251 -0.023 1
1 869 . 13 1 1 A 73 73 ARG C C 73 176.581 176.882 -0.301 1
1 870 . 13 1 1 A 73 73 ARG CA C 73 56.773 58.968 -2.195 1
1 871 . 13 1 1 A 73 73 ARG CB C 73 30.254 30.204 0.050 1
1 874 . 13 1 1 A 73 73 ARG N N 73 119.948 119.513 0.435 1
1 875 . 13 1 1 A 74 74 LYS H H 74 8.155 7.589 0.566 1
1 876 . 13 1 1 A 74 74 LYS HA H 74 4.329 4.069 0.260 1
1 885 . 13 1 1 A 74 74 LYS C C 74 176.703 175.410 1.293 1
1 886 . 13 1 1 A 74 74 LYS CA C 74 56.458 57.343 -0.885 1
1 887 . 13 1 1 A 74 74 LYS CB C 74 32.825 33.053 -0.228 1
1 891 . 13 1 1 A 74 74 LYS N N 74 121.577 121.451 0.126 1
1 892 . 13 1 1 A 75 75 SER H H 75 8.246 8.618 -0.372 1
1 893 . 13 1 1 A 75 75 SER HA H 75 4.474 5.208 -0.734 1
1 896 . 13 1 1 A 75 75 SER C C 75 174.486 173.336 1.150 1
1 897 . 13 1 1 A 75 75 SER CA C 75 58.365 57.381 0.984 1
1 898 . 13 1 1 A 75 75 SER CB C 75 63.967 66.762 -2.795 1
1 899 . 13 1 1 A 75 75 SER N N 75 116.340 123.698 -7.358 1
1 900 . 13 1 1 A 76 76 GLY H H 76 8.205 8.257 -0.052 1
1 901 . 13 1 1 A 76 76 GLY HA2 H 76 4.118 4.108 0.010 1
1 902 . 13 1 1 A 76 76 GLY HA3 H 76 4.118 4.109 0.009 1
1 903 . 13 1 1 A 76 76 GLY C C 76 171.758 173.010 -1.252 1
1 904 . 13 1 1 A 76 76 GLY CA C 76 44.661 44.011 0.650 1
1 905 . 13 1 1 A 76 76 GLY N N 76 110.555 110.019 0.536 1
1 906 . 13 1 1 A 77 77 PRO HA H 77 4.450 4.558 -0.108 1
1 913 . 13 1 1 A 77 77 PRO C C 77 177.458 176.357 1.101 1
1 914 . 13 1 1 A 77 77 PRO CA C 77 63.249 62.678 0.571 1
1 915 . 13 1 1 A 77 77 PRO CB C 77 32.180 32.959 -0.779 1
1 918 . 13 1 1 A 78 78 SER H H 78 8.525 8.353 0.172 1
1 919 . 13 1 1 A 78 78 SER HA H 78 4.471 4.792 -0.321 1
1 922 . 13 1 1 A 78 78 SER C C 78 174.648 173.526 1.122 1
1 923 . 13 1 1 A 78 78 SER CA C 78 58.460 57.644 0.816 1
1 924 . 13 1 1 A 78 78 SER CB C 78 63.885 62.451 1.434 1
1 925 . 13 1 1 A 78 78 SER N N 78 116.381 114.856 1.525 1
1 926 . 13 1 1 A 79 79 SER H H 79 8.309 8.018 0.291 1
1 927 . 13 1 1 A 79 79 SER HA H 79 4.457 4.336 0.121 1
1 930 . 13 1 1 A 79 79 SER C C 79 173.925 174.954 -1.029 1
1 931 . 13 1 1 A 79 79 SER CA C 79 58.401 60.290 -1.889 1
1 932 . 13 1 1 A 79 79 SER CB C 79 64.132 62.633 1.499 1
1 933 . 13 1 1 A 79 79 SER N N 79 117.741 122.366 -4.625 1
1 1 . 14 1 1 A 8 8 GLY HA2 H 8 4.031 4.066 -0.035 1
1 2 . 14 1 1 A 8 8 GLY HA3 H 8 4.031 4.066 -0.035 1
1 3 . 14 1 1 A 8 8 GLY C C 8 174.729 173.610 1.119 1
1 4 . 14 1 1 A 8 8 GLY CA C 8 45.278 44.731 0.547 1
1 5 . 14 1 1 A 9 9 THR H H 9 8.248 8.310 -0.062 1
1 6 . 14 1 1 A 9 9 THR HA H 9 4.376 4.165 0.211 1
1 11 . 14 1 1 A 9 9 THR C C 9 175.485 174.594 0.891 1
1 12 . 14 1 1 A 9 9 THR CA C 9 61.837 62.278 -0.441 1
1 13 . 14 1 1 A 9 9 THR CB C 9 69.737 69.839 -0.102 1
1 15 . 14 1 1 A 9 9 THR N N 9 112.908 113.324 -0.416 1
1 16 . 14 1 1 A 10 10 GLY H H 10 8.581 8.648 -0.067 1
1 17 . 14 1 1 A 10 10 GLY HA2 H 10 3.985 3.989 -0.004 1
1 18 . 14 1 1 A 10 10 GLY HA3 H 10 3.985 3.989 -0.004 1
1 19 . 14 1 1 A 10 10 GLY C C 10 174.705 175.332 -0.627 1
1 20 . 14 1 1 A 10 10 GLY CA C 10 45.455 45.258 0.197 1
1 21 . 14 1 1 A 10 10 GLY N N 10 111.487 109.988 1.499 1
1 22 . 14 1 1 A 11 11 GLY H H 11 8.286 7.964 0.322 1
1 23 . 14 1 1 A 11 11 GLY HA2 H 11 3.958 4.019 -0.061 1
1 24 . 14 1 1 A 11 11 GLY HA3 H 11 3.958 4.020 -0.062 1
1 25 . 14 1 1 A 11 11 GLY C C 11 174.071 173.046 1.025 1
1 26 . 14 1 1 A 11 11 GLY CA C 11 45.101 43.987 1.114 1
1 27 . 14 1 1 A 11 11 GLY N N 11 108.887 108.093 0.794 1
1 28 . 14 1 1 A 12 12 GLU H H 12 8.333 8.719 -0.386 1
1 29 . 14 1 1 A 12 12 GLU HA H 12 4.271 5.047 -0.776 1
1 34 . 14 1 1 A 12 12 GLU C C 12 176.435 175.385 1.050 1
1 35 . 14 1 1 A 12 12 GLU CA C 12 56.278 54.301 1.977 1
1 36 . 14 1 1 A 12 12 GLU CB C 12 30.358 32.914 -2.556 1
1 38 . 14 1 1 A 12 12 GLU N N 12 120.407 118.364 2.043 1
1 39 . 14 1 1 A 13 13 GLU H H 13 8.546 8.431 0.115 1
1 40 . 14 1 1 A 13 13 GLU HA H 13 4.521 4.344 0.177 1
1 45 . 14 1 1 A 13 13 GLU C C 13 174.648 175.773 -1.125 1
1 46 . 14 1 1 A 13 13 GLU CA C 13 54.687 55.384 -0.697 1
1 47 . 14 1 1 A 13 13 GLU CB C 13 29.688 29.649 0.039 1
1 49 . 14 1 1 A 13 13 GLU N N 13 123.832 119.477 4.355 1
1 50 . 14 1 1 A 14 14 PRO HA H 14 4.375 4.612 -0.237 1
1 57 . 14 1 1 A 14 14 PRO C C 14 177.117 177.820 -0.703 1
1 58 . 14 1 1 A 14 14 PRO CA C 14 63.379 62.645 0.734 1
1 59 . 14 1 1 A 14 14 PRO CB C 14 32.003 31.334 0.669 1
1 62 . 14 1 1 A 15 15 GLN H H 15 8.543 8.618 -0.075 1
1 63 . 14 1 1 A 15 15 GLN HA H 15 4.230 3.933 0.297 1
1 70 . 14 1 1 A 15 15 GLN C C 15 176.459 176.838 -0.379 1
1 71 . 14 1 1 A 15 15 GLN CA C 15 56.171 59.410 -3.239 1
1 72 . 14 1 1 A 15 15 GLN CB C 15 28.935 28.503 0.432 1
1 74 . 14 1 1 A 15 15 GLN N N 15 120.153 123.167 -3.014 1
1 76 . 14 1 1 A 16 16 ARG H H 16 8.337 7.687 0.650 1
1 77 . 14 1 1 A 16 16 ARG HA H 16 4.219 4.163 0.056 1
1 84 . 14 1 1 A 16 16 ARG C C 16 176.216 175.148 1.068 1
1 85 . 14 1 1 A 16 16 ARG CA C 16 56.809 56.456 0.353 1
1 86 . 14 1 1 A 16 16 ARG CB C 16 30.666 30.995 -0.329 1
1 89 . 14 1 1 A 16 16 ARG N N 16 122.090 120.162 1.928 1
1 90 . 14 1 1 A 17 17 ASP H H 17 8.313 8.492 -0.179 1
1 91 . 14 1 1 A 17 17 ASP HA H 17 4.523 5.409 -0.886 1
1 94 . 14 1 1 A 17 17 ASP C C 17 176.727 175.807 0.920 1
1 95 . 14 1 1 A 17 17 ASP CA C 17 54.591 52.660 1.931 1
1 96 . 14 1 1 A 17 17 ASP CB C 17 41.097 43.227 -2.130 1
1 97 . 14 1 1 A 17 17 ASP N N 17 120.664 124.601 -3.937 1
1 98 . 14 1 1 A 18 18 LYS H H 18 8.276 8.915 -0.639 1
1 99 . 14 1 1 A 18 18 LYS HA H 18 4.175 4.370 -0.195 1
1 108 . 14 1 1 A 18 18 LYS C C 18 176.971 178.091 -1.120 1
1 109 . 14 1 1 A 18 18 LYS CA C 18 56.971 58.041 -1.070 1
1 110 . 14 1 1 A 18 18 LYS CB C 18 32.562 33.299 -0.737 1
1 114 . 14 1 1 A 18 18 LYS N N 18 122.504 124.701 -2.197 1
1 115 . 14 1 1 A 19 19 ARG H H 19 8.240 8.055 0.185 1
1 116 . 14 1 1 A 19 19 ARG HA H 19 4.205 4.051 0.154 1
1 123 . 14 1 1 A 19 19 ARG C C 19 176.532 176.415 0.117 1
1 124 . 14 1 1 A 19 19 ARG CA C 19 56.632 58.494 -1.862 1
1 125 . 14 1 1 A 19 19 ARG CB C 19 30.647 29.686 0.961 1
1 128 . 14 1 1 A 19 19 ARG N N 19 120.296 119.701 0.595 1
1 129 . 14 1 1 A 20 20 LEU H H 20 8.068 7.592 0.476 1
1 130 . 14 1 1 A 20 20 LEU HA H 20 4.262 4.380 -0.118 1
1 140 . 14 1 1 A 20 20 LEU C C 20 177.288 176.883 0.405 1
1 141 . 14 1 1 A 20 20 LEU CA C 20 55.110 54.568 0.542 1
1 142 . 14 1 1 A 20 20 LEU CB C 20 42.081 40.886 1.195 1
1 146 . 14 1 1 A 20 20 LEU N N 20 121.867 121.578 0.289 1
1 147 . 14 1 1 A 21 21 ARG H H 21 8.226 8.566 -0.340 1
1 148 . 14 1 1 A 21 21 ARG HA H 21 4.413 4.895 -0.482 1
1 155 . 14 1 1 A 21 21 ARG C C 21 176.313 176.193 0.120 1
1 156 . 14 1 1 A 21 21 ARG CA C 21 56.194 53.910 2.284 1
1 157 . 14 1 1 A 21 21 ARG CB C 21 30.996 34.475 -3.479 1
1 160 . 14 1 1 A 21 21 ARG N N 21 121.612 124.702 -3.090 1
1 161 . 14 1 1 A 22 22 THR H H 22 8.215 8.472 -0.257 1
1 162 . 14 1 1 A 22 22 THR HA H 22 4.405 4.218 0.187 1
1 167 . 14 1 1 A 22 22 THR C C 22 174.169 174.448 -0.279 1
1 168 . 14 1 1 A 22 22 THR CA C 22 61.963 64.380 -2.417 1
1 169 . 14 1 1 A 22 22 THR CB C 22 69.779 69.293 0.486 1
1 171 . 14 1 1 A 22 22 THR N N 22 114.661 117.632 -2.971 1
1 172 . 14 1 1 A 23 23 THR H H 23 8.087 7.538 0.549 1
1 173 . 14 1 1 A 23 23 THR HA H 23 4.308 4.549 -0.241 1
1 178 . 14 1 1 A 23 23 THR C C 23 173.413 173.621 -0.208 1
1 179 . 14 1 1 A 23 23 THR CA C 23 62.158 60.936 1.222 1
1 180 . 14 1 1 A 23 23 THR CB C 23 69.916 71.147 -1.231 1
1 182 . 14 1 1 A 23 23 THR N N 23 118.008 111.525 6.483 1
1 183 . 14 1 1 A 24 24 ILE H H 24 8.110 8.487 -0.377 1
1 184 . 14 1 1 A 24 24 ILE HA H 24 4.200 4.953 -0.753 1
1 194 . 14 1 1 A 24 24 ILE C C 24 176.654 175.702 0.952 1
1 195 . 14 1 1 A 24 24 ILE CA C 24 61.690 59.856 1.834 1
1 196 . 14 1 1 A 24 24 ILE CB C 24 39.487 41.799 -2.312 1
1 200 . 14 1 1 A 24 24 ILE N N 24 124.852 120.898 3.954 1
1 201 . 14 1 1 A 25 25 THR H H 25 9.023 8.330 0.693 1
1 202 . 14 1 1 A 25 25 THR HA H 25 4.564 4.979 -0.415 1
1 207 . 14 1 1 A 25 25 THR C C 25 173.433 174.302 -0.869 1
1 208 . 14 1 1 A 25 25 THR CA C 25 60.759 58.576 2.183 1
1 209 . 14 1 1 A 25 25 THR CB C 25 68.089 69.805 -1.716 1
1 211 . 14 1 1 A 25 25 THR N N 25 120.568 115.556 5.012 1
1 212 . 14 1 1 A 26 26 PRO HA H 26 4.172 4.569 -0.397 1
1 219 . 14 1 1 A 26 26 PRO C C 26 179.237 177.381 1.856 1
1 220 . 14 1 1 A 26 26 PRO CA C 26 65.917 64.562 1.355 1
1 221 . 14 1 1 A 26 26 PRO CB C 26 31.725 31.741 -0.016 1
1 224 . 14 1 1 A 27 27 GLU H H 27 8.722 8.502 0.220 1
1 225 . 14 1 1 A 27 27 GLU HA H 27 4.006 4.253 -0.247 1
1 230 . 14 1 1 A 27 27 GLU C C 27 179.749 177.972 1.777 1
1 231 . 14 1 1 A 27 27 GLU CA C 27 60.353 57.601 2.752 1
1 232 . 14 1 1 A 27 27 GLU CB C 27 28.851 30.036 -1.185 1
1 234 . 14 1 1 A 27 27 GLU N N 27 117.087 117.364 -0.277 1
1 235 . 14 1 1 A 28 28 GLN H H 28 7.666 7.962 -0.296 1
1 236 . 14 1 1 A 28 28 GLN HA H 28 3.767 4.147 -0.380 1
1 243 . 14 1 1 A 28 28 GLN C C 28 177.872 177.912 -0.040 1
1 244 . 14 1 1 A 28 28 GLN CA C 28 58.821 58.149 0.672 1
1 245 . 14 1 1 A 28 28 GLN CB C 28 29.401 29.050 0.351 1
1 247 . 14 1 1 A 28 28 GLN N N 28 119.298 118.805 0.493 1
1 249 . 14 1 1 A 29 29 LEU H H 29 8.453 8.002 0.451 1
1 250 . 14 1 1 A 29 29 LEU HA H 29 3.484 3.596 -0.112 1
1 260 . 14 1 1 A 29 29 LEU C C 29 178.092 178.645 -0.553 1
1 261 . 14 1 1 A 29 29 LEU CA C 29 57.737 57.610 0.127 1
1 262 . 14 1 1 A 29 29 LEU CB C 29 41.578 41.666 -0.088 1
1 266 . 14 1 1 A 29 29 LEU N N 29 120.145 120.424 -0.279 1
1 267 . 14 1 1 A 30 30 GLU H H 30 7.607 8.347 -0.740 1
1 268 . 14 1 1 A 30 30 GLU HA H 30 4.069 4.104 -0.035 1
1 273 . 14 1 1 A 30 30 GLU C C 30 179.140 179.390 -0.250 1
1 274 . 14 1 1 A 30 30 GLU CA C 30 59.334 59.681 -0.347 1
1 275 . 14 1 1 A 30 30 GLU CB C 30 29.512 29.364 0.148 1
1 277 . 14 1 1 A 30 30 GLU N N 30 116.903 116.600 0.303 1
1 278 . 14 1 1 A 31 31 ILE H H 31 7.070 8.052 -0.982 1
1 279 . 14 1 1 A 31 31 ILE HA H 31 3.692 3.660 0.032 1
1 289 . 14 1 1 A 31 31 ILE C C 31 178.287 178.619 -0.332 1
1 290 . 14 1 1 A 31 31 ILE CA C 31 64.416 65.805 -1.389 1
1 291 . 14 1 1 A 31 31 ILE CB C 31 37.777 37.976 -0.199 1
1 295 . 14 1 1 A 31 31 ILE N N 31 118.947 120.902 -1.955 1
1 296 . 14 1 1 A 32 32 LEU H H 32 8.126 8.132 -0.006 1
1 297 . 14 1 1 A 32 32 LEU HA H 32 3.418 3.844 -0.426 1
1 307 . 14 1 1 A 32 32 LEU C C 32 178.311 178.812 -0.501 1
1 308 . 14 1 1 A 32 32 LEU CA C 32 58.497 57.952 0.545 1
1 309 . 14 1 1 A 32 32 LEU CB C 32 38.146 41.326 -3.180 1
1 313 . 14 1 1 A 32 32 LEU N N 32 120.437 119.006 1.431 1
1 314 . 14 1 1 A 33 33 TYR H H 33 8.312 8.524 -0.212 1
1 315 . 14 1 1 A 33 33 TYR HA H 33 4.358 4.674 -0.316 1
1 322 . 14 1 1 A 33 33 TYR C C 33 178.214 178.518 -0.304 1
1 323 . 14 1 1 A 33 33 TYR CA C 33 62.645 60.942 1.703 1
1 324 . 14 1 1 A 33 33 TYR CB C 33 37.807 38.060 -0.253 1
1 329 . 14 1 1 A 33 33 TYR N N 33 117.248 117.891 -0.643 1
1 330 . 14 1 1 A 34 34 GLN H H 34 7.750 8.489 -0.739 1
1 331 . 14 1 1 A 34 34 GLN HA H 34 3.967 3.888 0.079 1
1 338 . 14 1 1 A 34 34 GLN C C 34 180.065 179.148 0.917 1
1 339 . 14 1 1 A 34 34 GLN CA C 34 59.143 59.648 -0.505 1
1 340 . 14 1 1 A 34 34 GLN CB C 34 27.781 29.233 -1.452 1
1 342 . 14 1 1 A 34 34 GLN N N 34 117.509 118.097 -0.588 1
1 344 . 14 1 1 A 35 35 LYS H H 35 8.381 8.134 0.247 1
1 345 . 14 1 1 A 35 35 LYS HA H 35 4.132 4.242 -0.110 1
1 354 . 14 1 1 A 35 35 LYS C C 35 179.456 178.853 0.603 1
1 355 . 14 1 1 A 35 35 LYS CA C 35 57.839 58.806 -0.967 1
1 356 . 14 1 1 A 35 35 LYS CB C 35 31.487 32.401 -0.914 1
1 360 . 14 1 1 A 35 35 LYS N N 35 117.671 119.727 -2.056 1
1 361 . 14 1 1 A 36 36 TYR H H 36 9.036 8.548 0.488 1
1 362 . 14 1 1 A 36 36 TYR HA H 36 4.164 4.819 -0.655 1
1 369 . 14 1 1 A 36 36 TYR C C 36 176.630 177.391 -0.761 1
1 370 . 14 1 1 A 36 36 TYR CA C 36 61.726 61.461 0.265 1
1 371 . 14 1 1 A 36 36 TYR CB C 36 38.579 38.407 0.172 1
1 376 . 14 1 1 A 36 36 TYR N N 36 124.434 123.216 1.218 1
1 377 . 14 1 1 A 37 37 LEU H H 37 7.848 9.025 -1.177 1
1 378 . 14 1 1 A 37 37 LEU HA H 37 3.918 3.860 0.058 1
1 388 . 14 1 1 A 37 37 LEU C C 37 179.334 179.165 0.169 1
1 389 . 14 1 1 A 37 37 LEU CA C 37 56.827 57.932 -1.105 1
1 390 . 14 1 1 A 37 37 LEU CB C 37 42.069 41.771 0.298 1
1 394 . 14 1 1 A 37 37 LEU N N 37 116.192 119.907 -3.715 1
1 395 . 14 1 1 A 38 38 LEU H H 38 7.230 7.389 -0.159 1
1 396 . 14 1 1 A 38 38 LEU HA H 38 4.150 4.327 -0.177 1
1 406 . 14 1 1 A 38 38 LEU C C 38 178.116 175.974 2.142 1
1 407 . 14 1 1 A 38 38 LEU CA C 38 56.915 55.870 1.045 1
1 408 . 14 1 1 A 38 38 LEU CB C 38 42.336 42.818 -0.482 1
1 412 . 14 1 1 A 38 38 LEU N N 38 118.422 113.268 5.154 1
1 413 . 14 1 1 A 39 39 ASP H H 39 7.543 8.137 -0.594 1
1 414 . 14 1 1 A 39 39 ASP HA H 39 4.364 4.930 -0.566 1
1 417 . 14 1 1 A 39 39 ASP C C 39 174.778 175.889 -1.111 1
1 418 . 14 1 1 A 39 39 ASP CA C 39 54.731 53.041 1.690 1
1 419 . 14 1 1 A 39 39 ASP CB C 39 41.134 42.083 -0.949 1
1 420 . 14 1 1 A 39 39 ASP N N 39 117.417 119.727 -2.310 1
1 421 . 14 1 1 A 40 40 SER H H 40 8.240 8.757 -0.517 1
1 422 . 14 1 1 A 40 40 SER HA H 40 3.984 4.678 -0.694 1
1 425 . 14 1 1 A 40 40 SER C C 40 174.169 174.552 -0.383 1
1 426 . 14 1 1 A 40 40 SER CA C 40 58.825 59.263 -0.438 1
1 427 . 14 1 1 A 40 40 SER CB C 40 63.964 63.968 -0.004 1
1 428 . 14 1 1 A 40 40 SER N N 40 119.077 121.116 -2.039 1
1 429 . 14 1 1 A 41 41 ASN H H 41 8.711 8.116 0.595 1
1 430 . 14 1 1 A 41 41 ASN HA H 41 5.007 5.133 -0.126 1
1 435 . 14 1 1 A 41 41 ASN C C 41 171.078 173.512 -2.434 1
1 436 . 14 1 1 A 41 41 ASN CA C 41 51.291 50.993 0.298 1
1 437 . 14 1 1 A 41 41 ASN CB C 41 39.815 39.008 0.807 1
1 438 . 14 1 1 A 41 41 ASN N N 41 119.546 117.853 1.693 1
1 440 . 14 1 1 A 42 42 PRO HA H 42 4.408 4.685 -0.277 1
1 447 . 14 1 1 A 42 42 PRO C C 42 177.028 175.821 1.207 1
1 448 . 14 1 1 A 42 42 PRO CA C 42 62.678 62.568 0.110 1
1 449 . 14 1 1 A 42 42 PRO CB C 42 31.869 32.539 -0.670 1
1 452 . 14 1 1 A 43 43 THR H H 43 7.797 8.346 -0.549 1
1 453 . 14 1 1 A 43 43 THR HA H 43 4.205 4.707 -0.502 1
1 458 . 14 1 1 A 43 43 THR C C 43 174.729 175.098 -0.369 1
1 459 . 14 1 1 A 43 43 THR CA C 43 60.690 60.024 0.666 1
1 460 . 14 1 1 A 43 43 THR CB C 43 71.138 71.020 0.118 1
1 462 . 14 1 1 A 43 43 THR N N 43 111.399 116.682 -5.283 1
1 463 . 14 1 1 A 44 44 ARG H H 44 8.718 9.037 -0.319 1
1 464 . 14 1 1 A 44 44 ARG HA H 44 3.863 3.936 -0.073 1
1 471 . 14 1 1 A 44 44 ARG C C 44 178.384 177.844 0.540 1
1 472 . 14 1 1 A 44 44 ARG CA C 44 60.014 59.866 0.148 1
1 473 . 14 1 1 A 44 44 ARG CB C 44 29.512 30.090 -0.578 1
1 476 . 14 1 1 A 44 44 ARG N N 44 120.640 126.975 -6.335 1
1 477 . 14 1 1 A 45 45 LYS H H 45 8.142 7.892 0.250 1
1 478 . 14 1 1 A 45 45 LYS HA H 45 4.070 4.009 0.061 1
1 487 . 14 1 1 A 45 45 LYS C C 45 179.334 178.609 0.725 1
1 488 . 14 1 1 A 45 45 LYS CA C 45 59.170 59.413 -0.243 1
1 489 . 14 1 1 A 45 45 LYS CB C 45 32.457 32.342 0.115 1
1 493 . 14 1 1 A 45 45 LYS N N 45 117.851 119.288 -1.437 1
1 494 . 14 1 1 A 46 46 MET H H 46 7.560 8.142 -0.582 1
1 495 . 14 1 1 A 46 46 MET HA H 46 4.329 4.145 0.184 1
1 503 . 14 1 1 A 46 46 MET C C 46 178.774 178.803 -0.029 1
1 504 . 14 1 1 A 46 46 MET CA C 46 57.799 58.698 -0.899 1
1 505 . 14 1 1 A 46 46 MET CB C 46 32.210 32.606 -0.396 1
1 508 . 14 1 1 A 46 46 MET N N 46 119.433 118.361 1.072 1
1 509 . 14 1 1 A 47 47 LEU H H 47 8.624 8.180 0.444 1
1 510 . 14 1 1 A 47 47 LEU HA H 47 3.758 3.817 -0.059 1
1 520 . 14 1 1 A 47 47 LEU C C 47 178.701 179.316 -0.615 1
1 521 . 14 1 1 A 47 47 LEU CA C 47 58.648 57.682 0.966 1
1 522 . 14 1 1 A 47 47 LEU CB C 47 42.248 41.488 0.760 1
1 526 . 14 1 1 A 47 47 LEU N N 47 120.980 119.547 1.433 1
1 527 . 14 1 1 A 48 48 ASP H H 48 7.891 7.977 -0.086 1
1 528 . 14 1 1 A 48 48 ASP HA H 48 4.275 4.347 -0.072 1
1 531 . 14 1 1 A 48 48 ASP C C 48 178.798 178.516 0.282 1
1 532 . 14 1 1 A 48 48 ASP CA C 48 57.662 57.365 0.297 1
1 533 . 14 1 1 A 48 48 ASP CB C 48 40.347 41.114 -0.767 1
1 534 . 14 1 1 A 48 48 ASP N N 48 119.025 119.853 -0.828 1
1 535 . 14 1 1 A 49 49 HIS H H 49 7.760 7.782 -0.022 1
1 536 . 14 1 1 A 49 49 HIS HA H 49 4.390 4.295 0.095 1
1 540 . 14 1 1 A 49 49 HIS C C 49 178.287 177.227 1.060 1
1 541 . 14 1 1 A 49 49 HIS CA C 49 59.930 60.149 -0.219 1
1 542 . 14 1 1 A 49 49 HIS CB C 49 30.348 30.114 0.234 1
1 544 . 14 1 1 A 49 49 HIS N N 49 120.629 119.101 1.528 1
1 545 . 14 1 1 A 50 50 ILE H H 50 8.934 8.468 0.466 1
1 546 . 14 1 1 A 50 50 ILE HA H 50 3.619 3.588 0.031 1
1 556 . 14 1 1 A 50 50 ILE C C 50 177.410 178.148 -0.738 1
1 557 . 14 1 1 A 50 50 ILE CA C 50 65.779 65.588 0.191 1
1 558 . 14 1 1 A 50 50 ILE CB C 50 38.622 37.704 0.918 1
1 562 . 14 1 1 A 50 50 ILE N N 50 120.913 120.076 0.837 1
1 563 . 14 1 1 A 51 51 ALA H H 51 8.423 7.750 0.673 1
1 564 . 14 1 1 A 51 51 ALA HA H 51 3.859 4.127 -0.268 1
1 568 . 14 1 1 A 51 51 ALA C C 51 179.213 179.864 -0.651 1
1 569 . 14 1 1 A 51 51 ALA CA C 51 56.348 54.600 1.748 1
1 570 . 14 1 1 A 51 51 ALA CB C 51 17.292 18.121 -0.829 1
1 571 . 14 1 1 A 51 51 ALA N N 51 120.695 120.892 -0.197 1
1 572 . 14 1 1 A 52 52 HIS H H 52 7.735 8.225 -0.490 1
1 573 . 14 1 1 A 52 52 HIS HA H 52 4.273 4.167 0.106 1
1 577 . 14 1 1 A 52 52 HIS C C 52 177.799 177.189 0.610 1
1 578 . 14 1 1 A 52 52 HIS CA C 52 59.406 58.760 0.646 1
1 579 . 14 1 1 A 52 52 HIS CB C 52 29.842 29.977 -0.135 1
1 581 . 14 1 1 A 52 52 HIS N N 52 115.822 118.228 -2.406 1
1 582 . 14 1 1 A 53 53 GLU H H 53 8.299 8.507 -0.208 1
1 583 . 14 1 1 A 53 53 GLU HA H 53 3.842 3.978 -0.136 1
1 588 . 14 1 1 A 53 53 GLU C C 53 178.652 178.129 0.523 1
1 589 . 14 1 1 A 53 53 GLU CA C 53 59.434 59.177 0.257 1
1 590 . 14 1 1 A 53 53 GLU CB C 53 30.204 29.395 0.809 1
1 592 . 14 1 1 A 53 53 GLU N N 53 120.073 117.489 2.584 1
1 593 . 14 1 1 A 54 54 VAL H H 54 8.446 7.852 0.594 1
1 594 . 14 1 1 A 54 54 VAL HA H 54 4.150 3.987 0.163 1
1 602 . 14 1 1 A 54 54 VAL C C 54 175.899 176.320 -0.421 1
1 603 . 14 1 1 A 54 54 VAL CA C 54 62.001 63.436 -1.435 1
1 604 . 14 1 1 A 54 54 VAL CB C 54 33.000 32.099 0.901 1
1 607 . 14 1 1 A 54 54 VAL N N 54 112.194 118.108 -5.914 1
1 608 . 14 1 1 A 55 55 GLY H H 55 7.879 8.456 -0.577 1
1 609 . 14 1 1 A 55 55 GLY HA2 H 55 3.975 3.853 0.122 1
1 610 . 14 1 1 A 55 55 GLY HA3 H 55 3.814 3.888 -0.074 1
1 611 . 14 1 1 A 55 55 GLY C C 55 174.461 173.843 0.618 1
1 612 . 14 1 1 A 55 55 GLY CA C 55 46.551 46.498 0.053 1
1 613 . 14 1 1 A 55 55 GLY N N 55 111.306 110.644 0.662 1
1 614 . 14 1 1 A 56 56 LEU H H 56 7.766 7.379 0.387 1
1 615 . 14 1 1 A 56 56 LEU HA H 56 4.825 4.855 -0.030 1
1 625 . 14 1 1 A 56 56 LEU C C 56 175.704 175.469 0.235 1
1 626 . 14 1 1 A 56 56 LEU CA C 56 52.223 53.216 -0.993 1
1 627 . 14 1 1 A 56 56 LEU CB C 56 47.913 45.725 2.188 1
1 631 . 14 1 1 A 56 56 LEU N N 56 119.685 121.022 -1.337 1
1 632 . 14 1 1 A 57 57 LYS H H 57 8.268 8.450 -0.182 1
1 633 . 14 1 1 A 57 57 LYS HA H 57 4.212 4.229 -0.017 1
1 642 . 14 1 1 A 57 57 LYS C C 57 178.555 177.652 0.903 1
1 643 . 14 1 1 A 57 57 LYS CA C 57 56.375 57.186 -0.811 1
1 644 . 14 1 1 A 57 57 LYS CB C 57 32.750 32.472 0.278 1
1 648 . 14 1 1 A 57 57 LYS N N 57 118.380 123.451 -5.071 1
1 649 . 14 1 1 A 58 58 LYS H H 58 8.853 9.042 -0.189 1
1 650 . 14 1 1 A 58 58 LYS HA H 58 3.670 3.783 -0.113 1
1 659 . 14 1 1 A 58 58 LYS C C 58 178.652 178.244 0.408 1
1 660 . 14 1 1 A 58 58 LYS CA C 58 61.026 60.606 0.420 1
1 661 . 14 1 1 A 58 58 LYS CB C 58 31.655 32.278 -0.623 1
1 665 . 14 1 1 A 58 58 LYS N N 58 123.883 126.262 -2.379 1
1 666 . 14 1 1 A 59 59 ARG H H 59 8.834 7.624 1.210 1
1 667 . 14 1 1 A 59 59 ARG HA H 59 4.120 4.132 -0.012 1
1 674 . 14 1 1 A 59 59 ARG C C 59 177.872 178.789 -0.917 1
1 675 . 14 1 1 A 59 59 ARG CA C 59 58.851 58.729 0.122 1
1 676 . 14 1 1 A 59 59 ARG CB C 59 29.832 29.707 0.125 1
1 679 . 14 1 1 A 59 59 ARG N N 59 117.315 119.041 -1.726 1
1 680 . 14 1 1 A 60 60 VAL H H 60 6.892 8.099 -1.207 1
1 681 . 14 1 1 A 60 60 VAL HA H 60 3.677 3.754 -0.077 1
1 689 . 14 1 1 A 60 60 VAL C C 60 178.701 178.571 0.130 1
1 690 . 14 1 1 A 60 60 VAL CA C 60 65.741 66.251 -0.510 1
1 691 . 14 1 1 A 60 60 VAL CB C 60 31.520 31.471 0.049 1
1 694 . 14 1 1 A 60 60 VAL N N 60 117.560 119.774 -2.214 1
1 695 . 14 1 1 A 61 61 VAL H H 61 7.394 8.294 -0.900 1
1 696 . 14 1 1 A 61 61 VAL HA H 61 3.647 3.730 -0.083 1
1 704 . 14 1 1 A 61 61 VAL C C 61 177.385 178.401 -1.016 1
1 705 . 14 1 1 A 61 61 VAL CA C 61 67.232 66.728 0.504 1
1 706 . 14 1 1 A 61 61 VAL CB C 61 32.125 31.535 0.590 1
1 709 . 14 1 1 A 61 61 VAL N N 61 119.625 120.858 -1.233 1
1 710 . 14 1 1 A 62 62 GLN H H 62 8.681 8.226 0.455 1
1 711 . 14 1 1 A 62 62 GLN HA H 62 4.047 3.966 0.081 1
1 718 . 14 1 1 A 62 62 GLN C C 62 178.798 178.369 0.429 1
1 719 . 14 1 1 A 62 62 GLN CA C 62 60.169 58.874 1.295 1
1 720 . 14 1 1 A 62 62 GLN CB C 62 28.935 28.256 0.679 1
1 722 . 14 1 1 A 62 62 GLN N N 62 119.803 120.218 -0.415 1
1 724 . 14 1 1 A 63 63 VAL H H 63 8.279 7.976 0.303 1
1 725 . 14 1 1 A 63 63 VAL HA H 63 3.703 3.836 -0.133 1
1 733 . 14 1 1 A 63 63 VAL C C 63 177.263 178.020 -0.757 1
1 734 . 14 1 1 A 63 63 VAL CA C 63 66.384 65.691 0.693 1
1 735 . 14 1 1 A 63 63 VAL CB C 63 31.983 31.451 0.532 1
1 738 . 14 1 1 A 63 63 VAL N N 63 120.104 119.357 0.747 1
1 739 . 14 1 1 A 64 64 TRP H H 64 8.376 8.318 0.058 1
1 740 . 14 1 1 A 64 64 TRP HA H 64 4.015 4.241 -0.226 1
1 749 . 14 1 1 A 64 64 TRP C C 64 180.309 177.546 2.763 1
1 750 . 14 1 1 A 64 64 TRP CA C 64 63.421 60.319 3.102 1
1 751 . 14 1 1 A 64 64 TRP CB C 64 28.382 29.893 -1.511 1
1 757 . 14 1 1 A 64 64 TRP N N 64 122.121 122.044 0.077 1
1 759 . 14 1 1 A 65 65 PHE H H 65 9.032 8.008 1.024 1
1 760 . 14 1 1 A 65 65 PHE HA H 65 3.662 4.374 -0.712 1
1 768 . 14 1 1 A 65 65 PHE C C 65 178.214 178.662 -0.448 1
1 769 . 14 1 1 A 65 65 PHE CA C 65 63.919 60.381 3.538 1
1 770 . 14 1 1 A 65 65 PHE CB C 65 39.512 39.988 -0.476 1
1 776 . 14 1 1 A 65 65 PHE N N 65 120.975 115.756 5.219 1
1 777 . 14 1 1 A 66 66 GLN H H 66 8.021 8.356 -0.335 1
1 778 . 14 1 1 A 66 66 GLN HA H 66 3.957 4.077 -0.120 1
1 785 . 14 1 1 A 66 66 GLN C C 66 179.066 177.974 1.092 1
1 786 . 14 1 1 A 66 66 GLN CA C 66 59.426 58.776 0.650 1
1 787 . 14 1 1 A 66 66 GLN CB C 66 28.536 28.001 0.535 1
1 789 . 14 1 1 A 66 66 GLN N N 66 117.887 117.232 0.655 1
1 791 . 14 1 1 A 67 67 ASN H H 67 8.807 7.871 0.936 1
1 792 . 14 1 1 A 67 67 ASN HA H 67 4.331 4.511 -0.180 1
1 797 . 14 1 1 A 67 67 ASN C C 67 177.775 177.777 -0.002 1
1 798 . 14 1 1 A 67 67 ASN CA C 67 55.461 55.931 -0.470 1
1 799 . 14 1 1 A 67 67 ASN CB C 67 37.718 38.335 -0.617 1
1 800 . 14 1 1 A 67 67 ASN N N 67 119.312 118.385 0.927 1
1 802 . 14 1 1 A 68 68 THR H H 68 8.092 7.699 0.393 1
1 803 . 14 1 1 A 68 68 THR HA H 68 3.262 3.448 -0.186 1
1 808 . 14 1 1 A 68 68 THR C C 68 175.972 176.300 -0.328 1
1 809 . 14 1 1 A 68 68 THR CA C 68 66.903 66.828 0.075 1
1 810 . 14 1 1 A 68 68 THR CB C 68 67.800 67.853 -0.053 1
1 812 . 14 1 1 A 68 68 THR N N 68 120.500 116.203 4.297 1
1 813 . 14 1 1 A 69 69 ARG H H 69 8.154 7.913 0.241 1
1 814 . 14 1 1 A 69 69 ARG HA H 69 4.362 4.077 0.285 1
1 821 . 14 1 1 A 69 69 ARG C C 69 179.432 178.418 1.014 1
1 822 . 14 1 1 A 69 69 ARG CA C 69 59.805 59.925 -0.120 1
1 823 . 14 1 1 A 69 69 ARG CB C 69 31.490 30.244 1.246 1
1 826 . 14 1 1 A 69 69 ARG N N 69 121.451 120.225 1.226 1
1 827 . 14 1 1 A 70 70 ALA H H 70 7.686 7.665 0.021 1
1 828 . 14 1 1 A 70 70 ALA HA H 70 4.107 4.079 0.028 1
1 832 . 14 1 1 A 70 70 ALA C C 70 179.724 180.098 -0.374 1
1 833 . 14 1 1 A 70 70 ALA CA C 70 54.512 55.127 -0.615 1
1 834 . 14 1 1 A 70 70 ALA CB C 70 18.187 18.258 -0.071 1
1 835 . 14 1 1 A 70 70 ALA N N 70 119.887 121.990 -2.103 1
1 836 . 14 1 1 A 71 71 ARG H H 71 7.588 7.878 -0.290 1
1 837 . 14 1 1 A 71 71 ARG HA H 71 4.073 4.035 0.038 1
1 844 . 14 1 1 A 71 71 ARG C C 71 177.775 179.020 -1.245 1
1 845 . 14 1 1 A 71 71 ARG CA C 71 57.849 59.587 -1.738 1
1 846 . 14 1 1 A 71 71 ARG CB C 71 30.419 29.767 0.652 1
1 849 . 14 1 1 A 71 71 ARG N N 71 117.554 117.552 0.002 1
1 850 . 14 1 1 A 72 72 GLU H H 72 7.776 8.526 -0.750 1
1 851 . 14 1 1 A 72 72 GLU HA H 72 4.129 4.084 0.045 1
1 856 . 14 1 1 A 72 72 GLU C C 72 177.190 179.301 -2.111 1
1 857 . 14 1 1 A 72 72 GLU CA C 72 57.625 59.126 -1.501 1
1 858 . 14 1 1 A 72 72 GLU CB C 72 29.815 29.398 0.417 1
1 860 . 14 1 1 A 72 72 GLU N N 72 119.019 119.568 -0.549 1
1 861 . 14 1 1 A 73 73 ARG H H 73 7.956 8.303 -0.347 1
1 862 . 14 1 1 A 73 73 ARG HA H 73 4.228 4.232 -0.004 1
1 869 . 14 1 1 A 73 73 ARG C C 73 176.581 176.129 0.452 1
1 870 . 14 1 1 A 73 73 ARG CA C 73 56.773 57.793 -1.020 1
1 871 . 14 1 1 A 73 73 ARG CB C 73 30.254 29.574 0.680 1
1 874 . 14 1 1 A 73 73 ARG N N 73 119.948 117.471 2.477 1
1 875 . 14 1 1 A 74 74 LYS H H 74 8.155 7.362 0.793 1
1 876 . 14 1 1 A 74 74 LYS HA H 74 4.329 4.303 0.026 1
1 885 . 14 1 1 A 74 74 LYS C C 74 176.703 176.544 0.159 1
1 886 . 14 1 1 A 74 74 LYS CA C 74 56.458 56.124 0.334 1
1 887 . 14 1 1 A 74 74 LYS CB C 74 32.825 33.283 -0.458 1
1 891 . 14 1 1 A 74 74 LYS N N 74 121.577 121.713 -0.136 1
1 892 . 14 1 1 A 75 75 SER H H 75 8.246 8.924 -0.678 1
1 893 . 14 1 1 A 75 75 SER HA H 75 4.474 4.225 0.249 1
1 896 . 14 1 1 A 75 75 SER C C 75 174.486 175.480 -0.994 1
1 897 . 14 1 1 A 75 75 SER CA C 75 58.365 61.695 -3.330 1
1 898 . 14 1 1 A 75 75 SER CB C 75 63.967 63.686 0.281 1
1 899 . 14 1 1 A 75 75 SER N N 75 116.340 122.409 -6.069 1
1 900 . 14 1 1 A 76 76 GLY H H 76 8.205 7.811 0.394 1
1 901 . 14 1 1 A 76 76 GLY HA2 H 76 4.118 4.083 0.035 1
1 902 . 14 1 1 A 76 76 GLY HA3 H 76 4.118 4.084 0.034 1
1 903 . 14 1 1 A 76 76 GLY C C 76 171.758 173.351 -1.593 1
1 904 . 14 1 1 A 76 76 GLY CA C 76 44.661 44.963 -0.302 1
1 905 . 14 1 1 A 76 76 GLY N N 76 110.555 107.693 2.862 1
1 906 . 14 1 1 A 77 77 PRO HA H 77 4.450 4.419 0.031 1
1 913 . 14 1 1 A 77 77 PRO C C 77 177.458 176.304 1.154 1
1 914 . 14 1 1 A 77 77 PRO CA C 77 63.249 64.623 -1.374 1
1 915 . 14 1 1 A 77 77 PRO CB C 77 32.180 32.088 0.092 1
1 918 . 14 1 1 A 78 78 SER H H 78 8.525 7.823 0.702 1
1 919 . 14 1 1 A 78 78 SER HA H 78 4.471 4.673 -0.202 1
1 922 . 14 1 1 A 78 78 SER C C 78 174.648 173.431 1.217 1
1 923 . 14 1 1 A 78 78 SER CA C 78 58.460 56.530 1.930 1
1 924 . 14 1 1 A 78 78 SER CB C 78 63.885 65.684 -1.799 1
1 925 . 14 1 1 A 78 78 SER N N 78 116.381 113.231 3.150 1
1 926 . 14 1 1 A 79 79 SER H H 79 8.309 8.745 -0.436 1
1 927 . 14 1 1 A 79 79 SER HA H 79 4.457 4.394 0.063 1
1 930 . 14 1 1 A 79 79 SER C C 79 173.925 174.657 -0.732 1
1 931 . 14 1 1 A 79 79 SER CA C 79 58.401 58.955 -0.554 1
1 932 . 14 1 1 A 79 79 SER CB C 79 64.132 63.374 0.758 1
1 933 . 14 1 1 A 79 79 SER N N 79 117.741 118.042 -0.301 1
1 1 . 15 1 1 A 8 8 GLY HA2 H 8 4.031 4.315 -0.284 1
1 2 . 15 1 1 A 8 8 GLY HA3 H 8 4.031 4.316 -0.285 1
1 3 . 15 1 1 A 8 8 GLY C C 8 174.729 172.255 2.474 1
1 4 . 15 1 1 A 8 8 GLY CA C 8 45.278 44.101 1.177 1
1 5 . 15 1 1 A 9 9 THR H H 9 8.248 8.584 -0.336 1
1 6 . 15 1 1 A 9 9 THR HA H 9 4.376 4.440 -0.064 1
1 11 . 15 1 1 A 9 9 THR C C 9 175.485 174.292 1.193 1
1 12 . 15 1 1 A 9 9 THR CA C 9 61.837 62.232 -0.395 1
1 13 . 15 1 1 A 9 9 THR CB C 9 69.737 69.287 0.450 1
1 15 . 15 1 1 A 9 9 THR N N 9 112.908 117.441 -4.533 1
1 16 . 15 1 1 A 10 10 GLY H H 10 8.581 8.351 0.230 1
1 17 . 15 1 1 A 10 10 GLY HA2 H 10 3.985 4.075 -0.090 1
1 18 . 15 1 1 A 10 10 GLY HA3 H 10 3.985 4.075 -0.090 1
1 19 . 15 1 1 A 10 10 GLY C C 10 174.705 174.372 0.333 1
1 20 . 15 1 1 A 10 10 GLY CA C 10 45.455 44.632 0.823 1
1 21 . 15 1 1 A 10 10 GLY N N 10 111.487 115.061 -3.574 1
1 22 . 15 1 1 A 11 11 GLY H H 11 8.286 8.019 0.267 1
1 23 . 15 1 1 A 11 11 GLY HA2 H 11 3.958 4.039 -0.081 1
1 24 . 15 1 1 A 11 11 GLY HA3 H 11 3.958 4.039 -0.081 1
1 25 . 15 1 1 A 11 11 GLY C C 11 174.071 173.592 0.479 1
1 26 . 15 1 1 A 11 11 GLY CA C 11 45.101 46.032 -0.931 1
1 27 . 15 1 1 A 11 11 GLY N N 11 108.887 110.674 -1.787 1
1 28 . 15 1 1 A 12 12 GLU H H 12 8.333 8.034 0.299 1
1 29 . 15 1 1 A 12 12 GLU HA H 12 4.271 4.727 -0.456 1
1 34 . 15 1 1 A 12 12 GLU C C 12 176.435 174.664 1.771 1
1 35 . 15 1 1 A 12 12 GLU CA C 12 56.278 55.612 0.666 1
1 36 . 15 1 1 A 12 12 GLU CB C 12 30.358 30.532 -0.174 1
1 38 . 15 1 1 A 12 12 GLU N N 12 120.407 120.131 0.276 1
1 39 . 15 1 1 A 13 13 GLU H H 13 8.546 8.846 -0.300 1
1 40 . 15 1 1 A 13 13 GLU HA H 13 4.521 4.852 -0.331 1
1 45 . 15 1 1 A 13 13 GLU C C 13 174.648 173.151 1.497 1
1 46 . 15 1 1 A 13 13 GLU CA C 13 54.687 54.386 0.301 1
1 47 . 15 1 1 A 13 13 GLU CB C 13 29.688 32.740 -3.052 1
1 49 . 15 1 1 A 13 13 GLU N N 13 123.832 123.166 0.666 1
1 50 . 15 1 1 A 14 14 PRO HA H 14 4.375 4.720 -0.345 1
1 57 . 15 1 1 A 14 14 PRO C C 14 177.117 176.682 0.435 1
1 58 . 15 1 1 A 14 14 PRO CA C 14 63.379 62.905 0.474 1
1 59 . 15 1 1 A 14 14 PRO CB C 14 32.003 31.599 0.404 1
1 62 . 15 1 1 A 15 15 GLN H H 15 8.543 8.204 0.339 1
1 63 . 15 1 1 A 15 15 GLN HA H 15 4.230 4.522 -0.292 1
1 70 . 15 1 1 A 15 15 GLN C C 15 176.459 174.754 1.705 1
1 71 . 15 1 1 A 15 15 GLN CA C 15 56.171 55.614 0.557 1
1 72 . 15 1 1 A 15 15 GLN CB C 15 28.935 29.178 -0.243 1
1 74 . 15 1 1 A 15 15 GLN N N 15 120.153 118.933 1.220 1
1 76 . 15 1 1 A 16 16 ARG H H 16 8.337 8.773 -0.436 1
1 77 . 15 1 1 A 16 16 ARG HA H 16 4.219 4.631 -0.412 1
1 84 . 15 1 1 A 16 16 ARG C C 16 176.216 174.992 1.224 1
1 85 . 15 1 1 A 16 16 ARG CA C 16 56.809 55.541 1.268 1
1 86 . 15 1 1 A 16 16 ARG CB C 16 30.666 32.691 -2.025 1
1 89 . 15 1 1 A 16 16 ARG N N 16 122.090 125.503 -3.413 1
1 90 . 15 1 1 A 17 17 ASP H H 17 8.313 8.963 -0.650 1
1 91 . 15 1 1 A 17 17 ASP HA H 17 4.523 4.228 0.295 1
1 94 . 15 1 1 A 17 17 ASP C C 17 176.727 175.527 1.200 1
1 95 . 15 1 1 A 17 17 ASP CA C 17 54.591 55.257 -0.666 1
1 96 . 15 1 1 A 17 17 ASP CB C 17 41.097 39.070 2.027 1
1 97 . 15 1 1 A 17 17 ASP N N 17 120.664 125.386 -4.722 1
1 98 . 15 1 1 A 18 18 LYS H H 18 8.276 7.873 0.403 1
1 99 . 15 1 1 A 18 18 LYS HA H 18 4.175 4.376 -0.201 1
1 108 . 15 1 1 A 18 18 LYS C C 18 176.971 178.624 -1.653 1
1 109 . 15 1 1 A 18 18 LYS CA C 18 56.971 58.041 -1.070 1
1 110 . 15 1 1 A 18 18 LYS CB C 18 32.562 33.569 -1.007 1
1 114 . 15 1 1 A 18 18 LYS N N 18 122.504 118.270 4.234 1
1 115 . 15 1 1 A 19 19 ARG H H 19 8.240 8.023 0.217 1
1 116 . 15 1 1 A 19 19 ARG HA H 19 4.205 4.165 0.040 1
1 123 . 15 1 1 A 19 19 ARG C C 19 176.532 176.936 -0.404 1
1 124 . 15 1 1 A 19 19 ARG CA C 19 56.632 58.590 -1.958 1
1 125 . 15 1 1 A 19 19 ARG CB C 19 30.647 29.563 1.084 1
1 128 . 15 1 1 A 19 19 ARG N N 19 120.296 118.277 2.019 1
1 129 . 15 1 1 A 20 20 LEU H H 20 8.068 7.407 0.661 1
1 130 . 15 1 1 A 20 20 LEU HA H 20 4.262 4.252 0.010 1
1 140 . 15 1 1 A 20 20 LEU C C 20 177.288 176.128 1.160 1
1 141 . 15 1 1 A 20 20 LEU CA C 20 55.110 55.167 -0.057 1
1 142 . 15 1 1 A 20 20 LEU CB C 20 42.081 42.143 -0.062 1
1 146 . 15 1 1 A 20 20 LEU N N 20 121.867 122.361 -0.494 1
1 147 . 15 1 1 A 21 21 ARG H H 21 8.226 8.312 -0.086 1
1 148 . 15 1 1 A 21 21 ARG HA H 21 4.413 4.909 -0.496 1
1 155 . 15 1 1 A 21 21 ARG C C 21 176.313 176.920 -0.607 1
1 156 . 15 1 1 A 21 21 ARG CA C 21 56.194 54.041 2.153 1
1 157 . 15 1 1 A 21 21 ARG CB C 21 30.996 33.726 -2.730 1
1 160 . 15 1 1 A 21 21 ARG N N 21 121.612 121.372 0.240 1
1 161 . 15 1 1 A 22 22 THR H H 22 8.215 8.762 -0.547 1
1 162 . 15 1 1 A 22 22 THR HA H 22 4.405 3.980 0.425 1
1 167 . 15 1 1 A 22 22 THR C C 22 174.169 175.206 -1.037 1
1 168 . 15 1 1 A 22 22 THR CA C 22 61.963 66.000 -4.037 1
1 169 . 15 1 1 A 22 22 THR CB C 22 69.779 68.552 1.227 1
1 171 . 15 1 1 A 22 22 THR N N 22 114.661 117.275 -2.614 1
1 172 . 15 1 1 A 23 23 THR H H 23 8.087 7.546 0.541 1
1 173 . 15 1 1 A 23 23 THR HA H 23 4.308 4.417 -0.109 1
1 178 . 15 1 1 A 23 23 THR C C 23 173.413 173.610 -0.197 1
1 179 . 15 1 1 A 23 23 THR CA C 23 62.158 61.485 0.673 1
1 180 . 15 1 1 A 23 23 THR CB C 23 69.916 70.807 -0.891 1
1 182 . 15 1 1 A 23 23 THR N N 23 118.008 113.681 4.327 1
1 183 . 15 1 1 A 24 24 ILE H H 24 8.110 8.341 -0.231 1
1 184 . 15 1 1 A 24 24 ILE HA H 24 4.200 5.028 -0.828 1
1 194 . 15 1 1 A 24 24 ILE C C 24 176.654 175.746 0.908 1
1 195 . 15 1 1 A 24 24 ILE CA C 24 61.690 59.864 1.826 1
1 196 . 15 1 1 A 24 24 ILE CB C 24 39.487 41.492 -2.005 1
1 200 . 15 1 1 A 24 24 ILE N N 24 124.852 120.469 4.383 1
1 201 . 15 1 1 A 25 25 THR H H 25 9.023 8.407 0.616 1
1 202 . 15 1 1 A 25 25 THR HA H 25 4.564 4.968 -0.404 1
1 207 . 15 1 1 A 25 25 THR C C 25 173.433 174.231 -0.798 1
1 208 . 15 1 1 A 25 25 THR CA C 25 60.759 58.449 2.310 1
1 209 . 15 1 1 A 25 25 THR CB C 25 68.089 69.851 -1.762 1
1 211 . 15 1 1 A 25 25 THR N N 25 120.568 115.408 5.160 1
1 212 . 15 1 1 A 26 26 PRO HA H 26 4.172 4.568 -0.396 1
1 219 . 15 1 1 A 26 26 PRO C C 26 179.237 177.374 1.863 1
1 220 . 15 1 1 A 26 26 PRO CA C 26 65.917 64.468 1.449 1
1 221 . 15 1 1 A 26 26 PRO CB C 26 31.725 31.735 -0.010 1
1 224 . 15 1 1 A 27 27 GLU H H 27 8.722 8.477 0.245 1
1 225 . 15 1 1 A 27 27 GLU HA H 27 4.006 4.251 -0.245 1
1 230 . 15 1 1 A 27 27 GLU C C 27 179.749 178.281 1.468 1
1 231 . 15 1 1 A 27 27 GLU CA C 27 60.353 57.671 2.682 1
1 232 . 15 1 1 A 27 27 GLU CB C 27 28.851 29.982 -1.131 1
1 234 . 15 1 1 A 27 27 GLU N N 27 117.087 117.514 -0.427 1
1 235 . 15 1 1 A 28 28 GLN H H 28 7.666 7.933 -0.267 1
1 236 . 15 1 1 A 28 28 GLN HA H 28 3.767 4.095 -0.328 1
1 243 . 15 1 1 A 28 28 GLN C C 28 177.872 178.167 -0.295 1
1 244 . 15 1 1 A 28 28 GLN CA C 28 58.821 58.246 0.575 1
1 245 . 15 1 1 A 28 28 GLN CB C 28 29.401 28.638 0.763 1
1 247 . 15 1 1 A 28 28 GLN N N 28 119.298 119.149 0.149 1
1 249 . 15 1 1 A 29 29 LEU H H 29 8.453 7.949 0.504 1
1 250 . 15 1 1 A 29 29 LEU HA H 29 3.484 3.556 -0.072 1
1 260 . 15 1 1 A 29 29 LEU C C 29 178.092 178.705 -0.613 1
1 261 . 15 1 1 A 29 29 LEU CA C 29 57.737 57.614 0.123 1
1 262 . 15 1 1 A 29 29 LEU CB C 29 41.578 41.597 -0.019 1
1 266 . 15 1 1 A 29 29 LEU N N 29 120.145 120.584 -0.439 1
1 267 . 15 1 1 A 30 30 GLU H H 30 7.607 8.313 -0.706 1
1 268 . 15 1 1 A 30 30 GLU HA H 30 4.069 4.112 -0.043 1
1 273 . 15 1 1 A 30 30 GLU C C 30 179.140 179.391 -0.251 1
1 274 . 15 1 1 A 30 30 GLU CA C 30 59.334 59.674 -0.340 1
1 275 . 15 1 1 A 30 30 GLU CB C 30 29.512 29.330 0.182 1
1 277 . 15 1 1 A 30 30 GLU N N 30 116.903 116.559 0.344 1
1 278 . 15 1 1 A 31 31 ILE H H 31 7.070 8.043 -0.973 1
1 279 . 15 1 1 A 31 31 ILE HA H 31 3.692 3.678 0.014 1
1 289 . 15 1 1 A 31 31 ILE C C 31 178.287 178.598 -0.311 1
1 290 . 15 1 1 A 31 31 ILE CA C 31 64.416 65.709 -1.293 1
1 291 . 15 1 1 A 31 31 ILE CB C 31 37.777 37.932 -0.155 1
1 295 . 15 1 1 A 31 31 ILE N N 31 118.947 120.892 -1.945 1
1 296 . 15 1 1 A 32 32 LEU H H 32 8.126 8.133 -0.007 1
1 297 . 15 1 1 A 32 32 LEU HA H 32 3.418 3.831 -0.413 1
1 307 . 15 1 1 A 32 32 LEU C C 32 178.311 178.923 -0.612 1
1 308 . 15 1 1 A 32 32 LEU CA C 32 58.497 57.878 0.619 1
1 309 . 15 1 1 A 32 32 LEU CB C 32 38.146 41.170 -3.024 1
1 313 . 15 1 1 A 32 32 LEU N N 32 120.437 119.092 1.345 1
1 314 . 15 1 1 A 33 33 TYR H H 33 8.312 8.465 -0.153 1
1 315 . 15 1 1 A 33 33 TYR HA H 33 4.358 4.614 -0.256 1
1 322 . 15 1 1 A 33 33 TYR C C 33 178.214 178.561 -0.347 1
1 323 . 15 1 1 A 33 33 TYR CA C 33 62.645 61.015 1.630 1
1 324 . 15 1 1 A 33 33 TYR CB C 33 37.807 37.964 -0.157 1
1 329 . 15 1 1 A 33 33 TYR N N 33 117.248 118.190 -0.942 1
1 330 . 15 1 1 A 34 34 GLN H H 34 7.750 8.569 -0.819 1
1 331 . 15 1 1 A 34 34 GLN HA H 34 3.967 3.947 0.020 1
1 338 . 15 1 1 A 34 34 GLN C C 34 180.065 178.538 1.527 1
1 339 . 15 1 1 A 34 34 GLN CA C 34 59.143 59.368 -0.225 1
1 340 . 15 1 1 A 34 34 GLN CB C 34 27.781 28.540 -0.759 1
1 342 . 15 1 1 A 34 34 GLN N N 34 117.509 118.214 -0.705 1
1 344 . 15 1 1 A 35 35 LYS H H 35 8.381 7.873 0.508 1
1 345 . 15 1 1 A 35 35 LYS HA H 35 4.132 4.329 -0.197 1
1 354 . 15 1 1 A 35 35 LYS C C 35 179.456 178.896 0.560 1
1 355 . 15 1 1 A 35 35 LYS CA C 35 57.839 58.312 -0.473 1
1 356 . 15 1 1 A 35 35 LYS CB C 35 31.487 32.379 -0.892 1
1 360 . 15 1 1 A 35 35 LYS N N 35 117.671 120.380 -2.709 1
1 361 . 15 1 1 A 36 36 TYR H H 36 9.036 8.501 0.535 1
1 362 . 15 1 1 A 36 36 TYR HA H 36 4.164 4.799 -0.635 1
1 369 . 15 1 1 A 36 36 TYR C C 36 176.630 177.587 -0.957 1
1 370 . 15 1 1 A 36 36 TYR CA C 36 61.726 61.474 0.252 1
1 371 . 15 1 1 A 36 36 TYR CB C 36 38.579 38.450 0.129 1
1 376 . 15 1 1 A 36 36 TYR N N 36 124.434 123.057 1.377 1
1 377 . 15 1 1 A 37 37 LEU H H 37 7.848 9.106 -1.258 1
1 378 . 15 1 1 A 37 37 LEU HA H 37 3.918 3.939 -0.021 1
1 388 . 15 1 1 A 37 37 LEU C C 37 179.334 179.313 0.021 1
1 389 . 15 1 1 A 37 37 LEU CA C 37 56.827 58.172 -1.345 1
1 390 . 15 1 1 A 37 37 LEU CB C 37 42.069 41.846 0.223 1
1 394 . 15 1 1 A 37 37 LEU N N 37 116.192 120.244 -4.052 1
1 395 . 15 1 1 A 38 38 LEU H H 38 7.230 7.727 -0.497 1
1 396 . 15 1 1 A 38 38 LEU HA H 38 4.150 4.296 -0.146 1
1 406 . 15 1 1 A 38 38 LEU C C 38 178.116 176.181 1.935 1
1 407 . 15 1 1 A 38 38 LEU CA C 38 56.915 56.682 0.233 1
1 408 . 15 1 1 A 38 38 LEU CB C 38 42.336 42.596 -0.260 1
1 412 . 15 1 1 A 38 38 LEU N N 38 118.422 113.216 5.206 1
1 413 . 15 1 1 A 39 39 ASP H H 39 7.543 7.991 -0.448 1
1 414 . 15 1 1 A 39 39 ASP HA H 39 4.364 4.930 -0.566 1
1 417 . 15 1 1 A 39 39 ASP C C 39 174.778 175.863 -1.085 1
1 418 . 15 1 1 A 39 39 ASP CA C 39 54.731 52.996 1.735 1
1 419 . 15 1 1 A 39 39 ASP CB C 39 41.134 41.939 -0.805 1
1 420 . 15 1 1 A 39 39 ASP N N 39 117.417 119.970 -2.553 1
1 421 . 15 1 1 A 40 40 SER H H 40 8.240 8.747 -0.507 1
1 422 . 15 1 1 A 40 40 SER HA H 40 3.984 4.475 -0.491 1
1 425 . 15 1 1 A 40 40 SER C C 40 174.169 174.299 -0.130 1
1 426 . 15 1 1 A 40 40 SER CA C 40 58.825 58.572 0.253 1
1 427 . 15 1 1 A 40 40 SER CB C 40 63.964 63.623 0.341 1
1 428 . 15 1 1 A 40 40 SER N N 40 119.077 121.162 -2.085 1
1 429 . 15 1 1 A 41 41 ASN H H 41 8.711 8.083 0.628 1
1 430 . 15 1 1 A 41 41 ASN HA H 41 5.007 5.238 -0.231 1
1 435 . 15 1 1 A 41 41 ASN C C 41 171.078 172.379 -1.301 1
1 436 . 15 1 1 A 41 41 ASN CA C 41 51.291 50.854 0.437 1
1 437 . 15 1 1 A 41 41 ASN CB C 41 39.815 39.469 0.346 1
1 438 . 15 1 1 A 41 41 ASN N N 41 119.546 119.353 0.193 1
1 440 . 15 1 1 A 42 42 PRO HA H 42 4.408 4.676 -0.268 1
1 447 . 15 1 1 A 42 42 PRO C C 42 177.028 176.073 0.955 1
1 448 . 15 1 1 A 42 42 PRO CA C 42 62.678 62.531 0.147 1
1 449 . 15 1 1 A 42 42 PRO CB C 42 31.869 32.469 -0.600 1
1 452 . 15 1 1 A 43 43 THR H H 43 7.797 8.399 -0.602 1
1 453 . 15 1 1 A 43 43 THR HA H 43 4.205 4.572 -0.367 1
1 458 . 15 1 1 A 43 43 THR C C 43 174.729 175.478 -0.749 1
1 459 . 15 1 1 A 43 43 THR CA C 43 60.690 60.512 0.178 1
1 460 . 15 1 1 A 43 43 THR CB C 43 71.138 70.488 0.650 1
1 462 . 15 1 1 A 43 43 THR N N 43 111.399 116.662 -5.263 1
1 463 . 15 1 1 A 44 44 ARG H H 44 8.718 8.928 -0.210 1
1 464 . 15 1 1 A 44 44 ARG HA H 44 3.863 3.914 -0.051 1
1 471 . 15 1 1 A 44 44 ARG C C 44 178.384 178.706 -0.322 1
1 472 . 15 1 1 A 44 44 ARG CA C 44 60.014 60.118 -0.104 1
1 473 . 15 1 1 A 44 44 ARG CB C 44 29.512 29.854 -0.342 1
1 476 . 15 1 1 A 44 44 ARG N N 44 120.640 127.393 -6.753 1
1 477 . 15 1 1 A 45 45 LYS H H 45 8.142 7.855 0.287 1
1 478 . 15 1 1 A 45 45 LYS HA H 45 4.070 4.022 0.048 1
1 487 . 15 1 1 A 45 45 LYS C C 45 179.334 178.622 0.712 1
1 488 . 15 1 1 A 45 45 LYS CA C 45 59.170 59.358 -0.188 1
1 489 . 15 1 1 A 45 45 LYS CB C 45 32.457 32.267 0.190 1
1 493 . 15 1 1 A 45 45 LYS N N 45 117.851 119.910 -2.059 1
1 494 . 15 1 1 A 46 46 MET H H 46 7.560 8.106 -0.546 1
1 495 . 15 1 1 A 46 46 MET HA H 46 4.329 4.135 0.194 1
1 503 . 15 1 1 A 46 46 MET C C 46 178.774 178.733 0.041 1
1 504 . 15 1 1 A 46 46 MET CA C 46 57.799 58.578 -0.779 1
1 505 . 15 1 1 A 46 46 MET CB C 46 32.210 32.882 -0.672 1
1 508 . 15 1 1 A 46 46 MET N N 46 119.433 118.405 1.028 1
1 509 . 15 1 1 A 47 47 LEU H H 47 8.624 8.113 0.511 1
1 510 . 15 1 1 A 47 47 LEU HA H 47 3.758 3.789 -0.031 1
1 520 . 15 1 1 A 47 47 LEU C C 47 178.701 179.183 -0.482 1
1 521 . 15 1 1 A 47 47 LEU CA C 47 58.648 57.700 0.948 1
1 522 . 15 1 1 A 47 47 LEU CB C 47 42.248 41.508 0.740 1
1 526 . 15 1 1 A 47 47 LEU N N 47 120.980 119.624 1.356 1
1 527 . 15 1 1 A 48 48 ASP H H 48 7.891 7.997 -0.106 1
1 528 . 15 1 1 A 48 48 ASP HA H 48 4.275 4.373 -0.098 1
1 531 . 15 1 1 A 48 48 ASP C C 48 178.798 178.465 0.333 1
1 532 . 15 1 1 A 48 48 ASP CA C 48 57.662 57.342 0.320 1
1 533 . 15 1 1 A 48 48 ASP CB C 48 40.347 41.145 -0.798 1
1 534 . 15 1 1 A 48 48 ASP N N 48 119.025 119.798 -0.773 1
1 535 . 15 1 1 A 49 49 HIS H H 49 7.760 7.875 -0.115 1
1 536 . 15 1 1 A 49 49 HIS HA H 49 4.390 4.260 0.130 1
1 540 . 15 1 1 A 49 49 HIS C C 49 178.287 177.096 1.191 1
1 541 . 15 1 1 A 49 49 HIS CA C 49 59.930 60.036 -0.106 1
1 542 . 15 1 1 A 49 49 HIS CB C 49 30.348 30.139 0.209 1
1 544 . 15 1 1 A 49 49 HIS N N 49 120.629 119.059 1.570 1
1 545 . 15 1 1 A 50 50 ILE H H 50 8.934 8.254 0.680 1
1 546 . 15 1 1 A 50 50 ILE HA H 50 3.619 3.591 0.028 1
1 556 . 15 1 1 A 50 50 ILE C C 50 177.410 178.389 -0.979 1
1 557 . 15 1 1 A 50 50 ILE CA C 50 65.779 65.633 0.146 1
1 558 . 15 1 1 A 50 50 ILE CB C 50 38.622 37.727 0.895 1
1 562 . 15 1 1 A 50 50 ILE N N 50 120.913 120.112 0.801 1
1 563 . 15 1 1 A 51 51 ALA H H 51 8.423 7.862 0.561 1
1 564 . 15 1 1 A 51 51 ALA HA H 51 3.859 4.142 -0.283 1
1 568 . 15 1 1 A 51 51 ALA C C 51 179.213 179.830 -0.617 1
1 569 . 15 1 1 A 51 51 ALA CA C 51 56.348 54.539 1.809 1
1 570 . 15 1 1 A 51 51 ALA CB C 51 17.292 18.237 -0.945 1
1 571 . 15 1 1 A 51 51 ALA N N 51 120.695 120.768 -0.073 1
1 572 . 15 1 1 A 52 52 HIS H H 52 7.735 8.220 -0.485 1
1 573 . 15 1 1 A 52 52 HIS HA H 52 4.273 4.180 0.093 1
1 577 . 15 1 1 A 52 52 HIS C C 52 177.799 177.127 0.672 1
1 578 . 15 1 1 A 52 52 HIS CA C 52 59.406 58.840 0.566 1
1 579 . 15 1 1 A 52 52 HIS CB C 52 29.842 29.943 -0.101 1
1 581 . 15 1 1 A 52 52 HIS N N 52 115.822 118.379 -2.557 1
1 582 . 15 1 1 A 53 53 GLU H H 53 8.299 8.440 -0.141 1
1 583 . 15 1 1 A 53 53 GLU HA H 53 3.842 3.990 -0.148 1
1 588 . 15 1 1 A 53 53 GLU C C 53 178.652 178.278 0.374 1
1 589 . 15 1 1 A 53 53 GLU CA C 53 59.434 59.286 0.148 1
1 590 . 15 1 1 A 53 53 GLU CB C 53 30.204 29.109 1.095 1
1 592 . 15 1 1 A 53 53 GLU N N 53 120.073 117.661 2.412 1
1 593 . 15 1 1 A 54 54 VAL H H 54 8.446 7.851 0.595 1
1 594 . 15 1 1 A 54 54 VAL HA H 54 4.150 3.969 0.181 1
1 602 . 15 1 1 A 54 54 VAL C C 54 175.899 176.877 -0.978 1
1 603 . 15 1 1 A 54 54 VAL CA C 54 62.001 64.514 -2.513 1
1 604 . 15 1 1 A 54 54 VAL CB C 54 33.000 31.680 1.320 1
1 607 . 15 1 1 A 54 54 VAL N N 54 112.194 118.730 -6.536 1
1 608 . 15 1 1 A 55 55 GLY H H 55 7.879 8.470 -0.591 1
1 609 . 15 1 1 A 55 55 GLY HA2 H 55 3.975 3.869 0.106 1
1 610 . 15 1 1 A 55 55 GLY HA3 H 55 3.814 3.903 -0.089 1
1 611 . 15 1 1 A 55 55 GLY C C 55 174.461 174.068 0.393 1
1 612 . 15 1 1 A 55 55 GLY CA C 55 46.551 46.374 0.177 1
1 613 . 15 1 1 A 55 55 GLY N N 55 111.306 109.774 1.532 1
1 614 . 15 1 1 A 56 56 LEU H H 56 7.766 7.316 0.450 1
1 615 . 15 1 1 A 56 56 LEU HA H 56 4.825 4.800 0.025 1
1 625 . 15 1 1 A 56 56 LEU C C 56 175.704 175.578 0.126 1
1 626 . 15 1 1 A 56 56 LEU CA C 56 52.223 53.279 -1.056 1
1 627 . 15 1 1 A 56 56 LEU CB C 56 47.913 45.842 2.071 1
1 631 . 15 1 1 A 56 56 LEU N N 56 119.685 121.147 -1.462 1
1 632 . 15 1 1 A 57 57 LYS H H 57 8.268 8.406 -0.138 1
1 633 . 15 1 1 A 57 57 LYS HA H 57 4.212 4.177 0.035 1
1 642 . 15 1 1 A 57 57 LYS C C 57 178.555 177.629 0.926 1
1 643 . 15 1 1 A 57 57 LYS CA C 57 56.375 57.289 -0.914 1
1 644 . 15 1 1 A 57 57 LYS CB C 57 32.750 32.426 0.324 1
1 648 . 15 1 1 A 57 57 LYS N N 57 118.380 124.621 -6.241 1
1 649 . 15 1 1 A 58 58 LYS H H 58 8.853 9.011 -0.158 1
1 650 . 15 1 1 A 58 58 LYS HA H 58 3.670 3.786 -0.116 1
1 659 . 15 1 1 A 58 58 LYS C C 58 178.652 178.252 0.400 1
1 660 . 15 1 1 A 58 58 LYS CA C 58 61.026 60.580 0.446 1
1 661 . 15 1 1 A 58 58 LYS CB C 58 31.655 32.267 -0.612 1
1 665 . 15 1 1 A 58 58 LYS N N 58 123.883 125.887 -2.004 1
1 666 . 15 1 1 A 59 59 ARG H H 59 8.834 7.724 1.110 1
1 667 . 15 1 1 A 59 59 ARG HA H 59 4.120 4.120 0.000 1
1 674 . 15 1 1 A 59 59 ARG C C 59 177.872 178.859 -0.987 1
1 675 . 15 1 1 A 59 59 ARG CA C 59 58.851 58.684 0.167 1
1 676 . 15 1 1 A 59 59 ARG CB C 59 29.832 29.794 0.038 1
1 679 . 15 1 1 A 59 59 ARG N N 59 117.315 119.303 -1.988 1
1 680 . 15 1 1 A 60 60 VAL H H 60 6.892 8.138 -1.246 1
1 681 . 15 1 1 A 60 60 VAL HA H 60 3.677 3.761 -0.084 1
1 689 . 15 1 1 A 60 60 VAL C C 60 178.701 178.563 0.138 1
1 690 . 15 1 1 A 60 60 VAL CA C 60 65.741 66.193 -0.452 1
1 691 . 15 1 1 A 60 60 VAL CB C 60 31.520 31.649 -0.129 1
1 694 . 15 1 1 A 60 60 VAL N N 60 117.560 119.782 -2.222 1
1 695 . 15 1 1 A 61 61 VAL H H 61 7.394 8.172 -0.778 1
1 696 . 15 1 1 A 61 61 VAL HA H 61 3.647 3.711 -0.064 1
1 704 . 15 1 1 A 61 61 VAL C C 61 177.385 178.410 -1.025 1
1 705 . 15 1 1 A 61 61 VAL CA C 61 67.232 66.733 0.499 1
1 706 . 15 1 1 A 61 61 VAL CB C 61 32.125 31.528 0.597 1
1 709 . 15 1 1 A 61 61 VAL N N 61 119.625 120.909 -1.284 1
1 710 . 15 1 1 A 62 62 GLN H H 62 8.681 8.369 0.312 1
1 711 . 15 1 1 A 62 62 GLN HA H 62 4.047 3.941 0.106 1
1 718 . 15 1 1 A 62 62 GLN C C 62 178.798 178.437 0.361 1
1 719 . 15 1 1 A 62 62 GLN CA C 62 60.169 58.886 1.283 1
1 720 . 15 1 1 A 62 62 GLN CB C 62 28.935 28.192 0.743 1
1 722 . 15 1 1 A 62 62 GLN N N 62 119.803 120.214 -0.411 1
1 724 . 15 1 1 A 63 63 VAL H H 63 8.279 8.042 0.237 1
1 725 . 15 1 1 A 63 63 VAL HA H 63 3.703 3.822 -0.119 1
1 733 . 15 1 1 A 63 63 VAL C C 63 177.263 178.037 -0.774 1
1 734 . 15 1 1 A 63 63 VAL CA C 63 66.384 65.981 0.403 1
1 735 . 15 1 1 A 63 63 VAL CB C 63 31.983 31.852 0.131 1
1 738 . 15 1 1 A 63 63 VAL N N 63 120.104 119.234 0.870 1
1 739 . 15 1 1 A 64 64 TRP H H 64 8.376 8.513 -0.137 1
1 740 . 15 1 1 A 64 64 TRP HA H 64 4.015 4.186 -0.171 1
1 749 . 15 1 1 A 64 64 TRP C C 64 180.309 177.991 2.318 1
1 750 . 15 1 1 A 64 64 TRP CA C 64 63.421 60.508 2.913 1
1 751 . 15 1 1 A 64 64 TRP CB C 64 28.382 29.945 -1.563 1
1 757 . 15 1 1 A 64 64 TRP N N 64 122.121 121.789 0.332 1
1 759 . 15 1 1 A 65 65 PHE H H 65 9.032 8.089 0.943 1
1 760 . 15 1 1 A 65 65 PHE HA H 65 3.662 4.350 -0.688 1
1 768 . 15 1 1 A 65 65 PHE C C 65 178.214 178.725 -0.511 1
1 769 . 15 1 1 A 65 65 PHE CA C 65 63.919 61.132 2.787 1
1 770 . 15 1 1 A 65 65 PHE CB C 65 39.512 39.659 -0.147 1
1 776 . 15 1 1 A 65 65 PHE N N 65 120.975 116.559 4.416 1
1 777 . 15 1 1 A 66 66 GLN H H 66 8.021 7.886 0.135 1
1 778 . 15 1 1 A 66 66 GLN HA H 66 3.957 4.087 -0.130 1
1 785 . 15 1 1 A 66 66 GLN C C 66 179.066 177.877 1.189 1
1 786 . 15 1 1 A 66 66 GLN CA C 66 59.426 58.731 0.695 1
1 787 . 15 1 1 A 66 66 GLN CB C 66 28.536 28.187 0.349 1
1 789 . 15 1 1 A 66 66 GLN N N 66 117.887 116.998 0.889 1
1 791 . 15 1 1 A 67 67 ASN H H 67 8.807 8.033 0.774 1
1 792 . 15 1 1 A 67 67 ASN HA H 67 4.331 4.523 -0.192 1
1 797 . 15 1 1 A 67 67 ASN C C 67 177.775 177.820 -0.045 1
1 798 . 15 1 1 A 67 67 ASN CA C 67 55.461 56.045 -0.584 1
1 799 . 15 1 1 A 67 67 ASN CB C 67 37.718 38.298 -0.580 1
1 800 . 15 1 1 A 67 67 ASN N N 67 119.312 118.517 0.795 1
1 802 . 15 1 1 A 68 68 THR H H 68 8.092 7.327 0.765 1
1 803 . 15 1 1 A 68 68 THR HA H 68 3.262 3.565 -0.303 1
1 808 . 15 1 1 A 68 68 THR C C 68 175.972 176.451 -0.479 1
1 809 . 15 1 1 A 68 68 THR CA C 68 66.903 66.512 0.391 1
1 810 . 15 1 1 A 68 68 THR CB C 68 67.800 67.469 0.331 1
1 812 . 15 1 1 A 68 68 THR N N 68 120.500 117.180 3.320 1
1 813 . 15 1 1 A 69 69 ARG H H 69 8.154 7.795 0.359 1
1 814 . 15 1 1 A 69 69 ARG HA H 69 4.362 4.280 0.082 1
1 821 . 15 1 1 A 69 69 ARG C C 69 179.432 179.132 0.300 1
1 822 . 15 1 1 A 69 69 ARG CA C 69 59.805 59.741 0.064 1
1 823 . 15 1 1 A 69 69 ARG CB C 69 31.490 29.898 1.592 1
1 826 . 15 1 1 A 69 69 ARG N N 69 121.451 120.484 0.967 1
1 827 . 15 1 1 A 70 70 ALA H H 70 7.686 7.500 0.186 1
1 828 . 15 1 1 A 70 70 ALA HA H 70 4.107 4.029 0.078 1
1 832 . 15 1 1 A 70 70 ALA C C 70 179.724 179.561 0.163 1
1 833 . 15 1 1 A 70 70 ALA CA C 70 54.512 54.762 -0.250 1
1 834 . 15 1 1 A 70 70 ALA CB C 70 18.187 18.235 -0.048 1
1 835 . 15 1 1 A 70 70 ALA N N 70 119.887 121.755 -1.868 1
1 836 . 15 1 1 A 71 71 ARG H H 71 7.588 7.641 -0.053 1
1 837 . 15 1 1 A 71 71 ARG HA H 71 4.073 4.146 -0.073 1
1 844 . 15 1 1 A 71 71 ARG C C 71 177.775 177.782 -0.007 1
1 845 . 15 1 1 A 71 71 ARG CA C 71 57.849 58.556 -0.707 1
1 846 . 15 1 1 A 71 71 ARG CB C 71 30.419 30.483 -0.064 1
1 849 . 15 1 1 A 71 71 ARG N N 71 117.554 116.544 1.010 1
1 850 . 15 1 1 A 72 72 GLU H H 72 7.776 8.588 -0.812 1
1 851 . 15 1 1 A 72 72 GLU HA H 72 4.129 4.145 -0.016 1
1 856 . 15 1 1 A 72 72 GLU C C 72 177.190 178.726 -1.536 1
1 857 . 15 1 1 A 72 72 GLU CA C 72 57.625 58.958 -1.333 1
1 858 . 15 1 1 A 72 72 GLU CB C 72 29.815 29.023 0.792 1
1 860 . 15 1 1 A 72 72 GLU N N 72 119.019 118.838 0.181 1
1 861 . 15 1 1 A 73 73 ARG H H 73 7.956 7.902 0.054 1
1 862 . 15 1 1 A 73 73 ARG HA H 73 4.228 4.162 0.066 1
1 869 . 15 1 1 A 73 73 ARG C C 73 176.581 176.726 -0.145 1
1 870 . 15 1 1 A 73 73 ARG CA C 73 56.773 58.619 -1.846 1
1 871 . 15 1 1 A 73 73 ARG CB C 73 30.254 29.985 0.269 1
1 874 . 15 1 1 A 73 73 ARG N N 73 119.948 117.184 2.764 1
1 875 . 15 1 1 A 74 74 LYS H H 74 8.155 7.481 0.674 1
1 876 . 15 1 1 A 74 74 LYS HA H 74 4.329 4.273 0.056 1
1 885 . 15 1 1 A 74 74 LYS C C 74 176.703 177.515 -0.812 1
1 886 . 15 1 1 A 74 74 LYS CA C 74 56.458 56.803 -0.345 1
1 887 . 15 1 1 A 74 74 LYS CB C 74 32.825 32.472 0.353 1
1 891 . 15 1 1 A 74 74 LYS N N 74 121.577 121.984 -0.407 1
1 892 . 15 1 1 A 75 75 SER H H 75 8.246 8.576 -0.330 1
1 893 . 15 1 1 A 75 75 SER HA H 75 4.474 4.162 0.312 1
1 896 . 15 1 1 A 75 75 SER C C 75 174.486 175.871 -1.385 1
1 897 . 15 1 1 A 75 75 SER CA C 75 58.365 62.455 -4.090 1
1 898 . 15 1 1 A 75 75 SER CB C 75 63.967 62.745 1.222 1
1 899 . 15 1 1 A 75 75 SER N N 75 116.340 117.709 -1.369 1
1 900 . 15 1 1 A 76 76 GLY H H 76 8.205 8.005 0.200 1
1 901 . 15 1 1 A 76 76 GLY HA2 H 76 4.118 4.015 0.103 1
1 902 . 15 1 1 A 76 76 GLY HA3 H 76 4.118 4.015 0.103 1
1 903 . 15 1 1 A 76 76 GLY C C 76 171.758 174.619 -2.861 1
1 904 . 15 1 1 A 76 76 GLY CA C 76 44.661 44.890 -0.229 1
1 905 . 15 1 1 A 76 76 GLY N N 76 110.555 108.127 2.428 1
1 906 . 15 1 1 A 77 77 PRO HA H 77 4.450 4.492 -0.042 1
1 913 . 15 1 1 A 77 77 PRO C C 77 177.458 176.764 0.694 1
1 914 . 15 1 1 A 77 77 PRO CA C 77 63.249 63.860 -0.611 1
1 915 . 15 1 1 A 77 77 PRO CB C 77 32.180 31.872 0.308 1
1 918 . 15 1 1 A 78 78 SER H H 78 8.525 8.335 0.190 1
1 919 . 15 1 1 A 78 78 SER HA H 78 4.471 4.412 0.059 1
1 922 . 15 1 1 A 78 78 SER C C 78 174.648 174.169 0.479 1
1 923 . 15 1 1 A 78 78 SER CA C 78 58.460 58.020 0.440 1
1 924 . 15 1 1 A 78 78 SER CB C 78 63.885 62.310 1.575 1
1 925 . 15 1 1 A 78 78 SER N N 78 116.381 114.712 1.669 1
1 926 . 15 1 1 A 79 79 SER H H 79 8.309 8.553 -0.244 1
1 927 . 15 1 1 A 79 79 SER HA H 79 4.457 4.197 0.260 1
1 930 . 15 1 1 A 79 79 SER C C 79 173.925 175.279 -1.354 1
1 931 . 15 1 1 A 79 79 SER CA C 79 58.401 60.780 -2.379 1
1 932 . 15 1 1 A 79 79 SER CB C 79 64.132 63.651 0.481 1
1 933 . 15 1 1 A 79 79 SER N N 79 117.741 121.492 -3.751 1
1 1 . 16 1 1 A 8 8 GLY HA2 H 8 4.031 4.376 -0.345 1
1 2 . 16 1 1 A 8 8 GLY HA3 H 8 4.031 4.376 -0.345 1
1 3 . 16 1 1 A 8 8 GLY C C 8 174.729 174.087 0.642 1
1 4 . 16 1 1 A 8 8 GLY CA C 8 45.278 45.374 -0.096 1
1 5 . 16 1 1 A 9 9 THR H H 9 8.248 8.177 0.071 1
1 6 . 16 1 1 A 9 9 THR HA H 9 4.376 4.238 0.138 1
1 11 . 16 1 1 A 9 9 THR C C 9 175.485 175.220 0.265 1
1 12 . 16 1 1 A 9 9 THR CA C 9 61.837 65.664 -3.827 1
1 13 . 16 1 1 A 9 9 THR CB C 9 69.737 69.505 0.232 1
1 15 . 16 1 1 A 9 9 THR N N 9 112.908 112.638 0.270 1
1 16 . 16 1 1 A 10 10 GLY H H 10 8.581 7.964 0.617 1
1 17 . 16 1 1 A 10 10 GLY HA2 H 10 3.985 3.983 0.002 1
1 18 . 16 1 1 A 10 10 GLY HA3 H 10 3.985 3.983 0.002 1
1 19 . 16 1 1 A 10 10 GLY C C 10 174.705 174.815 -0.110 1
1 20 . 16 1 1 A 10 10 GLY CA C 10 45.455 46.694 -1.239 1
1 21 . 16 1 1 A 10 10 GLY N N 10 111.487 108.288 3.199 1
1 22 . 16 1 1 A 11 11 GLY H H 11 8.286 8.364 -0.078 1
1 23 . 16 1 1 A 11 11 GLY HA2 H 11 3.958 4.016 -0.058 1
1 24 . 16 1 1 A 11 11 GLY HA3 H 11 3.958 4.017 -0.059 1
1 25 . 16 1 1 A 11 11 GLY C C 11 174.071 173.786 0.285 1
1 26 . 16 1 1 A 11 11 GLY CA C 11 45.101 46.193 -1.092 1
1 27 . 16 1 1 A 11 11 GLY N N 11 108.887 111.616 -2.729 1
1 28 . 16 1 1 A 12 12 GLU H H 12 8.333 7.968 0.365 1
1 29 . 16 1 1 A 12 12 GLU HA H 12 4.271 4.317 -0.046 1
1 34 . 16 1 1 A 12 12 GLU C C 12 176.435 175.302 1.133 1
1 35 . 16 1 1 A 12 12 GLU CA C 12 56.278 56.560 -0.282 1
1 36 . 16 1 1 A 12 12 GLU CB C 12 30.358 30.974 -0.616 1
1 38 . 16 1 1 A 12 12 GLU N N 12 120.407 122.135 -1.728 1
1 39 . 16 1 1 A 13 13 GLU H H 13 8.546 8.588 -0.042 1
1 40 . 16 1 1 A 13 13 GLU HA H 13 4.521 4.830 -0.309 1
1 45 . 16 1 1 A 13 13 GLU C C 13 174.648 175.126 -0.478 1
1 46 . 16 1 1 A 13 13 GLU CA C 13 54.687 53.180 1.507 1
1 47 . 16 1 1 A 13 13 GLU CB C 13 29.688 33.259 -3.571 1
1 49 . 16 1 1 A 13 13 GLU N N 13 123.832 125.225 -1.393 1
1 50 . 16 1 1 A 14 14 PRO HA H 14 4.375 4.429 -0.054 1
1 57 . 16 1 1 A 14 14 PRO C C 14 177.117 176.644 0.473 1
1 58 . 16 1 1 A 14 14 PRO CA C 14 63.379 62.934 0.445 1
1 59 . 16 1 1 A 14 14 PRO CB C 14 32.003 32.586 -0.583 1
1 62 . 16 1 1 A 15 15 GLN H H 15 8.543 8.716 -0.173 1
1 63 . 16 1 1 A 15 15 GLN HA H 15 4.230 3.750 0.480 1
1 70 . 16 1 1 A 15 15 GLN C C 15 176.459 174.083 2.376 1
1 71 . 16 1 1 A 15 15 GLN CA C 15 56.171 56.679 -0.508 1
1 72 . 16 1 1 A 15 15 GLN CB C 15 28.935 27.191 1.744 1
1 74 . 16 1 1 A 15 15 GLN N N 15 120.153 115.715 4.438 1
1 76 . 16 1 1 A 16 16 ARG H H 16 8.337 7.776 0.561 1
1 77 . 16 1 1 A 16 16 ARG HA H 16 4.219 4.893 -0.674 1
1 84 . 16 1 1 A 16 16 ARG C C 16 176.216 174.187 2.029 1
1 85 . 16 1 1 A 16 16 ARG CA C 16 56.809 54.574 2.235 1
1 86 . 16 1 1 A 16 16 ARG CB C 16 30.666 32.692 -2.026 1
1 89 . 16 1 1 A 16 16 ARG N N 16 122.090 118.273 3.817 1
1 90 . 16 1 1 A 17 17 ASP H H 17 8.313 8.891 -0.578 1
1 91 . 16 1 1 A 17 17 ASP HA H 17 4.523 4.722 -0.199 1
1 94 . 16 1 1 A 17 17 ASP C C 17 176.727 175.833 0.894 1
1 95 . 16 1 1 A 17 17 ASP CA C 17 54.591 54.076 0.515 1
1 96 . 16 1 1 A 17 17 ASP CB C 17 41.097 40.745 0.352 1
1 97 . 16 1 1 A 17 17 ASP N N 17 120.664 127.218 -6.554 1
1 98 . 16 1 1 A 18 18 LYS H H 18 8.276 8.795 -0.519 1
1 99 . 16 1 1 A 18 18 LYS HA H 18 4.175 4.314 -0.139 1
1 108 . 16 1 1 A 18 18 LYS C C 18 176.971 178.715 -1.744 1
1 109 . 16 1 1 A 18 18 LYS CA C 18 56.971 58.227 -1.256 1
1 110 . 16 1 1 A 18 18 LYS CB C 18 32.562 33.320 -0.758 1
1 114 . 16 1 1 A 18 18 LYS N N 18 122.504 126.902 -4.398 1
1 115 . 16 1 1 A 19 19 ARG H H 19 8.240 8.199 0.041 1
1 116 . 16 1 1 A 19 19 ARG HA H 19 4.205 4.140 0.065 1
1 123 . 16 1 1 A 19 19 ARG C C 19 176.532 176.237 0.295 1
1 124 . 16 1 1 A 19 19 ARG CA C 19 56.632 58.683 -2.051 1
1 125 . 16 1 1 A 19 19 ARG CB C 19 30.647 29.534 1.113 1
1 128 . 16 1 1 A 19 19 ARG N N 19 120.296 117.573 2.723 1
1 129 . 16 1 1 A 20 20 LEU H H 20 8.068 7.726 0.342 1
1 130 . 16 1 1 A 20 20 LEU HA H 20 4.262 4.477 -0.215 1
1 140 . 16 1 1 A 20 20 LEU C C 20 177.288 175.484 1.804 1
1 141 . 16 1 1 A 20 20 LEU CA C 20 55.110 54.214 0.896 1
1 142 . 16 1 1 A 20 20 LEU CB C 20 42.081 41.514 0.567 1
1 146 . 16 1 1 A 20 20 LEU N N 20 121.867 121.744 0.123 1
1 147 . 16 1 1 A 21 21 ARG H H 21 8.226 8.554 -0.328 1
1 148 . 16 1 1 A 21 21 ARG HA H 21 4.413 4.916 -0.503 1
1 155 . 16 1 1 A 21 21 ARG C C 21 176.313 177.136 -0.823 1
1 156 . 16 1 1 A 21 21 ARG CA C 21 56.194 54.018 2.176 1
1 157 . 16 1 1 A 21 21 ARG CB C 21 30.996 33.657 -2.661 1
1 160 . 16 1 1 A 21 21 ARG N N 21 121.612 125.353 -3.741 1
1 161 . 16 1 1 A 22 22 THR H H 22 8.215 8.754 -0.539 1
1 162 . 16 1 1 A 22 22 THR HA H 22 4.405 4.027 0.378 1
1 167 . 16 1 1 A 22 22 THR C C 22 174.169 175.181 -1.012 1
1 168 . 16 1 1 A 22 22 THR CA C 22 61.963 65.823 -3.860 1
1 169 . 16 1 1 A 22 22 THR CB C 22 69.779 68.277 1.502 1
1 171 . 16 1 1 A 22 22 THR N N 22 114.661 116.985 -2.324 1
1 172 . 16 1 1 A 23 23 THR H H 23 8.087 7.534 0.553 1
1 173 . 16 1 1 A 23 23 THR HA H 23 4.308 4.357 -0.049 1
1 178 . 16 1 1 A 23 23 THR C C 23 173.413 173.633 -0.220 1
1 179 . 16 1 1 A 23 23 THR CA C 23 62.158 61.966 0.192 1
1 180 . 16 1 1 A 23 23 THR CB C 23 69.916 70.415 -0.499 1
1 182 . 16 1 1 A 23 23 THR N N 23 118.008 114.262 3.746 1
1 183 . 16 1 1 A 24 24 ILE H H 24 8.110 8.505 -0.395 1
1 184 . 16 1 1 A 24 24 ILE HA H 24 4.200 4.996 -0.796 1
1 194 . 16 1 1 A 24 24 ILE C C 24 176.654 175.705 0.949 1
1 195 . 16 1 1 A 24 24 ILE CA C 24 61.690 59.832 1.858 1
1 196 . 16 1 1 A 24 24 ILE CB C 24 39.487 41.635 -2.148 1
1 200 . 16 1 1 A 24 24 ILE N N 24 124.852 120.619 4.233 1
1 201 . 16 1 1 A 25 25 THR H H 25 9.023 8.491 0.532 1
1 202 . 16 1 1 A 25 25 THR HA H 25 4.564 4.986 -0.422 1
1 207 . 16 1 1 A 25 25 THR C C 25 173.433 174.285 -0.852 1
1 208 . 16 1 1 A 25 25 THR CA C 25 60.759 58.711 2.048 1
1 209 . 16 1 1 A 25 25 THR CB C 25 68.089 69.621 -1.532 1
1 211 . 16 1 1 A 25 25 THR N N 25 120.568 115.698 4.870 1
1 212 . 16 1 1 A 26 26 PRO HA H 26 4.172 4.575 -0.403 1
1 219 . 16 1 1 A 26 26 PRO C C 26 179.237 177.314 1.923 1
1 220 . 16 1 1 A 26 26 PRO CA C 26 65.917 64.469 1.448 1
1 221 . 16 1 1 A 26 26 PRO CB C 26 31.725 31.735 -0.010 1
1 224 . 16 1 1 A 27 27 GLU H H 27 8.722 8.482 0.240 1
1 225 . 16 1 1 A 27 27 GLU HA H 27 4.006 4.254 -0.248 1
1 230 . 16 1 1 A 27 27 GLU C C 27 179.749 178.417 1.332 1
1 231 . 16 1 1 A 27 27 GLU CA C 27 60.353 57.677 2.676 1
1 232 . 16 1 1 A 27 27 GLU CB C 27 28.851 29.989 -1.138 1
1 234 . 16 1 1 A 27 27 GLU N N 27 117.087 117.385 -0.298 1
1 235 . 16 1 1 A 28 28 GLN H H 28 7.666 7.982 -0.316 1
1 236 . 16 1 1 A 28 28 GLN HA H 28 3.767 4.085 -0.318 1
1 243 . 16 1 1 A 28 28 GLN C C 28 177.872 178.123 -0.251 1
1 244 . 16 1 1 A 28 28 GLN CA C 28 58.821 58.311 0.510 1
1 245 . 16 1 1 A 28 28 GLN CB C 28 29.401 28.631 0.770 1
1 247 . 16 1 1 A 28 28 GLN N N 28 119.298 119.549 -0.251 1
1 249 . 16 1 1 A 29 29 LEU H H 29 8.453 7.970 0.483 1
1 250 . 16 1 1 A 29 29 LEU HA H 29 3.484 3.620 -0.136 1
1 260 . 16 1 1 A 29 29 LEU C C 29 178.092 178.632 -0.540 1
1 261 . 16 1 1 A 29 29 LEU CA C 29 57.737 57.613 0.124 1
1 262 . 16 1 1 A 29 29 LEU CB C 29 41.578 41.686 -0.108 1
1 266 . 16 1 1 A 29 29 LEU N N 29 120.145 120.630 -0.485 1
1 267 . 16 1 1 A 30 30 GLU H H 30 7.607 8.348 -0.741 1
1 268 . 16 1 1 A 30 30 GLU HA H 30 4.069 4.106 -0.037 1
1 273 . 16 1 1 A 30 30 GLU C C 30 179.140 179.376 -0.236 1
1 274 . 16 1 1 A 30 30 GLU CA C 30 59.334 59.739 -0.405 1
1 275 . 16 1 1 A 30 30 GLU CB C 30 29.512 29.367 0.145 1
1 277 . 16 1 1 A 30 30 GLU N N 30 116.903 116.593 0.310 1
1 278 . 16 1 1 A 31 31 ILE H H 31 7.070 8.081 -1.011 1
1 279 . 16 1 1 A 31 31 ILE HA H 31 3.692 3.662 0.030 1
1 289 . 16 1 1 A 31 31 ILE C C 31 178.287 178.581 -0.294 1
1 290 . 16 1 1 A 31 31 ILE CA C 31 64.416 65.863 -1.447 1
1 291 . 16 1 1 A 31 31 ILE CB C 31 37.777 38.018 -0.241 1
1 295 . 16 1 1 A 31 31 ILE N N 31 118.947 120.927 -1.980 1
1 296 . 16 1 1 A 32 32 LEU H H 32 8.126 8.074 0.052 1
1 297 . 16 1 1 A 32 32 LEU HA H 32 3.418 3.753 -0.335 1
1 307 . 16 1 1 A 32 32 LEU C C 32 178.311 178.734 -0.423 1
1 308 . 16 1 1 A 32 32 LEU CA C 32 58.497 57.790 0.707 1
1 309 . 16 1 1 A 32 32 LEU CB C 32 38.146 40.928 -2.782 1
1 313 . 16 1 1 A 32 32 LEU N N 32 120.437 118.533 1.904 1
1 314 . 16 1 1 A 33 33 TYR H H 33 8.312 8.360 -0.048 1
1 315 . 16 1 1 A 33 33 TYR HA H 33 4.358 4.505 -0.147 1
1 322 . 16 1 1 A 33 33 TYR C C 33 178.214 178.621 -0.407 1
1 323 . 16 1 1 A 33 33 TYR CA C 33 62.645 60.914 1.731 1
1 324 . 16 1 1 A 33 33 TYR CB C 33 37.807 37.876 -0.069 1
1 329 . 16 1 1 A 33 33 TYR N N 33 117.248 118.129 -0.881 1
1 330 . 16 1 1 A 34 34 GLN H H 34 7.750 8.804 -1.054 1
1 331 . 16 1 1 A 34 34 GLN HA H 34 3.967 3.941 0.026 1
1 338 . 16 1 1 A 34 34 GLN C C 34 180.065 179.184 0.881 1
1 339 . 16 1 1 A 34 34 GLN CA C 34 59.143 59.401 -0.258 1
1 340 . 16 1 1 A 34 34 GLN CB C 34 27.781 28.634 -0.853 1
1 342 . 16 1 1 A 34 34 GLN N N 34 117.509 118.231 -0.722 1
1 344 . 16 1 1 A 35 35 LYS H H 35 8.381 8.094 0.287 1
1 345 . 16 1 1 A 35 35 LYS HA H 35 4.132 4.210 -0.078 1
1 354 . 16 1 1 A 35 35 LYS C C 35 179.456 178.899 0.557 1
1 355 . 16 1 1 A 35 35 LYS CA C 35 57.839 58.599 -0.760 1
1 356 . 16 1 1 A 35 35 LYS CB C 35 31.487 32.602 -1.115 1
1 360 . 16 1 1 A 35 35 LYS N N 35 117.671 120.384 -2.713 1
1 361 . 16 1 1 A 36 36 TYR H H 36 9.036 8.420 0.616 1
1 362 . 16 1 1 A 36 36 TYR HA H 36 4.164 4.753 -0.589 1
1 369 . 16 1 1 A 36 36 TYR C C 36 176.630 177.411 -0.781 1
1 370 . 16 1 1 A 36 36 TYR CA C 36 61.726 61.462 0.264 1
1 371 . 16 1 1 A 36 36 TYR CB C 36 38.579 38.382 0.197 1
1 376 . 16 1 1 A 36 36 TYR N N 36 124.434 123.087 1.347 1
1 377 . 16 1 1 A 37 37 LEU H H 37 7.848 9.195 -1.347 1
1 378 . 16 1 1 A 37 37 LEU HA H 37 3.918 4.009 -0.091 1
1 388 . 16 1 1 A 37 37 LEU C C 37 179.334 179.579 -0.245 1
1 389 . 16 1 1 A 37 37 LEU CA C 37 56.827 58.235 -1.408 1
1 390 . 16 1 1 A 37 37 LEU CB C 37 42.069 41.622 0.447 1
1 394 . 16 1 1 A 37 37 LEU N N 37 116.192 120.323 -4.131 1
1 395 . 16 1 1 A 38 38 LEU H H 38 7.230 7.337 -0.107 1
1 396 . 16 1 1 A 38 38 LEU HA H 38 4.150 4.338 -0.188 1
1 406 . 16 1 1 A 38 38 LEU C C 38 178.116 176.314 1.802 1
1 407 . 16 1 1 A 38 38 LEU CA C 38 56.915 56.317 0.598 1
1 408 . 16 1 1 A 38 38 LEU CB C 38 42.336 42.679 -0.343 1
1 412 . 16 1 1 A 38 38 LEU N N 38 118.422 113.271 5.151 1
1 413 . 16 1 1 A 39 39 ASP H H 39 7.543 8.143 -0.600 1
1 414 . 16 1 1 A 39 39 ASP HA H 39 4.364 4.904 -0.540 1
1 417 . 16 1 1 A 39 39 ASP C C 39 174.778 175.856 -1.078 1
1 418 . 16 1 1 A 39 39 ASP CA C 39 54.731 53.533 1.198 1
1 419 . 16 1 1 A 39 39 ASP CB C 39 41.134 42.315 -1.181 1
1 420 . 16 1 1 A 39 39 ASP N N 39 117.417 119.116 -1.699 1
1 421 . 16 1 1 A 40 40 SER H H 40 8.240 8.588 -0.348 1
1 422 . 16 1 1 A 40 40 SER HA H 40 3.984 4.693 -0.709 1
1 425 . 16 1 1 A 40 40 SER C C 40 174.169 175.041 -0.872 1
1 426 . 16 1 1 A 40 40 SER CA C 40 58.825 57.701 1.124 1
1 427 . 16 1 1 A 40 40 SER CB C 40 63.964 63.485 0.479 1
1 428 . 16 1 1 A 40 40 SER N N 40 119.077 119.811 -0.734 1
1 429 . 16 1 1 A 41 41 ASN H H 41 8.711 7.735 0.976 1
1 430 . 16 1 1 A 41 41 ASN HA H 41 5.007 5.202 -0.195 1
1 435 . 16 1 1 A 41 41 ASN C C 41 171.078 172.444 -1.366 1
1 436 . 16 1 1 A 41 41 ASN CA C 41 51.291 50.863 0.428 1
1 437 . 16 1 1 A 41 41 ASN CB C 41 39.815 39.555 0.260 1
1 438 . 16 1 1 A 41 41 ASN N N 41 119.546 119.046 0.500 1
1 440 . 16 1 1 A 42 42 PRO HA H 42 4.408 4.645 -0.237 1
1 447 . 16 1 1 A 42 42 PRO C C 42 177.028 175.454 1.574 1
1 448 . 16 1 1 A 42 42 PRO CA C 42 62.678 62.376 0.302 1
1 449 . 16 1 1 A 42 42 PRO CB C 42 31.869 33.022 -1.153 1
1 452 . 16 1 1 A 43 43 THR H H 43 7.797 8.343 -0.546 1
1 453 . 16 1 1 A 43 43 THR HA H 43 4.205 4.942 -0.737 1
1 458 . 16 1 1 A 43 43 THR C C 43 174.729 174.718 0.011 1
1 459 . 16 1 1 A 43 43 THR CA C 43 60.690 59.688 1.002 1
1 460 . 16 1 1 A 43 43 THR CB C 43 71.138 71.398 -0.260 1
1 462 . 16 1 1 A 43 43 THR N N 43 111.399 115.547 -4.148 1
1 463 . 16 1 1 A 44 44 ARG H H 44 8.718 8.856 -0.138 1
1 464 . 16 1 1 A 44 44 ARG HA H 44 3.863 3.926 -0.063 1
1 471 . 16 1 1 A 44 44 ARG C C 44 178.384 177.776 0.608 1
1 472 . 16 1 1 A 44 44 ARG CA C 44 60.014 59.736 0.278 1
1 473 . 16 1 1 A 44 44 ARG CB C 44 29.512 30.040 -0.528 1
1 476 . 16 1 1 A 44 44 ARG N N 44 120.640 126.566 -5.926 1
1 477 . 16 1 1 A 45 45 LYS H H 45 8.142 7.916 0.226 1
1 478 . 16 1 1 A 45 45 LYS HA H 45 4.070 4.050 0.020 1
1 487 . 16 1 1 A 45 45 LYS C C 45 179.334 178.823 0.511 1
1 488 . 16 1 1 A 45 45 LYS CA C 45 59.170 59.364 -0.194 1
1 489 . 16 1 1 A 45 45 LYS CB C 45 32.457 32.223 0.234 1
1 493 . 16 1 1 A 45 45 LYS N N 45 117.851 119.388 -1.537 1
1 494 . 16 1 1 A 46 46 MET H H 46 7.560 8.107 -0.547 1
1 495 . 16 1 1 A 46 46 MET HA H 46 4.329 4.176 0.153 1
1 503 . 16 1 1 A 46 46 MET C C 46 178.774 178.861 -0.087 1
1 504 . 16 1 1 A 46 46 MET CA C 46 57.799 58.557 -0.758 1
1 505 . 16 1 1 A 46 46 MET CB C 46 32.210 32.777 -0.567 1
1 508 . 16 1 1 A 46 46 MET N N 46 119.433 118.205 1.228 1
1 509 . 16 1 1 A 47 47 LEU H H 47 8.624 8.293 0.331 1
1 510 . 16 1 1 A 47 47 LEU HA H 47 3.758 3.761 -0.003 1
1 520 . 16 1 1 A 47 47 LEU C C 47 178.701 178.621 0.080 1
1 521 . 16 1 1 A 47 47 LEU CA C 47 58.648 58.084 0.564 1
1 522 . 16 1 1 A 47 47 LEU CB C 47 42.248 41.337 0.911 1
1 526 . 16 1 1 A 47 47 LEU N N 47 120.980 119.614 1.366 1
1 527 . 16 1 1 A 48 48 ASP H H 48 7.891 8.117 -0.226 1
1 528 . 16 1 1 A 48 48 ASP HA H 48 4.275 4.336 -0.061 1
1 531 . 16 1 1 A 48 48 ASP C C 48 178.798 178.176 0.622 1
1 532 . 16 1 1 A 48 48 ASP CA C 48 57.662 57.370 0.292 1
1 533 . 16 1 1 A 48 48 ASP CB C 48 40.347 41.388 -1.041 1
1 534 . 16 1 1 A 48 48 ASP N N 48 119.025 119.501 -0.476 1
1 535 . 16 1 1 A 49 49 HIS H H 49 7.760 7.839 -0.079 1
1 536 . 16 1 1 A 49 49 HIS HA H 49 4.390 4.235 0.155 1
1 540 . 16 1 1 A 49 49 HIS C C 49 178.287 177.061 1.226 1
1 541 . 16 1 1 A 49 49 HIS CA C 49 59.930 60.008 -0.078 1
1 542 . 16 1 1 A 49 49 HIS CB C 49 30.348 30.113 0.235 1
1 544 . 16 1 1 A 49 49 HIS N N 49 120.629 119.046 1.583 1
1 545 . 16 1 1 A 50 50 ILE H H 50 8.934 8.468 0.466 1
1 546 . 16 1 1 A 50 50 ILE HA H 50 3.619 3.585 0.034 1
1 556 . 16 1 1 A 50 50 ILE C C 50 177.410 178.254 -0.844 1
1 557 . 16 1 1 A 50 50 ILE CA C 50 65.779 65.650 0.129 1
1 558 . 16 1 1 A 50 50 ILE CB C 50 38.622 37.727 0.895 1
1 562 . 16 1 1 A 50 50 ILE N N 50 120.913 120.051 0.862 1
1 563 . 16 1 1 A 51 51 ALA H H 51 8.423 8.069 0.354 1
1 564 . 16 1 1 A 51 51 ALA HA H 51 3.859 4.111 -0.252 1
1 568 . 16 1 1 A 51 51 ALA C C 51 179.213 179.877 -0.664 1
1 569 . 16 1 1 A 51 51 ALA CA C 51 56.348 54.518 1.830 1
1 570 . 16 1 1 A 51 51 ALA CB C 51 17.292 18.051 -0.759 1
1 571 . 16 1 1 A 51 51 ALA N N 51 120.695 120.820 -0.125 1
1 572 . 16 1 1 A 52 52 HIS H H 52 7.735 8.173 -0.438 1
1 573 . 16 1 1 A 52 52 HIS HA H 52 4.273 4.175 0.098 1
1 577 . 16 1 1 A 52 52 HIS C C 52 177.799 177.247 0.552 1
1 578 . 16 1 1 A 52 52 HIS CA C 52 59.406 59.311 0.095 1
1 579 . 16 1 1 A 52 52 HIS CB C 52 29.842 29.751 0.091 1
1 581 . 16 1 1 A 52 52 HIS N N 52 115.822 117.936 -2.114 1
1 582 . 16 1 1 A 53 53 GLU H H 53 8.299 8.278 0.021 1
1 583 . 16 1 1 A 53 53 GLU HA H 53 3.842 4.020 -0.178 1
1 588 . 16 1 1 A 53 53 GLU C C 53 178.652 178.355 0.297 1
1 589 . 16 1 1 A 53 53 GLU CA C 53 59.434 59.382 0.052 1
1 590 . 16 1 1 A 53 53 GLU CB C 53 30.204 29.111 1.093 1
1 592 . 16 1 1 A 53 53 GLU N N 53 120.073 117.707 2.366 1
1 593 . 16 1 1 A 54 54 VAL H H 54 8.446 7.850 0.596 1
1 594 . 16 1 1 A 54 54 VAL HA H 54 4.150 3.958 0.192 1
1 602 . 16 1 1 A 54 54 VAL C C 54 175.899 177.083 -1.184 1
1 603 . 16 1 1 A 54 54 VAL CA C 54 62.001 64.824 -2.823 1
1 604 . 16 1 1 A 54 54 VAL CB C 54 33.000 31.614 1.386 1
1 607 . 16 1 1 A 54 54 VAL N N 54 112.194 119.017 -6.823 1
1 608 . 16 1 1 A 55 55 GLY H H 55 7.879 8.158 -0.279 1
1 609 . 16 1 1 A 55 55 GLY HA2 H 55 3.975 3.881 0.094 1
1 610 . 16 1 1 A 55 55 GLY HA3 H 55 3.814 3.915 -0.101 1
1 611 . 16 1 1 A 55 55 GLY C C 55 174.461 174.153 0.308 1
1 612 . 16 1 1 A 55 55 GLY CA C 55 46.551 46.329 0.222 1
1 613 . 16 1 1 A 55 55 GLY N N 55 111.306 109.559 1.747 1
1 614 . 16 1 1 A 56 56 LEU H H 56 7.766 7.335 0.431 1
1 615 . 16 1 1 A 56 56 LEU HA H 56 4.825 4.765 0.060 1
1 625 . 16 1 1 A 56 56 LEU C C 56 175.704 175.735 -0.031 1
1 626 . 16 1 1 A 56 56 LEU CA C 56 52.223 53.321 -1.098 1
1 627 . 16 1 1 A 56 56 LEU CB C 56 47.913 45.734 2.179 1
1 631 . 16 1 1 A 56 56 LEU N N 56 119.685 121.352 -1.667 1
1 632 . 16 1 1 A 57 57 LYS H H 57 8.268 8.450 -0.182 1
1 633 . 16 1 1 A 57 57 LYS HA H 57 4.212 4.139 0.073 1
1 642 . 16 1 1 A 57 57 LYS C C 57 178.555 177.649 0.906 1
1 643 . 16 1 1 A 57 57 LYS CA C 57 56.375 57.360 -0.985 1
1 644 . 16 1 1 A 57 57 LYS CB C 57 32.750 32.474 0.276 1
1 648 . 16 1 1 A 57 57 LYS N N 57 118.380 124.836 -6.456 1
1 649 . 16 1 1 A 58 58 LYS H H 58 8.853 8.969 -0.116 1
1 650 . 16 1 1 A 58 58 LYS HA H 58 3.670 3.812 -0.142 1
1 659 . 16 1 1 A 58 58 LYS C C 58 178.652 178.309 0.343 1
1 660 . 16 1 1 A 58 58 LYS CA C 58 61.026 60.576 0.450 1
1 661 . 16 1 1 A 58 58 LYS CB C 58 31.655 32.404 -0.749 1
1 665 . 16 1 1 A 58 58 LYS N N 58 123.883 126.378 -2.495 1
1 666 . 16 1 1 A 59 59 ARG H H 59 8.834 7.723 1.111 1
1 667 . 16 1 1 A 59 59 ARG HA H 59 4.120 4.111 0.009 1
1 674 . 16 1 1 A 59 59 ARG C C 59 177.872 178.805 -0.933 1
1 675 . 16 1 1 A 59 59 ARG CA C 59 58.851 58.781 0.070 1
1 676 . 16 1 1 A 59 59 ARG CB C 59 29.832 29.947 -0.115 1
1 679 . 16 1 1 A 59 59 ARG N N 59 117.315 119.286 -1.971 1
1 680 . 16 1 1 A 60 60 VAL H H 60 6.892 8.149 -1.257 1
1 681 . 16 1 1 A 60 60 VAL HA H 60 3.677 3.754 -0.077 1
1 689 . 16 1 1 A 60 60 VAL C C 60 178.701 178.560 0.141 1
1 690 . 16 1 1 A 60 60 VAL CA C 60 65.741 66.190 -0.449 1
1 691 . 16 1 1 A 60 60 VAL CB C 60 31.520 31.641 -0.121 1
1 694 . 16 1 1 A 60 60 VAL N N 60 117.560 119.858 -2.298 1
1 695 . 16 1 1 A 61 61 VAL H H 61 7.394 8.111 -0.717 1
1 696 . 16 1 1 A 61 61 VAL HA H 61 3.647 3.706 -0.059 1
1 704 . 16 1 1 A 61 61 VAL C C 61 177.385 178.348 -0.963 1
1 705 . 16 1 1 A 61 61 VAL CA C 61 67.232 66.920 0.312 1
1 706 . 16 1 1 A 61 61 VAL CB C 61 32.125 31.242 0.883 1
1 709 . 16 1 1 A 61 61 VAL N N 61 119.625 120.873 -1.248 1
1 710 . 16 1 1 A 62 62 GLN H H 62 8.681 8.477 0.204 1
1 711 . 16 1 1 A 62 62 GLN HA H 62 4.047 4.003 0.044 1
1 718 . 16 1 1 A 62 62 GLN C C 62 178.798 178.412 0.386 1
1 719 . 16 1 1 A 62 62 GLN CA C 62 60.169 58.782 1.387 1
1 720 . 16 1 1 A 62 62 GLN CB C 62 28.935 28.732 0.203 1
1 722 . 16 1 1 A 62 62 GLN N N 62 119.803 119.985 -0.182 1
1 724 . 16 1 1 A 63 63 VAL H H 63 8.279 8.195 0.084 1
1 725 . 16 1 1 A 63 63 VAL HA H 63 3.703 3.856 -0.153 1
1 733 . 16 1 1 A 63 63 VAL C C 63 177.263 177.986 -0.723 1
1 734 . 16 1 1 A 63 63 VAL CA C 63 66.384 65.991 0.393 1
1 735 . 16 1 1 A 63 63 VAL CB C 63 31.983 31.692 0.291 1
1 738 . 16 1 1 A 63 63 VAL N N 63 120.104 119.107 0.997 1
1 739 . 16 1 1 A 64 64 TRP H H 64 8.376 8.478 -0.102 1
1 740 . 16 1 1 A 64 64 TRP HA H 64 4.015 4.191 -0.176 1
1 749 . 16 1 1 A 64 64 TRP C C 64 180.309 178.085 2.224 1
1 750 . 16 1 1 A 64 64 TRP CA C 64 63.421 60.582 2.839 1
1 751 . 16 1 1 A 64 64 TRP CB C 64 28.382 29.956 -1.574 1
1 757 . 16 1 1 A 64 64 TRP N N 64 122.121 121.798 0.323 1
1 759 . 16 1 1 A 65 65 PHE H H 65 9.032 8.089 0.943 1
1 760 . 16 1 1 A 65 65 PHE HA H 65 3.662 4.485 -0.823 1
1 768 . 16 1 1 A 65 65 PHE C C 65 178.214 178.820 -0.606 1
1 769 . 16 1 1 A 65 65 PHE CA C 65 63.919 61.141 2.778 1
1 770 . 16 1 1 A 65 65 PHE CB C 65 39.512 39.686 -0.174 1
1 776 . 16 1 1 A 65 65 PHE N N 65 120.975 116.811 4.164 1
1 777 . 16 1 1 A 66 66 GLN H H 66 8.021 7.976 0.045 1
1 778 . 16 1 1 A 66 66 GLN HA H 66 3.957 4.097 -0.140 1
1 785 . 16 1 1 A 66 66 GLN C C 66 179.066 177.924 1.142 1
1 786 . 16 1 1 A 66 66 GLN CA C 66 59.426 58.710 0.716 1
1 787 . 16 1 1 A 66 66 GLN CB C 66 28.536 28.102 0.434 1
1 789 . 16 1 1 A 66 66 GLN N N 66 117.887 117.065 0.822 1
1 791 . 16 1 1 A 67 67 ASN H H 67 8.807 8.018 0.789 1
1 792 . 16 1 1 A 67 67 ASN HA H 67 4.331 4.466 -0.135 1
1 797 . 16 1 1 A 67 67 ASN C C 67 177.775 177.912 -0.137 1
1 798 . 16 1 1 A 67 67 ASN CA C 67 55.461 55.900 -0.439 1
1 799 . 16 1 1 A 67 67 ASN CB C 67 37.718 38.423 -0.705 1
1 800 . 16 1 1 A 67 67 ASN N N 67 119.312 118.454 0.858 1
1 802 . 16 1 1 A 68 68 THR H H 68 8.092 7.384 0.708 1
1 803 . 16 1 1 A 68 68 THR HA H 68 3.262 3.408 -0.146 1
1 808 . 16 1 1 A 68 68 THR C C 68 175.972 176.235 -0.263 1
1 809 . 16 1 1 A 68 68 THR CA C 68 66.903 66.782 0.121 1
1 810 . 16 1 1 A 68 68 THR CB C 68 67.800 67.859 -0.059 1
1 812 . 16 1 1 A 68 68 THR N N 68 120.500 116.403 4.097 1
1 813 . 16 1 1 A 69 69 ARG H H 69 8.154 8.159 -0.005 1
1 814 . 16 1 1 A 69 69 ARG HA H 69 4.362 4.170 0.192 1
1 821 . 16 1 1 A 69 69 ARG C C 69 179.432 178.583 0.849 1
1 822 . 16 1 1 A 69 69 ARG CA C 69 59.805 59.989 -0.184 1
1 823 . 16 1 1 A 69 69 ARG CB C 69 31.490 30.245 1.245 1
1 826 . 16 1 1 A 69 69 ARG N N 69 121.451 119.376 2.075 1
1 827 . 16 1 1 A 70 70 ALA H H 70 7.686 7.787 -0.101 1
1 828 . 16 1 1 A 70 70 ALA HA H 70 4.107 4.069 0.038 1
1 832 . 16 1 1 A 70 70 ALA C C 70 179.724 180.057 -0.333 1
1 833 . 16 1 1 A 70 70 ALA CA C 70 54.512 55.023 -0.511 1
1 834 . 16 1 1 A 70 70 ALA CB C 70 18.187 18.527 -0.340 1
1 835 . 16 1 1 A 70 70 ALA N N 70 119.887 121.523 -1.636 1
1 836 . 16 1 1 A 71 71 ARG H H 71 7.588 7.627 -0.039 1
1 837 . 16 1 1 A 71 71 ARG HA H 71 4.073 3.987 0.086 1
1 844 . 16 1 1 A 71 71 ARG C C 71 177.775 179.179 -1.404 1
1 845 . 16 1 1 A 71 71 ARG CA C 71 57.849 59.715 -1.866 1
1 846 . 16 1 1 A 71 71 ARG CB C 71 30.419 29.971 0.448 1
1 849 . 16 1 1 A 71 71 ARG N N 71 117.554 117.713 -0.159 1
1 850 . 16 1 1 A 72 72 GLU H H 72 7.776 8.285 -0.509 1
1 851 . 16 1 1 A 72 72 GLU HA H 72 4.129 3.994 0.135 1
1 856 . 16 1 1 A 72 72 GLU C C 72 177.190 179.184 -1.994 1
1 857 . 16 1 1 A 72 72 GLU CA C 72 57.625 59.300 -1.675 1
1 858 . 16 1 1 A 72 72 GLU CB C 72 29.815 29.367 0.448 1
1 860 . 16 1 1 A 72 72 GLU N N 72 119.019 119.756 -0.737 1
1 861 . 16 1 1 A 73 73 ARG H H 73 7.956 8.311 -0.355 1
1 862 . 16 1 1 A 73 73 ARG HA H 73 4.228 4.095 0.133 1
1 869 . 16 1 1 A 73 73 ARG C C 73 176.581 178.510 -1.929 1
1 870 . 16 1 1 A 73 73 ARG CA C 73 56.773 59.171 -2.398 1
1 871 . 16 1 1 A 73 73 ARG CB C 73 30.254 29.960 0.294 1
1 874 . 16 1 1 A 73 73 ARG N N 73 119.948 119.160 0.788 1
1 875 . 16 1 1 A 74 74 LYS H H 74 8.155 8.239 -0.084 1
1 876 . 16 1 1 A 74 74 LYS HA H 74 4.329 4.014 0.315 1
1 885 . 16 1 1 A 74 74 LYS C C 74 176.703 176.000 0.703 1
1 886 . 16 1 1 A 74 74 LYS CA C 74 56.458 59.253 -2.795 1
1 887 . 16 1 1 A 74 74 LYS CB C 74 32.825 32.209 0.616 1
1 891 . 16 1 1 A 74 74 LYS N N 74 121.577 120.152 1.425 1
1 892 . 16 1 1 A 75 75 SER H H 75 8.246 7.515 0.731 1
1 893 . 16 1 1 A 75 75 SER HA H 75 4.474 4.895 -0.421 1
1 896 . 16 1 1 A 75 75 SER C C 75 174.486 174.150 0.336 1
1 897 . 16 1 1 A 75 75 SER CA C 75 58.365 58.216 0.149 1
1 898 . 16 1 1 A 75 75 SER CB C 75 63.967 64.742 -0.775 1
1 899 . 16 1 1 A 75 75 SER N N 75 116.340 113.965 2.375 1
1 900 . 16 1 1 A 76 76 GLY H H 76 8.205 8.425 -0.220 1
1 901 . 16 1 1 A 76 76 GLY HA2 H 76 4.118 4.212 -0.094 1
1 902 . 16 1 1 A 76 76 GLY HA3 H 76 4.118 4.213 -0.095 1
1 903 . 16 1 1 A 76 76 GLY C C 76 171.758 174.189 -2.431 1
1 904 . 16 1 1 A 76 76 GLY CA C 76 44.661 45.216 -0.555 1
1 905 . 16 1 1 A 76 76 GLY N N 76 110.555 110.533 0.022 1
1 906 . 16 1 1 A 77 77 PRO HA H 77 4.450 4.399 0.051 1
1 913 . 16 1 1 A 77 77 PRO C C 77 177.458 177.245 0.213 1
1 914 . 16 1 1 A 77 77 PRO CA C 77 63.249 63.709 -0.460 1
1 915 . 16 1 1 A 77 77 PRO CB C 77 32.180 31.870 0.310 1
1 918 . 16 1 1 A 78 78 SER H H 78 8.525 8.355 0.170 1
1 919 . 16 1 1 A 78 78 SER HA H 78 4.471 4.099 0.372 1
1 922 . 16 1 1 A 78 78 SER C C 78 174.648 174.814 -0.166 1
1 923 . 16 1 1 A 78 78 SER CA C 78 58.460 61.469 -3.009 1
1 924 . 16 1 1 A 78 78 SER CB C 78 63.885 63.123 0.762 1
1 925 . 16 1 1 A 78 78 SER N N 78 116.381 113.791 2.590 1
1 926 . 16 1 1 A 79 79 SER H H 79 8.309 7.950 0.359 1
1 927 . 16 1 1 A 79 79 SER HA H 79 4.457 4.293 0.164 1
1 930 . 16 1 1 A 79 79 SER C C 79 173.925 174.880 -0.955 1
1 931 . 16 1 1 A 79 79 SER CA C 79 58.401 59.377 -0.976 1
1 932 . 16 1 1 A 79 79 SER CB C 79 64.132 63.342 0.790 1
1 933 . 16 1 1 A 79 79 SER N N 79 117.741 113.415 4.326 1
1 1 . 17 1 1 A 8 8 GLY HA2 H 8 4.031 4.147 -0.116 1
1 2 . 17 1 1 A 8 8 GLY HA3 H 8 4.031 4.150 -0.119 1
1 3 . 17 1 1 A 8 8 GLY C C 8 174.729 174.208 0.521 1
1 4 . 17 1 1 A 8 8 GLY CA C 8 45.278 45.457 -0.179 1
1 5 . 17 1 1 A 9 9 THR H H 9 8.248 8.141 0.107 1
1 6 . 17 1 1 A 9 9 THR HA H 9 4.376 4.523 -0.147 1
1 11 . 17 1 1 A 9 9 THR C C 9 175.485 174.000 1.485 1
1 12 . 17 1 1 A 9 9 THR CA C 9 61.837 60.681 1.156 1
1 13 . 17 1 1 A 9 9 THR CB C 9 69.737 69.398 0.339 1
1 15 . 17 1 1 A 9 9 THR N N 9 112.908 115.489 -2.581 1
1 16 . 17 1 1 A 10 10 GLY H H 10 8.581 8.192 0.389 1
1 17 . 17 1 1 A 10 10 GLY HA2 H 10 3.985 4.007 -0.022 1
1 18 . 17 1 1 A 10 10 GLY HA3 H 10 3.985 4.009 -0.024 1
1 19 . 17 1 1 A 10 10 GLY C C 10 174.705 174.439 0.266 1
1 20 . 17 1 1 A 10 10 GLY CA C 10 45.455 45.530 -0.075 1
1 21 . 17 1 1 A 10 10 GLY N N 10 111.487 111.539 -0.052 1
1 22 . 17 1 1 A 11 11 GLY H H 11 8.286 8.721 -0.435 1
1 23 . 17 1 1 A 11 11 GLY HA2 H 11 3.958 4.041 -0.083 1
1 24 . 17 1 1 A 11 11 GLY HA3 H 11 3.958 4.042 -0.084 1
1 25 . 17 1 1 A 11 11 GLY C C 11 174.071 172.888 1.183 1
1 26 . 17 1 1 A 11 11 GLY CA C 11 45.101 44.327 0.774 1
1 27 . 17 1 1 A 11 11 GLY N N 11 108.887 112.760 -3.873 1
1 28 . 17 1 1 A 12 12 GLU H H 12 8.333 8.369 -0.036 1
1 29 . 17 1 1 A 12 12 GLU HA H 12 4.271 5.009 -0.738 1
1 34 . 17 1 1 A 12 12 GLU C C 12 176.435 175.078 1.357 1
1 35 . 17 1 1 A 12 12 GLU CA C 12 56.278 55.002 1.276 1
1 36 . 17 1 1 A 12 12 GLU CB C 12 30.358 33.333 -2.975 1
1 38 . 17 1 1 A 12 12 GLU N N 12 120.407 122.960 -2.553 1
1 39 . 17 1 1 A 13 13 GLU H H 13 8.546 8.762 -0.216 1
1 40 . 17 1 1 A 13 13 GLU HA H 13 4.521 4.733 -0.212 1
1 45 . 17 1 1 A 13 13 GLU C C 13 174.648 175.041 -0.393 1
1 46 . 17 1 1 A 13 13 GLU CA C 13 54.687 54.325 0.362 1
1 47 . 17 1 1 A 13 13 GLU CB C 13 29.688 30.618 -0.930 1
1 49 . 17 1 1 A 13 13 GLU N N 13 123.832 125.474 -1.642 1
1 50 . 17 1 1 A 14 14 PRO HA H 14 4.375 4.480 -0.105 1
1 57 . 17 1 1 A 14 14 PRO C C 14 177.117 176.865 0.252 1
1 58 . 17 1 1 A 14 14 PRO CA C 14 63.379 62.547 0.832 1
1 59 . 17 1 1 A 14 14 PRO CB C 14 32.003 31.959 0.044 1
1 62 . 17 1 1 A 15 15 GLN H H 15 8.543 8.382 0.161 1
1 63 . 17 1 1 A 15 15 GLN HA H 15 4.230 4.409 -0.179 1
1 70 . 17 1 1 A 15 15 GLN C C 15 176.459 175.570 0.889 1
1 71 . 17 1 1 A 15 15 GLN CA C 15 56.171 55.603 0.568 1
1 72 . 17 1 1 A 15 15 GLN CB C 15 28.935 27.891 1.044 1
1 74 . 17 1 1 A 15 15 GLN N N 15 120.153 119.644 0.509 1
1 76 . 17 1 1 A 16 16 ARG H H 16 8.337 8.087 0.250 1
1 77 . 17 1 1 A 16 16 ARG HA H 16 4.219 4.990 -0.771 1
1 84 . 17 1 1 A 16 16 ARG C C 16 176.216 174.997 1.219 1
1 85 . 17 1 1 A 16 16 ARG CA C 16 56.809 54.569 2.240 1
1 86 . 17 1 1 A 16 16 ARG CB C 16 30.666 33.335 -2.669 1
1 89 . 17 1 1 A 16 16 ARG N N 16 122.090 122.178 -0.088 1
1 90 . 17 1 1 A 17 17 ASP H H 17 8.313 8.586 -0.273 1
1 91 . 17 1 1 A 17 17 ASP HA H 17 4.523 4.877 -0.354 1
1 94 . 17 1 1 A 17 17 ASP C C 17 176.727 176.265 0.462 1
1 95 . 17 1 1 A 17 17 ASP CA C 17 54.591 52.516 2.075 1
1 96 . 17 1 1 A 17 17 ASP CB C 17 41.097 40.131 0.966 1
1 97 . 17 1 1 A 17 17 ASP N N 17 120.664 119.022 1.642 1
1 98 . 17 1 1 A 18 18 LYS H H 18 8.276 7.698 0.578 1
1 99 . 17 1 1 A 18 18 LYS HA H 18 4.175 4.385 -0.210 1
1 108 . 17 1 1 A 18 18 LYS C C 18 176.971 175.070 1.901 1
1 109 . 17 1 1 A 18 18 LYS CA C 18 56.971 56.140 0.831 1
1 110 . 17 1 1 A 18 18 LYS CB C 18 32.562 31.715 0.847 1
1 114 . 17 1 1 A 18 18 LYS N N 18 122.504 120.698 1.806 1
1 115 . 17 1 1 A 19 19 ARG H H 19 8.240 7.526 0.714 1
1 116 . 17 1 1 A 19 19 ARG HA H 19 4.205 4.791 -0.586 1
1 123 . 17 1 1 A 19 19 ARG C C 19 176.532 173.954 2.578 1
1 124 . 17 1 1 A 19 19 ARG CA C 19 56.632 55.773 0.859 1
1 125 . 17 1 1 A 19 19 ARG CB C 19 30.647 33.919 -3.272 1
1 128 . 17 1 1 A 19 19 ARG N N 19 120.296 120.838 -0.542 1
1 129 . 17 1 1 A 20 20 LEU H H 20 8.068 8.760 -0.692 1
1 130 . 17 1 1 A 20 20 LEU HA H 20 4.262 4.980 -0.718 1
1 140 . 17 1 1 A 20 20 LEU C C 20 177.288 175.438 1.850 1
1 141 . 17 1 1 A 20 20 LEU CA C 20 55.110 54.338 0.772 1
1 142 . 17 1 1 A 20 20 LEU CB C 20 42.081 44.627 -2.546 1
1 146 . 17 1 1 A 20 20 LEU N N 20 121.867 126.596 -4.729 1
1 147 . 17 1 1 A 21 21 ARG H H 21 8.226 8.368 -0.142 1
1 148 . 17 1 1 A 21 21 ARG HA H 21 4.413 4.890 -0.477 1
1 155 . 17 1 1 A 21 21 ARG C C 21 176.313 176.488 -0.175 1
1 156 . 17 1 1 A 21 21 ARG CA C 21 56.194 53.656 2.538 1
1 157 . 17 1 1 A 21 21 ARG CB C 21 30.996 34.169 -3.173 1
1 160 . 17 1 1 A 21 21 ARG N N 21 121.612 123.634 -2.022 1
1 161 . 17 1 1 A 22 22 THR H H 22 8.215 8.917 -0.702 1
1 162 . 17 1 1 A 22 22 THR HA H 22 4.405 3.884 0.521 1
1 167 . 17 1 1 A 22 22 THR C C 22 174.169 175.319 -1.150 1
1 168 . 17 1 1 A 22 22 THR CA C 22 61.963 66.552 -4.589 1
1 169 . 17 1 1 A 22 22 THR CB C 22 69.779 69.356 0.423 1
1 171 . 17 1 1 A 22 22 THR N N 22 114.661 116.813 -2.152 1
1 172 . 17 1 1 A 23 23 THR H H 23 8.087 7.581 0.506 1
1 173 . 17 1 1 A 23 23 THR HA H 23 4.308 4.338 -0.030 1
1 178 . 17 1 1 A 23 23 THR C C 23 173.413 173.706 -0.293 1
1 179 . 17 1 1 A 23 23 THR CA C 23 62.158 62.255 -0.097 1
1 180 . 17 1 1 A 23 23 THR CB C 23 69.916 70.242 -0.326 1
1 182 . 17 1 1 A 23 23 THR N N 23 118.008 112.776 5.232 1
1 183 . 17 1 1 A 24 24 ILE H H 24 8.110 8.383 -0.273 1
1 184 . 17 1 1 A 24 24 ILE HA H 24 4.200 4.997 -0.797 1
1 194 . 17 1 1 A 24 24 ILE C C 24 176.654 175.732 0.922 1
1 195 . 17 1 1 A 24 24 ILE CA C 24 61.690 59.759 1.931 1
1 196 . 17 1 1 A 24 24 ILE CB C 24 39.487 41.492 -2.005 1
1 200 . 17 1 1 A 24 24 ILE N N 24 124.852 120.777 4.075 1
1 201 . 17 1 1 A 25 25 THR H H 25 9.023 8.480 0.543 1
1 202 . 17 1 1 A 25 25 THR HA H 25 4.564 4.977 -0.413 1
1 207 . 17 1 1 A 25 25 THR C C 25 173.433 174.317 -0.884 1
1 208 . 17 1 1 A 25 25 THR CA C 25 60.759 58.587 2.172 1
1 209 . 17 1 1 A 25 25 THR CB C 25 68.089 69.795 -1.706 1
1 211 . 17 1 1 A 25 25 THR N N 25 120.568 115.839 4.729 1
1 212 . 17 1 1 A 26 26 PRO HA H 26 4.172 4.564 -0.392 1
1 219 . 17 1 1 A 26 26 PRO C C 26 179.237 177.372 1.865 1
1 220 . 17 1 1 A 26 26 PRO CA C 26 65.917 64.468 1.449 1
1 221 . 17 1 1 A 26 26 PRO CB C 26 31.725 31.731 -0.006 1
1 224 . 17 1 1 A 27 27 GLU H H 27 8.722 8.439 0.283 1
1 225 . 17 1 1 A 27 27 GLU HA H 27 4.006 4.268 -0.262 1
1 230 . 17 1 1 A 27 27 GLU C C 27 179.749 177.795 1.954 1
1 231 . 17 1 1 A 27 27 GLU CA C 27 60.353 57.622 2.731 1
1 232 . 17 1 1 A 27 27 GLU CB C 27 28.851 30.036 -1.185 1
1 234 . 17 1 1 A 27 27 GLU N N 27 117.087 117.527 -0.440 1
1 235 . 17 1 1 A 28 28 GLN H H 28 7.666 7.986 -0.320 1
1 236 . 17 1 1 A 28 28 GLN HA H 28 3.767 4.172 -0.405 1
1 243 . 17 1 1 A 28 28 GLN C C 28 177.872 178.039 -0.167 1
1 244 . 17 1 1 A 28 28 GLN CA C 28 58.821 57.947 0.874 1
1 245 . 17 1 1 A 28 28 GLN CB C 28 29.401 29.043 0.358 1
1 247 . 17 1 1 A 28 28 GLN N N 28 119.298 118.943 0.355 1
1 249 . 17 1 1 A 29 29 LEU H H 29 8.453 7.968 0.485 1
1 250 . 17 1 1 A 29 29 LEU HA H 29 3.484 3.508 -0.024 1
1 260 . 17 1 1 A 29 29 LEU C C 29 178.092 178.857 -0.765 1
1 261 . 17 1 1 A 29 29 LEU CA C 29 57.737 57.708 0.029 1
1 262 . 17 1 1 A 29 29 LEU CB C 29 41.578 41.641 -0.063 1
1 266 . 17 1 1 A 29 29 LEU N N 29 120.145 120.664 -0.519 1
1 267 . 17 1 1 A 30 30 GLU H H 30 7.607 8.314 -0.707 1
1 268 . 17 1 1 A 30 30 GLU HA H 30 4.069 4.116 -0.047 1
1 273 . 17 1 1 A 30 30 GLU C C 30 179.140 179.398 -0.258 1
1 274 . 17 1 1 A 30 30 GLU CA C 30 59.334 59.696 -0.362 1
1 275 . 17 1 1 A 30 30 GLU CB C 30 29.512 29.508 0.004 1
1 277 . 17 1 1 A 30 30 GLU N N 30 116.903 116.660 0.243 1
1 278 . 17 1 1 A 31 31 ILE H H 31 7.070 7.888 -0.818 1
1 279 . 17 1 1 A 31 31 ILE HA H 31 3.692 3.699 -0.007 1
1 289 . 17 1 1 A 31 31 ILE C C 31 178.287 178.645 -0.358 1
1 290 . 17 1 1 A 31 31 ILE CA C 31 64.416 65.649 -1.233 1
1 291 . 17 1 1 A 31 31 ILE CB C 31 37.777 37.844 -0.067 1
1 295 . 17 1 1 A 31 31 ILE N N 31 118.947 120.924 -1.977 1
1 296 . 17 1 1 A 32 32 LEU H H 32 8.126 8.188 -0.062 1
1 297 . 17 1 1 A 32 32 LEU HA H 32 3.418 3.884 -0.466 1
1 307 . 17 1 1 A 32 32 LEU C C 32 178.311 178.927 -0.616 1
1 308 . 17 1 1 A 32 32 LEU CA C 32 58.497 57.929 0.568 1
1 309 . 17 1 1 A 32 32 LEU CB C 32 38.146 41.348 -3.202 1
1 313 . 17 1 1 A 32 32 LEU N N 32 120.437 119.142 1.295 1
1 314 . 17 1 1 A 33 33 TYR H H 33 8.312 8.495 -0.183 1
1 315 . 17 1 1 A 33 33 TYR HA H 33 4.358 4.626 -0.268 1
1 322 . 17 1 1 A 33 33 TYR C C 33 178.214 178.555 -0.341 1
1 323 . 17 1 1 A 33 33 TYR CA C 33 62.645 60.996 1.649 1
1 324 . 17 1 1 A 33 33 TYR CB C 33 37.807 37.970 -0.163 1
1 329 . 17 1 1 A 33 33 TYR N N 33 117.248 118.139 -0.891 1
1 330 . 17 1 1 A 34 34 GLN H H 34 7.750 8.551 -0.801 1
1 331 . 17 1 1 A 34 34 GLN HA H 34 3.967 3.915 0.052 1
1 338 . 17 1 1 A 34 34 GLN C C 34 180.065 178.965 1.100 1
1 339 . 17 1 1 A 34 34 GLN CA C 34 59.143 59.434 -0.291 1
1 340 . 17 1 1 A 34 34 GLN CB C 34 27.781 28.816 -1.035 1
1 342 . 17 1 1 A 34 34 GLN N N 34 117.509 118.245 -0.736 1
1 344 . 17 1 1 A 35 35 LYS H H 35 8.381 7.986 0.395 1
1 345 . 17 1 1 A 35 35 LYS HA H 35 4.132 4.244 -0.112 1
1 354 . 17 1 1 A 35 35 LYS C C 35 179.456 178.849 0.607 1
1 355 . 17 1 1 A 35 35 LYS CA C 35 57.839 58.802 -0.963 1
1 356 . 17 1 1 A 35 35 LYS CB C 35 31.487 32.302 -0.815 1
1 360 . 17 1 1 A 35 35 LYS N N 35 117.671 120.392 -2.721 1
1 361 . 17 1 1 A 36 36 TYR H H 36 9.036 8.448 0.588 1
1 362 . 17 1 1 A 36 36 TYR HA H 36 4.164 4.783 -0.619 1
1 369 . 17 1 1 A 36 36 TYR C C 36 176.630 177.265 -0.635 1
1 370 . 17 1 1 A 36 36 TYR CA C 36 61.726 61.458 0.268 1
1 371 . 17 1 1 A 36 36 TYR CB C 36 38.579 38.412 0.167 1
1 376 . 17 1 1 A 36 36 TYR N N 36 124.434 123.216 1.218 1
1 377 . 17 1 1 A 37 37 LEU H H 37 7.848 9.051 -1.203 1
1 378 . 17 1 1 A 37 37 LEU HA H 37 3.918 3.894 0.024 1
1 388 . 17 1 1 A 37 37 LEU C C 37 179.334 179.317 0.017 1
1 389 . 17 1 1 A 37 37 LEU CA C 37 56.827 57.956 -1.129 1
1 390 . 17 1 1 A 37 37 LEU CB C 37 42.069 41.744 0.325 1
1 394 . 17 1 1 A 37 37 LEU N N 37 116.192 120.105 -3.913 1
1 395 . 17 1 1 A 38 38 LEU H H 38 7.230 7.369 -0.139 1
1 396 . 17 1 1 A 38 38 LEU HA H 38 4.150 4.382 -0.232 1
1 406 . 17 1 1 A 38 38 LEU C C 38 178.116 176.614 1.502 1
1 407 . 17 1 1 A 38 38 LEU CA C 38 56.915 55.882 1.033 1
1 408 . 17 1 1 A 38 38 LEU CB C 38 42.336 42.820 -0.484 1
1 412 . 17 1 1 A 38 38 LEU N N 38 118.422 113.318 5.104 1
1 413 . 17 1 1 A 39 39 ASP H H 39 7.543 7.827 -0.284 1
1 414 . 17 1 1 A 39 39 ASP HA H 39 4.364 4.966 -0.602 1
1 417 . 17 1 1 A 39 39 ASP C C 39 174.778 175.254 -0.476 1
1 418 . 17 1 1 A 39 39 ASP CA C 39 54.731 53.332 1.399 1
1 419 . 17 1 1 A 39 39 ASP CB C 39 41.134 42.494 -1.360 1
1 420 . 17 1 1 A 39 39 ASP N N 39 117.417 118.454 -1.037 1
1 421 . 17 1 1 A 40 40 SER H H 40 8.240 8.701 -0.461 1
1 422 . 17 1 1 A 40 40 SER HA H 40 3.984 4.644 -0.660 1
1 425 . 17 1 1 A 40 40 SER C C 40 174.169 174.321 -0.152 1
1 426 . 17 1 1 A 40 40 SER CA C 40 58.825 58.552 0.273 1
1 427 . 17 1 1 A 40 40 SER CB C 40 63.964 63.694 0.270 1
1 428 . 17 1 1 A 40 40 SER N N 40 119.077 119.843 -0.766 1
1 429 . 17 1 1 A 41 41 ASN H H 41 8.711 8.077 0.634 1
1 430 . 17 1 1 A 41 41 ASN HA H 41 5.007 5.254 -0.247 1
1 435 . 17 1 1 A 41 41 ASN C C 41 171.078 172.383 -1.305 1
1 436 . 17 1 1 A 41 41 ASN CA C 41 51.291 50.849 0.442 1
1 437 . 17 1 1 A 41 41 ASN CB C 41 39.815 39.501 0.314 1
1 438 . 17 1 1 A 41 41 ASN N N 41 119.546 119.352 0.194 1
1 440 . 17 1 1 A 42 42 PRO HA H 42 4.408 4.656 -0.248 1
1 447 . 17 1 1 A 42 42 PRO C C 42 177.028 175.494 1.534 1
1 448 . 17 1 1 A 42 42 PRO CA C 42 62.678 62.399 0.279 1
1 449 . 17 1 1 A 42 42 PRO CB C 42 31.869 33.087 -1.218 1
1 452 . 17 1 1 A 43 43 THR H H 43 7.797 8.348 -0.551 1
1 453 . 17 1 1 A 43 43 THR HA H 43 4.205 4.968 -0.763 1
1 458 . 17 1 1 A 43 43 THR C C 43 174.729 174.710 0.019 1
1 459 . 17 1 1 A 43 43 THR CA C 43 60.690 59.598 1.092 1
1 460 . 17 1 1 A 43 43 THR CB C 43 71.138 71.458 -0.320 1
1 462 . 17 1 1 A 43 43 THR N N 43 111.399 115.445 -4.046 1
1 463 . 17 1 1 A 44 44 ARG H H 44 8.718 9.078 -0.360 1
1 464 . 17 1 1 A 44 44 ARG HA H 44 3.863 3.944 -0.081 1
1 471 . 17 1 1 A 44 44 ARG C C 44 178.384 178.639 -0.255 1
1 472 . 17 1 1 A 44 44 ARG CA C 44 60.014 60.028 -0.014 1
1 473 . 17 1 1 A 44 44 ARG CB C 44 29.512 29.841 -0.329 1
1 476 . 17 1 1 A 44 44 ARG N N 44 120.640 126.607 -5.967 1
1 477 . 17 1 1 A 45 45 LYS H H 45 8.142 7.970 0.172 1
1 478 . 17 1 1 A 45 45 LYS HA H 45 4.070 4.056 0.014 1
1 487 . 17 1 1 A 45 45 LYS C C 45 179.334 178.988 0.346 1
1 488 . 17 1 1 A 45 45 LYS CA C 45 59.170 59.337 -0.167 1
1 489 . 17 1 1 A 45 45 LYS CB C 45 32.457 32.181 0.276 1
1 493 . 17 1 1 A 45 45 LYS N N 45 117.851 119.694 -1.843 1
1 494 . 17 1 1 A 46 46 MET H H 46 7.560 8.224 -0.664 1
1 495 . 17 1 1 A 46 46 MET HA H 46 4.329 4.210 0.119 1
1 503 . 17 1 1 A 46 46 MET C C 46 178.774 178.586 0.188 1
1 504 . 17 1 1 A 46 46 MET CA C 46 57.799 58.440 -0.641 1
1 505 . 17 1 1 A 46 46 MET CB C 46 32.210 33.148 -0.938 1
1 508 . 17 1 1 A 46 46 MET N N 46 119.433 118.057 1.376 1
1 509 . 17 1 1 A 47 47 LEU H H 47 8.624 8.584 0.040 1
1 510 . 17 1 1 A 47 47 LEU HA H 47 3.758 3.781 -0.023 1
1 520 . 17 1 1 A 47 47 LEU C C 47 178.701 179.253 -0.552 1
1 521 . 17 1 1 A 47 47 LEU CA C 47 58.648 58.036 0.612 1
1 522 . 17 1 1 A 47 47 LEU CB C 47 42.248 41.143 1.105 1
1 526 . 17 1 1 A 47 47 LEU N N 47 120.980 119.445 1.535 1
1 527 . 17 1 1 A 48 48 ASP H H 48 7.891 8.465 -0.574 1
1 528 . 17 1 1 A 48 48 ASP HA H 48 4.275 4.351 -0.076 1
1 531 . 17 1 1 A 48 48 ASP C C 48 178.798 178.368 0.430 1
1 532 . 17 1 1 A 48 48 ASP CA C 48 57.662 57.381 0.281 1
1 533 . 17 1 1 A 48 48 ASP CB C 48 40.347 41.200 -0.853 1
1 534 . 17 1 1 A 48 48 ASP N N 48 119.025 119.703 -0.678 1
1 535 . 17 1 1 A 49 49 HIS H H 49 7.760 7.939 -0.179 1
1 536 . 17 1 1 A 49 49 HIS HA H 49 4.390 4.250 0.140 1
1 540 . 17 1 1 A 49 49 HIS C C 49 178.287 177.380 0.907 1
1 541 . 17 1 1 A 49 49 HIS CA C 49 59.930 60.246 -0.316 1
1 542 . 17 1 1 A 49 49 HIS CB C 49 30.348 30.293 0.055 1
1 544 . 17 1 1 A 49 49 HIS N N 49 120.629 118.923 1.706 1
1 545 . 17 1 1 A 50 50 ILE H H 50 8.934 8.680 0.254 1
1 546 . 17 1 1 A 50 50 ILE HA H 50 3.619 3.614 0.005 1
1 556 . 17 1 1 A 50 50 ILE C C 50 177.410 178.253 -0.843 1
1 557 . 17 1 1 A 50 50 ILE CA C 50 65.779 65.592 0.187 1
1 558 . 17 1 1 A 50 50 ILE CB C 50 38.622 37.740 0.882 1
1 562 . 17 1 1 A 50 50 ILE N N 50 120.913 120.099 0.814 1
1 563 . 17 1 1 A 51 51 ALA H H 51 8.423 8.050 0.373 1
1 564 . 17 1 1 A 51 51 ALA HA H 51 3.859 4.121 -0.262 1
1 568 . 17 1 1 A 51 51 ALA C C 51 179.213 179.794 -0.581 1
1 569 . 17 1 1 A 51 51 ALA CA C 51 56.348 54.617 1.731 1
1 570 . 17 1 1 A 51 51 ALA CB C 51 17.292 18.077 -0.785 1
1 571 . 17 1 1 A 51 51 ALA N N 51 120.695 120.689 0.006 1
1 572 . 17 1 1 A 52 52 HIS H H 52 7.735 7.917 -0.182 1
1 573 . 17 1 1 A 52 52 HIS HA H 52 4.273 4.147 0.126 1
1 577 . 17 1 1 A 52 52 HIS C C 52 177.799 177.235 0.564 1
1 578 . 17 1 1 A 52 52 HIS CA C 52 59.406 59.290 0.116 1
1 579 . 17 1 1 A 52 52 HIS CB C 52 29.842 29.715 0.127 1
1 581 . 17 1 1 A 52 52 HIS N N 52 115.822 117.994 -2.172 1
1 582 . 17 1 1 A 53 53 GLU H H 53 8.299 8.338 -0.039 1
1 583 . 17 1 1 A 53 53 GLU HA H 53 3.842 4.027 -0.185 1
1 588 . 17 1 1 A 53 53 GLU C C 53 178.652 178.388 0.264 1
1 589 . 17 1 1 A 53 53 GLU CA C 53 59.434 59.349 0.085 1
1 590 . 17 1 1 A 53 53 GLU CB C 53 30.204 29.153 1.051 1
1 592 . 17 1 1 A 53 53 GLU N N 53 120.073 117.841 2.232 1
1 593 . 17 1 1 A 54 54 VAL H H 54 8.446 7.831 0.615 1
1 594 . 17 1 1 A 54 54 VAL HA H 54 4.150 4.005 0.145 1
1 602 . 17 1 1 A 54 54 VAL C C 54 175.899 176.995 -1.096 1
1 603 . 17 1 1 A 54 54 VAL CA C 54 62.001 64.515 -2.514 1
1 604 . 17 1 1 A 54 54 VAL CB C 54 33.000 31.770 1.230 1
1 607 . 17 1 1 A 54 54 VAL N N 54 112.194 118.743 -6.549 1
1 608 . 17 1 1 A 55 55 GLY H H 55 7.879 8.253 -0.374 1
1 609 . 17 1 1 A 55 55 GLY HA2 H 55 3.975 3.870 0.105 1
1 610 . 17 1 1 A 55 55 GLY HA3 H 55 3.814 3.902 -0.088 1
1 611 . 17 1 1 A 55 55 GLY C C 55 174.461 174.054 0.407 1
1 612 . 17 1 1 A 55 55 GLY CA C 55 46.551 46.322 0.229 1
1 613 . 17 1 1 A 55 55 GLY N N 55 111.306 109.500 1.806 1
1 614 . 17 1 1 A 56 56 LEU H H 56 7.766 7.458 0.308 1
1 615 . 17 1 1 A 56 56 LEU HA H 56 4.825 4.766 0.059 1
1 625 . 17 1 1 A 56 56 LEU C C 56 175.704 175.668 0.036 1
1 626 . 17 1 1 A 56 56 LEU CA C 56 52.223 53.245 -1.022 1
1 627 . 17 1 1 A 56 56 LEU CB C 56 47.913 45.417 2.496 1
1 631 . 17 1 1 A 56 56 LEU N N 56 119.685 121.270 -1.585 1
1 632 . 17 1 1 A 57 57 LYS H H 57 8.268 8.476 -0.208 1
1 633 . 17 1 1 A 57 57 LYS HA H 57 4.212 4.140 0.072 1
1 642 . 17 1 1 A 57 57 LYS C C 57 178.555 177.662 0.893 1
1 643 . 17 1 1 A 57 57 LYS CA C 57 56.375 57.299 -0.924 1
1 644 . 17 1 1 A 57 57 LYS CB C 57 32.750 32.456 0.294 1
1 648 . 17 1 1 A 57 57 LYS N N 57 118.380 125.256 -6.876 1
1 649 . 17 1 1 A 58 58 LYS H H 58 8.853 8.987 -0.134 1
1 650 . 17 1 1 A 58 58 LYS HA H 58 3.670 3.797 -0.127 1
1 659 . 17 1 1 A 58 58 LYS C C 58 178.652 178.202 0.450 1
1 660 . 17 1 1 A 58 58 LYS CA C 58 61.026 60.503 0.523 1
1 661 . 17 1 1 A 58 58 LYS CB C 58 31.655 32.212 -0.557 1
1 665 . 17 1 1 A 58 58 LYS N N 58 123.883 126.631 -2.748 1
1 666 . 17 1 1 A 59 59 ARG H H 59 8.834 7.715 1.119 1
1 667 . 17 1 1 A 59 59 ARG HA H 59 4.120 4.116 0.004 1
1 674 . 17 1 1 A 59 59 ARG C C 59 177.872 178.922 -1.050 1
1 675 . 17 1 1 A 59 59 ARG CA C 59 58.851 58.852 -0.001 1
1 676 . 17 1 1 A 59 59 ARG CB C 59 29.832 29.794 0.038 1
1 679 . 17 1 1 A 59 59 ARG N N 59 117.315 119.102 -1.787 1
1 680 . 17 1 1 A 60 60 VAL H H 60 6.892 8.161 -1.269 1
1 681 . 17 1 1 A 60 60 VAL HA H 60 3.677 3.799 -0.122 1
1 689 . 17 1 1 A 60 60 VAL C C 60 178.701 178.484 0.217 1
1 690 . 17 1 1 A 60 60 VAL CA C 60 65.741 65.809 -0.068 1
1 691 . 17 1 1 A 60 60 VAL CB C 60 31.520 31.698 -0.178 1
1 694 . 17 1 1 A 60 60 VAL N N 60 117.560 119.589 -2.029 1
1 695 . 17 1 1 A 61 61 VAL H H 61 7.394 8.104 -0.710 1
1 696 . 17 1 1 A 61 61 VAL HA H 61 3.647 3.740 -0.093 1
1 704 . 17 1 1 A 61 61 VAL C C 61 177.385 178.175 -0.790 1
1 705 . 17 1 1 A 61 61 VAL CA C 61 67.232 66.593 0.639 1
1 706 . 17 1 1 A 61 61 VAL CB C 61 32.125 31.492 0.633 1
1 709 . 17 1 1 A 61 61 VAL N N 61 119.625 120.953 -1.328 1
1 710 . 17 1 1 A 62 62 GLN H H 62 8.681 8.474 0.207 1
1 711 . 17 1 1 A 62 62 GLN HA H 62 4.047 3.988 0.059 1
1 718 . 17 1 1 A 62 62 GLN C C 62 178.798 178.405 0.393 1
1 719 . 17 1 1 A 62 62 GLN CA C 62 60.169 58.946 1.223 1
1 720 . 17 1 1 A 62 62 GLN CB C 62 28.935 28.433 0.502 1
1 722 . 17 1 1 A 62 62 GLN N N 62 119.803 120.286 -0.483 1
1 724 . 17 1 1 A 63 63 VAL H H 63 8.279 8.567 -0.288 1
1 725 . 17 1 1 A 63 63 VAL HA H 63 3.703 3.635 0.068 1
1 733 . 17 1 1 A 63 63 VAL C C 63 177.263 178.182 -0.919 1
1 734 . 17 1 1 A 63 63 VAL CA C 63 66.384 66.629 -0.245 1
1 735 . 17 1 1 A 63 63 VAL CB C 63 31.983 31.692 0.291 1
1 738 . 17 1 1 A 63 63 VAL N N 63 120.104 119.408 0.696 1
1 739 . 17 1 1 A 64 64 TRP H H 64 8.376 8.093 0.283 1
1 740 . 17 1 1 A 64 64 TRP HA H 64 4.015 4.202 -0.187 1
1 749 . 17 1 1 A 64 64 TRP C C 64 180.309 178.147 2.162 1
1 750 . 17 1 1 A 64 64 TRP CA C 64 63.421 60.635 2.786 1
1 751 . 17 1 1 A 64 64 TRP CB C 64 28.382 29.898 -1.516 1
1 757 . 17 1 1 A 64 64 TRP N N 64 122.121 121.082 1.039 1
1 759 . 17 1 1 A 65 65 PHE H H 65 9.032 7.899 1.133 1
1 760 . 17 1 1 A 65 65 PHE HA H 65 3.662 4.288 -0.626 1
1 768 . 17 1 1 A 65 65 PHE C C 65 178.214 178.764 -0.550 1
1 769 . 17 1 1 A 65 65 PHE CA C 65 63.919 61.173 2.746 1
1 770 . 17 1 1 A 65 65 PHE CB C 65 39.512 39.456 0.056 1
1 776 . 17 1 1 A 65 65 PHE N N 65 120.975 116.899 4.076 1
1 777 . 17 1 1 A 66 66 GLN H H 66 8.021 7.982 0.039 1
1 778 . 17 1 1 A 66 66 GLN HA H 66 3.957 4.065 -0.108 1
1 785 . 17 1 1 A 66 66 GLN C C 66 179.066 177.830 1.236 1
1 786 . 17 1 1 A 66 66 GLN CA C 66 59.426 58.584 0.842 1
1 787 . 17 1 1 A 66 66 GLN CB C 66 28.536 27.981 0.555 1
1 789 . 17 1 1 A 66 66 GLN N N 66 117.887 117.017 0.870 1
1 791 . 17 1 1 A 67 67 ASN H H 67 8.807 7.829 0.978 1
1 792 . 17 1 1 A 67 67 ASN HA H 67 4.331 4.515 -0.184 1
1 797 . 17 1 1 A 67 67 ASN C C 67 177.775 177.777 -0.002 1
1 798 . 17 1 1 A 67 67 ASN CA C 67 55.461 55.861 -0.400 1
1 799 . 17 1 1 A 67 67 ASN CB C 67 37.718 38.218 -0.500 1
1 800 . 17 1 1 A 67 67 ASN N N 67 119.312 118.313 0.999 1
1 802 . 17 1 1 A 68 68 THR H H 68 8.092 7.335 0.757 1
1 803 . 17 1 1 A 68 68 THR HA H 68 3.262 3.461 -0.199 1
1 808 . 17 1 1 A 68 68 THR C C 68 175.972 176.058 -0.086 1
1 809 . 17 1 1 A 68 68 THR CA C 68 66.903 66.787 0.116 1
1 810 . 17 1 1 A 68 68 THR CB C 68 67.800 67.545 0.255 1
1 812 . 17 1 1 A 68 68 THR N N 68 120.500 116.896 3.604 1
1 813 . 17 1 1 A 69 69 ARG H H 69 8.154 7.999 0.155 1
1 814 . 17 1 1 A 69 69 ARG HA H 69 4.362 4.095 0.267 1
1 821 . 17 1 1 A 69 69 ARG C C 69 179.432 178.525 0.907 1
1 822 . 17 1 1 A 69 69 ARG CA C 69 59.805 59.961 -0.156 1
1 823 . 17 1 1 A 69 69 ARG CB C 69 31.490 30.244 1.246 1
1 826 . 17 1 1 A 69 69 ARG N N 69 121.451 120.159 1.292 1
1 827 . 17 1 1 A 70 70 ALA H H 70 7.686 7.595 0.091 1
1 828 . 17 1 1 A 70 70 ALA HA H 70 4.107 4.077 0.030 1
1 832 . 17 1 1 A 70 70 ALA C C 70 179.724 179.962 -0.238 1
1 833 . 17 1 1 A 70 70 ALA CA C 70 54.512 54.837 -0.325 1
1 834 . 17 1 1 A 70 70 ALA CB C 70 18.187 18.514 -0.327 1
1 835 . 17 1 1 A 70 70 ALA N N 70 119.887 121.848 -1.961 1
1 836 . 17 1 1 A 71 71 ARG H H 71 7.588 7.539 0.049 1
1 837 . 17 1 1 A 71 71 ARG HA H 71 4.073 4.060 0.013 1
1 844 . 17 1 1 A 71 71 ARG C C 71 177.775 178.949 -1.174 1
1 845 . 17 1 1 A 71 71 ARG CA C 71 57.849 59.436 -1.587 1
1 846 . 17 1 1 A 71 71 ARG CB C 71 30.419 29.873 0.546 1
1 849 . 17 1 1 A 71 71 ARG N N 71 117.554 117.278 0.276 1
1 850 . 17 1 1 A 72 72 GLU H H 72 7.776 8.583 -0.807 1
1 851 . 17 1 1 A 72 72 GLU HA H 72 4.129 4.109 0.020 1
1 856 . 17 1 1 A 72 72 GLU C C 72 177.190 179.421 -2.231 1
1 857 . 17 1 1 A 72 72 GLU CA C 72 57.625 58.974 -1.349 1
1 858 . 17 1 1 A 72 72 GLU CB C 72 29.815 29.420 0.395 1
1 860 . 17 1 1 A 72 72 GLU N N 72 119.019 119.777 -0.758 1
1 861 . 17 1 1 A 73 73 ARG H H 73 7.956 8.448 -0.492 1
1 862 . 17 1 1 A 73 73 ARG HA H 73 4.228 4.072 0.156 1
1 869 . 17 1 1 A 73 73 ARG C C 73 176.581 176.674 -0.093 1
1 870 . 17 1 1 A 73 73 ARG CA C 73 56.773 59.127 -2.354 1
1 871 . 17 1 1 A 73 73 ARG CB C 73 30.254 29.881 0.373 1
1 874 . 17 1 1 A 73 73 ARG N N 73 119.948 118.742 1.206 1
1 875 . 17 1 1 A 74 74 LYS H H 74 8.155 7.545 0.610 1
1 876 . 17 1 1 A 74 74 LYS HA H 74 4.329 4.200 0.129 1
1 885 . 17 1 1 A 74 74 LYS C C 74 176.703 176.383 0.320 1
1 886 . 17 1 1 A 74 74 LYS CA C 74 56.458 57.033 -0.575 1
1 887 . 17 1 1 A 74 74 LYS CB C 74 32.825 32.522 0.303 1
1 891 . 17 1 1 A 74 74 LYS N N 74 121.577 120.981 0.596 1
1 892 . 17 1 1 A 75 75 SER H H 75 8.246 8.739 -0.493 1
1 893 . 17 1 1 A 75 75 SER HA H 75 4.474 4.919 -0.445 1
1 896 . 17 1 1 A 75 75 SER C C 75 174.486 174.373 0.113 1
1 897 . 17 1 1 A 75 75 SER CA C 75 58.365 57.666 0.699 1
1 898 . 17 1 1 A 75 75 SER CB C 75 63.967 63.998 -0.031 1
1 899 . 17 1 1 A 75 75 SER N N 75 116.340 120.423 -4.083 1
1 900 . 17 1 1 A 76 76 GLY H H 76 8.205 8.696 -0.491 1
1 901 . 17 1 1 A 76 76 GLY HA2 H 76 4.118 4.370 -0.252 1
1 902 . 17 1 1 A 76 76 GLY HA3 H 76 4.118 4.371 -0.253 1
1 903 . 17 1 1 A 76 76 GLY C C 76 171.758 171.904 -0.146 1
1 904 . 17 1 1 A 76 76 GLY CA C 76 44.661 44.123 0.538 1
1 905 . 17 1 1 A 76 76 GLY N N 76 110.555 113.664 -3.109 1
1 906 . 17 1 1 A 77 77 PRO HA H 77 4.450 4.640 -0.190 1
1 913 . 17 1 1 A 77 77 PRO C C 77 177.458 176.304 1.154 1
1 914 . 17 1 1 A 77 77 PRO CA C 77 63.249 62.650 0.599 1
1 915 . 17 1 1 A 77 77 PRO CB C 77 32.180 33.627 -1.447 1
1 918 . 17 1 1 A 78 78 SER H H 78 8.525 8.781 -0.256 1
1 919 . 17 1 1 A 78 78 SER HA H 78 4.471 4.609 -0.138 1
1 922 . 17 1 1 A 78 78 SER C C 78 174.648 174.164 0.484 1
1 923 . 17 1 1 A 78 78 SER CA C 78 58.460 59.642 -1.182 1
1 924 . 17 1 1 A 78 78 SER CB C 78 63.885 65.175 -1.290 1
1 925 . 17 1 1 A 78 78 SER N N 78 116.381 115.610 0.771 1
1 926 . 17 1 1 A 79 79 SER H H 79 8.309 7.985 0.324 1
1 927 . 17 1 1 A 79 79 SER HA H 79 4.457 4.386 0.071 1
1 930 . 17 1 1 A 79 79 SER C C 79 173.925 175.276 -1.351 1
1 931 . 17 1 1 A 79 79 SER CA C 79 58.401 59.417 -1.016 1
1 932 . 17 1 1 A 79 79 SER CB C 79 64.132 62.419 1.713 1
1 933 . 17 1 1 A 79 79 SER N N 79 117.741 115.977 1.764 1
1 1 . 18 1 1 A 8 8 GLY HA2 H 8 4.031 4.230 -0.199 1
1 2 . 18 1 1 A 8 8 GLY HA3 H 8 4.031 4.231 -0.200 1
1 3 . 18 1 1 A 8 8 GLY C C 8 174.729 174.828 -0.099 1
1 4 . 18 1 1 A 8 8 GLY CA C 8 45.278 44.670 0.608 1
1 5 . 18 1 1 A 9 9 THR H H 9 8.248 8.766 -0.518 1
1 6 . 18 1 1 A 9 9 THR HA H 9 4.376 4.104 0.272 1
1 11 . 18 1 1 A 9 9 THR C C 9 175.485 174.709 0.776 1
1 12 . 18 1 1 A 9 9 THR CA C 9 61.837 65.550 -3.713 1
1 13 . 18 1 1 A 9 9 THR CB C 9 69.737 69.162 0.575 1
1 15 . 18 1 1 A 9 9 THR N N 9 112.908 115.060 -2.152 1
1 16 . 18 1 1 A 10 10 GLY H H 10 8.581 7.539 1.042 1
1 17 . 18 1 1 A 10 10 GLY HA2 H 10 3.985 4.167 -0.182 1
1 18 . 18 1 1 A 10 10 GLY HA3 H 10 3.985 4.171 -0.186 1
1 19 . 18 1 1 A 10 10 GLY C C 10 174.705 172.374 2.331 1
1 20 . 18 1 1 A 10 10 GLY CA C 10 45.455 46.050 -0.595 1
1 21 . 18 1 1 A 10 10 GLY N N 10 111.487 106.103 5.384 1
1 22 . 18 1 1 A 11 11 GLY H H 11 8.286 8.022 0.264 1
1 23 . 18 1 1 A 11 11 GLY HA2 H 11 3.958 4.223 -0.265 1
1 24 . 18 1 1 A 11 11 GLY HA3 H 11 3.958 4.224 -0.266 1
1 25 . 18 1 1 A 11 11 GLY C C 11 174.071 172.247 1.824 1
1 26 . 18 1 1 A 11 11 GLY CA C 11 45.101 45.643 -0.542 1
1 27 . 18 1 1 A 11 11 GLY N N 11 108.887 108.207 0.680 1
1 28 . 18 1 1 A 12 12 GLU H H 12 8.333 8.929 -0.596 1
1 29 . 18 1 1 A 12 12 GLU HA H 12 4.271 4.925 -0.654 1
1 34 . 18 1 1 A 12 12 GLU C C 12 176.435 175.223 1.212 1
1 35 . 18 1 1 A 12 12 GLU CA C 12 56.278 55.399 0.879 1
1 36 . 18 1 1 A 12 12 GLU CB C 12 30.358 30.872 -0.514 1
1 38 . 18 1 1 A 12 12 GLU N N 12 120.407 125.161 -4.754 1
1 39 . 18 1 1 A 13 13 GLU H H 13 8.546 9.019 -0.473 1
1 40 . 18 1 1 A 13 13 GLU HA H 13 4.521 4.969 -0.448 1
1 45 . 18 1 1 A 13 13 GLU C C 13 174.648 173.728 0.920 1
1 46 . 18 1 1 A 13 13 GLU CA C 13 54.687 54.001 0.686 1
1 47 . 18 1 1 A 13 13 GLU CB C 13 29.688 32.957 -3.269 1
1 49 . 18 1 1 A 13 13 GLU N N 13 123.832 121.330 2.502 1
1 50 . 18 1 1 A 14 14 PRO HA H 14 4.375 4.726 -0.351 1
1 57 . 18 1 1 A 14 14 PRO C C 14 177.117 176.217 0.900 1
1 58 . 18 1 1 A 14 14 PRO CA C 14 63.379 62.573 0.806 1
1 59 . 18 1 1 A 14 14 PRO CB C 14 32.003 33.370 -1.367 1
1 62 . 18 1 1 A 15 15 GLN H H 15 8.543 8.374 0.169 1
1 63 . 18 1 1 A 15 15 GLN HA H 15 4.230 4.397 -0.167 1
1 70 . 18 1 1 A 15 15 GLN C C 15 176.459 176.792 -0.333 1
1 71 . 18 1 1 A 15 15 GLN CA C 15 56.171 55.160 1.011 1
1 72 . 18 1 1 A 15 15 GLN CB C 15 28.935 28.050 0.885 1
1 74 . 18 1 1 A 15 15 GLN N N 15 120.153 120.253 -0.100 1
1 76 . 18 1 1 A 16 16 ARG H H 16 8.337 7.834 0.503 1
1 77 . 18 1 1 A 16 16 ARG HA H 16 4.219 3.901 0.318 1
1 84 . 18 1 1 A 16 16 ARG C C 16 176.216 175.788 0.428 1
1 85 . 18 1 1 A 16 16 ARG CA C 16 56.809 59.287 -2.478 1
1 86 . 18 1 1 A 16 16 ARG CB C 16 30.666 30.021 0.645 1
1 89 . 18 1 1 A 16 16 ARG N N 16 122.090 120.222 1.868 1
1 90 . 18 1 1 A 17 17 ASP H H 17 8.313 8.107 0.206 1
1 91 . 18 1 1 A 17 17 ASP HA H 17 4.523 4.476 0.047 1
1 94 . 18 1 1 A 17 17 ASP C C 17 176.727 175.763 0.964 1
1 95 . 18 1 1 A 17 17 ASP CA C 17 54.591 55.068 -0.477 1
1 96 . 18 1 1 A 17 17 ASP CB C 17 41.097 40.726 0.371 1
1 97 . 18 1 1 A 17 17 ASP N N 17 120.664 115.725 4.939 1
1 98 . 18 1 1 A 18 18 LYS H H 18 8.276 8.568 -0.292 1
1 99 . 18 1 1 A 18 18 LYS HA H 18 4.175 4.349 -0.174 1
1 108 . 18 1 1 A 18 18 LYS C C 18 176.971 176.791 0.180 1
1 109 . 18 1 1 A 18 18 LYS CA C 18 56.971 57.773 -0.802 1
1 110 . 18 1 1 A 18 18 LYS CB C 18 32.562 32.928 -0.366 1
1 114 . 18 1 1 A 18 18 LYS N N 18 122.504 124.127 -1.623 1
1 115 . 18 1 1 A 19 19 ARG H H 19 8.240 7.690 0.550 1
1 116 . 18 1 1 A 19 19 ARG HA H 19 4.205 4.208 -0.003 1
1 123 . 18 1 1 A 19 19 ARG C C 19 176.532 175.586 0.946 1
1 124 . 18 1 1 A 19 19 ARG CA C 19 56.632 56.571 0.061 1
1 125 . 18 1 1 A 19 19 ARG CB C 19 30.647 31.049 -0.402 1
1 128 . 18 1 1 A 19 19 ARG N N 19 120.296 119.457 0.839 1
1 129 . 18 1 1 A 20 20 LEU H H 20 8.068 8.483 -0.415 1
1 130 . 18 1 1 A 20 20 LEU HA H 20 4.262 5.037 -0.775 1
1 140 . 18 1 1 A 20 20 LEU C C 20 177.288 175.754 1.534 1
1 141 . 18 1 1 A 20 20 LEU CA C 20 55.110 53.341 1.769 1
1 142 . 18 1 1 A 20 20 LEU CB C 20 42.081 46.782 -4.701 1
1 146 . 18 1 1 A 20 20 LEU N N 20 121.867 126.531 -4.664 1
1 147 . 18 1 1 A 21 21 ARG H H 21 8.226 8.584 -0.358 1
1 148 . 18 1 1 A 21 21 ARG HA H 21 4.413 4.893 -0.480 1
1 155 . 18 1 1 A 21 21 ARG C C 21 176.313 176.525 -0.212 1
1 156 . 18 1 1 A 21 21 ARG CA C 21 56.194 54.566 1.628 1
1 157 . 18 1 1 A 21 21 ARG CB C 21 30.996 32.415 -1.419 1
1 160 . 18 1 1 A 21 21 ARG N N 21 121.612 120.824 0.788 1
1 161 . 18 1 1 A 22 22 THR H H 22 8.215 8.803 -0.588 1
1 162 . 18 1 1 A 22 22 THR HA H 22 4.405 3.988 0.417 1
1 167 . 18 1 1 A 22 22 THR C C 22 174.169 175.202 -1.033 1
1 168 . 18 1 1 A 22 22 THR CA C 22 61.963 65.977 -4.014 1
1 169 . 18 1 1 A 22 22 THR CB C 22 69.779 68.499 1.280 1
1 171 . 18 1 1 A 22 22 THR N N 22 114.661 117.344 -2.683 1
1 172 . 18 1 1 A 23 23 THR H H 23 8.087 7.502 0.585 1
1 173 . 18 1 1 A 23 23 THR HA H 23 4.308 4.359 -0.051 1
1 178 . 18 1 1 A 23 23 THR C C 23 173.413 173.805 -0.392 1
1 179 . 18 1 1 A 23 23 THR CA C 23 62.158 61.915 0.243 1
1 180 . 18 1 1 A 23 23 THR CB C 23 69.916 70.363 -0.447 1
1 182 . 18 1 1 A 23 23 THR N N 23 118.008 115.247 2.761 1
1 183 . 18 1 1 A 24 24 ILE H H 24 8.110 8.519 -0.409 1
1 184 . 18 1 1 A 24 24 ILE HA H 24 4.200 4.997 -0.797 1
1 194 . 18 1 1 A 24 24 ILE C C 24 176.654 175.702 0.952 1
1 195 . 18 1 1 A 24 24 ILE CA C 24 61.690 59.829 1.861 1
1 196 . 18 1 1 A 24 24 ILE CB C 24 39.487 41.649 -2.162 1
1 200 . 18 1 1 A 24 24 ILE N N 24 124.852 120.608 4.244 1
1 201 . 18 1 1 A 25 25 THR H H 25 9.023 8.450 0.573 1
1 202 . 18 1 1 A 25 25 THR HA H 25 4.564 4.986 -0.422 1
1 207 . 18 1 1 A 25 25 THR C C 25 173.433 174.336 -0.903 1
1 208 . 18 1 1 A 25 25 THR CA C 25 60.759 58.590 2.169 1
1 209 . 18 1 1 A 25 25 THR CB C 25 68.089 69.813 -1.724 1
1 211 . 18 1 1 A 25 25 THR N N 25 120.568 115.764 4.804 1
1 212 . 18 1 1 A 26 26 PRO HA H 26 4.172 4.578 -0.406 1
1 219 . 18 1 1 A 26 26 PRO C C 26 179.237 177.358 1.879 1
1 220 . 18 1 1 A 26 26 PRO CA C 26 65.917 64.454 1.463 1
1 221 . 18 1 1 A 26 26 PRO CB C 26 31.725 31.714 0.011 1
1 224 . 18 1 1 A 27 27 GLU H H 27 8.722 8.482 0.240 1
1 225 . 18 1 1 A 27 27 GLU HA H 27 4.006 4.257 -0.251 1
1 230 . 18 1 1 A 27 27 GLU C C 27 179.749 178.227 1.522 1
1 231 . 18 1 1 A 27 27 GLU CA C 27 60.353 57.634 2.719 1
1 232 . 18 1 1 A 27 27 GLU CB C 27 28.851 30.000 -1.149 1
1 234 . 18 1 1 A 27 27 GLU N N 27 117.087 117.537 -0.450 1
1 235 . 18 1 1 A 28 28 GLN H H 28 7.666 7.975 -0.309 1
1 236 . 18 1 1 A 28 28 GLN HA H 28 3.767 4.102 -0.335 1
1 243 . 18 1 1 A 28 28 GLN C C 28 177.872 178.118 -0.246 1
1 244 . 18 1 1 A 28 28 GLN CA C 28 58.821 58.313 0.508 1
1 245 . 18 1 1 A 28 28 GLN CB C 28 29.401 28.657 0.744 1
1 247 . 18 1 1 A 28 28 GLN N N 28 119.298 119.560 -0.262 1
1 249 . 18 1 1 A 29 29 LEU H H 29 8.453 8.045 0.408 1
1 250 . 18 1 1 A 29 29 LEU HA H 29 3.484 3.609 -0.125 1
1 260 . 18 1 1 A 29 29 LEU C C 29 178.092 178.696 -0.604 1
1 261 . 18 1 1 A 29 29 LEU CA C 29 57.737 57.621 0.116 1
1 262 . 18 1 1 A 29 29 LEU CB C 29 41.578 41.628 -0.050 1
1 266 . 18 1 1 A 29 29 LEU N N 29 120.145 120.534 -0.389 1
1 267 . 18 1 1 A 30 30 GLU H H 30 7.607 8.345 -0.738 1
1 268 . 18 1 1 A 30 30 GLU HA H 30 4.069 4.102 -0.033 1
1 273 . 18 1 1 A 30 30 GLU C C 30 179.140 179.316 -0.176 1
1 274 . 18 1 1 A 30 30 GLU CA C 30 59.334 59.694 -0.360 1
1 275 . 18 1 1 A 30 30 GLU CB C 30 29.512 29.509 0.003 1
1 277 . 18 1 1 A 30 30 GLU N N 30 116.903 116.540 0.363 1
1 278 . 18 1 1 A 31 31 ILE H H 31 7.070 8.108 -1.038 1
1 279 . 18 1 1 A 31 31 ILE HA H 31 3.692 3.682 0.010 1
1 289 . 18 1 1 A 31 31 ILE C C 31 178.287 178.639 -0.352 1
1 290 . 18 1 1 A 31 31 ILE CA C 31 64.416 65.850 -1.434 1
1 291 . 18 1 1 A 31 31 ILE CB C 31 37.777 37.955 -0.178 1
1 295 . 18 1 1 A 31 31 ILE N N 31 118.947 121.030 -2.083 1
1 296 . 18 1 1 A 32 32 LEU H H 32 8.126 8.077 0.049 1
1 297 . 18 1 1 A 32 32 LEU HA H 32 3.418 3.749 -0.331 1
1 307 . 18 1 1 A 32 32 LEU C C 32 178.311 178.707 -0.396 1
1 308 . 18 1 1 A 32 32 LEU CA C 32 58.497 57.812 0.685 1
1 309 . 18 1 1 A 32 32 LEU CB C 32 38.146 41.034 -2.888 1
1 313 . 18 1 1 A 32 32 LEU N N 32 120.437 118.855 1.582 1
1 314 . 18 1 1 A 33 33 TYR H H 33 8.312 8.401 -0.089 1
1 315 . 18 1 1 A 33 33 TYR HA H 33 4.358 4.504 -0.146 1
1 322 . 18 1 1 A 33 33 TYR C C 33 178.214 178.607 -0.393 1
1 323 . 18 1 1 A 33 33 TYR CA C 33 62.645 60.968 1.677 1
1 324 . 18 1 1 A 33 33 TYR CB C 33 37.807 37.920 -0.113 1
1 329 . 18 1 1 A 33 33 TYR N N 33 117.248 118.075 -0.827 1
1 330 . 18 1 1 A 34 34 GLN H H 34 7.750 8.777 -1.027 1
1 331 . 18 1 1 A 34 34 GLN HA H 34 3.967 3.939 0.028 1
1 338 . 18 1 1 A 34 34 GLN C C 34 180.065 179.179 0.886 1
1 339 . 18 1 1 A 34 34 GLN CA C 34 59.143 59.371 -0.228 1
1 340 . 18 1 1 A 34 34 GLN CB C 34 27.781 28.531 -0.750 1
1 342 . 18 1 1 A 34 34 GLN N N 34 117.509 117.955 -0.446 1
1 344 . 18 1 1 A 35 35 LYS H H 35 8.381 8.006 0.375 1
1 345 . 18 1 1 A 35 35 LYS HA H 35 4.132 4.189 -0.057 1
1 354 . 18 1 1 A 35 35 LYS C C 35 179.456 178.582 0.874 1
1 355 . 18 1 1 A 35 35 LYS CA C 35 57.839 58.679 -0.840 1
1 356 . 18 1 1 A 35 35 LYS CB C 35 31.487 32.705 -1.218 1
1 360 . 18 1 1 A 35 35 LYS N N 35 117.671 120.481 -2.810 1
1 361 . 18 1 1 A 36 36 TYR H H 36 9.036 8.268 0.768 1
1 362 . 18 1 1 A 36 36 TYR HA H 36 4.164 4.751 -0.587 1
1 369 . 18 1 1 A 36 36 TYR C C 36 176.630 177.470 -0.840 1
1 370 . 18 1 1 A 36 36 TYR CA C 36 61.726 61.413 0.313 1
1 371 . 18 1 1 A 36 36 TYR CB C 36 38.579 38.525 0.054 1
1 376 . 18 1 1 A 36 36 TYR N N 36 124.434 122.926 1.508 1
1 377 . 18 1 1 A 37 37 LEU H H 37 7.848 9.020 -1.172 1
1 378 . 18 1 1 A 37 37 LEU HA H 37 3.918 3.983 -0.065 1
1 388 . 18 1 1 A 37 37 LEU C C 37 179.334 179.473 -0.139 1
1 389 . 18 1 1 A 37 37 LEU CA C 37 56.827 58.163 -1.336 1
1 390 . 18 1 1 A 37 37 LEU CB C 37 42.069 41.759 0.310 1
1 394 . 18 1 1 A 37 37 LEU N N 37 116.192 120.232 -4.040 1
1 395 . 18 1 1 A 38 38 LEU H H 38 7.230 7.277 -0.047 1
1 396 . 18 1 1 A 38 38 LEU HA H 38 4.150 4.289 -0.139 1
1 406 . 18 1 1 A 38 38 LEU C C 38 178.116 176.267 1.849 1
1 407 . 18 1 1 A 38 38 LEU CA C 38 56.915 56.595 0.320 1
1 408 . 18 1 1 A 38 38 LEU CB C 38 42.336 42.596 -0.260 1
1 412 . 18 1 1 A 38 38 LEU N N 38 118.422 113.230 5.192 1
1 413 . 18 1 1 A 39 39 ASP H H 39 7.543 8.180 -0.637 1
1 414 . 18 1 1 A 39 39 ASP HA H 39 4.364 4.895 -0.531 1
1 417 . 18 1 1 A 39 39 ASP C C 39 174.778 175.793 -1.015 1
1 418 . 18 1 1 A 39 39 ASP CA C 39 54.731 53.352 1.379 1
1 419 . 18 1 1 A 39 39 ASP CB C 39 41.134 42.519 -1.385 1
1 420 . 18 1 1 A 39 39 ASP N N 39 117.417 119.361 -1.944 1
1 421 . 18 1 1 A 40 40 SER H H 40 8.240 8.667 -0.427 1
1 422 . 18 1 1 A 40 40 SER HA H 40 3.984 4.611 -0.627 1
1 425 . 18 1 1 A 40 40 SER C C 40 174.169 174.276 -0.107 1
1 426 . 18 1 1 A 40 40 SER CA C 40 58.825 58.251 0.574 1
1 427 . 18 1 1 A 40 40 SER CB C 40 63.964 63.352 0.612 1
1 428 . 18 1 1 A 40 40 SER N N 40 119.077 121.770 -2.693 1
1 429 . 18 1 1 A 41 41 ASN H H 41 8.711 8.097 0.614 1
1 430 . 18 1 1 A 41 41 ASN HA H 41 5.007 5.259 -0.252 1
1 435 . 18 1 1 A 41 41 ASN C C 41 171.078 172.365 -1.287 1
1 436 . 18 1 1 A 41 41 ASN CA C 41 51.291 50.849 0.442 1
1 437 . 18 1 1 A 41 41 ASN CB C 41 39.815 39.529 0.286 1
1 438 . 18 1 1 A 41 41 ASN N N 41 119.546 119.584 -0.038 1
1 440 . 18 1 1 A 42 42 PRO HA H 42 4.408 4.660 -0.252 1
1 447 . 18 1 1 A 42 42 PRO C C 42 177.028 175.340 1.688 1
1 448 . 18 1 1 A 42 42 PRO CA C 42 62.678 62.379 0.299 1
1 449 . 18 1 1 A 42 42 PRO CB C 42 31.869 33.020 -1.151 1
1 452 . 18 1 1 A 43 43 THR H H 43 7.797 8.355 -0.558 1
1 453 . 18 1 1 A 43 43 THR HA H 43 4.205 5.029 -0.824 1
1 458 . 18 1 1 A 43 43 THR C C 43 174.729 174.505 0.224 1
1 459 . 18 1 1 A 43 43 THR CA C 43 60.690 59.656 1.034 1
1 460 . 18 1 1 A 43 43 THR CB C 43 71.138 71.457 -0.319 1
1 462 . 18 1 1 A 43 43 THR N N 43 111.399 115.111 -3.712 1
1 463 . 18 1 1 A 44 44 ARG H H 44 8.718 9.065 -0.347 1
1 464 . 18 1 1 A 44 44 ARG HA H 44 3.863 3.930 -0.067 1
1 471 . 18 1 1 A 44 44 ARG C C 44 178.384 178.548 -0.164 1
1 472 . 18 1 1 A 44 44 ARG CA C 44 60.014 59.990 0.024 1
1 473 . 18 1 1 A 44 44 ARG CB C 44 29.512 29.849 -0.337 1
1 476 . 18 1 1 A 44 44 ARG N N 44 120.640 126.403 -5.763 1
1 477 . 18 1 1 A 45 45 LYS H H 45 8.142 7.959 0.183 1
1 478 . 18 1 1 A 45 45 LYS HA H 45 4.070 4.053 0.017 1
1 487 . 18 1 1 A 45 45 LYS C C 45 179.334 178.993 0.341 1
1 488 . 18 1 1 A 45 45 LYS CA C 45 59.170 59.353 -0.183 1
1 489 . 18 1 1 A 45 45 LYS CB C 45 32.457 32.133 0.324 1
1 493 . 18 1 1 A 45 45 LYS N N 45 117.851 119.791 -1.940 1
1 494 . 18 1 1 A 46 46 MET H H 46 7.560 8.294 -0.734 1
1 495 . 18 1 1 A 46 46 MET HA H 46 4.329 4.193 0.136 1
1 503 . 18 1 1 A 46 46 MET C C 46 178.774 178.706 0.068 1
1 504 . 18 1 1 A 46 46 MET CA C 46 57.799 58.502 -0.703 1
1 505 . 18 1 1 A 46 46 MET CB C 46 32.210 32.890 -0.680 1
1 508 . 18 1 1 A 46 46 MET N N 46 119.433 118.160 1.273 1
1 509 . 18 1 1 A 47 47 LEU H H 47 8.624 8.311 0.313 1
1 510 . 18 1 1 A 47 47 LEU HA H 47 3.758 3.783 -0.025 1
1 520 . 18 1 1 A 47 47 LEU C C 47 178.701 179.138 -0.437 1
1 521 . 18 1 1 A 47 47 LEU CA C 47 58.648 57.800 0.848 1
1 522 . 18 1 1 A 47 47 LEU CB C 47 42.248 41.552 0.696 1
1 526 . 18 1 1 A 47 47 LEU N N 47 120.980 119.605 1.375 1
1 527 . 18 1 1 A 48 48 ASP H H 48 7.891 7.945 -0.054 1
1 528 . 18 1 1 A 48 48 ASP HA H 48 4.275 4.335 -0.060 1
1 531 . 18 1 1 A 48 48 ASP C C 48 178.798 178.512 0.286 1
1 532 . 18 1 1 A 48 48 ASP CA C 48 57.662 57.298 0.364 1
1 533 . 18 1 1 A 48 48 ASP CB C 48 40.347 41.119 -0.772 1
1 534 . 18 1 1 A 48 48 ASP N N 48 119.025 120.085 -1.060 1
1 535 . 18 1 1 A 49 49 HIS H H 49 7.760 7.807 -0.047 1
1 536 . 18 1 1 A 49 49 HIS HA H 49 4.390 4.291 0.099 1
1 540 . 18 1 1 A 49 49 HIS C C 49 178.287 177.444 0.843 1
1 541 . 18 1 1 A 49 49 HIS CA C 49 59.930 60.231 -0.301 1
1 542 . 18 1 1 A 49 49 HIS CB C 49 30.348 30.240 0.108 1
1 544 . 18 1 1 A 49 49 HIS N N 49 120.629 119.195 1.434 1
1 545 . 18 1 1 A 50 50 ILE H H 50 8.934 8.521 0.413 1
1 546 . 18 1 1 A 50 50 ILE HA H 50 3.619 3.642 -0.023 1
1 556 . 18 1 1 A 50 50 ILE C C 50 177.410 178.253 -0.843 1
1 557 . 18 1 1 A 50 50 ILE CA C 50 65.779 65.502 0.277 1
1 558 . 18 1 1 A 50 50 ILE CB C 50 38.622 37.721 0.901 1
1 562 . 18 1 1 A 50 50 ILE N N 50 120.913 120.092 0.821 1
1 563 . 18 1 1 A 51 51 ALA H H 51 8.423 7.802 0.621 1
1 564 . 18 1 1 A 51 51 ALA HA H 51 3.859 4.110 -0.251 1
1 568 . 18 1 1 A 51 51 ALA C C 51 179.213 179.840 -0.627 1
1 569 . 18 1 1 A 51 51 ALA CA C 51 56.348 54.577 1.771 1
1 570 . 18 1 1 A 51 51 ALA CB C 51 17.292 18.106 -0.814 1
1 571 . 18 1 1 A 51 51 ALA N N 51 120.695 120.723 -0.028 1
1 572 . 18 1 1 A 52 52 HIS H H 52 7.735 7.813 -0.078 1
1 573 . 18 1 1 A 52 52 HIS HA H 52 4.273 4.152 0.121 1
1 577 . 18 1 1 A 52 52 HIS C C 52 177.799 177.256 0.543 1
1 578 . 18 1 1 A 52 52 HIS CA C 52 59.406 59.730 -0.324 1
1 579 . 18 1 1 A 52 52 HIS CB C 52 29.842 29.536 0.306 1
1 581 . 18 1 1 A 52 52 HIS N N 52 115.822 118.164 -2.342 1
1 582 . 18 1 1 A 53 53 GLU H H 53 8.299 8.227 0.072 1
1 583 . 18 1 1 A 53 53 GLU HA H 53 3.842 4.021 -0.179 1
1 588 . 18 1 1 A 53 53 GLU C C 53 178.652 178.369 0.283 1
1 589 . 18 1 1 A 53 53 GLU CA C 53 59.434 59.384 0.050 1
1 590 . 18 1 1 A 53 53 GLU CB C 53 30.204 29.129 1.075 1
1 592 . 18 1 1 A 53 53 GLU N N 53 120.073 117.716 2.357 1
1 593 . 18 1 1 A 54 54 VAL H H 54 8.446 7.818 0.628 1
1 594 . 18 1 1 A 54 54 VAL HA H 54 4.150 3.952 0.198 1
1 602 . 18 1 1 A 54 54 VAL C C 54 175.899 177.122 -1.223 1
1 603 . 18 1 1 A 54 54 VAL CA C 54 62.001 64.912 -2.911 1
1 604 . 18 1 1 A 54 54 VAL CB C 54 33.000 31.569 1.431 1
1 607 . 18 1 1 A 54 54 VAL N N 54 112.194 118.785 -6.591 1
1 608 . 18 1 1 A 55 55 GLY H H 55 7.879 8.256 -0.377 1
1 609 . 18 1 1 A 55 55 GLY HA2 H 55 3.975 3.881 0.094 1
1 610 . 18 1 1 A 55 55 GLY HA3 H 55 3.814 3.913 -0.099 1
1 611 . 18 1 1 A 55 55 GLY C C 55 174.461 174.069 0.392 1
1 612 . 18 1 1 A 55 55 GLY CA C 55 46.551 46.461 0.090 1
1 613 . 18 1 1 A 55 55 GLY N N 55 111.306 109.585 1.721 1
1 614 . 18 1 1 A 56 56 LEU H H 56 7.766 7.383 0.383 1
1 615 . 18 1 1 A 56 56 LEU HA H 56 4.825 4.796 0.029 1
1 625 . 18 1 1 A 56 56 LEU C C 56 175.704 175.654 0.050 1
1 626 . 18 1 1 A 56 56 LEU CA C 56 52.223 53.397 -1.174 1
1 627 . 18 1 1 A 56 56 LEU CB C 56 47.913 45.667 2.246 1
1 631 . 18 1 1 A 56 56 LEU N N 56 119.685 121.029 -1.344 1
1 632 . 18 1 1 A 57 57 LYS H H 57 8.268 8.462 -0.194 1
1 633 . 18 1 1 A 57 57 LYS HA H 57 4.212 4.138 0.074 1
1 642 . 18 1 1 A 57 57 LYS C C 57 178.555 177.652 0.903 1
1 643 . 18 1 1 A 57 57 LYS CA C 57 56.375 57.245 -0.870 1
1 644 . 18 1 1 A 57 57 LYS CB C 57 32.750 32.456 0.294 1
1 648 . 18 1 1 A 57 57 LYS N N 57 118.380 125.077 -6.697 1
1 649 . 18 1 1 A 58 58 LYS H H 58 8.853 8.970 -0.117 1
1 650 . 18 1 1 A 58 58 LYS HA H 58 3.670 3.815 -0.145 1
1 659 . 18 1 1 A 58 58 LYS C C 58 178.652 178.249 0.403 1
1 660 . 18 1 1 A 58 58 LYS CA C 58 61.026 60.555 0.471 1
1 661 . 18 1 1 A 58 58 LYS CB C 58 31.655 32.150 -0.495 1
1 665 . 18 1 1 A 58 58 LYS N N 58 123.883 127.242 -3.359 1
1 666 . 18 1 1 A 59 59 ARG H H 59 8.834 7.760 1.074 1
1 667 . 18 1 1 A 59 59 ARG HA H 59 4.120 4.117 0.003 1
1 674 . 18 1 1 A 59 59 ARG C C 59 177.872 178.800 -0.928 1
1 675 . 18 1 1 A 59 59 ARG CA C 59 58.851 58.813 0.038 1
1 676 . 18 1 1 A 59 59 ARG CB C 59 29.832 29.783 0.049 1
1 679 . 18 1 1 A 59 59 ARG N N 59 117.315 119.045 -1.730 1
1 680 . 18 1 1 A 60 60 VAL H H 60 6.892 8.090 -1.198 1
1 681 . 18 1 1 A 60 60 VAL HA H 60 3.677 3.746 -0.069 1
1 689 . 18 1 1 A 60 60 VAL C C 60 178.701 178.550 0.151 1
1 690 . 18 1 1 A 60 60 VAL CA C 60 65.741 66.259 -0.518 1
1 691 . 18 1 1 A 60 60 VAL CB C 60 31.520 31.486 0.034 1
1 694 . 18 1 1 A 60 60 VAL N N 60 117.560 119.738 -2.178 1
1 695 . 18 1 1 A 61 61 VAL H H 61 7.394 8.059 -0.665 1
1 696 . 18 1 1 A 61 61 VAL HA H 61 3.647 3.693 -0.046 1
1 704 . 18 1 1 A 61 61 VAL C C 61 177.385 178.188 -0.803 1
1 705 . 18 1 1 A 61 61 VAL CA C 61 67.232 66.722 0.510 1
1 706 . 18 1 1 A 61 61 VAL CB C 61 32.125 31.547 0.578 1
1 709 . 18 1 1 A 61 61 VAL N N 61 119.625 120.877 -1.252 1
1 710 . 18 1 1 A 62 62 GLN H H 62 8.681 8.460 0.221 1
1 711 . 18 1 1 A 62 62 GLN HA H 62 4.047 4.018 0.029 1
1 718 . 18 1 1 A 62 62 GLN C C 62 178.798 178.688 0.110 1
1 719 . 18 1 1 A 62 62 GLN CA C 62 60.169 59.022 1.147 1
1 720 . 18 1 1 A 62 62 GLN CB C 62 28.935 28.643 0.292 1
1 722 . 18 1 1 A 62 62 GLN N N 62 119.803 120.204 -0.401 1
1 724 . 18 1 1 A 63 63 VAL H H 63 8.279 8.540 -0.261 1
1 725 . 18 1 1 A 63 63 VAL HA H 63 3.703 3.628 0.075 1
1 733 . 18 1 1 A 63 63 VAL C C 63 177.263 178.174 -0.911 1
1 734 . 18 1 1 A 63 63 VAL CA C 63 66.384 66.563 -0.179 1
1 735 . 18 1 1 A 63 63 VAL CB C 63 31.983 31.764 0.219 1
1 738 . 18 1 1 A 63 63 VAL N N 63 120.104 119.386 0.718 1
1 739 . 18 1 1 A 64 64 TRP H H 64 8.376 8.331 0.045 1
1 740 . 18 1 1 A 64 64 TRP HA H 64 4.015 4.245 -0.230 1
1 749 . 18 1 1 A 64 64 TRP C C 64 180.309 178.265 2.044 1
1 750 . 18 1 1 A 64 64 TRP CA C 64 63.421 60.696 2.725 1
1 751 . 18 1 1 A 64 64 TRP CB C 64 28.382 29.971 -1.589 1
1 757 . 18 1 1 A 64 64 TRP N N 64 122.121 121.120 1.001 1
1 759 . 18 1 1 A 65 65 PHE H H 65 9.032 8.275 0.757 1
1 760 . 18 1 1 A 65 65 PHE HA H 65 3.662 4.408 -0.746 1
1 768 . 18 1 1 A 65 65 PHE C C 65 178.214 178.811 -0.597 1
1 769 . 18 1 1 A 65 65 PHE CA C 65 63.919 61.384 2.535 1
1 770 . 18 1 1 A 65 65 PHE CB C 65 39.512 39.391 0.121 1
1 776 . 18 1 1 A 65 65 PHE N N 65 120.975 117.381 3.594 1
1 777 . 18 1 1 A 66 66 GLN H H 66 8.021 8.318 -0.297 1
1 778 . 18 1 1 A 66 66 GLN HA H 66 3.957 4.077 -0.120 1
1 785 . 18 1 1 A 66 66 GLN C C 66 179.066 177.823 1.243 1
1 786 . 18 1 1 A 66 66 GLN CA C 66 59.426 58.658 0.768 1
1 787 . 18 1 1 A 66 66 GLN CB C 66 28.536 28.116 0.420 1
1 789 . 18 1 1 A 66 66 GLN N N 66 117.887 117.042 0.845 1
1 791 . 18 1 1 A 67 67 ASN H H 67 8.807 7.962 0.845 1
1 792 . 18 1 1 A 67 67 ASN HA H 67 4.331 4.519 -0.188 1
1 797 . 18 1 1 A 67 67 ASN C C 67 177.775 177.751 0.024 1
1 798 . 18 1 1 A 67 67 ASN CA C 67 55.461 56.032 -0.571 1
1 799 . 18 1 1 A 67 67 ASN CB C 67 37.718 38.052 -0.334 1
1 800 . 18 1 1 A 67 67 ASN N N 67 119.312 118.457 0.855 1
1 802 . 18 1 1 A 68 68 THR H H 68 8.092 7.365 0.727 1
1 803 . 18 1 1 A 68 68 THR HA H 68 3.262 3.456 -0.194 1
1 808 . 18 1 1 A 68 68 THR C C 68 175.972 176.183 -0.211 1
1 809 . 18 1 1 A 68 68 THR CA C 68 66.903 66.831 0.072 1
1 810 . 18 1 1 A 68 68 THR CB C 68 67.800 67.540 0.260 1
1 812 . 18 1 1 A 68 68 THR N N 68 120.500 116.868 3.632 1
1 813 . 18 1 1 A 69 69 ARG H H 69 8.154 8.046 0.108 1
1 814 . 18 1 1 A 69 69 ARG HA H 69 4.362 4.150 0.212 1
1 821 . 18 1 1 A 69 69 ARG C C 69 179.432 178.774 0.658 1
1 822 . 18 1 1 A 69 69 ARG CA C 69 59.805 59.983 -0.178 1
1 823 . 18 1 1 A 69 69 ARG CB C 69 31.490 30.301 1.189 1
1 826 . 18 1 1 A 69 69 ARG N N 69 121.451 119.886 1.565 1
1 827 . 18 1 1 A 70 70 ALA H H 70 7.686 7.676 0.010 1
1 828 . 18 1 1 A 70 70 ALA HA H 70 4.107 4.020 0.087 1
1 832 . 18 1 1 A 70 70 ALA C C 70 179.724 180.055 -0.331 1
1 833 . 18 1 1 A 70 70 ALA CA C 70 54.512 54.983 -0.471 1
1 834 . 18 1 1 A 70 70 ALA CB C 70 18.187 18.512 -0.325 1
1 835 . 18 1 1 A 70 70 ALA N N 70 119.887 121.615 -1.728 1
1 836 . 18 1 1 A 71 71 ARG H H 71 7.588 7.321 0.267 1
1 837 . 18 1 1 A 71 71 ARG HA H 71 4.073 4.075 -0.002 1
1 844 . 18 1 1 A 71 71 ARG C C 71 177.775 179.100 -1.325 1
1 845 . 18 1 1 A 71 71 ARG CA C 71 57.849 59.490 -1.641 1
1 846 . 18 1 1 A 71 71 ARG CB C 71 30.419 30.157 0.262 1
1 849 . 18 1 1 A 71 71 ARG N N 71 117.554 117.502 0.052 1
1 850 . 18 1 1 A 72 72 GLU H H 72 7.776 8.399 -0.623 1
1 851 . 18 1 1 A 72 72 GLU HA H 72 4.129 4.080 0.049 1
1 856 . 18 1 1 A 72 72 GLU C C 72 177.190 179.168 -1.978 1
1 857 . 18 1 1 A 72 72 GLU CA C 72 57.625 59.121 -1.496 1
1 858 . 18 1 1 A 72 72 GLU CB C 72 29.815 29.579 0.236 1
1 860 . 18 1 1 A 72 72 GLU N N 72 119.019 119.780 -0.761 1
1 861 . 18 1 1 A 73 73 ARG H H 73 7.956 8.232 -0.276 1
1 862 . 18 1 1 A 73 73 ARG HA H 73 4.228 4.097 0.131 1
1 869 . 18 1 1 A 73 73 ARG C C 73 176.581 178.516 -1.935 1
1 870 . 18 1 1 A 73 73 ARG CA C 73 56.773 59.193 -2.420 1
1 871 . 18 1 1 A 73 73 ARG CB C 73 30.254 29.837 0.417 1
1 874 . 18 1 1 A 73 73 ARG N N 73 119.948 119.225 0.723 1
1 875 . 18 1 1 A 74 74 LYS H H 74 8.155 8.058 0.097 1
1 876 . 18 1 1 A 74 74 LYS HA H 74 4.329 4.065 0.264 1
1 885 . 18 1 1 A 74 74 LYS C C 74 176.703 176.615 0.088 1
1 886 . 18 1 1 A 74 74 LYS CA C 74 56.458 59.286 -2.828 1
1 887 . 18 1 1 A 74 74 LYS CB C 74 32.825 32.293 0.532 1
1 891 . 18 1 1 A 74 74 LYS N N 74 121.577 120.239 1.338 1
1 892 . 18 1 1 A 75 75 SER H H 75 8.246 7.500 0.746 1
1 893 . 18 1 1 A 75 75 SER HA H 75 4.474 4.904 -0.430 1
1 896 . 18 1 1 A 75 75 SER C C 75 174.486 174.505 -0.019 1
1 897 . 18 1 1 A 75 75 SER CA C 75 58.365 56.816 1.549 1
1 898 . 18 1 1 A 75 75 SER CB C 75 63.967 64.907 -0.940 1
1 899 . 18 1 1 A 75 75 SER N N 75 116.340 114.667 1.673 1
1 900 . 18 1 1 A 76 76 GLY H H 76 8.205 8.784 -0.579 1
1 901 . 18 1 1 A 76 76 GLY HA2 H 76 4.118 4.013 0.105 1
1 902 . 18 1 1 A 76 76 GLY HA3 H 76 4.118 4.015 0.103 1
1 903 . 18 1 1 A 76 76 GLY C C 76 171.758 173.127 -1.369 1
1 904 . 18 1 1 A 76 76 GLY CA C 76 44.661 44.971 -0.310 1
1 905 . 18 1 1 A 76 76 GLY N N 76 110.555 114.465 -3.910 1
1 906 . 18 1 1 A 77 77 PRO HA H 77 4.450 4.432 0.018 1
1 913 . 18 1 1 A 77 77 PRO C C 77 177.458 177.087 0.371 1
1 914 . 18 1 1 A 77 77 PRO CA C 77 63.249 62.906 0.343 1
1 915 . 18 1 1 A 77 77 PRO CB C 77 32.180 32.065 0.115 1
1 918 . 18 1 1 A 78 78 SER H H 78 8.525 8.474 0.051 1
1 919 . 18 1 1 A 78 78 SER HA H 78 4.471 4.149 0.322 1
1 922 . 18 1 1 A 78 78 SER C C 78 174.648 175.577 -0.929 1
1 923 . 18 1 1 A 78 78 SER CA C 78 58.460 59.684 -1.224 1
1 924 . 18 1 1 A 78 78 SER CB C 78 63.885 64.110 -0.225 1
1 925 . 18 1 1 A 78 78 SER N N 78 116.381 118.810 -2.429 1
1 926 . 18 1 1 A 79 79 SER H H 79 8.309 9.005 -0.696 1
1 927 . 18 1 1 A 79 79 SER HA H 79 4.457 4.222 0.235 1
1 930 . 18 1 1 A 79 79 SER C C 79 173.925 174.010 -0.085 1
1 931 . 18 1 1 A 79 79 SER CA C 79 58.401 59.027 -0.626 1
1 932 . 18 1 1 A 79 79 SER CB C 79 64.132 61.335 2.797 1
1 933 . 18 1 1 A 79 79 SER N N 79 117.741 118.904 -1.163 1
1 1 . 19 1 1 A 8 8 GLY HA2 H 8 4.031 3.982 0.049 1
1 2 . 19 1 1 A 8 8 GLY HA3 H 8 4.031 3.982 0.049 1
1 3 . 19 1 1 A 8 8 GLY C C 8 174.729 172.705 2.024 1
1 4 . 19 1 1 A 8 8 GLY CA C 8 45.278 45.534 -0.256 1
1 5 . 19 1 1 A 9 9 THR H H 9 8.248 8.594 -0.346 1
1 6 . 19 1 1 A 9 9 THR HA H 9 4.376 5.063 -0.687 1
1 11 . 19 1 1 A 9 9 THR C C 9 175.485 173.592 1.893 1
1 12 . 19 1 1 A 9 9 THR CA C 9 61.837 60.603 1.234 1
1 13 . 19 1 1 A 9 9 THR CB C 9 69.737 72.058 -2.321 1
1 15 . 19 1 1 A 9 9 THR N N 9 112.908 119.289 -6.381 1
1 16 . 19 1 1 A 10 10 GLY H H 10 8.581 8.321 0.260 1
1 17 . 19 1 1 A 10 10 GLY HA2 H 10 3.985 4.250 -0.265 1
1 18 . 19 1 1 A 10 10 GLY HA3 H 10 3.985 4.250 -0.265 1
1 19 . 19 1 1 A 10 10 GLY C C 10 174.705 172.254 2.451 1
1 20 . 19 1 1 A 10 10 GLY CA C 10 45.455 45.509 -0.054 1
1 21 . 19 1 1 A 10 10 GLY N N 10 111.487 110.924 0.563 1
1 22 . 19 1 1 A 11 11 GLY H H 11 8.286 8.348 -0.062 1
1 23 . 19 1 1 A 11 11 GLY HA2 H 11 3.958 4.388 -0.430 1
1 24 . 19 1 1 A 11 11 GLY HA3 H 11 3.958 4.388 -0.430 1
1 25 . 19 1 1 A 11 11 GLY C C 11 174.071 172.299 1.772 1
1 26 . 19 1 1 A 11 11 GLY CA C 11 45.101 45.917 -0.816 1
1 27 . 19 1 1 A 11 11 GLY N N 11 108.887 109.506 -0.619 1
1 28 . 19 1 1 A 12 12 GLU H H 12 8.333 8.643 -0.310 1
1 29 . 19 1 1 A 12 12 GLU HA H 12 4.271 5.079 -0.808 1
1 34 . 19 1 1 A 12 12 GLU C C 12 176.435 175.186 1.249 1
1 35 . 19 1 1 A 12 12 GLU CA C 12 56.278 55.024 1.254 1
1 36 . 19 1 1 A 12 12 GLU CB C 12 30.358 32.067 -1.709 1
1 38 . 19 1 1 A 12 12 GLU N N 12 120.407 118.626 1.781 1
1 39 . 19 1 1 A 13 13 GLU H H 13 8.546 8.494 0.052 1
1 40 . 19 1 1 A 13 13 GLU HA H 13 4.521 4.793 -0.272 1
1 45 . 19 1 1 A 13 13 GLU C C 13 174.648 176.045 -1.397 1
1 46 . 19 1 1 A 13 13 GLU CA C 13 54.687 53.268 1.419 1
1 47 . 19 1 1 A 13 13 GLU CB C 13 29.688 32.481 -2.793 1
1 49 . 19 1 1 A 13 13 GLU N N 13 123.832 119.050 4.782 1
1 50 . 19 1 1 A 14 14 PRO HA H 14 4.375 4.442 -0.067 1
1 57 . 19 1 1 A 14 14 PRO C C 14 177.117 177.740 -0.623 1
1 58 . 19 1 1 A 14 14 PRO CA C 14 63.379 64.092 -0.713 1
1 59 . 19 1 1 A 14 14 PRO CB C 14 32.003 31.857 0.146 1
1 62 . 19 1 1 A 15 15 GLN H H 15 8.543 8.751 -0.208 1
1 63 . 19 1 1 A 15 15 GLN HA H 15 4.230 4.007 0.223 1
1 70 . 19 1 1 A 15 15 GLN C C 15 176.459 176.279 0.180 1
1 71 . 19 1 1 A 15 15 GLN CA C 15 56.171 59.086 -2.915 1
1 72 . 19 1 1 A 15 15 GLN CB C 15 28.935 28.384 0.551 1
1 74 . 19 1 1 A 15 15 GLN N N 15 120.153 119.017 1.136 1
1 76 . 19 1 1 A 16 16 ARG H H 16 8.337 7.708 0.629 1
1 77 . 19 1 1 A 16 16 ARG HA H 16 4.219 4.784 -0.565 1
1 84 . 19 1 1 A 16 16 ARG C C 16 176.216 173.874 2.342 1
1 85 . 19 1 1 A 16 16 ARG CA C 16 56.809 55.437 1.372 1
1 86 . 19 1 1 A 16 16 ARG CB C 16 30.666 33.100 -2.434 1
1 89 . 19 1 1 A 16 16 ARG N N 16 122.090 118.577 3.513 1
1 90 . 19 1 1 A 17 17 ASP H H 17 8.313 8.742 -0.429 1
1 91 . 19 1 1 A 17 17 ASP HA H 17 4.523 5.319 -0.796 1
1 94 . 19 1 1 A 17 17 ASP C C 17 176.727 176.203 0.524 1
1 95 . 19 1 1 A 17 17 ASP CA C 17 54.591 52.557 2.034 1
1 96 . 19 1 1 A 17 17 ASP CB C 17 41.097 44.301 -3.204 1
1 97 . 19 1 1 A 17 17 ASP N N 17 120.664 125.977 -5.313 1
1 98 . 19 1 1 A 18 18 LYS H H 18 8.276 8.736 -0.460 1
1 99 . 19 1 1 A 18 18 LYS HA H 18 4.175 4.185 -0.010 1
1 108 . 19 1 1 A 18 18 LYS C C 18 176.971 176.422 0.549 1
1 109 . 19 1 1 A 18 18 LYS CA C 18 56.971 57.967 -0.996 1
1 110 . 19 1 1 A 18 18 LYS CB C 18 32.562 33.271 -0.709 1
1 114 . 19 1 1 A 18 18 LYS N N 18 122.504 123.229 -0.725 1
1 115 . 19 1 1 A 19 19 ARG H H 19 8.240 7.599 0.641 1
1 116 . 19 1 1 A 19 19 ARG HA H 19 4.205 4.682 -0.477 1
1 123 . 19 1 1 A 19 19 ARG C C 19 176.532 175.192 1.340 1
1 124 . 19 1 1 A 19 19 ARG CA C 19 56.632 55.557 1.075 1
1 125 . 19 1 1 A 19 19 ARG CB C 19 30.647 31.757 -1.110 1
1 128 . 19 1 1 A 19 19 ARG N N 19 120.296 119.741 0.555 1
1 129 . 19 1 1 A 20 20 LEU H H 20 8.068 8.846 -0.778 1
1 130 . 19 1 1 A 20 20 LEU HA H 20 4.262 4.908 -0.646 1
1 140 . 19 1 1 A 20 20 LEU C C 20 177.288 176.407 0.881 1
1 141 . 19 1 1 A 20 20 LEU CA C 20 55.110 53.441 1.669 1
1 142 . 19 1 1 A 20 20 LEU CB C 20 42.081 42.562 -0.481 1
1 146 . 19 1 1 A 20 20 LEU N N 20 121.867 128.061 -6.194 1
1 147 . 19 1 1 A 21 21 ARG H H 21 8.226 8.617 -0.391 1
1 148 . 19 1 1 A 21 21 ARG HA H 21 4.413 4.223 0.190 1
1 155 . 19 1 1 A 21 21 ARG C C 21 176.313 178.007 -1.694 1
1 156 . 19 1 1 A 21 21 ARG CA C 21 56.194 56.218 -0.024 1
1 157 . 19 1 1 A 21 21 ARG CB C 21 30.996 30.538 0.458 1
1 160 . 19 1 1 A 21 21 ARG N N 21 121.612 120.294 1.318 1
1 161 . 19 1 1 A 22 22 THR H H 22 8.215 8.682 -0.467 1
1 162 . 19 1 1 A 22 22 THR HA H 22 4.405 3.941 0.464 1
1 167 . 19 1 1 A 22 22 THR C C 22 174.169 175.147 -0.978 1
1 168 . 19 1 1 A 22 22 THR CA C 22 61.963 65.832 -3.869 1
1 169 . 19 1 1 A 22 22 THR CB C 22 69.779 68.252 1.527 1
1 171 . 19 1 1 A 22 22 THR N N 22 114.661 118.425 -3.764 1
1 172 . 19 1 1 A 23 23 THR H H 23 8.087 7.508 0.579 1
1 173 . 19 1 1 A 23 23 THR HA H 23 4.308 4.361 -0.053 1
1 178 . 19 1 1 A 23 23 THR C C 23 173.413 173.693 -0.280 1
1 179 . 19 1 1 A 23 23 THR CA C 23 62.158 62.035 0.123 1
1 180 . 19 1 1 A 23 23 THR CB C 23 69.916 70.391 -0.475 1
1 182 . 19 1 1 A 23 23 THR N N 23 118.008 113.936 4.072 1
1 183 . 19 1 1 A 24 24 ILE H H 24 8.110 8.229 -0.119 1
1 184 . 19 1 1 A 24 24 ILE HA H 24 4.200 5.070 -0.870 1
1 194 . 19 1 1 A 24 24 ILE C C 24 176.654 175.760 0.894 1
1 195 . 19 1 1 A 24 24 ILE CA C 24 61.690 59.517 2.173 1
1 196 . 19 1 1 A 24 24 ILE CB C 24 39.487 41.306 -1.819 1
1 200 . 19 1 1 A 24 24 ILE N N 24 124.852 120.519 4.333 1
1 201 . 19 1 1 A 25 25 THR H H 25 9.023 8.430 0.593 1
1 202 . 19 1 1 A 25 25 THR HA H 25 4.564 4.974 -0.410 1
1 207 . 19 1 1 A 25 25 THR C C 25 173.433 174.309 -0.876 1
1 208 . 19 1 1 A 25 25 THR CA C 25 60.759 58.510 2.249 1
1 209 . 19 1 1 A 25 25 THR CB C 25 68.089 69.773 -1.684 1
1 211 . 19 1 1 A 25 25 THR N N 25 120.568 115.937 4.631 1
1 212 . 19 1 1 A 26 26 PRO HA H 26 4.172 4.560 -0.388 1
1 219 . 19 1 1 A 26 26 PRO C C 26 179.237 177.433 1.804 1
1 220 . 19 1 1 A 26 26 PRO CA C 26 65.917 64.447 1.470 1
1 221 . 19 1 1 A 26 26 PRO CB C 26 31.725 31.702 0.023 1
1 224 . 19 1 1 A 27 27 GLU H H 27 8.722 8.371 0.351 1
1 225 . 19 1 1 A 27 27 GLU HA H 27 4.006 4.303 -0.297 1
1 230 . 19 1 1 A 27 27 GLU C C 27 179.749 177.269 2.480 1
1 231 . 19 1 1 A 27 27 GLU CA C 27 60.353 57.327 3.026 1
1 232 . 19 1 1 A 27 27 GLU CB C 27 28.851 30.046 -1.195 1
1 234 . 19 1 1 A 27 27 GLU N N 27 117.087 117.507 -0.420 1
1 235 . 19 1 1 A 28 28 GLN H H 28 7.666 7.691 -0.025 1
1 236 . 19 1 1 A 28 28 GLN HA H 28 3.767 4.281 -0.514 1
1 243 . 19 1 1 A 28 28 GLN C C 28 177.872 178.012 -0.140 1
1 244 . 19 1 1 A 28 28 GLN CA C 28 58.821 57.334 1.487 1
1 245 . 19 1 1 A 28 28 GLN CB C 28 29.401 29.396 0.005 1
1 247 . 19 1 1 A 28 28 GLN N N 28 119.298 117.718 1.580 1
1 249 . 19 1 1 A 29 29 LEU H H 29 8.453 7.862 0.591 1
1 250 . 19 1 1 A 29 29 LEU HA H 29 3.484 3.565 -0.081 1
1 260 . 19 1 1 A 29 29 LEU C C 29 178.092 178.643 -0.551 1
1 261 . 19 1 1 A 29 29 LEU CA C 29 57.737 57.599 0.138 1
1 262 . 19 1 1 A 29 29 LEU CB C 29 41.578 41.606 -0.028 1
1 266 . 19 1 1 A 29 29 LEU N N 29 120.145 120.649 -0.504 1
1 267 . 19 1 1 A 30 30 GLU H H 30 7.607 8.363 -0.756 1
1 268 . 19 1 1 A 30 30 GLU HA H 30 4.069 4.107 -0.038 1
1 273 . 19 1 1 A 30 30 GLU C C 30 179.140 179.387 -0.247 1
1 274 . 19 1 1 A 30 30 GLU CA C 30 59.334 59.690 -0.356 1
1 275 . 19 1 1 A 30 30 GLU CB C 30 29.512 29.504 0.008 1
1 277 . 19 1 1 A 30 30 GLU N N 30 116.903 116.657 0.246 1
1 278 . 19 1 1 A 31 31 ILE H H 31 7.070 8.119 -1.049 1
1 279 . 19 1 1 A 31 31 ILE HA H 31 3.692 3.679 0.013 1
1 289 . 19 1 1 A 31 31 ILE C C 31 178.287 178.643 -0.356 1
1 290 . 19 1 1 A 31 31 ILE CA C 31 64.416 65.719 -1.303 1
1 291 . 19 1 1 A 31 31 ILE CB C 31 37.777 37.892 -0.115 1
1 295 . 19 1 1 A 31 31 ILE N N 31 118.947 121.139 -2.192 1
1 296 . 19 1 1 A 32 32 LEU H H 32 8.126 8.151 -0.025 1
1 297 . 19 1 1 A 32 32 LEU HA H 32 3.418 3.828 -0.410 1
1 307 . 19 1 1 A 32 32 LEU C C 32 178.311 178.863 -0.552 1
1 308 . 19 1 1 A 32 32 LEU CA C 32 58.497 57.899 0.598 1
1 309 . 19 1 1 A 32 32 LEU CB C 32 38.146 41.049 -2.903 1
1 313 . 19 1 1 A 32 32 LEU N N 32 120.437 119.215 1.222 1
1 314 . 19 1 1 A 33 33 TYR H H 33 8.312 8.464 -0.152 1
1 315 . 19 1 1 A 33 33 TYR HA H 33 4.358 4.617 -0.259 1
1 322 . 19 1 1 A 33 33 TYR C C 33 178.214 178.548 -0.334 1
1 323 . 19 1 1 A 33 33 TYR CA C 33 62.645 60.973 1.672 1
1 324 . 19 1 1 A 33 33 TYR CB C 33 37.807 37.990 -0.183 1
1 329 . 19 1 1 A 33 33 TYR N N 33 117.248 118.011 -0.763 1
1 330 . 19 1 1 A 34 34 GLN H H 34 7.750 8.559 -0.809 1
1 331 . 19 1 1 A 34 34 GLN HA H 34 3.967 3.968 -0.001 1
1 338 . 19 1 1 A 34 34 GLN C C 34 180.065 179.183 0.882 1
1 339 . 19 1 1 A 34 34 GLN CA C 34 59.143 59.384 -0.241 1
1 340 . 19 1 1 A 34 34 GLN CB C 34 27.781 28.595 -0.814 1
1 342 . 19 1 1 A 34 34 GLN N N 34 117.509 118.243 -0.734 1
1 344 . 19 1 1 A 35 35 LYS H H 35 8.381 7.979 0.402 1
1 345 . 19 1 1 A 35 35 LYS HA H 35 4.132 4.237 -0.105 1
1 354 . 19 1 1 A 35 35 LYS C C 35 179.456 178.750 0.706 1
1 355 . 19 1 1 A 35 35 LYS CA C 35 57.839 58.543 -0.704 1
1 356 . 19 1 1 A 35 35 LYS CB C 35 31.487 32.508 -1.021 1
1 360 . 19 1 1 A 35 35 LYS N N 35 117.671 120.575 -2.904 1
1 361 . 19 1 1 A 36 36 TYR H H 36 9.036 8.491 0.545 1
1 362 . 19 1 1 A 36 36 TYR HA H 36 4.164 4.754 -0.590 1
1 369 . 19 1 1 A 36 36 TYR C C 36 176.630 177.339 -0.709 1
1 370 . 19 1 1 A 36 36 TYR CA C 36 61.726 61.426 0.300 1
1 371 . 19 1 1 A 36 36 TYR CB C 36 38.579 38.330 0.249 1
1 376 . 19 1 1 A 36 36 TYR N N 36 124.434 123.110 1.324 1
1 377 . 19 1 1 A 37 37 LEU H H 37 7.848 9.252 -1.404 1
1 378 . 19 1 1 A 37 37 LEU HA H 37 3.918 4.040 -0.122 1
1 388 . 19 1 1 A 37 37 LEU C C 37 179.334 179.417 -0.083 1
1 389 . 19 1 1 A 37 37 LEU CA C 37 56.827 58.208 -1.381 1
1 390 . 19 1 1 A 37 37 LEU CB C 37 42.069 41.758 0.311 1
1 394 . 19 1 1 A 37 37 LEU N N 37 116.192 120.311 -4.119 1
1 395 . 19 1 1 A 38 38 LEU H H 38 7.230 7.309 -0.079 1
1 396 . 19 1 1 A 38 38 LEU HA H 38 4.150 4.349 -0.199 1
1 406 . 19 1 1 A 38 38 LEU C C 38 178.116 176.308 1.808 1
1 407 . 19 1 1 A 38 38 LEU CA C 38 56.915 56.018 0.897 1
1 408 . 19 1 1 A 38 38 LEU CB C 38 42.336 42.716 -0.380 1
1 412 . 19 1 1 A 38 38 LEU N N 38 118.422 113.246 5.176 1
1 413 . 19 1 1 A 39 39 ASP H H 39 7.543 7.998 -0.455 1
1 414 . 19 1 1 A 39 39 ASP HA H 39 4.364 4.886 -0.522 1
1 417 . 19 1 1 A 39 39 ASP C C 39 174.778 175.853 -1.075 1
1 418 . 19 1 1 A 39 39 ASP CA C 39 54.731 53.709 1.022 1
1 419 . 19 1 1 A 39 39 ASP CB C 39 41.134 42.518 -1.384 1
1 420 . 19 1 1 A 39 39 ASP N N 39 117.417 118.839 -1.422 1
1 421 . 19 1 1 A 40 40 SER H H 40 8.240 8.627 -0.387 1
1 422 . 19 1 1 A 40 40 SER HA H 40 3.984 4.619 -0.635 1
1 425 . 19 1 1 A 40 40 SER C C 40 174.169 175.035 -0.866 1
1 426 . 19 1 1 A 40 40 SER CA C 40 58.825 57.832 0.993 1
1 427 . 19 1 1 A 40 40 SER CB C 40 63.964 63.131 0.833 1
1 428 . 19 1 1 A 40 40 SER N N 40 119.077 119.814 -0.737 1
1 429 . 19 1 1 A 41 41 ASN H H 41 8.711 8.042 0.669 1
1 430 . 19 1 1 A 41 41 ASN HA H 41 5.007 5.222 -0.215 1
1 435 . 19 1 1 A 41 41 ASN C C 41 171.078 172.339 -1.261 1
1 436 . 19 1 1 A 41 41 ASN CA C 41 51.291 50.806 0.485 1
1 437 . 19 1 1 A 41 41 ASN CB C 41 39.815 39.468 0.347 1
1 438 . 19 1 1 A 41 41 ASN N N 41 119.546 119.099 0.447 1
1 440 . 19 1 1 A 42 42 PRO HA H 42 4.408 4.659 -0.251 1
1 447 . 19 1 1 A 42 42 PRO C C 42 177.028 175.940 1.088 1
1 448 . 19 1 1 A 42 42 PRO CA C 42 62.678 62.534 0.144 1
1 449 . 19 1 1 A 42 42 PRO CB C 42 31.869 32.497 -0.628 1
1 452 . 19 1 1 A 43 43 THR H H 43 7.797 8.351 -0.554 1
1 453 . 19 1 1 A 43 43 THR HA H 43 4.205 4.667 -0.462 1
1 458 . 19 1 1 A 43 43 THR C C 43 174.729 175.375 -0.646 1
1 459 . 19 1 1 A 43 43 THR CA C 43 60.690 60.058 0.632 1
1 460 . 19 1 1 A 43 43 THR CB C 43 71.138 70.713 0.425 1
1 462 . 19 1 1 A 43 43 THR N N 43 111.399 116.622 -5.223 1
1 463 . 19 1 1 A 44 44 ARG H H 44 8.718 8.904 -0.186 1
1 464 . 19 1 1 A 44 44 ARG HA H 44 3.863 3.915 -0.052 1
1 471 . 19 1 1 A 44 44 ARG C C 44 178.384 178.613 -0.229 1
1 472 . 19 1 1 A 44 44 ARG CA C 44 60.014 59.889 0.125 1
1 473 . 19 1 1 A 44 44 ARG CB C 44 29.512 29.877 -0.365 1
1 476 . 19 1 1 A 44 44 ARG N N 44 120.640 127.159 -6.519 1
1 477 . 19 1 1 A 45 45 LYS H H 45 8.142 7.889 0.253 1
1 478 . 19 1 1 A 45 45 LYS HA H 45 4.070 4.040 0.030 1
1 487 . 19 1 1 A 45 45 LYS C C 45 179.334 178.880 0.454 1
1 488 . 19 1 1 A 45 45 LYS CA C 45 59.170 59.344 -0.174 1
1 489 . 19 1 1 A 45 45 LYS CB C 45 32.457 32.266 0.191 1
1 493 . 19 1 1 A 45 45 LYS N N 45 117.851 119.907 -2.056 1
1 494 . 19 1 1 A 46 46 MET H H 46 7.560 8.272 -0.712 1
1 495 . 19 1 1 A 46 46 MET HA H 46 4.329 4.131 0.198 1
1 503 . 19 1 1 A 46 46 MET C C 46 178.774 178.842 -0.068 1
1 504 . 19 1 1 A 46 46 MET CA C 46 57.799 58.622 -0.823 1
1 505 . 19 1 1 A 46 46 MET CB C 46 32.210 32.904 -0.694 1
1 508 . 19 1 1 A 46 46 MET N N 46 119.433 118.388 1.045 1
1 509 . 19 1 1 A 47 47 LEU H H 47 8.624 8.028 0.596 1
1 510 . 19 1 1 A 47 47 LEU HA H 47 3.758 3.791 -0.033 1
1 520 . 19 1 1 A 47 47 LEU C C 47 178.701 179.230 -0.529 1
1 521 . 19 1 1 A 47 47 LEU CA C 47 58.648 57.772 0.876 1
1 522 . 19 1 1 A 47 47 LEU CB C 47 42.248 41.626 0.622 1
1 526 . 19 1 1 A 47 47 LEU N N 47 120.980 119.635 1.345 1
1 527 . 19 1 1 A 48 48 ASP H H 48 7.891 7.849 0.042 1
1 528 . 19 1 1 A 48 48 ASP HA H 48 4.275 4.359 -0.084 1
1 531 . 19 1 1 A 48 48 ASP C C 48 178.798 178.471 0.327 1
1 532 . 19 1 1 A 48 48 ASP CA C 48 57.662 57.352 0.310 1
1 533 . 19 1 1 A 48 48 ASP CB C 48 40.347 41.124 -0.777 1
1 534 . 19 1 1 A 48 48 ASP N N 48 119.025 120.003 -0.978 1
1 535 . 19 1 1 A 49 49 HIS H H 49 7.760 8.003 -0.243 1
1 536 . 19 1 1 A 49 49 HIS HA H 49 4.390 4.249 0.141 1
1 540 . 19 1 1 A 49 49 HIS C C 49 178.287 177.286 1.001 1
1 541 . 19 1 1 A 49 49 HIS CA C 49 59.930 60.012 -0.082 1
1 542 . 19 1 1 A 49 49 HIS CB C 49 30.348 30.291 0.057 1
1 544 . 19 1 1 A 49 49 HIS N N 49 120.629 119.062 1.567 1
1 545 . 19 1 1 A 50 50 ILE H H 50 8.934 8.266 0.668 1
1 546 . 19 1 1 A 50 50 ILE HA H 50 3.619 3.616 0.003 1
1 556 . 19 1 1 A 50 50 ILE C C 50 177.410 178.256 -0.846 1
1 557 . 19 1 1 A 50 50 ILE CA C 50 65.779 65.586 0.193 1
1 558 . 19 1 1 A 50 50 ILE CB C 50 38.622 37.779 0.843 1
1 562 . 19 1 1 A 50 50 ILE N N 50 120.913 120.113 0.800 1
1 563 . 19 1 1 A 51 51 ALA H H 51 8.423 7.907 0.516 1
1 564 . 19 1 1 A 51 51 ALA HA H 51 3.859 4.162 -0.303 1
1 568 . 19 1 1 A 51 51 ALA C C 51 179.213 179.846 -0.633 1
1 569 . 19 1 1 A 51 51 ALA CA C 51 56.348 54.442 1.906 1
1 570 . 19 1 1 A 51 51 ALA CB C 51 17.292 18.289 -0.997 1
1 571 . 19 1 1 A 51 51 ALA N N 51 120.695 120.764 -0.069 1
1 572 . 19 1 1 A 52 52 HIS H H 52 7.735 8.062 -0.327 1
1 573 . 19 1 1 A 52 52 HIS HA H 52 4.273 4.186 0.087 1
1 577 . 19 1 1 A 52 52 HIS C C 52 177.799 177.170 0.629 1
1 578 . 19 1 1 A 52 52 HIS CA C 52 59.406 58.839 0.567 1
1 579 . 19 1 1 A 52 52 HIS CB C 52 29.842 29.874 -0.032 1
1 581 . 19 1 1 A 52 52 HIS N N 52 115.822 118.402 -2.580 1
1 582 . 19 1 1 A 53 53 GLU H H 53 8.299 8.429 -0.130 1
1 583 . 19 1 1 A 53 53 GLU HA H 53 3.842 4.049 -0.207 1
1 588 . 19 1 1 A 53 53 GLU C C 53 178.652 178.310 0.342 1
1 589 . 19 1 1 A 53 53 GLU CA C 53 59.434 59.308 0.126 1
1 590 . 19 1 1 A 53 53 GLU CB C 53 30.204 29.217 0.987 1
1 592 . 19 1 1 A 53 53 GLU N N 53 120.073 117.583 2.490 1
1 593 . 19 1 1 A 54 54 VAL H H 54 8.446 7.782 0.664 1
1 594 . 19 1 1 A 54 54 VAL HA H 54 4.150 3.990 0.160 1
1 602 . 19 1 1 A 54 54 VAL C C 54 175.899 176.912 -1.013 1
1 603 . 19 1 1 A 54 54 VAL CA C 54 62.001 64.461 -2.460 1
1 604 . 19 1 1 A 54 54 VAL CB C 54 33.000 31.730 1.270 1
1 607 . 19 1 1 A 54 54 VAL N N 54 112.194 118.766 -6.572 1
1 608 . 19 1 1 A 55 55 GLY H H 55 7.879 8.117 -0.238 1
1 609 . 19 1 1 A 55 55 GLY HA2 H 55 3.975 3.891 0.084 1
1 610 . 19 1 1 A 55 55 GLY HA3 H 55 3.814 3.919 -0.105 1
1 611 . 19 1 1 A 55 55 GLY C C 55 174.461 174.120 0.341 1
1 612 . 19 1 1 A 55 55 GLY CA C 55 46.551 46.356 0.195 1
1 613 . 19 1 1 A 55 55 GLY N N 55 111.306 109.646 1.660 1
1 614 . 19 1 1 A 56 56 LEU H H 56 7.766 7.302 0.464 1
1 615 . 19 1 1 A 56 56 LEU HA H 56 4.825 4.791 0.034 1
1 625 . 19 1 1 A 56 56 LEU C C 56 175.704 175.613 0.091 1
1 626 . 19 1 1 A 56 56 LEU CA C 56 52.223 53.395 -1.172 1
1 627 . 19 1 1 A 56 56 LEU CB C 56 47.913 45.648 2.265 1
1 631 . 19 1 1 A 56 56 LEU N N 56 119.685 121.155 -1.470 1
1 632 . 19 1 1 A 57 57 LYS H H 57 8.268 8.459 -0.191 1
1 633 . 19 1 1 A 57 57 LYS HA H 57 4.212 4.143 0.069 1
1 642 . 19 1 1 A 57 57 LYS C C 57 178.555 177.653 0.902 1
1 643 . 19 1 1 A 57 57 LYS CA C 57 56.375 57.303 -0.928 1
1 644 . 19 1 1 A 57 57 LYS CB C 57 32.750 32.487 0.263 1
1 648 . 19 1 1 A 57 57 LYS N N 57 118.380 125.090 -6.710 1
1 649 . 19 1 1 A 58 58 LYS H H 58 8.853 9.023 -0.170 1
1 650 . 19 1 1 A 58 58 LYS HA H 58 3.670 3.809 -0.139 1
1 659 . 19 1 1 A 58 58 LYS C C 58 178.652 178.269 0.383 1
1 660 . 19 1 1 A 58 58 LYS CA C 58 61.026 60.627 0.399 1
1 661 . 19 1 1 A 58 58 LYS CB C 58 31.655 32.272 -0.617 1
1 665 . 19 1 1 A 58 58 LYS N N 58 123.883 126.043 -2.160 1
1 666 . 19 1 1 A 59 59 ARG H H 59 8.834 7.727 1.107 1
1 667 . 19 1 1 A 59 59 ARG HA H 59 4.120 4.128 -0.008 1
1 674 . 19 1 1 A 59 59 ARG C C 59 177.872 178.864 -0.992 1
1 675 . 19 1 1 A 59 59 ARG CA C 59 58.851 58.753 0.098 1
1 676 . 19 1 1 A 59 59 ARG CB C 59 29.832 29.811 0.021 1
1 679 . 19 1 1 A 59 59 ARG N N 59 117.315 119.086 -1.771 1
1 680 . 19 1 1 A 60 60 VAL H H 60 6.892 8.133 -1.241 1
1 681 . 19 1 1 A 60 60 VAL HA H 60 3.677 3.796 -0.119 1
1 689 . 19 1 1 A 60 60 VAL C C 60 178.701 178.551 0.150 1
1 690 . 19 1 1 A 60 60 VAL CA C 60 65.741 65.866 -0.125 1
1 691 . 19 1 1 A 60 60 VAL CB C 60 31.520 31.699 -0.179 1
1 694 . 19 1 1 A 60 60 VAL N N 60 117.560 119.659 -2.099 1
1 695 . 19 1 1 A 61 61 VAL H H 61 7.394 8.132 -0.738 1
1 696 . 19 1 1 A 61 61 VAL HA H 61 3.647 3.734 -0.087 1
1 704 . 19 1 1 A 61 61 VAL C C 61 177.385 178.050 -0.665 1
1 705 . 19 1 1 A 61 61 VAL CA C 61 67.232 66.784 0.448 1
1 706 . 19 1 1 A 61 61 VAL CB C 61 32.125 31.412 0.713 1
1 709 . 19 1 1 A 61 61 VAL N N 61 119.625 120.926 -1.301 1
1 710 . 19 1 1 A 62 62 GLN H H 62 8.681 8.471 0.210 1
1 711 . 19 1 1 A 62 62 GLN HA H 62 4.047 4.035 0.012 1
1 718 . 19 1 1 A 62 62 GLN C C 62 178.798 178.743 0.055 1
1 719 . 19 1 1 A 62 62 GLN CA C 62 60.169 59.094 1.075 1
1 720 . 19 1 1 A 62 62 GLN CB C 62 28.935 28.429 0.506 1
1 722 . 19 1 1 A 62 62 GLN N N 62 119.803 119.914 -0.111 1
1 724 . 19 1 1 A 63 63 VAL H H 63 8.279 8.630 -0.351 1
1 725 . 19 1 1 A 63 63 VAL HA H 63 3.703 3.667 0.036 1
1 733 . 19 1 1 A 63 63 VAL C C 63 177.263 178.191 -0.928 1
1 734 . 19 1 1 A 63 63 VAL CA C 63 66.384 66.476 -0.092 1
1 735 . 19 1 1 A 63 63 VAL CB C 63 31.983 31.561 0.422 1
1 738 . 19 1 1 A 63 63 VAL N N 63 120.104 119.417 0.687 1
1 739 . 19 1 1 A 64 64 TRP H H 64 8.376 8.058 0.318 1
1 740 . 19 1 1 A 64 64 TRP HA H 64 4.015 4.245 -0.230 1
1 749 . 19 1 1 A 64 64 TRP C C 64 180.309 178.020 2.289 1
1 750 . 19 1 1 A 64 64 TRP CA C 64 63.421 60.688 2.733 1
1 751 . 19 1 1 A 64 64 TRP CB C 64 28.382 29.886 -1.504 1
1 757 . 19 1 1 A 64 64 TRP N N 64 122.121 121.642 0.479 1
1 759 . 19 1 1 A 65 65 PHE H H 65 9.032 8.044 0.988 1
1 760 . 19 1 1 A 65 65 PHE HA H 65 3.662 4.448 -0.786 1
1 768 . 19 1 1 A 65 65 PHE C C 65 178.214 178.837 -0.623 1
1 769 . 19 1 1 A 65 65 PHE CA C 65 63.919 61.258 2.661 1
1 770 . 19 1 1 A 65 65 PHE CB C 65 39.512 39.555 -0.043 1
1 776 . 19 1 1 A 65 65 PHE N N 65 120.975 116.992 3.983 1
1 777 . 19 1 1 A 66 66 GLN H H 66 8.021 8.063 -0.042 1
1 778 . 19 1 1 A 66 66 GLN HA H 66 3.957 4.094 -0.137 1
1 785 . 19 1 1 A 66 66 GLN C C 66 179.066 177.826 1.240 1
1 786 . 19 1 1 A 66 66 GLN CA C 66 59.426 58.688 0.738 1
1 787 . 19 1 1 A 66 66 GLN CB C 66 28.536 28.046 0.490 1
1 789 . 19 1 1 A 66 66 GLN N N 66 117.887 116.998 0.889 1
1 791 . 19 1 1 A 67 67 ASN H H 67 8.807 8.022 0.785 1
1 792 . 19 1 1 A 67 67 ASN HA H 67 4.331 4.549 -0.218 1
1 797 . 19 1 1 A 67 67 ASN C C 67 177.775 177.730 0.045 1
1 798 . 19 1 1 A 67 67 ASN CA C 67 55.461 55.868 -0.407 1
1 799 . 19 1 1 A 67 67 ASN CB C 67 37.718 38.316 -0.598 1
1 800 . 19 1 1 A 67 67 ASN N N 67 119.312 118.373 0.939 1
1 802 . 19 1 1 A 68 68 THR H H 68 8.092 7.367 0.725 1
1 803 . 19 1 1 A 68 68 THR HA H 68 3.262 3.401 -0.139 1
1 808 . 19 1 1 A 68 68 THR C C 68 175.972 176.371 -0.399 1
1 809 . 19 1 1 A 68 68 THR CA C 68 66.903 66.782 0.121 1
1 810 . 19 1 1 A 68 68 THR CB C 68 67.800 67.895 -0.095 1
1 812 . 19 1 1 A 68 68 THR N N 68 120.500 116.651 3.849 1
1 813 . 19 1 1 A 69 69 ARG H H 69 8.154 8.226 -0.072 1
1 814 . 19 1 1 A 69 69 ARG HA H 69 4.362 4.152 0.210 1
1 821 . 19 1 1 A 69 69 ARG C C 69 179.432 178.632 0.800 1
1 822 . 19 1 1 A 69 69 ARG CA C 69 59.805 59.977 -0.172 1
1 823 . 19 1 1 A 69 69 ARG CB C 69 31.490 30.226 1.264 1
1 826 . 19 1 1 A 69 69 ARG N N 69 121.451 119.509 1.942 1
1 827 . 19 1 1 A 70 70 ALA H H 70 7.686 7.792 -0.106 1
1 828 . 19 1 1 A 70 70 ALA HA H 70 4.107 4.076 0.031 1
1 832 . 19 1 1 A 70 70 ALA C C 70 179.724 179.991 -0.267 1
1 833 . 19 1 1 A 70 70 ALA CA C 70 54.512 54.910 -0.398 1
1 834 . 19 1 1 A 70 70 ALA CB C 70 18.187 18.391 -0.204 1
1 835 . 19 1 1 A 70 70 ALA N N 70 119.887 121.851 -1.964 1
1 836 . 19 1 1 A 71 71 ARG H H 71 7.588 7.613 -0.025 1
1 837 . 19 1 1 A 71 71 ARG HA H 71 4.073 4.067 0.006 1
1 844 . 19 1 1 A 71 71 ARG C C 71 177.775 179.110 -1.335 1
1 845 . 19 1 1 A 71 71 ARG CA C 71 57.849 59.541 -1.692 1
1 846 . 19 1 1 A 71 71 ARG CB C 71 30.419 29.940 0.479 1
1 849 . 19 1 1 A 71 71 ARG N N 71 117.554 117.248 0.306 1
1 850 . 19 1 1 A 72 72 GLU H H 72 7.776 8.437 -0.661 1
1 851 . 19 1 1 A 72 72 GLU HA H 72 4.129 4.056 0.073 1
1 856 . 19 1 1 A 72 72 GLU C C 72 177.190 179.262 -2.072 1
1 857 . 19 1 1 A 72 72 GLU CA C 72 57.625 59.240 -1.615 1
1 858 . 19 1 1 A 72 72 GLU CB C 72 29.815 29.538 0.277 1
1 860 . 19 1 1 A 72 72 GLU N N 72 119.019 119.598 -0.579 1
1 861 . 19 1 1 A 73 73 ARG H H 73 7.956 8.344 -0.388 1
1 862 . 19 1 1 A 73 73 ARG HA H 73 4.228 4.104 0.124 1
1 869 . 19 1 1 A 73 73 ARG C C 73 176.581 176.416 0.165 1
1 870 . 19 1 1 A 73 73 ARG CA C 73 56.773 58.948 -2.175 1
1 871 . 19 1 1 A 73 73 ARG CB C 73 30.254 30.083 0.171 1
1 874 . 19 1 1 A 73 73 ARG N N 73 119.948 118.080 1.868 1
1 875 . 19 1 1 A 74 74 LYS H H 74 8.155 7.524 0.631 1
1 876 . 19 1 1 A 74 74 LYS HA H 74 4.329 3.831 0.498 1
1 885 . 19 1 1 A 74 74 LYS C C 74 176.703 177.389 -0.686 1
1 886 . 19 1 1 A 74 74 LYS CA C 74 56.458 58.292 -1.834 1
1 887 . 19 1 1 A 74 74 LYS CB C 74 32.825 32.241 0.584 1
1 891 . 19 1 1 A 74 74 LYS N N 74 121.577 121.091 0.486 1
1 892 . 19 1 1 A 75 75 SER H H 75 8.246 8.952 -0.706 1
1 893 . 19 1 1 A 75 75 SER HA H 75 4.474 4.192 0.282 1
1 896 . 19 1 1 A 75 75 SER C C 75 174.486 173.552 0.934 1
1 897 . 19 1 1 A 75 75 SER CA C 75 58.365 59.034 -0.669 1
1 898 . 19 1 1 A 75 75 SER CB C 75 63.967 61.045 2.922 1
1 899 . 19 1 1 A 75 75 SER N N 75 116.340 121.429 -5.089 1
1 900 . 19 1 1 A 76 76 GLY H H 76 8.205 7.609 0.596 1
1 901 . 19 1 1 A 76 76 GLY HA2 H 76 4.118 4.132 -0.014 1
1 902 . 19 1 1 A 76 76 GLY HA3 H 76 4.118 4.133 -0.015 1
1 903 . 19 1 1 A 76 76 GLY C C 76 171.758 173.895 -2.137 1
1 904 . 19 1 1 A 76 76 GLY CA C 76 44.661 45.957 -1.296 1
1 905 . 19 1 1 A 76 76 GLY N N 76 110.555 109.262 1.293 1
1 906 . 19 1 1 A 77 77 PRO HA H 77 4.450 4.417 0.033 1
1 913 . 19 1 1 A 77 77 PRO C C 77 177.458 177.361 0.097 1
1 914 . 19 1 1 A 77 77 PRO CA C 77 63.249 64.122 -0.873 1
1 915 . 19 1 1 A 77 77 PRO CB C 77 32.180 31.699 0.481 1
1 918 . 19 1 1 A 78 78 SER H H 78 8.525 8.356 0.169 1
1 919 . 19 1 1 A 78 78 SER HA H 78 4.471 4.229 0.242 1
1 922 . 19 1 1 A 78 78 SER C C 78 174.648 176.206 -1.558 1
1 923 . 19 1 1 A 78 78 SER CA C 78 58.460 61.438 -2.978 1
1 924 . 19 1 1 A 78 78 SER CB C 78 63.885 62.841 1.044 1
1 925 . 19 1 1 A 78 78 SER N N 78 116.381 114.260 2.121 1
1 926 . 19 1 1 A 79 79 SER H H 79 8.309 8.055 0.254 1
1 927 . 19 1 1 A 79 79 SER HA H 79 4.457 4.228 0.229 1
1 930 . 19 1 1 A 79 79 SER C C 79 173.925 174.998 -1.073 1
1 931 . 19 1 1 A 79 79 SER CA C 79 58.401 59.978 -1.577 1
1 932 . 19 1 1 A 79 79 SER CB C 79 64.132 63.863 0.269 1
1 933 . 19 1 1 A 79 79 SER N N 79 117.741 114.981 2.760 1
1 1 . 20 1 1 A 8 8 GLY HA2 H 8 4.031 4.021 0.010 1
1 2 . 20 1 1 A 8 8 GLY HA3 H 8 4.031 4.021 0.010 1
1 3 . 20 1 1 A 8 8 GLY C C 8 174.729 174.451 0.278 1
1 4 . 20 1 1 A 8 8 GLY CA C 8 45.278 46.074 -0.796 1
1 5 . 20 1 1 A 9 9 THR H H 9 8.248 7.982 0.266 1
1 6 . 20 1 1 A 9 9 THR HA H 9 4.376 3.969 0.407 1
1 11 . 20 1 1 A 9 9 THR C C 9 175.485 174.638 0.847 1
1 12 . 20 1 1 A 9 9 THR CA C 9 61.837 62.672 -0.835 1
1 13 . 20 1 1 A 9 9 THR CB C 9 69.737 66.588 3.149 1
1 15 . 20 1 1 A 9 9 THR N N 9 112.908 110.271 2.637 1
1 16 . 20 1 1 A 10 10 GLY H H 10 8.581 8.218 0.363 1
1 17 . 20 1 1 A 10 10 GLY HA2 H 10 3.985 3.896 0.089 1
1 18 . 20 1 1 A 10 10 GLY HA3 H 10 3.985 3.896 0.089 1
1 19 . 20 1 1 A 10 10 GLY C C 10 174.705 174.003 0.702 1
1 20 . 20 1 1 A 10 10 GLY CA C 10 45.455 46.501 -1.046 1
1 21 . 20 1 1 A 10 10 GLY N N 10 111.487 107.955 3.532 1
1 22 . 20 1 1 A 11 11 GLY H H 11 8.286 7.408 0.878 1
1 23 . 20 1 1 A 11 11 GLY HA2 H 11 3.958 4.034 -0.076 1
1 24 . 20 1 1 A 11 11 GLY HA3 H 11 3.958 4.034 -0.076 1
1 25 . 20 1 1 A 11 11 GLY C C 11 174.071 171.840 2.231 1
1 26 . 20 1 1 A 11 11 GLY CA C 11 45.101 45.576 -0.475 1
1 27 . 20 1 1 A 11 11 GLY N N 11 108.887 108.193 0.694 1
1 28 . 20 1 1 A 12 12 GLU H H 12 8.333 8.569 -0.236 1
1 29 . 20 1 1 A 12 12 GLU HA H 12 4.271 4.627 -0.356 1
1 34 . 20 1 1 A 12 12 GLU C C 12 176.435 175.783 0.652 1
1 35 . 20 1 1 A 12 12 GLU CA C 12 56.278 56.613 -0.335 1
1 36 . 20 1 1 A 12 12 GLU CB C 12 30.358 30.636 -0.278 1
1 38 . 20 1 1 A 12 12 GLU N N 12 120.407 120.945 -0.538 1
1 39 . 20 1 1 A 13 13 GLU H H 13 8.546 8.950 -0.404 1
1 40 . 20 1 1 A 13 13 GLU HA H 13 4.521 4.865 -0.344 1
1 45 . 20 1 1 A 13 13 GLU C C 13 174.648 173.092 1.556 1
1 46 . 20 1 1 A 13 13 GLU CA C 13 54.687 54.259 0.428 1
1 47 . 20 1 1 A 13 13 GLU CB C 13 29.688 32.315 -2.627 1
1 49 . 20 1 1 A 13 13 GLU N N 13 123.832 123.312 0.520 1
1 50 . 20 1 1 A 14 14 PRO HA H 14 4.375 4.724 -0.349 1
1 57 . 20 1 1 A 14 14 PRO C C 14 177.117 176.890 0.227 1
1 58 . 20 1 1 A 14 14 PRO CA C 14 63.379 63.087 0.292 1
1 59 . 20 1 1 A 14 14 PRO CB C 14 32.003 32.044 -0.041 1
1 62 . 20 1 1 A 15 15 GLN H H 15 8.543 8.257 0.286 1
1 63 . 20 1 1 A 15 15 GLN HA H 15 4.230 4.487 -0.257 1
1 70 . 20 1 1 A 15 15 GLN C C 15 176.459 175.649 0.810 1
1 71 . 20 1 1 A 15 15 GLN CA C 15 56.171 54.629 1.542 1
1 72 . 20 1 1 A 15 15 GLN CB C 15 28.935 29.462 -0.527 1
1 74 . 20 1 1 A 15 15 GLN N N 15 120.153 118.933 1.220 1
1 76 . 20 1 1 A 16 16 ARG H H 16 8.337 8.457 -0.120 1
1 77 . 20 1 1 A 16 16 ARG HA H 16 4.219 4.181 0.038 1
1 84 . 20 1 1 A 16 16 ARG C C 16 176.216 175.836 0.380 1
1 85 . 20 1 1 A 16 16 ARG CA C 16 56.809 56.303 0.506 1
1 86 . 20 1 1 A 16 16 ARG CB C 16 30.666 30.890 -0.224 1
1 89 . 20 1 1 A 16 16 ARG N N 16 122.090 119.434 2.656 1
1 90 . 20 1 1 A 17 17 ASP H H 17 8.313 8.715 -0.402 1
1 91 . 20 1 1 A 17 17 ASP HA H 17 4.523 5.288 -0.765 1
1 94 . 20 1 1 A 17 17 ASP C C 17 176.727 174.938 1.789 1
1 95 . 20 1 1 A 17 17 ASP CA C 17 54.591 53.473 1.118 1
1 96 . 20 1 1 A 17 17 ASP CB C 17 41.097 43.369 -2.272 1
1 97 . 20 1 1 A 17 17 ASP N N 17 120.664 119.295 1.369 1
1 98 . 20 1 1 A 18 18 LYS H H 18 8.276 8.677 -0.401 1
1 99 . 20 1 1 A 18 18 LYS HA H 18 4.175 4.574 -0.399 1
1 108 . 20 1 1 A 18 18 LYS C C 18 176.971 176.887 0.084 1
1 109 . 20 1 1 A 18 18 LYS CA C 18 56.971 55.885 1.086 1
1 110 . 20 1 1 A 18 18 LYS CB C 18 32.562 32.073 0.489 1
1 114 . 20 1 1 A 18 18 LYS N N 18 122.504 122.881 -0.377 1
1 115 . 20 1 1 A 19 19 ARG H H 19 8.240 7.657 0.583 1
1 116 . 20 1 1 A 19 19 ARG HA H 19 4.205 4.454 -0.249 1
1 123 . 20 1 1 A 19 19 ARG C C 19 176.532 176.453 0.079 1
1 124 . 20 1 1 A 19 19 ARG CA C 19 56.632 57.301 -0.669 1
1 125 . 20 1 1 A 19 19 ARG CB C 19 30.647 31.134 -0.487 1
1 128 . 20 1 1 A 19 19 ARG N N 19 120.296 119.236 1.060 1
1 129 . 20 1 1 A 20 20 LEU H H 20 8.068 7.263 0.805 1
1 130 . 20 1 1 A 20 20 LEU HA H 20 4.262 4.095 0.167 1
1 140 . 20 1 1 A 20 20 LEU C C 20 177.288 176.298 0.990 1
1 141 . 20 1 1 A 20 20 LEU CA C 20 55.110 55.771 -0.661 1
1 142 . 20 1 1 A 20 20 LEU CB C 20 42.081 42.104 -0.023 1
1 146 . 20 1 1 A 20 20 LEU N N 20 121.867 123.118 -1.251 1
1 147 . 20 1 1 A 21 21 ARG H H 21 8.226 8.937 -0.711 1
1 148 . 20 1 1 A 21 21 ARG HA H 21 4.413 4.615 -0.202 1
1 155 . 20 1 1 A 21 21 ARG C C 21 176.313 177.475 -1.162 1
1 156 . 20 1 1 A 21 21 ARG CA C 21 56.194 54.413 1.781 1
1 157 . 20 1 1 A 21 21 ARG CB C 21 30.996 32.263 -1.267 1
1 160 . 20 1 1 A 21 21 ARG N N 21 121.612 124.952 -3.340 1
1 161 . 20 1 1 A 22 22 THR H H 22 8.215 8.724 -0.509 1
1 162 . 20 1 1 A 22 22 THR HA H 22 4.405 4.155 0.250 1
1 167 . 20 1 1 A 22 22 THR C C 22 174.169 175.211 -1.042 1
1 168 . 20 1 1 A 22 22 THR CA C 22 61.963 66.534 -4.571 1
1 169 . 20 1 1 A 22 22 THR CB C 22 69.779 69.112 0.667 1
1 171 . 20 1 1 A 22 22 THR N N 22 114.661 115.313 -0.652 1
1 172 . 20 1 1 A 23 23 THR H H 23 8.087 7.456 0.631 1
1 173 . 20 1 1 A 23 23 THR HA H 23 4.308 4.288 0.020 1
1 178 . 20 1 1 A 23 23 THR C C 23 173.413 173.955 -0.542 1
1 179 . 20 1 1 A 23 23 THR CA C 23 62.158 62.375 -0.217 1
1 180 . 20 1 1 A 23 23 THR CB C 23 69.916 70.183 -0.267 1
1 182 . 20 1 1 A 23 23 THR N N 23 118.008 112.618 5.390 1
1 183 . 20 1 1 A 24 24 ILE H H 24 8.110 8.720 -0.610 1
1 184 . 20 1 1 A 24 24 ILE HA H 24 4.200 4.967 -0.767 1
1 194 . 20 1 1 A 24 24 ILE C C 24 176.654 175.732 0.922 1
1 195 . 20 1 1 A 24 24 ILE CA C 24 61.690 59.907 1.783 1
1 196 . 20 1 1 A 24 24 ILE CB C 24 39.487 41.698 -2.211 1
1 200 . 20 1 1 A 24 24 ILE N N 24 124.852 120.780 4.072 1
1 201 . 20 1 1 A 25 25 THR H H 25 9.023 8.409 0.614 1
1 202 . 20 1 1 A 25 25 THR HA H 25 4.564 4.983 -0.419 1
1 207 . 20 1 1 A 25 25 THR C C 25 173.433 174.323 -0.890 1
1 208 . 20 1 1 A 25 25 THR CA C 25 60.759 58.604 2.155 1
1 209 . 20 1 1 A 25 25 THR CB C 25 68.089 69.732 -1.643 1
1 211 . 20 1 1 A 25 25 THR N N 25 120.568 115.715 4.853 1
1 212 . 20 1 1 A 26 26 PRO HA H 26 4.172 4.563 -0.391 1
1 219 . 20 1 1 A 26 26 PRO C C 26 179.237 177.403 1.834 1
1 220 . 20 1 1 A 26 26 PRO CA C 26 65.917 64.567 1.350 1
1 221 . 20 1 1 A 26 26 PRO CB C 26 31.725 31.739 -0.014 1
1 224 . 20 1 1 A 27 27 GLU H H 27 8.722 8.460 0.262 1
1 225 . 20 1 1 A 27 27 GLU HA H 27 4.006 4.250 -0.244 1
1 230 . 20 1 1 A 27 27 GLU C C 27 179.749 178.055 1.694 1
1 231 . 20 1 1 A 27 27 GLU CA C 27 60.353 57.640 2.713 1
1 232 . 20 1 1 A 27 27 GLU CB C 27 28.851 29.956 -1.105 1
1 234 . 20 1 1 A 27 27 GLU N N 27 117.087 117.351 -0.264 1
1 235 . 20 1 1 A 28 28 GLN H H 28 7.666 7.995 -0.329 1
1 236 . 20 1 1 A 28 28 GLN HA H 28 3.767 4.101 -0.334 1
1 243 . 20 1 1 A 28 28 GLN C C 28 177.872 178.224 -0.352 1
1 244 . 20 1 1 A 28 28 GLN CA C 28 58.821 58.134 0.687 1
1 245 . 20 1 1 A 28 28 GLN CB C 28 29.401 28.757 0.644 1
1 247 . 20 1 1 A 28 28 GLN N N 28 119.298 119.046 0.252 1
1 249 . 20 1 1 A 29 29 LEU H H 29 8.453 7.973 0.480 1
1 250 . 20 1 1 A 29 29 LEU HA H 29 3.484 3.565 -0.081 1
1 260 . 20 1 1 A 29 29 LEU C C 29 178.092 178.686 -0.594 1
1 261 . 20 1 1 A 29 29 LEU CA C 29 57.737 57.591 0.146 1
1 262 . 20 1 1 A 29 29 LEU CB C 29 41.578 41.657 -0.079 1
1 266 . 20 1 1 A 29 29 LEU N N 29 120.145 120.408 -0.263 1
1 267 . 20 1 1 A 30 30 GLU H H 30 7.607 8.344 -0.737 1
1 268 . 20 1 1 A 30 30 GLU HA H 30 4.069 4.124 -0.055 1
1 273 . 20 1 1 A 30 30 GLU C C 30 179.140 179.388 -0.248 1
1 274 . 20 1 1 A 30 30 GLU CA C 30 59.334 59.692 -0.358 1
1 275 . 20 1 1 A 30 30 GLU CB C 30 29.512 29.368 0.144 1
1 277 . 20 1 1 A 30 30 GLU N N 30 116.903 116.595 0.308 1
1 278 . 20 1 1 A 31 31 ILE H H 31 7.070 8.045 -0.975 1
1 279 . 20 1 1 A 31 31 ILE HA H 31 3.692 3.669 0.023 1
1 289 . 20 1 1 A 31 31 ILE C C 31 178.287 178.581 -0.294 1
1 290 . 20 1 1 A 31 31 ILE CA C 31 64.416 65.710 -1.294 1
1 291 . 20 1 1 A 31 31 ILE CB C 31 37.777 37.887 -0.110 1
1 295 . 20 1 1 A 31 31 ILE N N 31 118.947 120.836 -1.889 1
1 296 . 20 1 1 A 32 32 LEU H H 32 8.126 8.083 0.043 1
1 297 . 20 1 1 A 32 32 LEU HA H 32 3.418 3.833 -0.415 1
1 307 . 20 1 1 A 32 32 LEU C C 32 178.311 178.951 -0.640 1
1 308 . 20 1 1 A 32 32 LEU CA C 32 58.497 57.856 0.641 1
1 309 . 20 1 1 A 32 32 LEU CB C 32 38.146 41.132 -2.986 1
1 313 . 20 1 1 A 32 32 LEU N N 32 120.437 118.799 1.638 1
1 314 . 20 1 1 A 33 33 TYR H H 33 8.312 8.422 -0.110 1
1 315 . 20 1 1 A 33 33 TYR HA H 33 4.358 4.599 -0.241 1
1 322 . 20 1 1 A 33 33 TYR C C 33 178.214 178.626 -0.412 1
1 323 . 20 1 1 A 33 33 TYR CA C 33 62.645 61.016 1.629 1
1 324 . 20 1 1 A 33 33 TYR CB C 33 37.807 38.161 -0.354 1
1 329 . 20 1 1 A 33 33 TYR N N 33 117.248 118.230 -0.982 1
1 330 . 20 1 1 A 34 34 GLN H H 34 7.750 8.516 -0.766 1
1 331 . 20 1 1 A 34 34 GLN HA H 34 3.967 3.900 0.067 1
1 338 . 20 1 1 A 34 34 GLN C C 34 180.065 179.158 0.907 1
1 339 . 20 1 1 A 34 34 GLN CA C 34 59.143 59.477 -0.334 1
1 340 . 20 1 1 A 34 34 GLN CB C 34 27.781 28.973 -1.192 1
1 342 . 20 1 1 A 34 34 GLN N N 34 117.509 118.225 -0.716 1
1 344 . 20 1 1 A 35 35 LYS H H 35 8.381 8.123 0.258 1
1 345 . 20 1 1 A 35 35 LYS HA H 35 4.132 4.230 -0.098 1
1 354 . 20 1 1 A 35 35 LYS C C 35 179.456 178.605 0.851 1
1 355 . 20 1 1 A 35 35 LYS CA C 35 57.839 58.679 -0.840 1
1 356 . 20 1 1 A 35 35 LYS CB C 35 31.487 32.471 -0.984 1
1 360 . 20 1 1 A 35 35 LYS N N 35 117.671 120.299 -2.628 1
1 361 . 20 1 1 A 36 36 TYR H H 36 9.036 8.459 0.577 1
1 362 . 20 1 1 A 36 36 TYR HA H 36 4.164 4.743 -0.579 1
1 369 . 20 1 1 A 36 36 TYR C C 36 176.630 177.442 -0.812 1
1 370 . 20 1 1 A 36 36 TYR CA C 36 61.726 61.427 0.299 1
1 371 . 20 1 1 A 36 36 TYR CB C 36 38.579 38.407 0.172 1
1 376 . 20 1 1 A 36 36 TYR N N 36 124.434 122.932 1.502 1
1 377 . 20 1 1 A 37 37 LEU H H 37 7.848 8.942 -1.094 1
1 378 . 20 1 1 A 37 37 LEU HA H 37 3.918 3.851 0.067 1
1 388 . 20 1 1 A 37 37 LEU C C 37 179.334 179.169 0.165 1
1 389 . 20 1 1 A 37 37 LEU CA C 37 56.827 58.061 -1.234 1
1 390 . 20 1 1 A 37 37 LEU CB C 37 42.069 41.756 0.313 1
1 394 . 20 1 1 A 37 37 LEU N N 37 116.192 120.036 -3.844 1
1 395 . 20 1 1 A 38 38 LEU H H 38 7.230 7.266 -0.036 1
1 396 . 20 1 1 A 38 38 LEU HA H 38 4.150 4.396 -0.246 1
1 406 . 20 1 1 A 38 38 LEU C C 38 178.116 175.966 2.150 1
1 407 . 20 1 1 A 38 38 LEU CA C 38 56.915 56.291 0.624 1
1 408 . 20 1 1 A 38 38 LEU CB C 38 42.336 42.764 -0.428 1
1 412 . 20 1 1 A 38 38 LEU N N 38 118.422 113.218 5.204 1
1 413 . 20 1 1 A 39 39 ASP H H 39 7.543 8.111 -0.568 1
1 414 . 20 1 1 A 39 39 ASP HA H 39 4.364 4.941 -0.577 1
1 417 . 20 1 1 A 39 39 ASP C C 39 174.778 175.802 -1.024 1
1 418 . 20 1 1 A 39 39 ASP CA C 39 54.731 52.978 1.753 1
1 419 . 20 1 1 A 39 39 ASP CB C 39 41.134 42.324 -1.190 1
1 420 . 20 1 1 A 39 39 ASP N N 39 117.417 119.767 -2.350 1
1 421 . 20 1 1 A 40 40 SER H H 40 8.240 8.701 -0.461 1
1 422 . 20 1 1 A 40 40 SER HA H 40 3.984 4.520 -0.536 1
1 425 . 20 1 1 A 40 40 SER C C 40 174.169 174.300 -0.131 1
1 426 . 20 1 1 A 40 40 SER CA C 40 58.825 58.778 0.047 1
1 427 . 20 1 1 A 40 40 SER CB C 40 63.964 63.835 0.129 1
1 428 . 20 1 1 A 40 40 SER N N 40 119.077 121.561 -2.484 1
1 429 . 20 1 1 A 41 41 ASN H H 41 8.711 7.655 1.056 1
1 430 . 20 1 1 A 41 41 ASN HA H 41 5.007 5.246 -0.239 1
1 435 . 20 1 1 A 41 41 ASN C C 41 171.078 172.370 -1.292 1
1 436 . 20 1 1 A 41 41 ASN CA C 41 51.291 50.864 0.427 1
1 437 . 20 1 1 A 41 41 ASN CB C 41 39.815 39.491 0.324 1
1 438 . 20 1 1 A 41 41 ASN N N 41 119.546 119.411 0.135 1
1 440 . 20 1 1 A 42 42 PRO HA H 42 4.408 4.699 -0.291 1
1 447 . 20 1 1 A 42 42 PRO C C 42 177.028 175.753 1.275 1
1 448 . 20 1 1 A 42 42 PRO CA C 42 62.678 62.544 0.134 1
1 449 . 20 1 1 A 42 42 PRO CB C 42 31.869 32.634 -0.765 1
1 452 . 20 1 1 A 43 43 THR H H 43 7.797 8.347 -0.550 1
1 453 . 20 1 1 A 43 43 THR HA H 43 4.205 4.700 -0.495 1
1 458 . 20 1 1 A 43 43 THR C C 43 174.729 175.399 -0.670 1
1 459 . 20 1 1 A 43 43 THR CA C 43 60.690 60.011 0.679 1
1 460 . 20 1 1 A 43 43 THR CB C 43 71.138 70.915 0.223 1
1 462 . 20 1 1 A 43 43 THR N N 43 111.399 116.490 -5.091 1
1 463 . 20 1 1 A 44 44 ARG H H 44 8.718 9.030 -0.312 1
1 464 . 20 1 1 A 44 44 ARG HA H 44 3.863 3.903 -0.040 1
1 471 . 20 1 1 A 44 44 ARG C C 44 178.384 178.563 -0.179 1
1 472 . 20 1 1 A 44 44 ARG CA C 44 60.014 60.036 -0.022 1
1 473 . 20 1 1 A 44 44 ARG CB C 44 29.512 29.850 -0.338 1
1 476 . 20 1 1 A 44 44 ARG N N 44 120.640 127.518 -6.878 1
1 477 . 20 1 1 A 45 45 LYS H H 45 8.142 7.881 0.261 1
1 478 . 20 1 1 A 45 45 LYS HA H 45 4.070 4.042 0.028 1
1 487 . 20 1 1 A 45 45 LYS C C 45 179.334 179.003 0.331 1
1 488 . 20 1 1 A 45 45 LYS CA C 45 59.170 59.373 -0.203 1
1 489 . 20 1 1 A 45 45 LYS CB C 45 32.457 32.160 0.297 1
1 493 . 20 1 1 A 45 45 LYS N N 45 117.851 119.513 -1.662 1
1 494 . 20 1 1 A 46 46 MET H H 46 7.560 8.502 -0.942 1
1 495 . 20 1 1 A 46 46 MET HA H 46 4.329 4.239 0.090 1
1 503 . 20 1 1 A 46 46 MET C C 46 178.774 178.751 0.023 1
1 504 . 20 1 1 A 46 46 MET CA C 46 57.799 58.260 -0.461 1
1 505 . 20 1 1 A 46 46 MET CB C 46 32.210 33.130 -0.920 1
1 508 . 20 1 1 A 46 46 MET N N 46 119.433 118.011 1.422 1
1 509 . 20 1 1 A 47 47 LEU H H 47 8.624 8.228 0.396 1
1 510 . 20 1 1 A 47 47 LEU HA H 47 3.758 3.808 -0.050 1
1 520 . 20 1 1 A 47 47 LEU C C 47 178.701 179.069 -0.368 1
1 521 . 20 1 1 A 47 47 LEU CA C 47 58.648 57.685 0.963 1
1 522 . 20 1 1 A 47 47 LEU CB C 47 42.248 41.247 1.001 1
1 526 . 20 1 1 A 47 47 LEU N N 47 120.980 119.398 1.582 1
1 527 . 20 1 1 A 48 48 ASP H H 48 7.891 8.192 -0.301 1
1 528 . 20 1 1 A 48 48 ASP HA H 48 4.275 4.339 -0.064 1
1 531 . 20 1 1 A 48 48 ASP C C 48 178.798 178.504 0.294 1
1 532 . 20 1 1 A 48 48 ASP CA C 48 57.662 57.287 0.375 1
1 533 . 20 1 1 A 48 48 ASP CB C 48 40.347 41.108 -0.761 1
1 534 . 20 1 1 A 48 48 ASP N N 48 119.025 119.820 -0.795 1
1 535 . 20 1 1 A 49 49 HIS H H 49 7.760 7.617 0.143 1
1 536 . 20 1 1 A 49 49 HIS HA H 49 4.390 4.327 0.063 1
1 540 . 20 1 1 A 49 49 HIS C C 49 178.287 177.176 1.111 1
1 541 . 20 1 1 A 49 49 HIS CA C 49 59.930 60.105 -0.175 1
1 542 . 20 1 1 A 49 49 HIS CB C 49 30.348 30.341 0.007 1
1 544 . 20 1 1 A 49 49 HIS N N 49 120.629 119.123 1.506 1
1 545 . 20 1 1 A 50 50 ILE H H 50 8.934 8.540 0.394 1
1 546 . 20 1 1 A 50 50 ILE HA H 50 3.619 3.622 -0.003 1
1 556 . 20 1 1 A 50 50 ILE C C 50 177.410 178.311 -0.901 1
1 557 . 20 1 1 A 50 50 ILE CA C 50 65.779 65.681 0.098 1
1 558 . 20 1 1 A 50 50 ILE CB C 50 38.622 37.753 0.869 1
1 562 . 20 1 1 A 50 50 ILE N N 50 120.913 120.105 0.808 1
1 563 . 20 1 1 A 51 51 ALA H H 51 8.423 7.761 0.662 1
1 564 . 20 1 1 A 51 51 ALA HA H 51 3.859 4.126 -0.267 1
1 568 . 20 1 1 A 51 51 ALA C C 51 179.213 179.944 -0.731 1
1 569 . 20 1 1 A 51 51 ALA CA C 51 56.348 54.621 1.727 1
1 570 . 20 1 1 A 51 51 ALA CB C 51 17.292 18.123 -0.831 1
1 571 . 20 1 1 A 51 51 ALA N N 51 120.695 120.947 -0.252 1
1 572 . 20 1 1 A 52 52 HIS H H 52 7.735 8.043 -0.308 1
1 573 . 20 1 1 A 52 52 HIS HA H 52 4.273 4.178 0.095 1
1 577 . 20 1 1 A 52 52 HIS C C 52 177.799 177.332 0.467 1
1 578 . 20 1 1 A 52 52 HIS CA C 52 59.406 59.256 0.150 1
1 579 . 20 1 1 A 52 52 HIS CB C 52 29.842 29.532 0.310 1
1 581 . 20 1 1 A 52 52 HIS N N 52 115.822 118.080 -2.258 1
1 582 . 20 1 1 A 53 53 GLU H H 53 8.299 8.360 -0.061 1
1 583 . 20 1 1 A 53 53 GLU HA H 53 3.842 3.873 -0.031 1
1 588 . 20 1 1 A 53 53 GLU C C 53 178.652 178.153 0.499 1
1 589 . 20 1 1 A 53 53 GLU CA C 53 59.434 59.092 0.342 1
1 590 . 20 1 1 A 53 53 GLU CB C 53 30.204 29.180 1.024 1
1 592 . 20 1 1 A 53 53 GLU N N 53 120.073 117.651 2.422 1
1 593 . 20 1 1 A 54 54 VAL H H 54 8.446 7.728 0.718 1
1 594 . 20 1 1 A 54 54 VAL HA H 54 4.150 3.973 0.177 1
1 602 . 20 1 1 A 54 54 VAL C C 54 175.899 176.654 -0.755 1
1 603 . 20 1 1 A 54 54 VAL CA C 54 62.001 63.948 -1.947 1
1 604 . 20 1 1 A 54 54 VAL CB C 54 33.000 31.979 1.021 1
1 607 . 20 1 1 A 54 54 VAL N N 54 112.194 118.558 -6.364 1
1 608 . 20 1 1 A 55 55 GLY H H 55 7.879 8.156 -0.277 1
1 609 . 20 1 1 A 55 55 GLY HA2 H 55 3.975 3.876 0.099 1
1 610 . 20 1 1 A 55 55 GLY HA3 H 55 3.814 3.896 -0.082 1
1 611 . 20 1 1 A 55 55 GLY C C 55 174.461 174.053 0.408 1
1 612 . 20 1 1 A 55 55 GLY CA C 55 46.551 46.360 0.191 1
1 613 . 20 1 1 A 55 55 GLY N N 55 111.306 109.765 1.541 1
1 614 . 20 1 1 A 56 56 LEU H H 56 7.766 7.409 0.357 1
1 615 . 20 1 1 A 56 56 LEU HA H 56 4.825 4.839 -0.014 1
1 625 . 20 1 1 A 56 56 LEU C C 56 175.704 175.618 0.086 1
1 626 . 20 1 1 A 56 56 LEU CA C 56 52.223 53.387 -1.164 1
1 627 . 20 1 1 A 56 56 LEU CB C 56 47.913 45.747 2.166 1
1 631 . 20 1 1 A 56 56 LEU N N 56 119.685 121.037 -1.352 1
1 632 . 20 1 1 A 57 57 LYS H H 57 8.268 8.457 -0.189 1
1 633 . 20 1 1 A 57 57 LYS HA H 57 4.212 4.157 0.055 1
1 642 . 20 1 1 A 57 57 LYS C C 57 178.555 177.722 0.833 1
1 643 . 20 1 1 A 57 57 LYS CA C 57 56.375 57.305 -0.930 1
1 644 . 20 1 1 A 57 57 LYS CB C 57 32.750 32.487 0.263 1
1 648 . 20 1 1 A 57 57 LYS N N 57 118.380 125.078 -6.698 1
1 649 . 20 1 1 A 58 58 LYS H H 58 8.853 9.034 -0.181 1
1 650 . 20 1 1 A 58 58 LYS HA H 58 3.670 3.799 -0.129 1
1 659 . 20 1 1 A 58 58 LYS C C 58 178.652 178.162 0.490 1
1 660 . 20 1 1 A 58 58 LYS CA C 58 61.026 60.442 0.584 1
1 661 . 20 1 1 A 58 58 LYS CB C 58 31.655 32.151 -0.496 1
1 665 . 20 1 1 A 58 58 LYS N N 58 123.883 126.039 -2.156 1
1 666 . 20 1 1 A 59 59 ARG H H 59 8.834 7.639 1.195 1
1 667 . 20 1 1 A 59 59 ARG HA H 59 4.120 4.130 -0.010 1
1 674 . 20 1 1 A 59 59 ARG C C 59 177.872 178.830 -0.958 1
1 675 . 20 1 1 A 59 59 ARG CA C 59 58.851 58.931 -0.080 1
1 676 . 20 1 1 A 59 59 ARG CB C 59 29.832 29.734 0.098 1
1 679 . 20 1 1 A 59 59 ARG N N 59 117.315 119.675 -2.360 1
1 680 . 20 1 1 A 60 60 VAL H H 60 6.892 8.098 -1.206 1
1 681 . 20 1 1 A 60 60 VAL HA H 60 3.677 3.788 -0.111 1
1 689 . 20 1 1 A 60 60 VAL C C 60 178.701 178.654 0.047 1
1 690 . 20 1 1 A 60 60 VAL CA C 60 65.741 66.035 -0.294 1
1 691 . 20 1 1 A 60 60 VAL CB C 60 31.520 31.640 -0.120 1
1 694 . 20 1 1 A 60 60 VAL N N 60 117.560 119.543 -1.983 1
1 695 . 20 1 1 A 61 61 VAL H H 61 7.394 8.245 -0.851 1
1 696 . 20 1 1 A 61 61 VAL HA H 61 3.647 3.693 -0.046 1
1 704 . 20 1 1 A 61 61 VAL C C 61 177.385 178.329 -0.944 1
1 705 . 20 1 1 A 61 61 VAL CA C 61 67.232 66.789 0.443 1
1 706 . 20 1 1 A 61 61 VAL CB C 61 32.125 31.581 0.544 1
1 709 . 20 1 1 A 61 61 VAL N N 61 119.625 121.005 -1.380 1
1 710 . 20 1 1 A 62 62 GLN H H 62 8.681 8.423 0.258 1
1 711 . 20 1 1 A 62 62 GLN HA H 62 4.047 3.958 0.089 1
1 718 . 20 1 1 A 62 62 GLN C C 62 178.798 178.655 0.143 1
1 719 . 20 1 1 A 62 62 GLN CA C 62 60.169 58.934 1.235 1
1 720 . 20 1 1 A 62 62 GLN CB C 62 28.935 28.397 0.538 1
1 722 . 20 1 1 A 62 62 GLN N N 62 119.803 120.439 -0.636 1
1 724 . 20 1 1 A 63 63 VAL H H 63 8.279 8.430 -0.151 1
1 725 . 20 1 1 A 63 63 VAL HA H 63 3.703 3.620 0.083 1
1 733 . 20 1 1 A 63 63 VAL C C 63 177.263 178.165 -0.902 1
1 734 . 20 1 1 A 63 63 VAL CA C 63 66.384 66.481 -0.097 1
1 735 . 20 1 1 A 63 63 VAL CB C 63 31.983 31.821 0.162 1
1 738 . 20 1 1 A 63 63 VAL N N 63 120.104 119.117 0.987 1
1 739 . 20 1 1 A 64 64 TRP H H 64 8.376 8.295 0.081 1
1 740 . 20 1 1 A 64 64 TRP HA H 64 4.015 4.198 -0.183 1
1 749 . 20 1 1 A 64 64 TRP C C 64 180.309 178.207 2.102 1
1 750 . 20 1 1 A 64 64 TRP CA C 64 63.421 60.680 2.741 1
1 751 . 20 1 1 A 64 64 TRP CB C 64 28.382 29.866 -1.484 1
1 757 . 20 1 1 A 64 64 TRP N N 64 122.121 121.361 0.760 1
1 759 . 20 1 1 A 65 65 PHE H H 65 9.032 8.160 0.872 1
1 760 . 20 1 1 A 65 65 PHE HA H 65 3.662 4.237 -0.575 1
1 768 . 20 1 1 A 65 65 PHE C C 65 178.214 178.709 -0.495 1
1 769 . 20 1 1 A 65 65 PHE CA C 65 63.919 61.382 2.537 1
1 770 . 20 1 1 A 65 65 PHE CB C 65 39.512 39.399 0.113 1
1 776 . 20 1 1 A 65 65 PHE N N 65 120.975 116.944 4.031 1
1 777 . 20 1 1 A 66 66 GLN H H 66 8.021 8.174 -0.153 1
1 778 . 20 1 1 A 66 66 GLN HA H 66 3.957 4.068 -0.111 1
1 785 . 20 1 1 A 66 66 GLN C C 66 179.066 177.898 1.168 1
1 786 . 20 1 1 A 66 66 GLN CA C 66 59.426 58.723 0.703 1
1 787 . 20 1 1 A 66 66 GLN CB C 66 28.536 28.039 0.497 1
1 789 . 20 1 1 A 66 66 GLN N N 66 117.887 116.973 0.914 1
1 791 . 20 1 1 A 67 67 ASN H H 67 8.807 8.216 0.591 1
1 792 . 20 1 1 A 67 67 ASN HA H 67 4.331 4.498 -0.167 1
1 797 . 20 1 1 A 67 67 ASN C C 67 177.775 177.715 0.060 1
1 798 . 20 1 1 A 67 67 ASN CA C 67 55.461 56.062 -0.601 1
1 799 . 20 1 1 A 67 67 ASN CB C 67 37.718 38.324 -0.606 1
1 800 . 20 1 1 A 67 67 ASN N N 67 119.312 118.511 0.801 1
1 802 . 20 1 1 A 68 68 THR H H 68 8.092 7.463 0.629 1
1 803 . 20 1 1 A 68 68 THR HA H 68 3.262 3.512 -0.250 1
1 808 . 20 1 1 A 68 68 THR C C 68 175.972 176.322 -0.350 1
1 809 . 20 1 1 A 68 68 THR CA C 68 66.903 66.760 0.143 1
1 810 . 20 1 1 A 68 68 THR CB C 68 67.800 67.585 0.215 1
1 812 . 20 1 1 A 68 68 THR N N 68 120.500 117.078 3.422 1
1 813 . 20 1 1 A 69 69 ARG H H 69 8.154 7.853 0.301 1
1 814 . 20 1 1 A 69 69 ARG HA H 69 4.362 4.240 0.122 1
1 821 . 20 1 1 A 69 69 ARG C C 69 179.432 178.412 1.020 1
1 822 . 20 1 1 A 69 69 ARG CA C 69 59.805 59.864 -0.059 1
1 823 . 20 1 1 A 69 69 ARG CB C 69 31.490 30.275 1.215 1
1 826 . 20 1 1 A 69 69 ARG N N 69 121.451 120.301 1.150 1
1 827 . 20 1 1 A 70 70 ALA H H 70 7.686 7.741 -0.055 1
1 828 . 20 1 1 A 70 70 ALA HA H 70 4.107 4.086 0.021 1
1 832 . 20 1 1 A 70 70 ALA C C 70 179.724 179.541 0.183 1
1 833 . 20 1 1 A 70 70 ALA CA C 70 54.512 55.309 -0.797 1
1 834 . 20 1 1 A 70 70 ALA CB C 70 18.187 18.105 0.082 1
1 835 . 20 1 1 A 70 70 ALA N N 70 119.887 121.934 -2.047 1
1 836 . 20 1 1 A 71 71 ARG H H 71 7.588 7.763 -0.175 1
1 837 . 20 1 1 A 71 71 ARG HA H 71 4.073 4.042 0.031 1
1 844 . 20 1 1 A 71 71 ARG C C 71 177.775 178.314 -0.539 1
1 845 . 20 1 1 A 71 71 ARG CA C 71 57.849 58.461 -0.612 1
1 846 . 20 1 1 A 71 71 ARG CB C 71 30.419 29.782 0.637 1
1 849 . 20 1 1 A 71 71 ARG N N 71 117.554 116.935 0.619 1
1 850 . 20 1 1 A 72 72 GLU H H 72 7.776 8.775 -0.999 1
1 851 . 20 1 1 A 72 72 GLU HA H 72 4.129 4.105 0.024 1
1 856 . 20 1 1 A 72 72 GLU C C 72 177.190 179.201 -2.011 1
1 857 . 20 1 1 A 72 72 GLU CA C 72 57.625 59.066 -1.441 1
1 858 . 20 1 1 A 72 72 GLU CB C 72 29.815 29.296 0.519 1
1 860 . 20 1 1 A 72 72 GLU N N 72 119.019 118.596 0.423 1
1 861 . 20 1 1 A 73 73 ARG H H 73 7.956 7.476 0.480 1
1 862 . 20 1 1 A 73 73 ARG HA H 73 4.228 4.267 -0.039 1
1 869 . 20 1 1 A 73 73 ARG C C 73 176.581 176.881 -0.300 1
1 870 . 20 1 1 A 73 73 ARG CA C 73 56.773 58.923 -2.150 1
1 871 . 20 1 1 A 73 73 ARG CB C 73 30.254 30.299 -0.045 1
1 874 . 20 1 1 A 73 73 ARG N N 73 119.948 118.674 1.274 1
1 875 . 20 1 1 A 74 74 LYS H H 74 8.155 7.225 0.930 1
1 876 . 20 1 1 A 74 74 LYS HA H 74 4.329 4.093 0.236 1
1 885 . 20 1 1 A 74 74 LYS C C 74 176.703 176.170 0.533 1
1 886 . 20 1 1 A 74 74 LYS CA C 74 56.458 57.196 -0.738 1
1 887 . 20 1 1 A 74 74 LYS CB C 74 32.825 33.152 -0.327 1
1 891 . 20 1 1 A 74 74 LYS N N 74 121.577 121.202 0.375 1
1 892 . 20 1 1 A 75 75 SER H H 75 8.246 8.595 -0.349 1
1 893 . 20 1 1 A 75 75 SER HA H 75 4.474 4.881 -0.407 1
1 896 . 20 1 1 A 75 75 SER C C 75 174.486 174.577 -0.091 1
1 897 . 20 1 1 A 75 75 SER CA C 75 58.365 57.806 0.559 1
1 898 . 20 1 1 A 75 75 SER CB C 75 63.967 64.014 -0.047 1
1 899 . 20 1 1 A 75 75 SER N N 75 116.340 123.145 -6.805 1
1 900 . 20 1 1 A 76 76 GLY H H 76 8.205 8.569 -0.364 1
1 901 . 20 1 1 A 76 76 GLY HA2 H 76 4.118 4.075 0.043 1
1 902 . 20 1 1 A 76 76 GLY HA3 H 76 4.118 4.075 0.043 1
1 903 . 20 1 1 A 76 76 GLY C C 76 171.758 174.434 -2.676 1
1 904 . 20 1 1 A 76 76 GLY CA C 76 44.661 44.322 0.339 1
1 905 . 20 1 1 A 76 76 GLY N N 76 110.555 112.579 -2.024 1
1 906 . 20 1 1 A 77 77 PRO HA H 77 4.450 4.460 -0.010 1
1 913 . 20 1 1 A 77 77 PRO C C 77 177.458 175.423 2.035 1
1 914 . 20 1 1 A 77 77 PRO CA C 77 63.249 63.882 -0.633 1
1 915 . 20 1 1 A 77 77 PRO CB C 77 32.180 31.700 0.480 1
1 918 . 20 1 1 A 78 78 SER H H 78 8.525 7.595 0.930 1
1 919 . 20 1 1 A 78 78 SER HA H 78 4.471 4.722 -0.251 1
1 922 . 20 1 1 A 78 78 SER C C 78 174.648 173.746 0.902 1
1 923 . 20 1 1 A 78 78 SER CA C 78 58.460 56.515 1.945 1
1 924 . 20 1 1 A 78 78 SER CB C 78 63.885 65.887 -2.002 1
1 925 . 20 1 1 A 78 78 SER N N 78 116.381 112.116 4.265 1
1 926 . 20 1 1 A 79 79 SER H H 79 8.309 8.516 -0.207 1
1 927 . 20 1 1 A 79 79 SER HA H 79 4.457 5.047 -0.590 1
1 930 . 20 1 1 A 79 79 SER C C 79 173.925 173.742 0.183 1
1 931 . 20 1 1 A 79 79 SER CA C 79 58.401 57.146 1.255 1
1 932 . 20 1 1 A 79 79 SER CB C 79 64.132 64.179 -0.047 1
1 933 . 20 1 1 A 79 79 SER N N 79 117.741 118.644 -0.903 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 72 1.146 1
2 1 1 1 "RMS(OBS, PRED)" CA 72 1.294 1
3 1 1 1 "RMS(OBS, PRED)" CB 67 1.149 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.524 1
5 1 1 1 "RMS(OBS, PRED)" HA 77 0.291 1
6 1 1 1 "RMS(OBS, PRED)" N 67 2.726 1
7 1 2 1 "RMS(OBS, PRED)" C 72 1.135 1
8 1 2 1 "RMS(OBS, PRED)" CA 72 1.421 1
9 1 2 1 "RMS(OBS, PRED)" CB 67 1.162 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.523 1
11 1 2 1 "RMS(OBS, PRED)" HA 77 0.295 1
12 1 2 1 "RMS(OBS, PRED)" N 67 2.767 1
13 1 3 1 "RMS(OBS, PRED)" C 72 1.073 1
14 1 3 1 "RMS(OBS, PRED)" CA 72 1.255 1
15 1 3 1 "RMS(OBS, PRED)" CB 67 1.381 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.557 1
17 1 3 1 "RMS(OBS, PRED)" HA 77 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 67 2.672 1
19 1 4 1 "RMS(OBS, PRED)" C 72 1.112 1
20 1 4 1 "RMS(OBS, PRED)" CA 72 1.426 1
21 1 4 1 "RMS(OBS, PRED)" CB 67 1.178 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.530 1
23 1 4 1 "RMS(OBS, PRED)" HA 77 0.309 1
24 1 4 1 "RMS(OBS, PRED)" N 67 2.849 1
25 1 5 1 "RMS(OBS, PRED)" C 72 0.957 1
26 1 5 1 "RMS(OBS, PRED)" CA 72 1.238 1
27 1 5 1 "RMS(OBS, PRED)" CB 67 1.063 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.538 1
29 1 5 1 "RMS(OBS, PRED)" HA 77 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 67 2.515 1
31 1 6 1 "RMS(OBS, PRED)" C 72 1.108 1
32 1 6 1 "RMS(OBS, PRED)" CA 72 1.398 1
33 1 6 1 "RMS(OBS, PRED)" CB 67 1.126 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.560 1
35 1 6 1 "RMS(OBS, PRED)" HA 77 0.309 1
36 1 6 1 "RMS(OBS, PRED)" N 67 2.884 1
37 1 7 1 "RMS(OBS, PRED)" C 72 1.063 1
38 1 7 1 "RMS(OBS, PRED)" CA 72 1.232 1
39 1 7 1 "RMS(OBS, PRED)" CB 67 1.366 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.523 1
41 1 7 1 "RMS(OBS, PRED)" HA 77 0.323 1
42 1 7 1 "RMS(OBS, PRED)" N 67 2.668 1
43 1 8 1 "RMS(OBS, PRED)" C 72 1.068 1
44 1 8 1 "RMS(OBS, PRED)" CA 72 1.226 1
45 1 8 1 "RMS(OBS, PRED)" CB 67 1.113 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.529 1
47 1 8 1 "RMS(OBS, PRED)" HA 77 0.298 1
48 1 8 1 "RMS(OBS, PRED)" N 67 2.675 1
49 1 9 1 "RMS(OBS, PRED)" C 72 0.991 1
50 1 9 1 "RMS(OBS, PRED)" CA 72 1.428 1
51 1 9 1 "RMS(OBS, PRED)" CB 67 1.009 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.540 1
53 1 9 1 "RMS(OBS, PRED)" HA 77 0.289 1
54 1 9 1 "RMS(OBS, PRED)" N 67 2.897 1
55 1 10 1 "RMS(OBS, PRED)" C 72 0.972 1
56 1 10 1 "RMS(OBS, PRED)" CA 72 1.163 1
57 1 10 1 "RMS(OBS, PRED)" CB 67 1.179 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.534 1
59 1 10 1 "RMS(OBS, PRED)" HA 77 0.280 1
60 1 10 1 "RMS(OBS, PRED)" N 67 2.662 1
61 1 11 1 "RMS(OBS, PRED)" C 72 0.989 1
62 1 11 1 "RMS(OBS, PRED)" CA 72 1.222 1
63 1 11 1 "RMS(OBS, PRED)" CB 67 1.238 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.555 1
65 1 11 1 "RMS(OBS, PRED)" HA 77 0.329 1
66 1 11 1 "RMS(OBS, PRED)" N 67 2.927 1
67 1 12 1 "RMS(OBS, PRED)" C 72 1.052 1
68 1 12 1 "RMS(OBS, PRED)" CA 72 1.233 1
69 1 12 1 "RMS(OBS, PRED)" CB 67 0.997 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.501 1
71 1 12 1 "RMS(OBS, PRED)" HA 77 0.300 1
72 1 12 1 "RMS(OBS, PRED)" N 67 2.769 1
73 1 13 1 "RMS(OBS, PRED)" C 72 1.035 1
74 1 13 1 "RMS(OBS, PRED)" CA 72 1.231 1
75 1 13 1 "RMS(OBS, PRED)" CB 67 1.254 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.533 1
77 1 13 1 "RMS(OBS, PRED)" HA 77 0.291 1
78 1 13 1 "RMS(OBS, PRED)" N 67 2.866 1
79 1 14 1 "RMS(OBS, PRED)" C 72 0.965 1
80 1 14 1 "RMS(OBS, PRED)" CA 72 1.341 1
81 1 14 1 "RMS(OBS, PRED)" CB 67 1.066 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.543 1
83 1 14 1 "RMS(OBS, PRED)" HA 77 0.284 1
84 1 14 1 "RMS(OBS, PRED)" N 67 2.777 1
85 1 15 1 "RMS(OBS, PRED)" C 72 1.043 1
86 1 15 1 "RMS(OBS, PRED)" CA 72 1.318 1
87 1 15 1 "RMS(OBS, PRED)" CB 67 1.060 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.534 1
89 1 15 1 "RMS(OBS, PRED)" HA 77 0.264 1
90 1 15 1 "RMS(OBS, PRED)" N 67 2.767 1
91 1 16 1 "RMS(OBS, PRED)" C 72 1.020 1
92 1 16 1 "RMS(OBS, PRED)" CA 72 1.435 1
93 1 16 1 "RMS(OBS, PRED)" CB 67 1.071 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.524 1
95 1 16 1 "RMS(OBS, PRED)" HA 77 0.287 1
96 1 16 1 "RMS(OBS, PRED)" N 67 2.829 1
97 1 17 1 "RMS(OBS, PRED)" C 72 0.977 1
98 1 17 1 "RMS(OBS, PRED)" CA 72 1.293 1
99 1 17 1 "RMS(OBS, PRED)" CB 67 1.219 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.529 1
101 1 17 1 "RMS(OBS, PRED)" HA 77 0.315 1
102 1 17 1 "RMS(OBS, PRED)" N 67 2.615 1
103 1 18 1 "RMS(OBS, PRED)" C 72 0.954 1
104 1 18 1 "RMS(OBS, PRED)" CA 72 1.365 1
105 1 18 1 "RMS(OBS, PRED)" CB 67 1.173 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.546 1
107 1 18 1 "RMS(OBS, PRED)" HA 77 0.301 1
108 1 18 1 "RMS(OBS, PRED)" N 67 2.727 1
109 1 19 1 "RMS(OBS, PRED)" C 72 1.105 1
110 1 19 1 "RMS(OBS, PRED)" CA 72 1.373 1
111 1 19 1 "RMS(OBS, PRED)" CB 67 1.144 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.549 1
113 1 19 1 "RMS(OBS, PRED)" HA 77 0.330 1
114 1 19 1 "RMS(OBS, PRED)" N 67 2.948 1
115 1 20 1 "RMS(OBS, PRED)" C 72 0.989 1
116 1 20 1 "RMS(OBS, PRED)" CA 72 1.210 1
117 1 20 1 "RMS(OBS, PRED)" CB 67 1.026 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.577 1
119 1 20 1 "RMS(OBS, PRED)" HA 77 0.272 1
120 1 20 1 "RMS(OBS, PRED)" N 67 2.737 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 8 8 GLY HA2 H 8 4.031 4.136 -0.105 2
1 2 . 1 1 A 8 8 GLY HA3 H 8 4.031 4.136 -0.105 2
1 3 . 1 1 A 8 8 GLY C C 8 174.729 173.364 1.365 2
1 4 . 1 1 A 8 8 GLY CA C 8 45.278 45.616 -0.338 2
1 5 . 1 1 A 9 9 THR H H 9 8.248 8.322 -0.074 2
1 6 . 1 1 A 9 9 THR HA H 9 4.376 4.592 -0.216 2
1 11 . 1 1 A 9 9 THR C C 9 175.485 174.373 1.112 2
1 12 . 1 1 A 9 9 THR CA C 9 61.837 61.758 0.079 2
1 13 . 1 1 A 9 9 THR CB C 9 69.737 70.101 -0.364 2
1 15 . 1 1 A 9 9 THR N N 9 112.908 115.696 -2.788 2
1 16 . 1 1 A 10 10 GLY H H 10 8.581 8.327 0.254 2
1 17 . 1 1 A 10 10 GLY HA2 H 10 3.985 4.054 -0.069 2
1 18 . 1 1 A 10 10 GLY HA3 H 10 3.985 4.055 -0.070 2
1 19 . 1 1 A 10 10 GLY C C 10 174.705 173.857 0.848 2
1 20 . 1 1 A 10 10 GLY CA C 10 45.455 45.565 -0.110 2
1 21 . 1 1 A 10 10 GLY N N 10 111.487 111.636 -0.149 2
1 22 . 1 1 A 11 11 GLY H H 11 8.286 8.193 0.093 2
1 23 . 1 1 A 11 11 GLY HA2 H 11 3.958 4.113 -0.155 2
1 24 . 1 1 A 11 11 GLY HA3 H 11 3.958 4.114 -0.156 2
1 25 . 1 1 A 11 11 GLY C C 11 174.071 172.949 1.122 2
1 26 . 1 1 A 11 11 GLY CA C 11 45.101 45.322 -0.221 2
1 27 . 1 1 A 11 11 GLY N N 11 108.887 108.859 0.028 2
1 28 . 1 1 A 12 12 GLU H H 12 8.333 8.367 -0.034 2
1 29 . 1 1 A 12 12 GLU HA H 12 4.271 4.789 -0.518 2
1 34 . 1 1 A 12 12 GLU C C 12 176.435 175.362 1.073 2
1 35 . 1 1 A 12 12 GLU CA C 12 56.278 55.472 0.806 2
1 36 . 1 1 A 12 12 GLU CB C 12 30.358 31.818 -1.460 2
1 38 . 1 1 A 12 12 GLU N N 12 120.407 120.743 -0.336 2
1 39 . 1 1 A 13 13 GLU H H 13 8.546 8.658 -0.112 2
1 40 . 1 1 A 13 13 GLU HA H 13 4.521 4.746 -0.225 2
1 45 . 1 1 A 13 13 GLU C C 13 174.648 174.640 0.008 2
1 46 . 1 1 A 13 13 GLU CA C 13 54.687 53.926 0.761 2
1 47 . 1 1 A 13 13 GLU CB C 13 29.688 31.260 -1.572 2
1 49 . 1 1 A 13 13 GLU N N 13 123.832 122.865 0.967 2
1 50 . 1 1 A 14 14 PRO HA H 14 4.375 4.631 -0.256 2
1 57 . 1 1 A 14 14 PRO C C 14 177.117 176.607 0.509 2
1 58 . 1 1 A 14 14 PRO CA C 14 63.379 62.950 0.429 2
1 59 . 1 1 A 14 14 PRO CB C 14 32.003 32.001 0.002 2
1 62 . 1 1 A 15 15 GLN H H 15 8.543 8.552 -0.009 2
1 63 . 1 1 A 15 15 GLN HA H 15 4.230 4.362 -0.132 2
1 70 . 1 1 A 15 15 GLN C C 15 176.459 175.452 1.007 2
1 71 . 1 1 A 15 15 GLN CA C 15 56.171 56.508 -0.337 2
1 72 . 1 1 A 15 15 GLN CB C 15 28.935 29.316 -0.381 2
1 74 . 1 1 A 15 15 GLN N N 15 120.153 120.716 -0.563 2
1 76 . 1 1 A 16 16 ARG H H 16 8.337 8.302 0.035 2
1 77 . 1 1 A 16 16 ARG HA H 16 4.219 4.634 -0.415 2
1 84 . 1 1 A 16 16 ARG C C 16 176.216 174.881 1.335 2
1 85 . 1 1 A 16 16 ARG CA C 16 56.809 55.577 1.232 2
1 86 . 1 1 A 16 16 ARG CB C 16 30.666 32.146 -1.480 2
1 89 . 1 1 A 16 16 ARG N N 16 122.090 121.773 0.317 2
1 90 . 1 1 A 17 17 ASP H H 17 8.313 8.576 -0.263 2
1 91 . 1 1 A 17 17 ASP HA H 17 4.523 4.870 -0.347 2
1 94 . 1 1 A 17 17 ASP C C 17 176.727 175.745 0.982 2
1 95 . 1 1 A 17 17 ASP CA C 17 54.591 53.879 0.712 2
1 96 . 1 1 A 17 17 ASP CB C 17 41.097 41.999 -0.902 2
1 97 . 1 1 A 17 17 ASP N N 17 120.664 122.682 -2.018 2
1 98 . 1 1 A 18 18 LYS H H 18 8.276 8.620 -0.344 2
1 99 . 1 1 A 18 18 LYS HA H 18 4.175 4.390 -0.215 2
1 108 . 1 1 A 18 18 LYS C C 18 176.971 176.852 0.119 2
1 109 . 1 1 A 18 18 LYS CA C 18 56.971 57.308 -0.337 2
1 110 . 1 1 A 18 18 LYS CB C 18 32.562 33.410 -0.848 2
1 114 . 1 1 A 18 18 LYS N N 18 122.504 122.962 -0.458 2
1 115 . 1 1 A 19 19 ARG H H 19 8.240 7.760 0.480 2
1 116 . 1 1 A 19 19 ARG HA H 19 4.205 4.487 -0.282 2
1 123 . 1 1 A 19 19 ARG C C 19 176.532 175.547 0.985 2
1 124 . 1 1 A 19 19 ARG CA C 19 56.632 56.430 0.202 2
1 125 . 1 1 A 19 19 ARG CB C 19 30.647 31.424 -0.777 2
1 128 . 1 1 A 19 19 ARG N N 19 120.296 119.020 1.276 2
1 129 . 1 1 A 20 20 LEU H H 20 8.068 8.316 -0.248 2
1 130 . 1 1 A 20 20 LEU HA H 20 4.262 4.643 -0.381 2
1 140 . 1 1 A 20 20 LEU C C 20 177.288 175.933 1.355 2
1 141 . 1 1 A 20 20 LEU CA C 20 55.110 54.396 0.714 2
1 142 . 1 1 A 20 20 LEU CB C 20 42.081 43.808 -1.727 2
1 146 . 1 1 A 20 20 LEU N N 20 121.867 124.669 -2.802 2
1 147 . 1 1 A 21 21 ARG H H 21 8.226 8.461 -0.235 2
1 148 . 1 1 A 21 21 ARG HA H 21 4.413 4.698 -0.285 2
1 155 . 1 1 A 21 21 ARG C C 21 176.313 176.825 -0.512 2
1 156 . 1 1 A 21 21 ARG CA C 21 56.194 54.844 1.350 2
1 157 . 1 1 A 21 21 ARG CB C 21 30.996 32.820 -1.824 2
1 160 . 1 1 A 21 21 ARG N N 21 121.612 121.865 -0.253 2
1 161 . 1 1 A 22 22 THR H H 22 8.215 8.640 -0.425 2
1 162 . 1 1 A 22 22 THR HA H 22 4.405 4.148 0.257 2
1 167 . 1 1 A 22 22 THR C C 22 174.169 175.034 -0.865 2
1 168 . 1 1 A 22 22 THR CA C 22 61.963 65.210 -3.247 2
1 169 . 1 1 A 22 22 THR CB C 22 69.779 68.949 0.830 2
1 171 . 1 1 A 22 22 THR N N 22 114.661 116.246 -1.585 2
1 172 . 1 1 A 23 23 THR H H 23 8.087 7.525 0.562 2
1 173 . 1 1 A 23 23 THR HA H 23 4.308 4.398 -0.090 2
1 178 . 1 1 A 23 23 THR C C 23 173.413 173.670 -0.257 2
1 179 . 1 1 A 23 23 THR CA C 23 62.158 61.839 0.319 2
1 180 . 1 1 A 23 23 THR CB C 23 69.916 70.569 -0.653 2
1 182 . 1 1 A 23 23 THR N N 23 118.008 113.424 4.584 2
1 183 . 1 1 A 24 24 ILE H H 24 8.110 8.416 -0.306 2
1 184 . 1 1 A 24 24 ILE HA H 24 4.200 4.999 -0.799 2
1 194 . 1 1 A 24 24 ILE C C 24 176.654 175.752 0.902 2
1 195 . 1 1 A 24 24 ILE CA C 24 61.690 59.734 1.956 2
1 196 . 1 1 A 24 24 ILE CB C 24 39.487 41.432 -1.945 2
1 200 . 1 1 A 24 24 ILE N N 24 124.852 120.911 3.941 2
1 201 . 1 1 A 25 25 THR H H 25 9.023 8.446 0.577 2
1 202 . 1 1 A 25 25 THR HA H 25 4.564 4.974 -0.410 2
1 207 . 1 1 A 25 25 THR C C 25 173.433 174.270 -0.837 2
1 208 . 1 1 A 25 25 THR CA C 25 60.759 58.572 2.187 2
1 209 . 1 1 A 25 25 THR CB C 25 68.089 69.769 -1.680 2
1 211 . 1 1 A 25 25 THR N N 25 120.568 115.736 4.832 2
1 212 . 1 1 A 26 26 PRO HA H 26 4.172 4.566 -0.394 2
1 219 . 1 1 A 26 26 PRO C C 26 179.237 177.376 1.861 2
1 220 . 1 1 A 26 26 PRO CA C 26 65.917 64.491 1.426 2
1 221 . 1 1 A 26 26 PRO CB C 26 31.725 31.729 -0.004 2
1 224 . 1 1 A 27 27 GLU H H 27 8.722 8.457 0.265 2
1 225 . 1 1 A 27 27 GLU HA H 27 4.006 4.265 -0.259 2
1 230 . 1 1 A 27 27 GLU C C 27 179.749 178.028 1.721 2
1 231 . 1 1 A 27 27 GLU CA C 27 60.353 57.580 2.773 2
1 232 . 1 1 A 27 27 GLU CB C 27 28.851 30.014 -1.163 2
1 234 . 1 1 A 27 27 GLU N N 27 117.087 117.454 -0.367 2
1 235 . 1 1 A 28 28 GLN H H 28 7.666 7.897 -0.231 2
1 236 . 1 1 A 28 28 GLN HA H 28 3.767 4.144 -0.377 2
1 243 . 1 1 A 28 28 GLN C C 28 177.872 178.042 -0.170 2
1 244 . 1 1 A 28 28 GLN CA C 28 58.821 58.060 0.761 2
1 245 . 1 1 A 28 28 GLN CB C 28 29.401 28.908 0.493 2
1 247 . 1 1 A 28 28 GLN N N 28 119.298 118.992 0.306 2
1 249 . 1 1 A 29 29 LEU H H 29 8.453 7.982 0.471 2
1 250 . 1 1 A 29 29 LEU HA H 29 3.484 3.565 -0.081 2
1 260 . 1 1 A 29 29 LEU C C 29 178.092 178.696 -0.604 2
1 261 . 1 1 A 29 29 LEU CA C 29 57.737 57.637 0.100 2
1 262 . 1 1 A 29 29 LEU CB C 29 41.578 41.614 -0.036 2
1 266 . 1 1 A 29 29 LEU N N 29 120.145 120.620 -0.475 2
1 267 . 1 1 A 30 30 GLU H H 30 7.607 8.338 -0.731 2
1 268 . 1 1 A 30 30 GLU HA H 30 4.069 4.109 -0.040 2
1 273 . 1 1 A 30 30 GLU C C 30 179.140 179.358 -0.218 2
1 274 . 1 1 A 30 30 GLU CA C 30 59.334 59.693 -0.359 2
1 275 . 1 1 A 30 30 GLU CB C 30 29.512 29.438 0.074 2
1 277 . 1 1 A 30 30 GLU N N 30 116.903 116.578 0.325 2
1 278 . 1 1 A 31 31 ILE H H 31 7.070 7.906 -0.836 2
1 279 . 1 1 A 31 31 ILE HA H 31 3.692 3.675 0.017 2
1 289 . 1 1 A 31 31 ILE C C 31 178.287 178.587 -0.300 2
1 290 . 1 1 A 31 31 ILE CA C 31 64.416 65.790 -1.374 2
1 291 . 1 1 A 31 31 ILE CB C 31 37.777 37.932 -0.155 2
1 295 . 1 1 A 31 31 ILE N N 31 118.947 120.946 -1.999 2
1 296 . 1 1 A 32 32 LEU H H 32 8.126 8.099 0.027 2
1 297 . 1 1 A 32 32 LEU HA H 32 3.418 3.812 -0.394 2
1 307 . 1 1 A 32 32 LEU C C 32 178.311 178.832 -0.521 2
1 308 . 1 1 A 32 32 LEU CA C 32 58.497 57.884 0.613 2
1 309 . 1 1 A 32 32 LEU CB C 32 38.146 41.109 -2.963 2
1 313 . 1 1 A 32 32 LEU N N 32 120.437 118.936 1.501 2
1 314 . 1 1 A 33 33 TYR H H 33 8.312 8.441 -0.129 2
1 315 . 1 1 A 33 33 TYR HA H 33 4.358 4.589 -0.231 2
1 322 . 1 1 A 33 33 TYR C C 33 178.214 178.554 -0.340 2
1 323 . 1 1 A 33 33 TYR CA C 33 62.645 60.980 1.665 2
1 324 . 1 1 A 33 33 TYR CB C 33 37.807 37.995 -0.188 2
1 329 . 1 1 A 33 33 TYR N N 33 117.248 118.035 -0.787 2
1 330 . 1 1 A 34 34 GLN H H 34 7.750 8.610 -0.859 2
1 331 . 1 1 A 34 34 GLN HA H 34 3.967 3.933 0.034 2
1 338 . 1 1 A 34 34 GLN C C 34 180.065 179.118 0.947 2
1 339 . 1 1 A 34 34 GLN CA C 34 59.143 59.429 -0.286 2
1 340 . 1 1 A 34 34 GLN CB C 34 27.781 28.726 -0.945 2
1 342 . 1 1 A 34 34 GLN N N 34 117.509 118.152 -0.643 2
1 344 . 1 1 A 35 35 LYS H H 35 8.381 8.044 0.337 2
1 345 . 1 1 A 35 35 LYS HA H 35 4.132 4.228 -0.096 2
1 354 . 1 1 A 35 35 LYS C C 35 179.456 178.699 0.757 2
1 355 . 1 1 A 35 35 LYS CA C 35 57.839 58.658 -0.819 2
1 356 . 1 1 A 35 35 LYS CB C 35 31.487 32.549 -1.062 2
1 360 . 1 1 A 35 35 LYS N N 35 117.671 120.337 -2.666 2
1 361 . 1 1 A 36 36 TYR H H 36 9.036 8.468 0.568 2
1 362 . 1 1 A 36 36 TYR HA H 36 4.164 4.776 -0.612 2
1 369 . 1 1 A 36 36 TYR C C 36 176.630 177.452 -0.822 2
1 370 . 1 1 A 36 36 TYR CA C 36 61.726 61.459 0.267 2
1 371 . 1 1 A 36 36 TYR CB C 36 38.579 38.450 0.129 2
1 376 . 1 1 A 36 36 TYR N N 36 124.434 123.049 1.385 2
1 377 . 1 1 A 37 37 LEU H H 37 7.848 9.095 -1.247 2
1 378 . 1 1 A 37 37 LEU HA H 37 3.918 3.940 -0.022 2
1 388 . 1 1 A 37 37 LEU C C 37 179.334 179.403 -0.069 2
1 389 . 1 1 A 37 37 LEU CA C 37 56.827 58.117 -1.290 2
1 390 . 1 1 A 37 37 LEU CB C 37 42.069 41.757 0.312 2
1 394 . 1 1 A 37 37 LEU N N 37 116.192 120.179 -3.987 2
1 395 . 1 1 A 38 38 LEU H H 38 7.230 7.337 -0.107 2
1 396 . 1 1 A 38 38 LEU HA H 38 4.150 4.329 -0.179 2
1 406 . 1 1 A 38 38 LEU C C 38 178.116 176.265 1.851 2
1 407 . 1 1 A 38 38 LEU CA C 38 56.915 56.263 0.652 2
1 408 . 1 1 A 38 38 LEU CB C 38 42.336 42.602 -0.266 2
1 412 . 1 1 A 38 38 LEU N N 38 118.422 113.244 5.178 2
1 413 . 1 1 A 39 39 ASP H H 39 7.543 8.095 -0.552 2
1 414 . 1 1 A 39 39 ASP HA H 39 4.364 4.917 -0.553 2
1 417 . 1 1 A 39 39 ASP C C 39 174.778 175.797 -1.019 2
1 418 . 1 1 A 39 39 ASP CA C 39 54.731 53.395 1.336 2
1 419 . 1 1 A 39 39 ASP CB C 39 41.134 42.354 -1.220 2
1 420 . 1 1 A 39 39 ASP N N 39 117.417 119.350 -1.933 2
1 421 . 1 1 A 40 40 SER H H 40 8.240 8.695 -0.455 2
1 422 . 1 1 A 40 40 SER HA H 40 3.984 4.644 -0.660 2
1 425 . 1 1 A 40 40 SER C C 40 174.169 174.643 -0.474 2
1 426 . 1 1 A 40 40 SER CA C 40 58.825 58.439 0.386 2
1 427 . 1 1 A 40 40 SER CB C 40 63.964 63.612 0.352 2
1 428 . 1 1 A 40 40 SER N N 40 119.077 120.628 -1.551 2
1 429 . 1 1 A 41 41 ASN H H 41 8.711 7.927 0.784 2
1 430 . 1 1 A 41 41 ASN HA H 41 5.007 5.218 -0.210 2
1 435 . 1 1 A 41 41 ASN C C 41 171.078 172.535 -1.457 2
1 436 . 1 1 A 41 41 ASN CA C 41 51.291 50.874 0.417 2
1 437 . 1 1 A 41 41 ASN CB C 41 39.815 39.405 0.410 2
1 438 . 1 1 A 41 41 ASN N N 41 119.546 119.076 0.469 2
1 440 . 1 1 A 42 42 PRO HA H 42 4.408 4.663 -0.255 2
1 447 . 1 1 A 42 42 PRO C C 42 177.028 175.761 1.267 2
1 448 . 1 1 A 42 42 PRO CA C 42 62.678 62.486 0.192 2
1 449 . 1 1 A 42 42 PRO CB C 42 31.869 32.697 -0.828 2
1 452 . 1 1 A 43 43 THR H H 43 7.797 8.364 -0.567 2
1 453 . 1 1 A 43 43 THR HA H 43 4.205 4.736 -0.531 2
1 458 . 1 1 A 43 43 THR C C 43 174.729 175.131 -0.402 2
1 459 . 1 1 A 43 43 THR CA C 43 60.690 59.988 0.702 2
1 460 . 1 1 A 43 43 THR CB C 43 71.138 70.948 0.190 2
1 462 . 1 1 A 43 43 THR N N 43 111.399 116.222 -4.823 2
1 463 . 1 1 A 44 44 ARG H H 44 8.718 8.979 -0.261 2
1 464 . 1 1 A 44 44 ARG HA H 44 3.863 3.918 -0.055 2
1 471 . 1 1 A 44 44 ARG C C 44 178.384 178.345 0.039 2
1 472 . 1 1 A 44 44 ARG CA C 44 60.014 59.963 0.051 2
1 473 . 1 1 A 44 44 ARG CB C 44 29.512 29.928 -0.416 2
1 476 . 1 1 A 44 44 ARG N N 44 120.640 127.103 -6.463 2
1 477 . 1 1 A 45 45 LYS H H 45 8.142 7.868 0.274 2
1 478 . 1 1 A 45 45 LYS HA H 45 4.070 4.033 0.037 2
1 487 . 1 1 A 45 45 LYS C C 45 179.334 178.822 0.512 2
1 488 . 1 1 A 45 45 LYS CA C 45 59.170 59.350 -0.180 2
1 489 . 1 1 A 45 45 LYS CB C 45 32.457 32.244 0.213 2
1 493 . 1 1 A 45 45 LYS N N 45 117.851 119.655 -1.804 2
1 494 . 1 1 A 46 46 MET H H 46 7.560 8.219 -0.659 2
1 495 . 1 1 A 46 46 MET HA H 46 4.329 4.167 0.162 2
1 503 . 1 1 A 46 46 MET C C 46 178.774 178.801 -0.027 2
1 504 . 1 1 A 46 46 MET CA C 46 57.799 58.545 -0.746 2
1 505 . 1 1 A 46 46 MET CB C 46 32.210 32.884 -0.674 2
1 508 . 1 1 A 46 46 MET N N 46 119.433 118.237 1.196 2
1 509 . 1 1 A 47 47 LEU H H 47 8.624 8.195 0.429 2
1 510 . 1 1 A 47 47 LEU HA H 47 3.758 3.790 -0.032 2
1 520 . 1 1 A 47 47 LEU C C 47 178.701 178.970 -0.269 2
1 521 . 1 1 A 47 47 LEU CA C 47 58.648 57.936 0.712 2
1 522 . 1 1 A 47 47 LEU CB C 47 42.248 41.455 0.793 2
1 526 . 1 1 A 47 47 LEU N N 47 120.980 119.568 1.412 2
1 527 . 1 1 A 48 48 ASP H H 48 7.891 8.153 -0.262 2
1 528 . 1 1 A 48 48 ASP HA H 48 4.275 4.341 -0.066 2
1 531 . 1 1 A 48 48 ASP C C 48 178.798 178.325 0.473 2
1 532 . 1 1 A 48 48 ASP CA C 48 57.662 57.358 0.304 2
1 533 . 1 1 A 48 48 ASP CB C 48 40.347 41.255 -0.908 2
1 534 . 1 1 A 48 48 ASP N N 48 119.025 119.794 -0.770 2
1 535 . 1 1 A 49 49 HIS H H 49 7.760 7.853 -0.093 2
1 536 . 1 1 A 49 49 HIS HA H 49 4.390 4.270 0.120 2
1 540 . 1 1 A 49 49 HIS C C 49 178.287 177.189 1.098 2
1 541 . 1 1 A 49 49 HIS CA C 49 59.930 60.064 -0.134 2
1 542 . 1 1 A 49 49 HIS CB C 49 30.348 30.184 0.164 2
1 544 . 1 1 A 49 49 HIS N N 49 120.629 119.046 1.583 2
1 545 . 1 1 A 50 50 ILE H H 50 8.934 8.522 0.412 2
1 546 . 1 1 A 50 50 ILE HA H 50 3.619 3.633 -0.014 2
1 556 . 1 1 A 50 50 ILE C C 50 177.410 178.292 -0.882 2
1 557 . 1 1 A 50 50 ILE CA C 50 65.779 65.639 0.140 2
1 558 . 1 1 A 50 50 ILE CB C 50 38.622 37.751 0.871 2
1 562 . 1 1 A 50 50 ILE N N 50 120.913 120.130 0.783 2
1 563 . 1 1 A 51 51 ALA H H 51 8.423 7.992 0.431 2
1 564 . 1 1 A 51 51 ALA HA H 51 3.859 4.133 -0.275 2
1 568 . 1 1 A 51 51 ALA C C 51 179.213 179.850 -0.637 2
1 569 . 1 1 A 51 51 ALA CA C 51 56.348 54.599 1.749 2
1 570 . 1 1 A 51 51 ALA CB C 51 17.292 18.139 -0.847 2
1 571 . 1 1 A 51 51 ALA N N 51 120.695 120.818 -0.123 2
1 572 . 1 1 A 52 52 HIS H H 52 7.735 8.086 -0.351 2
1 573 . 1 1 A 52 52 HIS HA H 52 4.273 4.174 0.099 2
1 577 . 1 1 A 52 52 HIS C C 52 177.799 177.211 0.588 2
1 578 . 1 1 A 52 52 HIS CA C 52 59.406 59.238 0.168 2
1 579 . 1 1 A 52 52 HIS CB C 52 29.842 29.761 0.081 2
1 581 . 1 1 A 52 52 HIS N N 52 115.822 118.130 -2.308 2
1 582 . 1 1 A 53 53 GLU H H 53 8.299 8.361 -0.062 2
1 583 . 1 1 A 53 53 GLU HA H 53 3.842 3.977 -0.135 2
1 588 . 1 1 A 53 53 GLU C C 53 178.652 178.301 0.351 2
1 589 . 1 1 A 53 53 GLU CA C 53 59.434 59.306 0.128 2
1 590 . 1 1 A 53 53 GLU CB C 53 30.204 29.145 1.059 2
1 592 . 1 1 A 53 53 GLU N N 53 120.073 117.722 2.351 2
1 593 . 1 1 A 54 54 VAL H H 54 8.446 7.828 0.618 2
1 594 . 1 1 A 54 54 VAL HA H 54 4.150 3.979 0.171 2
1 602 . 1 1 A 54 54 VAL C C 54 175.899 176.901 -1.002 2
1 603 . 1 1 A 54 54 VAL CA C 54 62.001 64.436 -2.435 2
1 604 . 1 1 A 54 54 VAL CB C 54 33.000 31.756 1.244 2
1 607 . 1 1 A 54 54 VAL N N 54 112.194 118.647 -6.453 2
1 608 . 1 1 A 55 55 GLY H H 55 7.879 8.248 -0.369 2
1 609 . 1 1 A 55 55 GLY HA2 H 55 3.975 3.875 0.100 2
1 610 . 1 1 A 55 55 GLY HA3 H 55 3.814 3.905 -0.091 2
1 611 . 1 1 A 55 55 GLY C C 55 174.461 174.052 0.409 2
1 612 . 1 1 A 55 55 GLY CA C 55 46.551 46.388 0.163 2
1 613 . 1 1 A 55 55 GLY N N 55 111.306 109.731 1.575 2
1 614 . 1 1 A 56 56 LEU H H 56 7.766 7.400 0.366 2
1 615 . 1 1 A 56 56 LEU HA H 56 4.825 4.814 0.011 2
1 625 . 1 1 A 56 56 LEU C C 56 175.704 175.593 0.111 2
1 626 . 1 1 A 56 56 LEU CA C 56 52.223 53.379 -1.156 2
1 627 . 1 1 A 56 56 LEU CB C 56 47.913 45.716 2.197 2
1 631 . 1 1 A 56 56 LEU N N 56 119.685 121.117 -1.432 2
1 632 . 1 1 A 57 57 LYS H H 57 8.268 8.457 -0.189 2
1 633 . 1 1 A 57 57 LYS HA H 57 4.212 4.162 0.050 2
1 642 . 1 1 A 57 57 LYS C C 57 178.555 177.653 0.902 2
1 643 . 1 1 A 57 57 LYS CA C 57 56.375 57.268 -0.893 2
1 644 . 1 1 A 57 57 LYS CB C 57 32.750 32.458 0.292 2
1 648 . 1 1 A 57 57 LYS N N 57 118.380 124.922 -6.542 2
1 649 . 1 1 A 58 58 LYS H H 58 8.853 8.997 -0.144 2
1 650 . 1 1 A 58 58 LYS HA H 58 3.670 3.813 -0.143 2
1 659 . 1 1 A 58 58 LYS C C 58 178.652 178.232 0.420 2
1 660 . 1 1 A 58 58 LYS CA C 58 61.026 60.531 0.495 2
1 661 . 1 1 A 58 58 LYS CB C 58 31.655 32.259 -0.604 2
1 665 . 1 1 A 58 58 LYS N N 58 123.883 126.384 -2.501 2
1 666 . 1 1 A 59 59 ARG H H 59 8.834 7.708 1.126 2
1 667 . 1 1 A 59 59 ARG HA H 59 4.120 4.119 0.001 2
1 674 . 1 1 A 59 59 ARG C C 59 177.872 178.860 -0.988 2
1 675 . 1 1 A 59 59 ARG CA C 59 58.851 58.825 0.026 2
1 676 . 1 1 A 59 59 ARG CB C 59 29.832 29.797 0.035 2
1 679 . 1 1 A 59 59 ARG N N 59 117.315 119.333 -2.018 2
1 680 . 1 1 A 60 60 VAL H H 60 6.892 8.108 -1.216 2
1 681 . 1 1 A 60 60 VAL HA H 60 3.677 3.779 -0.102 2
1 689 . 1 1 A 60 60 VAL C C 60 178.701 178.579 0.122 2
1 690 . 1 1 A 60 60 VAL CA C 60 65.741 66.022 -0.281 2
1 691 . 1 1 A 60 60 VAL CB C 60 31.520 31.634 -0.114 2
1 694 . 1 1 A 60 60 VAL N N 60 117.560 119.707 -2.147 2
1 695 . 1 1 A 61 61 VAL H H 61 7.394 8.134 -0.740 2
1 696 . 1 1 A 61 61 VAL HA H 61 3.647 3.722 -0.075 2
1 704 . 1 1 A 61 61 VAL C C 61 177.385 178.253 -0.868 2
1 705 . 1 1 A 61 61 VAL CA C 61 67.232 66.760 0.472 2
1 706 . 1 1 A 61 61 VAL CB C 61 32.125 31.498 0.627 2
1 709 . 1 1 A 61 61 VAL N N 61 119.625 120.945 -1.320 2
1 710 . 1 1 A 62 62 GLN H H 62 8.681 8.405 0.276 2
1 711 . 1 1 A 62 62 GLN HA H 62 4.047 4.002 0.045 2
1 718 . 1 1 A 62 62 GLN C C 62 178.798 178.526 0.272 2
1 719 . 1 1 A 62 62 GLN CA C 62 60.169 58.959 1.209 2
1 720 . 1 1 A 62 62 GLN CB C 62 28.935 28.517 0.418 2
1 722 . 1 1 A 62 62 GLN N N 62 119.803 120.188 -0.385 2
1 724 . 1 1 A 63 63 VAL H H 63 8.279 8.348 -0.069 2
1 725 . 1 1 A 63 63 VAL HA H 63 3.703 3.710 -0.007 2
1 733 . 1 1 A 63 63 VAL C C 63 177.263 178.153 -0.890 2
1 734 . 1 1 A 63 63 VAL CA C 63 66.384 66.302 0.082 2
1 735 . 1 1 A 63 63 VAL CB C 63 31.983 31.745 0.238 2
1 738 . 1 1 A 63 63 VAL N N 63 120.104 119.284 0.820 2
1 739 . 1 1 A 64 64 TRP H H 64 8.376 8.263 0.113 2
1 740 . 1 1 A 64 64 TRP HA H 64 4.015 4.208 -0.193 2
1 749 . 1 1 A 64 64 TRP C C 64 180.309 178.049 2.260 2
1 750 . 1 1 A 64 64 TRP CA C 64 63.421 60.666 2.755 2
1 751 . 1 1 A 64 64 TRP CB C 64 28.382 29.876 -1.494 2
1 757 . 1 1 A 64 64 TRP N N 64 122.121 121.592 0.529 2
1 759 . 1 1 A 65 65 PHE H H 65 9.032 8.074 0.958 2
1 760 . 1 1 A 65 65 PHE HA H 65 3.662 4.337 -0.675 2
1 768 . 1 1 A 65 65 PHE C C 65 178.214 178.718 -0.504 2
1 769 . 1 1 A 65 65 PHE CA C 65 63.919 61.262 2.657 2
1 770 . 1 1 A 65 65 PHE CB C 65 39.512 39.498 0.014 2
1 776 . 1 1 A 65 65 PHE N N 65 120.975 116.973 4.002 2
1 777 . 1 1 A 66 66 GLN H H 66 8.021 8.088 -0.067 2
1 778 . 1 1 A 66 66 GLN HA H 66 3.957 4.055 -0.098 2
1 785 . 1 1 A 66 66 GLN C C 66 179.066 178.123 0.943 2
1 786 . 1 1 A 66 66 GLN CA C 66 59.426 58.789 0.637 2
1 787 . 1 1 A 66 66 GLN CB C 66 28.536 28.136 0.400 2
1 789 . 1 1 A 66 66 GLN N N 66 117.887 117.135 0.752 2
1 791 . 1 1 A 67 67 ASN H H 67 8.807 8.006 0.801 2
1 792 . 1 1 A 67 67 ASN HA H 67 4.331 4.492 -0.161 2
1 797 . 1 1 A 67 67 ASN C C 67 177.775 177.799 -0.024 2
1 798 . 1 1 A 67 67 ASN CA C 67 55.461 55.934 -0.473 2
1 799 . 1 1 A 67 67 ASN CB C 67 37.718 38.326 -0.608 2
1 800 . 1 1 A 67 67 ASN N N 67 119.312 118.388 0.924 2
1 802 . 1 1 A 68 68 THR H H 68 8.092 7.457 0.635 2
1 803 . 1 1 A 68 68 THR HA H 68 3.262 3.455 -0.194 2
1 808 . 1 1 A 68 68 THR C C 68 175.972 176.284 -0.312 2
1 809 . 1 1 A 68 68 THR CA C 68 66.903 66.752 0.151 2
1 810 . 1 1 A 68 68 THR CB C 68 67.800 67.791 0.008 2
1 812 . 1 1 A 68 68 THR N N 68 120.500 116.657 3.843 2
1 813 . 1 1 A 69 69 ARG H H 69 8.154 8.054 0.100 2
1 814 . 1 1 A 69 69 ARG HA H 69 4.362 4.179 0.183 2
1 821 . 1 1 A 69 69 ARG C C 69 179.432 178.644 0.788 2
1 822 . 1 1 A 69 69 ARG CA C 69 59.805 60.006 -0.201 2
1 823 . 1 1 A 69 69 ARG CB C 69 31.490 30.217 1.273 2
1 826 . 1 1 A 69 69 ARG N N 69 121.451 120.005 1.446 2
1 827 . 1 1 A 70 70 ALA H H 70 7.686 7.821 -0.135 2
1 828 . 1 1 A 70 70 ALA HA H 70 4.107 4.063 0.044 2
1 832 . 1 1 A 70 70 ALA C C 70 179.724 179.923 -0.199 2
1 833 . 1 1 A 70 70 ALA CA C 70 54.512 55.021 -0.509 2
1 834 . 1 1 A 70 70 ALA CB C 70 18.187 18.366 -0.179 2
1 835 . 1 1 A 70 70 ALA N N 70 119.887 121.719 -1.833 2
1 836 . 1 1 A 71 71 ARG H H 71 7.588 7.726 -0.138 2
1 837 . 1 1 A 71 71 ARG HA H 71 4.073 4.038 0.035 2
1 844 . 1 1 A 71 71 ARG C C 71 177.775 178.954 -1.179 2
1 845 . 1 1 A 71 71 ARG CA C 71 57.849 59.412 -1.563 2
1 846 . 1 1 A 71 71 ARG CB C 71 30.419 30.052 0.367 2
1 849 . 1 1 A 71 71 ARG N N 71 117.554 117.346 0.208 2
1 850 . 1 1 A 72 72 GLU H H 72 7.776 8.496 -0.720 2
1 851 . 1 1 A 72 72 GLU HA H 72 4.129 4.055 0.074 2
1 856 . 1 1 A 72 72 GLU C C 72 177.190 179.269 -2.079 2
1 857 . 1 1 A 72 72 GLU CA C 72 57.625 59.191 -1.566 2
1 858 . 1 1 A 72 72 GLU CB C 72 29.815 29.393 0.422 2
1 860 . 1 1 A 72 72 GLU N N 72 119.019 119.469 -0.450 2
1 861 . 1 1 A 73 73 ARG H H 73 7.956 8.169 -0.213 2
1 862 . 1 1 A 73 73 ARG HA H 73 4.228 4.143 0.085 2
1 869 . 1 1 A 73 73 ARG C C 73 176.581 177.153 -0.572 2
1 870 . 1 1 A 73 73 ARG CA C 73 56.773 58.901 -2.128 2
1 871 . 1 1 A 73 73 ARG CB C 73 30.254 29.988 0.266 2
1 874 . 1 1 A 73 73 ARG N N 73 119.948 118.743 1.205 2
1 875 . 1 1 A 74 74 LYS H H 74 8.155 7.667 0.488 2
1 876 . 1 1 A 74 74 LYS HA H 74 4.329 4.151 0.178 2
1 885 . 1 1 A 74 74 LYS C C 74 176.703 176.391 0.312 2
1 886 . 1 1 A 74 74 LYS CA C 74 56.458 57.402 -0.944 2
1 887 . 1 1 A 74 74 LYS CB C 74 32.825 32.635 0.190 2
1 891 . 1 1 A 74 74 LYS N N 74 121.577 121.013 0.564 2
1 892 . 1 1 A 75 75 SER H H 75 8.246 8.303 -0.057 2
1 893 . 1 1 A 75 75 SER HA H 75 4.474 4.680 -0.206 2
1 896 . 1 1 A 75 75 SER C C 75 174.486 174.420 0.066 2
1 897 . 1 1 A 75 75 SER CA C 75 58.365 58.683 -0.318 2
1 898 . 1 1 A 75 75 SER CB C 75 63.967 64.126 -0.159 2
1 899 . 1 1 A 75 75 SER N N 75 116.340 118.393 -2.053 2
1 900 . 1 1 A 76 76 GLY H H 76 8.205 8.385 -0.180 2
1 901 . 1 1 A 76 76 GLY HA2 H 76 4.118 4.120 -0.002 2
1 902 . 1 1 A 76 76 GLY HA3 H 76 4.118 4.121 -0.003 2
1 903 . 1 1 A 76 76 GLY C C 76 171.758 173.302 -1.544 2
1 904 . 1 1 A 76 76 GLY CA C 76 44.661 45.087 -0.425 2
1 905 . 1 1 A 76 76 GLY N N 76 110.555 110.932 -0.377 2
1 906 . 1 1 A 77 77 PRO HA H 77 4.450 4.528 -0.078 2
1 913 . 1 1 A 77 77 PRO C C 77 177.458 176.445 1.013 2
1 914 . 1 1 A 77 77 PRO CA C 77 63.249 63.368 -0.119 2
1 915 . 1 1 A 77 77 PRO CB C 77 32.180 32.024 0.156 2
1 918 . 1 1 A 78 78 SER H H 78 8.525 8.311 0.214 2
1 919 . 1 1 A 78 78 SER HA H 78 4.471 4.567 -0.096 2
1 922 . 1 1 A 78 78 SER C C 78 174.648 174.108 0.540 2
1 923 . 1 1 A 78 78 SER CA C 78 58.460 58.482 -0.022 2
1 924 . 1 1 A 78 78 SER CB C 78 63.885 64.127 -0.242 2
1 925 . 1 1 A 78 78 SER N N 78 116.381 115.675 0.706 2
1 926 . 1 1 A 79 79 SER H H 79 8.309 8.458 -0.149 2
1 927 . 1 1 A 79 79 SER HA H 79 4.457 4.506 -0.049 2
1 930 . 1 1 A 79 79 SER C C 79 173.925 174.542 -0.617 2
1 931 . 1 1 A 79 79 SER CA C 79 58.401 58.927 -0.526 2
1 932 . 1 1 A 79 79 SER CB C 79 64.132 63.483 0.649 2
1 933 . 1 1 A 79 79 SER N N 79 117.741 118.132 -0.392 2
stop_
save_